USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 914 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 Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.47 K(o=-0.47,f=-1.9!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -39:sc= 0.0585 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.295 F(o=-2,f=-0.3) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.0171 K(o=0.017,f=-2.4) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= 1.22 (180deg=1.12) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 41:sc= 0.0421 USER MOD Single : A 51 THR OG1 : rot -11:sc= 1.06 USER MOD Single : A 53 TYR OH : rot 30:sc= -0.329 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0124) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.00262 USER MOD Single : A 68 LYS NZ :NH3+ -133:sc= 0.793 (180deg=-0.0864) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 75 THR OG1 : rot 62:sc= 1.23 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 30:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc=-0.00185 X(o=-0.0019,f=-0.018) USER MOD Single : A 87 SER OG : rot 180:sc= -0.0547 USER MOD Single : A 97 ASN : amide:sc= -0.0449 K(o=-0.045,f=-1.1) USER MOD Single : A 100 LYS NZ :NH3+ -119:sc= 0.627 (180deg=-0.0586) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0.752 K(o=0.75,f=-0.59) USER MOD Single : A 118 SER OG : rot -36:sc= 0.333 USER MOD Single : A 119 SER OG : rot -48:sc= 0.00966 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.904 8.406 -8.979 1.00 0.00 N ATOM 60 CA GLY A 7 -2.108 9.623 -9.040 1.00 0.00 C ATOM 61 C GLY A 7 -0.712 9.378 -8.473 1.00 0.00 C ATOM 62 O GLY A 7 -0.396 8.265 -8.046 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.033 9.964 -10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.601 10.416 -8.478 1.00 0.00 H new ATOM 66 N SER A 8 0.116 10.423 -8.473 1.00 0.00 N ATOM 67 CA SER A 8 1.527 10.404 -8.099 1.00 0.00 C ATOM 68 C SER A 8 1.750 9.887 -6.673 1.00 0.00 C ATOM 69 O SER A 8 0.846 9.896 -5.843 1.00 0.00 O ATOM 70 CB SER A 8 2.062 11.837 -8.218 1.00 0.00 C ATOM 71 OG SER A 8 1.879 12.364 -9.523 1.00 0.00 O ATOM 0 H SER A 8 -0.198 11.354 -8.749 1.00 0.00 H new ATOM 0 HA SER A 8 2.055 9.722 -8.766 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.555 12.475 -7.494 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.123 11.851 -7.966 1.00 0.00 H new ATOM 0 HG SER A 8 2.230 13.278 -9.559 1.00 0.00 H new ATOM 77 N ALA A 9 2.985 9.531 -6.335 1.00 0.00 N ATOM 78 CA ALA A 9 3.316 8.933 -5.050 1.00 0.00 C ATOM 79 C ALA A 9 2.937 9.796 -3.847 1.00 0.00 C ATOM 80 O ALA A 9 2.247 9.327 -2.933 1.00 0.00 O ATOM 81 CB ALA A 9 4.792 8.562 -5.041 1.00 0.00 C ATOM 0 H ALA A 9 3.789 9.651 -6.951 1.00 0.00 H new ATOM 0 HA ALA A 9 2.709 8.034 -4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.048 8.113 -4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.993 7.849 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.393 9.458 -5.195 1.00 0.00 H new ATOM 87 N LYS A 10 3.331 11.076 -3.829 1.00 0.00 N ATOM 88 CA LYS A 10 2.892 11.945 -2.733 1.00 0.00 C ATOM 89 C LYS A 10 1.371 12.108 -2.722 1.00 0.00 C ATOM 90 O LYS A 10 0.829 12.427 -1.662 1.00 0.00 O ATOM 91 CB LYS A 10 3.525 13.344 -2.800 1.00 0.00 C ATOM 92 CG LYS A 10 4.954 13.419 -2.243 1.00 0.00 C ATOM 93 CD LYS A 10 5.120 14.570 -1.242 1.00 0.00 C ATOM 94 CE LYS A 10 4.531 14.272 0.145 1.00 0.00 C ATOM 95 NZ LYS A 10 4.533 15.478 1.001 1.00 0.00 N ATOM 0 H LYS A 10 3.927 11.518 -4.529 1.00 0.00 H new ATOM 0 HA LYS A 10 3.222 11.451 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.534 13.676 -3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.895 14.042 -2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.204 12.476 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.657 13.549 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.181 14.797 -1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.642 15.463 -1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.511 13.902 0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.108 13.482 0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.129 15.245 1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.509 15.816 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.962 16.223 0.553 1.00 0.00 H new ATOM 109 N ASN A 11 0.692 11.920 -3.863 1.00 0.00 N ATOM 110 CA ASN A 11 -0.757 12.029 -3.987 1.00 0.00 C ATOM 111 C ASN A 11 -1.502 10.883 -3.302 1.00 0.00 C ATOM 112 O ASN A 11 -2.717 10.992 -3.143 1.00 0.00 O ATOM 113 CB ASN A 11 -1.218 12.175 -5.447 1.00 0.00 C ATOM 114 CG ASN A 11 -2.679 12.577 -5.620 1.00 0.00 C ATOM 115 OD1 ASN A 11 -3.319 12.127 -6.560 1.00 0.00 O ATOM 116 ND2 ASN A 11 -3.223 13.464 -4.799 1.00 0.00 N ATOM 0 H ASN A 11 1.152 11.683 -4.742 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.017 12.948 -3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.591 12.919 -5.939 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.053 11.228 -5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.182 13.776 -4.949 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.682 13.834 -4.017 1.00 0.00 H new ATOM 123 N ALA A 12 -0.805 9.888 -2.743 1.00 0.00 N ATOM 124 CA ALA A 12 -1.391 8.950 -1.790 1.00 0.00 C ATOM 125 C ALA A 12 -0.956 9.283 -0.360 1.00 0.00 C ATOM 126 O ALA A 12 -1.811 9.550 0.486 1.00 0.00 O ATOM 127 CB ALA A 12 -0.974 7.532 -2.174 1.00 0.00 C ATOM 0 H ALA A 12 0.180 9.714 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.478 9.028 -1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.406 6.822 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.331 7.308 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.113 7.453 -2.149 1.00 0.00 H new ATOM 133 N TYR A 13 0.353 9.351 -0.091 1.00 0.00 N ATOM 134 CA TYR A 13 0.900 9.588 1.250 1.00 0.00 C ATOM 135 C TYR A 13 0.324 10.819 1.948 1.00 0.00 C ATOM 136 O TYR A 13 0.038 10.743 3.139 1.00 0.00 O ATOM 137 CB TYR A 13 2.412 9.744 1.155 1.00 0.00 C ATOM 138 CG TYR A 13 3.096 10.222 2.426 1.00 0.00 C ATOM 139 CD1 TYR A 13 3.394 9.336 3.484 1.00 0.00 C ATOM 140 CD2 TYR A 13 3.426 11.586 2.546 1.00 0.00 C ATOM 141 CE1 TYR A 13 4.102 9.811 4.606 1.00 0.00 C ATOM 142 CE2 TYR A 13 4.107 12.060 3.675 1.00 0.00 C ATOM 143 CZ TYR A 13 4.454 11.178 4.715 1.00 0.00 C ATOM 144 OH TYR A 13 5.107 11.650 5.816 1.00 0.00 O ATOM 0 H TYR A 13 1.071 9.242 -0.807 1.00 0.00 H new ATOM 0 HA TYR A 13 0.619 8.723 1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.843 8.784 0.869 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.639 10.447 0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.082 8.303 3.434 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.151 12.274 1.760 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.379 9.124 5.392 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.366 13.106 3.747 1.00 0.00 H new ATOM 0 HH TYR A 13 5.267 12.612 5.714 1.00 0.00 H new ATOM 154 N THR A 14 0.168 11.942 1.238 1.00 0.00 N ATOM 155 CA THR A 14 -0.344 13.170 1.835 1.00 0.00 C ATOM 156 C THR A 14 -1.630 12.896 2.627 1.00 0.00 C ATOM 157 O THR A 14 -1.695 13.226 3.815 1.00 0.00 O ATOM 158 CB THR A 14 -0.521 14.244 0.749 1.00 0.00 C ATOM 159 OG1 THR A 14 0.728 14.475 0.116 1.00 0.00 O ATOM 160 CG2 THR A 14 -1.079 15.538 1.329 1.00 0.00 C ATOM 0 H THR A 14 0.391 12.021 0.246 1.00 0.00 H new ATOM 0 HA THR A 14 0.378 13.556 2.554 1.00 0.00 H new ATOM 0 HB THR A 14 -1.242 13.885 0.015 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.827 13.865 -0.645 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.191 16.275 0.533 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.051 15.344 1.783 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.395 15.922 2.086 1.00 0.00 H new ATOM 168 N LYS A 15 -2.616 12.264 1.977 1.00 0.00 N ATOM 169 CA LYS A 15 -3.921 11.933 2.527 1.00 0.00 C ATOM 170 C LYS A 15 -3.786 11.174 3.834 1.00 0.00 C ATOM 171 O LYS A 15 -4.413 11.586 4.802 1.00 0.00 O ATOM 172 CB LYS A 15 -4.816 11.192 1.518 1.00 0.00 C ATOM 173 CG LYS A 15 -5.249 12.006 0.281 1.00 0.00 C ATOM 174 CD LYS A 15 -6.380 13.031 0.469 1.00 0.00 C ATOM 175 CE LYS A 15 -6.153 14.113 1.531 1.00 0.00 C ATOM 176 NZ LYS A 15 -7.313 15.022 1.652 1.00 0.00 N ATOM 0 H LYS A 15 -2.513 11.959 1.009 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.426 12.874 2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.287 10.302 1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.712 10.851 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.374 12.535 -0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.556 11.304 -0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.557 13.523 -0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.292 12.490 0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.960 13.641 2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.265 14.691 1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.118 15.738 2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.482 15.493 0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.156 14.475 1.921 1.00 0.00 H new ATOM 190 N LEU A 16 -2.937 10.144 3.909 1.00 0.00 N ATOM 191 CA LEU A 16 -2.751 9.366 5.131 1.00 0.00 C ATOM 192 C LEU A 16 -2.525 10.216 6.378 1.00 0.00 C ATOM 193 O LEU A 16 -2.887 9.775 7.465 1.00 0.00 O ATOM 194 CB LEU A 16 -1.578 8.393 5.004 1.00 0.00 C ATOM 195 CG LEU A 16 -1.943 6.992 4.539 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.521 6.938 3.128 1.00 0.00 C ATOM 197 CD2 LEU A 16 -0.652 6.172 4.594 1.00 0.00 C ATOM 0 H LEU A 16 -2.363 9.830 3.126 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.690 8.826 5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.853 8.812 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.082 8.319 5.972 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.727 6.602 5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.756 5.905 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.430 7.538 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.791 7.332 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.855 5.152 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.092 6.621 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.273 6.159 5.616 1.00 0.00 H new ATOM 209 N GLY A 17 -1.914 11.394 6.254 1.00 0.00 N ATOM 210 CA GLY A 17 -1.614 12.227 7.407 1.00 0.00 C ATOM 211 C GLY A 17 -2.575 13.392 7.626 1.00 0.00 C ATOM 212 O GLY A 17 -2.286 14.246 8.461 1.00 0.00 O ATOM 0 H GLY A 17 -1.618 11.790 5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.616 11.601 8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.605 12.623 7.298 1.00 0.00 H new ATOM 216 N THR A 18 -3.669 13.487 6.883 1.00 0.00 N ATOM 217 CA THR A 18 -4.651 14.583 6.939 1.00 0.00 C ATOM 218 C THR A 18 -6.084 14.034 6.932 1.00 0.00 C ATOM 219 O THR A 18 -7.067 14.775 6.921 1.00 0.00 O ATOM 220 CB THR A 18 -4.334 15.532 5.777 1.00 0.00 C ATOM 221 OG1 THR A 18 -5.053 16.745 5.795 1.00 0.00 O ATOM 222 CG2 THR A 18 -4.554 14.902 4.411 1.00 0.00 C ATOM 0 H THR A 18 -3.915 12.777 6.193 1.00 0.00 H new ATOM 0 HA THR A 18 -4.581 15.145 7.870 1.00 0.00 H new ATOM 0 HB THR A 18 -3.277 15.745 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.972 16.576 6.091 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.312 15.626 3.633 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.912 14.028 4.306 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.597 14.600 4.313 1.00 0.00 H new ATOM 230 N ASP A 19 -6.173 12.715 6.933 1.00 0.00 N ATOM 231 CA ASP A 19 -7.368 11.905 6.943 1.00 0.00 C ATOM 232 C ASP A 19 -7.094 10.818 7.970 1.00 0.00 C ATOM 233 O ASP A 19 -6.518 9.784 7.640 1.00 0.00 O ATOM 234 CB ASP A 19 -7.600 11.283 5.559 1.00 0.00 C ATOM 235 CG ASP A 19 -8.163 12.239 4.510 1.00 0.00 C ATOM 236 OD1 ASP A 19 -9.080 13.031 4.822 1.00 0.00 O ATOM 237 OD2 ASP A 19 -7.775 12.132 3.323 1.00 0.00 O ATOM 0 H ASP A 19 -5.332 12.137 6.926 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.258 12.486 7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.654 10.882 5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.283 10.440 5.665 1.00 0.00 H new ATOM 242 N ASP A 20 -7.491 11.016 9.222 1.00 0.00 N ATOM 243 CA ASP A 20 -7.349 10.029 10.300 1.00 0.00 C ATOM 244 C ASP A 20 -8.060 8.703 9.973 1.00 0.00 C ATOM 245 O ASP A 20 -7.763 7.673 10.580 1.00 0.00 O ATOM 246 CB ASP A 20 -7.895 10.611 11.618 1.00 0.00 C ATOM 247 CG ASP A 20 -6.873 11.484 12.351 1.00 0.00 C ATOM 248 OD1 ASP A 20 -6.570 12.603 11.876 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.381 11.052 13.415 1.00 0.00 O ATOM 0 H ASP A 20 -7.931 11.884 9.528 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.287 9.809 10.406 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.786 11.202 11.407 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.202 9.794 12.271 1.00 0.00 H new ATOM 254 N ASN A 21 -8.985 8.696 9.008 1.00 0.00 N ATOM 255 CA ASN A 21 -9.660 7.499 8.499 1.00 0.00 C ATOM 256 C ASN A 21 -8.789 6.697 7.525 1.00 0.00 C ATOM 257 O ASN A 21 -9.135 5.566 7.195 1.00 0.00 O ATOM 258 CB ASN A 21 -10.957 7.903 7.772 1.00 0.00 C ATOM 259 CG ASN A 21 -12.133 8.042 8.718 1.00 0.00 C ATOM 260 OD1 ASN A 21 -12.806 7.069 9.032 1.00 0.00 O ATOM 261 ND2 ASN A 21 -12.393 9.234 9.211 1.00 0.00 N ATOM 0 H ASN A 21 -9.294 9.551 8.545 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.872 6.868 9.362 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.799 8.848 7.252 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.192 7.157 7.013 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.165 9.358 9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.822 10.034 8.939 1.00 0.00 H new ATOM 268 N ALA A 22 -7.720 7.274 6.977 1.00 0.00 N ATOM 269 CA ALA A 22 -6.987 6.664 5.878 1.00 0.00 C ATOM 270 C ALA A 22 -6.092 5.513 6.358 1.00 0.00 C ATOM 271 O ALA A 22 -5.703 5.443 7.528 1.00 0.00 O ATOM 272 CB ALA A 22 -6.182 7.744 5.163 1.00 0.00 C ATOM 0 H ALA A 22 -7.343 8.171 7.283 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.696 6.223 5.178 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.628 7.298 4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.859 8.506 4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.483 8.201 5.864 1.00 0.00 H new ATOM 278 N GLN A 23 -5.722 4.609 5.448 1.00 0.00 N ATOM 279 CA GLN A 23 -4.923 3.409 5.705 1.00 0.00 C ATOM 280 C GLN A 23 -4.060 3.068 4.486 1.00 0.00 C ATOM 281 O GLN A 23 -4.232 3.641 3.409 1.00 0.00 O ATOM 282 CB GLN A 23 -5.859 2.224 5.982 1.00 0.00 C ATOM 283 CG GLN A 23 -6.483 2.190 7.387 1.00 0.00 C ATOM 284 CD GLN A 23 -5.568 1.840 8.554 1.00 0.00 C ATOM 285 OE1 GLN A 23 -5.683 2.536 9.673 1.00 0.00 O flip ATOM 286 NE2 GLN A 23 -4.771 0.905 8.494 1.00 0.00 N flip ATOM 0 H GLN A 23 -5.984 4.698 4.466 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.280 3.599 6.564 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.663 2.238 5.246 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.302 1.300 5.828 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.921 3.168 7.584 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.302 1.471 7.374 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.680 0.367 7.632 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.201 0.668 9.306 1.00 0.00 H new ATOM 295 N LEU A 24 -3.186 2.068 4.633 1.00 0.00 N ATOM 296 CA LEU A 24 -2.269 1.586 3.615 1.00 0.00 C ATOM 297 C LEU A 24 -2.364 0.060 3.542 1.00 0.00 C ATOM 298 O LEU A 24 -2.283 -0.614 4.572 1.00 0.00 O ATOM 299 CB LEU A 24 -0.867 2.061 4.029 1.00 0.00 C ATOM 300 CG LEU A 24 0.204 2.157 2.935 1.00 0.00 C ATOM 301 CD1 LEU A 24 0.402 0.897 2.087 1.00 0.00 C ATOM 302 CD2 LEU A 24 -0.108 3.343 2.029 1.00 0.00 C ATOM 0 H LEU A 24 -3.100 1.553 5.509 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.504 1.969 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.968 3.045 4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.498 1.386 4.801 1.00 0.00 H new ATOM 0 HG LEU A 24 1.147 2.288 3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.181 1.076 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.696 0.068 2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.531 0.649 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.651 3.415 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.087 3.203 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.111 4.260 2.618 1.00 0.00 H new ATOM 314 N LEU A 25 -2.544 -0.469 2.327 1.00 0.00 N ATOM 315 CA LEU A 25 -2.505 -1.904 2.031 1.00 0.00 C ATOM 316 C LEU A 25 -1.338 -2.185 1.090 1.00 0.00 C ATOM 317 O LEU A 25 -1.411 -1.951 -0.117 1.00 0.00 O ATOM 318 CB LEU A 25 -3.853 -2.431 1.478 1.00 0.00 C ATOM 319 CG LEU A 25 -4.298 -3.806 2.008 1.00 0.00 C ATOM 320 CD1 LEU A 25 -3.454 -4.919 1.386 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.273 -3.947 3.520 1.00 0.00 C ATOM 0 H LEU A 25 -2.725 0.103 1.502 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.347 -2.451 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.630 -1.703 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.783 -2.486 0.392 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.343 -3.894 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.783 -5.884 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.572 -4.903 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.405 -4.765 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.602 -4.948 3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.258 -3.785 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.940 -3.209 3.965 1.00 0.00 H new ATOM 333 N ASP A 26 -0.228 -2.639 1.651 1.00 0.00 N ATOM 334 CA ASP A 26 0.973 -3.036 0.959 1.00 0.00 C ATOM 335 C ASP A 26 0.727 -4.405 0.303 1.00 0.00 C ATOM 336 O ASP A 26 0.780 -5.451 0.958 1.00 0.00 O ATOM 337 CB ASP A 26 2.200 -3.027 1.903 1.00 0.00 C ATOM 338 CG ASP A 26 2.020 -3.203 3.413 1.00 0.00 C ATOM 339 OD1 ASP A 26 1.149 -2.534 3.993 1.00 0.00 O ATOM 340 OD2 ASP A 26 2.800 -3.956 4.044 1.00 0.00 O ATOM 0 H ASP A 26 -0.144 -2.744 2.662 1.00 0.00 H new ATOM 0 HA ASP A 26 1.210 -2.316 0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.872 -3.816 1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.718 -2.080 1.749 1.00 0.00 H new ATOM 345 N ILE A 27 0.441 -4.399 -1.005 1.00 0.00 N ATOM 346 CA ILE A 27 0.209 -5.608 -1.811 1.00 0.00 C ATOM 347 C ILE A 27 1.501 -6.198 -2.388 1.00 0.00 C ATOM 348 O ILE A 27 1.439 -7.017 -3.312 1.00 0.00 O ATOM 349 CB ILE A 27 -0.874 -5.386 -2.893 1.00 0.00 C ATOM 350 CG1 ILE A 27 -0.480 -4.315 -3.933 1.00 0.00 C ATOM 351 CG2 ILE A 27 -2.229 -5.108 -2.220 1.00 0.00 C ATOM 352 CD1 ILE A 27 -1.326 -4.396 -5.212 1.00 0.00 C ATOM 0 H ILE A 27 0.362 -3.537 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.181 -6.361 -1.126 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.967 -6.303 -3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.591 -3.325 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.573 -4.433 -4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.990 -4.952 -2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.508 -5.959 -1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.151 -4.216 -1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.007 -3.621 -5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.195 -5.375 -5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.377 -4.250 -4.963 1.00 0.00 H new ATOM 364 N ARG A 28 2.666 -5.755 -1.915 1.00 0.00 N ATOM 365 CA ARG A 28 3.951 -6.251 -2.398 1.00 0.00 C ATOM 366 C ARG A 28 4.203 -7.650 -1.837 1.00 0.00 C ATOM 367 O ARG A 28 3.571 -8.051 -0.857 1.00 0.00 O ATOM 368 CB ARG A 28 5.084 -5.285 -2.030 1.00 0.00 C ATOM 369 CG ARG A 28 4.724 -3.869 -2.502 1.00 0.00 C ATOM 370 CD ARG A 28 5.887 -2.881 -2.494 1.00 0.00 C ATOM 371 NE ARG A 28 6.508 -2.843 -1.182 1.00 0.00 N ATOM 372 CZ ARG A 28 7.595 -2.162 -0.839 1.00 0.00 C ATOM 373 NH1 ARG A 28 8.166 -1.301 -1.665 1.00 0.00 N ATOM 374 NH2 ARG A 28 8.044 -2.394 0.376 1.00 0.00 N ATOM 0 H ARG A 28 2.744 -5.044 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 28 3.924 -6.314 -3.486 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.245 -5.290 -0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.016 -5.608 -2.493 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.322 -3.929 -3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.929 -3.479 -1.866 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.623 -3.170 -3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.530 -1.887 -2.764 1.00 0.00 H new ATOM 0 HE ARG A 28 6.064 -3.396 -0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.772 -1.146 -2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.001 -0.792 -1.374 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.561 -3.059 0.980 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.875 -1.909 0.714 1.00 0.00 H new ATOM 388 N ALA A 29 5.104 -8.399 -2.470 1.00 0.00 N ATOM 389 CA ALA A 29 5.379 -9.788 -2.134 1.00 0.00 C ATOM 390 C ALA A 29 5.994 -9.897 -0.747 1.00 0.00 C ATOM 391 O ALA A 29 6.608 -8.956 -0.254 1.00 0.00 O ATOM 392 CB ALA A 29 6.284 -10.400 -3.202 1.00 0.00 C ATOM 0 H ALA A 29 5.671 -8.049 -3.243 1.00 0.00 H new ATOM 0 HA ALA A 29 4.443 -10.347 -2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.491 -11.440 -2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.787 -10.352 -4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.221 -9.845 -3.247 1.00 0.00 H new ATOM 398 N THR A 30 5.898 -11.062 -0.110 1.00 0.00 N ATOM 399 CA THR A 30 6.452 -11.217 1.228 1.00 0.00 C ATOM 400 C THR A 30 7.981 -11.003 1.228 1.00 0.00 C ATOM 401 O THR A 30 8.509 -10.455 2.203 1.00 0.00 O ATOM 402 CB THR A 30 5.997 -12.550 1.835 1.00 0.00 C ATOM 403 OG1 THR A 30 4.580 -12.667 1.728 1.00 0.00 O ATOM 404 CG2 THR A 30 6.367 -12.614 3.319 1.00 0.00 C ATOM 0 H THR A 30 5.451 -11.896 -0.491 1.00 0.00 H new ATOM 0 HA THR A 30 6.061 -10.437 1.881 1.00 0.00 H new ATOM 0 HB THR A 30 6.491 -13.358 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.292 -13.520 2.115 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.037 -13.566 3.735 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.448 -12.525 3.429 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.880 -11.797 3.851 1.00 0.00 H new ATOM 412 N ALA A 31 8.652 -11.344 0.117 1.00 0.00 N ATOM 413 CA ALA A 31 10.079 -11.131 -0.097 1.00 0.00 C ATOM 414 C ALA A 31 10.460 -9.656 -0.133 1.00 0.00 C ATOM 415 O ALA A 31 11.560 -9.287 0.268 1.00 0.00 O ATOM 416 CB ALA A 31 10.498 -11.745 -1.437 1.00 0.00 C ATOM 0 H ALA A 31 8.195 -11.790 -0.679 1.00 0.00 H new ATOM 0 HA ALA A 31 10.588 -11.602 0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.565 -11.584 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.290 -12.815 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.938 -11.273 -2.244 1.00 0.00 H new ATOM 422 N ASP A 32 9.583 -8.806 -0.660 1.00 0.00 N ATOM 423 CA ASP A 32 9.853 -7.381 -0.792 1.00 0.00 C ATOM 424 C ASP A 32 10.119 -6.781 0.586 1.00 0.00 C ATOM 425 O ASP A 32 11.118 -6.089 0.768 1.00 0.00 O ATOM 426 CB ASP A 32 8.715 -6.696 -1.545 1.00 0.00 C ATOM 427 CG ASP A 32 8.521 -5.263 -1.104 1.00 0.00 C ATOM 428 OD1 ASP A 32 7.862 -5.056 -0.056 1.00 0.00 O ATOM 429 OD2 ASP A 32 8.964 -4.367 -1.840 1.00 0.00 O ATOM 0 H ASP A 32 8.666 -9.087 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 32 10.752 -7.218 -1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.923 -6.720 -2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.791 -7.252 -1.387 1.00 0.00 H new ATOM 434 N PHE A 33 9.350 -7.150 1.616 1.00 0.00 N ATOM 435 CA PHE A 33 9.594 -6.590 2.943 1.00 0.00 C ATOM 436 C PHE A 33 10.893 -7.137 3.567 1.00 0.00 C ATOM 437 O PHE A 33 11.233 -6.733 4.680 1.00 0.00 O ATOM 438 CB PHE A 33 8.406 -6.859 3.863 1.00 0.00 C ATOM 439 CG PHE A 33 7.045 -6.624 3.236 1.00 0.00 C ATOM 440 CD1 PHE A 33 6.515 -5.329 3.158 1.00 0.00 C ATOM 441 CD2 PHE A 33 6.325 -7.695 2.683 1.00 0.00 C ATOM 442 CE1 PHE A 33 5.248 -5.120 2.595 1.00 0.00 C ATOM 443 CE2 PHE A 33 5.071 -7.484 2.087 1.00 0.00 C ATOM 444 CZ PHE A 33 4.522 -6.195 2.058 1.00 0.00 C ATOM 0 H PHE A 33 8.577 -7.813 1.559 1.00 0.00 H new ATOM 0 HA PHE A 33 9.715 -5.513 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.458 -7.892 4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.498 -6.225 4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.084 -4.490 3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.740 -8.692 2.716 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.828 -4.125 2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.531 -8.313 1.652 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.546 -6.030 1.625 1.00 0.00 H new ATOM 454 N ARG A 34 11.590 -8.079 2.911 1.00 0.00 N ATOM 455 CA ARG A 34 12.899 -8.586 3.317 1.00 0.00 C ATOM 456 C ARG A 34 14.005 -7.787 2.642 1.00 0.00 C ATOM 457 O ARG A 34 14.993 -7.475 3.304 1.00 0.00 O ATOM 458 CB ARG A 34 13.085 -10.071 2.939 1.00 0.00 C ATOM 459 CG ARG A 34 11.913 -11.013 3.233 1.00 0.00 C ATOM 460 CD ARG A 34 11.394 -10.900 4.660 1.00 0.00 C ATOM 461 NE ARG A 34 10.397 -11.934 4.938 1.00 0.00 N ATOM 462 CZ ARG A 34 9.551 -11.948 5.966 1.00 0.00 C ATOM 463 NH1 ARG A 34 9.654 -11.037 6.928 1.00 0.00 N ATOM 464 NH2 ARG A 34 8.595 -12.866 6.011 1.00 0.00 N ATOM 0 H ARG A 34 11.242 -8.518 2.059 1.00 0.00 H new ATOM 0 HA ARG A 34 12.954 -8.485 4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.304 -10.125 1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.963 -10.447 3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.100 -10.798 2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.226 -12.040 3.048 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.224 -10.992 5.361 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.954 -9.915 4.814 1.00 0.00 H new ATOM 0 HE ARG A 34 10.345 -12.716 4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.382 -10.325 6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.005 -11.050 7.714 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.512 -13.554 5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.942 -12.885 6.795 1.00 0.00 H new ATOM 478 N GLN A 35 13.876 -7.529 1.338 1.00 0.00 N ATOM 479 CA GLN A 35 14.949 -6.981 0.506 1.00 0.00 C ATOM 480 C GLN A 35 14.819 -5.464 0.317 1.00 0.00 C ATOM 481 O GLN A 35 15.825 -4.789 0.126 1.00 0.00 O ATOM 482 CB GLN A 35 14.987 -7.746 -0.834 1.00 0.00 C ATOM 483 CG GLN A 35 13.784 -7.459 -1.745 1.00 0.00 C ATOM 484 CD GLN A 35 13.624 -8.401 -2.937 1.00 0.00 C ATOM 485 OE1 GLN A 35 13.966 -9.582 -2.913 1.00 0.00 O ATOM 486 NE2 GLN A 35 13.028 -7.924 -4.012 1.00 0.00 N ATOM 0 H GLN A 35 13.011 -7.697 0.824 1.00 0.00 H new ATOM 0 HA GLN A 35 15.902 -7.124 1.015 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.903 -7.486 -1.364 1.00 0.00 H new ATOM 0 HB3 GLN A 35 15.030 -8.816 -0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.876 -7.504 -1.144 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.868 -6.439 -2.119 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.740 -6.946 -4.044 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.855 -8.533 -4.812 1.00 0.00 H new ATOM 495 N VAL A 36 13.601 -4.929 0.412 1.00 0.00 N ATOM 496 CA VAL A 36 13.252 -3.516 0.253 1.00 0.00 C ATOM 497 C VAL A 36 12.880 -2.908 1.619 1.00 0.00 C ATOM 498 O VAL A 36 13.232 -1.765 1.928 1.00 0.00 O ATOM 499 CB VAL A 36 12.089 -3.364 -0.761 1.00 0.00 C ATOM 500 CG1 VAL A 36 11.993 -1.913 -1.241 1.00 0.00 C ATOM 501 CG2 VAL A 36 12.217 -4.238 -2.015 1.00 0.00 C ATOM 0 H VAL A 36 12.783 -5.504 0.614 1.00 0.00 H new ATOM 0 HA VAL A 36 14.114 -2.975 -0.137 1.00 0.00 H new ATOM 0 HB VAL A 36 11.203 -3.685 -0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.173 -1.819 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.811 -1.259 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.927 -1.627 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.360 -4.067 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.134 -3.981 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.248 -5.288 -1.725 1.00 0.00 H new ATOM 511 N GLY A 37 12.224 -3.682 2.490 1.00 0.00 N ATOM 512 CA GLY A 37 11.595 -3.168 3.705 1.00 0.00 C ATOM 513 C GLY A 37 10.299 -2.442 3.368 1.00 0.00 C ATOM 514 O GLY A 37 9.968 -2.340 2.195 1.00 0.00 O ATOM 0 H GLY A 37 12.115 -4.689 2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.391 -3.990 4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.277 -2.488 4.215 1.00 0.00 H new ATOM 518 N SER A 38 9.574 -1.936 4.362 1.00 0.00 N ATOM 519 CA SER A 38 8.218 -1.399 4.196 1.00 0.00 C ATOM 520 C SER A 38 8.186 0.129 4.408 1.00 0.00 C ATOM 521 O SER A 38 9.096 0.651 5.052 1.00 0.00 O ATOM 522 CB SER A 38 7.266 -2.119 5.173 1.00 0.00 C ATOM 523 OG SER A 38 7.730 -3.394 5.607 1.00 0.00 O ATOM 0 H SER A 38 9.914 -1.885 5.322 1.00 0.00 H new ATOM 0 HA SER A 38 7.887 -1.581 3.174 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.111 -1.485 6.046 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.295 -2.242 4.693 1.00 0.00 H new ATOM 0 HG SER A 38 7.077 -3.787 6.223 1.00 0.00 H new ATOM 529 N PRO A 39 7.146 0.858 3.960 1.00 0.00 N ATOM 530 CA PRO A 39 6.986 2.292 4.199 1.00 0.00 C ATOM 531 C PRO A 39 6.752 2.585 5.683 1.00 0.00 C ATOM 532 O PRO A 39 6.071 1.816 6.367 1.00 0.00 O ATOM 533 CB PRO A 39 5.776 2.708 3.352 1.00 0.00 C ATOM 534 CG PRO A 39 4.951 1.427 3.224 1.00 0.00 C ATOM 535 CD PRO A 39 6.028 0.353 3.185 1.00 0.00 C ATOM 0 HA PRO A 39 7.882 2.850 3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.206 3.502 3.834 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.083 3.083 2.376 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.273 1.293 4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.341 1.424 2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.657 -0.583 3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.331 0.145 2.159 1.00 0.00 H new ATOM 543 N ASN A 40 7.284 3.701 6.202 1.00 0.00 N ATOM 544 CA ASN A 40 7.052 4.097 7.594 1.00 0.00 C ATOM 545 C ASN A 40 5.910 5.092 7.652 1.00 0.00 C ATOM 546 O ASN A 40 6.123 6.301 7.586 1.00 0.00 O ATOM 547 CB ASN A 40 8.301 4.644 8.310 1.00 0.00 C ATOM 548 CG ASN A 40 7.951 5.150 9.709 1.00 0.00 C ATOM 549 OD1 ASN A 40 7.005 4.677 10.337 1.00 0.00 O ATOM 550 ND2 ASN A 40 8.704 6.087 10.254 1.00 0.00 N ATOM 0 H ASN A 40 7.877 4.344 5.677 1.00 0.00 H new ATOM 0 HA ASN A 40 6.788 3.191 8.140 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.056 3.861 8.381 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.735 5.454 7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.502 6.420 11.197 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.488 6.479 9.732 1.00 0.00 H new ATOM 557 N ILE A 41 4.692 4.581 7.803 1.00 0.00 N ATOM 558 CA ILE A 41 3.516 5.408 8.056 1.00 0.00 C ATOM 559 C ILE A 41 3.111 5.393 9.537 1.00 0.00 C ATOM 560 O ILE A 41 2.054 5.915 9.880 1.00 0.00 O ATOM 561 CB ILE A 41 2.369 5.022 7.111 1.00 0.00 C ATOM 562 CG1 ILE A 41 1.866 3.571 7.292 1.00 0.00 C ATOM 563 CG2 ILE A 41 2.781 5.295 5.650 1.00 0.00 C ATOM 564 CD1 ILE A 41 0.338 3.566 7.423 1.00 0.00 C ATOM 0 H ILE A 41 4.492 3.582 7.753 1.00 0.00 H new ATOM 0 HA ILE A 41 3.773 6.444 7.836 1.00 0.00 H new ATOM 0 HB ILE A 41 1.519 5.651 7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.170 2.962 6.441 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.318 3.127 8.179 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.963 5.019 4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.007 6.354 5.528 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.664 4.705 5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.013 2.542 7.550 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.045 4.160 8.289 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.106 3.992 6.523 1.00 0.00 H new ATOM 576 N LYS A 42 3.916 4.799 10.428 1.00 0.00 N ATOM 577 CA LYS A 42 3.546 4.693 11.838 1.00 0.00 C ATOM 578 C LYS A 42 3.535 6.059 12.530 1.00 0.00 C ATOM 579 O LYS A 42 2.794 6.232 13.498 1.00 0.00 O ATOM 580 CB LYS A 42 4.423 3.632 12.532 1.00 0.00 C ATOM 581 CG LYS A 42 3.650 2.665 13.450 1.00 0.00 C ATOM 582 CD LYS A 42 2.937 3.271 14.666 1.00 0.00 C ATOM 583 CE LYS A 42 3.927 4.033 15.553 1.00 0.00 C ATOM 584 NZ LYS A 42 3.350 4.361 16.871 1.00 0.00 N ATOM 0 H LYS A 42 4.820 4.388 10.196 1.00 0.00 H new ATOM 0 HA LYS A 42 2.516 4.344 11.917 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.942 3.052 11.769 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.187 4.139 13.121 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.905 2.148 12.845 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.349 1.910 13.810 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.148 3.945 14.332 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.458 2.480 15.244 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.827 3.433 15.690 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.230 4.952 15.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.053 4.876 17.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.506 4.955 16.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.084 3.483 17.362 1.00 0.00 H new ATOM 598 N GLY A 43 4.244 7.059 12.002 1.00 0.00 N ATOM 599 CA GLY A 43 4.095 8.436 12.450 1.00 0.00 C ATOM 600 C GLY A 43 2.712 8.988 12.101 1.00 0.00 C ATOM 601 O GLY A 43 2.155 9.761 12.880 1.00 0.00 O ATOM 0 H GLY A 43 4.931 6.934 11.258 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.248 8.488 13.528 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.863 9.056 11.988 1.00 0.00 H new ATOM 605 N LEU A 44 2.127 8.546 10.980 1.00 0.00 N ATOM 606 CA LEU A 44 0.734 8.767 10.573 1.00 0.00 C ATOM 607 C LEU A 44 -0.218 7.822 11.332 1.00 0.00 C ATOM 608 O LEU A 44 -1.328 7.546 10.871 1.00 0.00 O ATOM 609 CB LEU A 44 0.525 8.612 9.045 1.00 0.00 C ATOM 610 CG LEU A 44 1.654 9.135 8.141 1.00 0.00 C ATOM 611 CD1 LEU A 44 1.387 8.766 6.680 1.00 0.00 C ATOM 612 CD2 LEU A 44 1.860 10.647 8.256 1.00 0.00 C ATOM 0 H LEU A 44 2.642 7.994 10.295 1.00 0.00 H new ATOM 0 HA LEU A 44 0.499 9.800 10.831 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.375 7.555 8.827 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.396 9.127 8.773 1.00 0.00 H new ATOM 0 HG LEU A 44 2.569 8.654 8.486 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.196 9.144 6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.330 7.682 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.444 9.209 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.670 10.955 7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.943 11.162 7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.115 10.902 9.285 1.00 0.00 H new ATOM 624 N GLY A 45 0.198 7.287 12.483 1.00 0.00 N ATOM 625 CA GLY A 45 -0.711 6.741 13.476 1.00 0.00 C ATOM 626 C GLY A 45 -0.764 5.224 13.534 1.00 0.00 C ATOM 627 O GLY A 45 -1.321 4.679 14.485 1.00 0.00 O ATOM 0 H GLY A 45 1.181 7.223 12.747 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.421 7.117 14.457 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.714 7.117 13.274 1.00 0.00 H new ATOM 631 N LYS A 46 -0.253 4.515 12.524 1.00 0.00 N ATOM 632 CA LYS A 46 -0.379 3.059 12.443 1.00 0.00 C ATOM 633 C LYS A 46 0.501 2.479 11.356 1.00 0.00 C ATOM 634 O LYS A 46 0.996 3.196 10.493 1.00 0.00 O ATOM 635 CB LYS A 46 -1.839 2.619 12.209 1.00 0.00 C ATOM 636 CG LYS A 46 -2.735 3.545 11.384 1.00 0.00 C ATOM 637 CD LYS A 46 -2.204 3.945 10.000 1.00 0.00 C ATOM 638 CE LYS A 46 -3.192 4.816 9.211 1.00 0.00 C ATOM 639 NZ LYS A 46 -3.501 6.091 9.889 1.00 0.00 N ATOM 0 H LYS A 46 0.256 4.931 11.745 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.049 2.672 13.407 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.822 1.645 11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.308 2.478 13.183 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.702 3.059 11.253 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.911 4.454 11.959 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.265 4.486 10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.983 3.045 9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.777 5.026 8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.116 4.259 9.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.988 6.728 9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.115 5.909 10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.618 6.536 10.211 1.00 0.00 H new ATOM 653 N LYS A 47 0.711 1.171 11.415 1.00 0.00 N ATOM 654 CA LYS A 47 1.480 0.463 10.406 1.00 0.00 C ATOM 655 C LYS A 47 0.629 0.300 9.146 1.00 0.00 C ATOM 656 O LYS A 47 -0.607 0.335 9.205 1.00 0.00 O ATOM 657 CB LYS A 47 1.947 -0.900 10.953 1.00 0.00 C ATOM 658 CG LYS A 47 3.351 -1.244 10.437 1.00 0.00 C ATOM 659 CD LYS A 47 4.483 -0.538 11.206 1.00 0.00 C ATOM 660 CE LYS A 47 5.308 -1.461 12.116 1.00 0.00 C ATOM 661 NZ LYS A 47 4.514 -2.199 13.124 1.00 0.00 N ATOM 0 H LYS A 47 0.354 0.575 12.161 1.00 0.00 H new ATOM 0 HA LYS A 47 2.371 1.036 10.149 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.951 -0.877 12.043 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.244 -1.677 10.653 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.498 -2.322 10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.417 -0.975 9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.152 -0.064 10.488 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.051 0.258 11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.842 -2.180 11.495 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.061 -0.864 12.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.146 -2.797 13.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.025 -1.522 13.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.813 -2.797 12.643 1.00 0.00 H new ATOM 675 N ALA A 48 1.290 0.090 8.014 1.00 0.00 N ATOM 676 CA ALA A 48 0.676 -0.434 6.809 1.00 0.00 C ATOM 677 C ALA A 48 0.434 -1.944 6.991 1.00 0.00 C ATOM 678 O ALA A 48 1.132 -2.586 7.794 1.00 0.00 O ATOM 679 CB ALA A 48 1.605 -0.113 5.637 1.00 0.00 C ATOM 0 H ALA A 48 2.286 0.284 7.910 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.294 0.020 6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.171 -0.495 4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.732 0.967 5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.575 -0.582 5.803 1.00 0.00 H new ATOM 685 N VAL A 49 -0.583 -2.483 6.320 1.00 0.00 N ATOM 686 CA VAL A 49 -1.003 -3.878 6.396 1.00 0.00 C ATOM 687 C VAL A 49 -0.527 -4.626 5.135 1.00 0.00 C ATOM 688 O VAL A 49 -1.059 -4.424 4.045 1.00 0.00 O ATOM 689 CB VAL A 49 -2.539 -3.935 6.537 1.00 0.00 C ATOM 690 CG1 VAL A 49 -3.048 -5.379 6.493 1.00 0.00 C ATOM 691 CG2 VAL A 49 -3.168 -3.290 7.784 1.00 0.00 C ATOM 0 H VAL A 49 -1.160 -1.935 5.682 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.558 -4.362 7.265 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.853 -3.334 5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.133 -5.386 6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.770 -5.834 5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.604 -5.947 7.311 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.251 -3.407 7.747 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.781 -3.776 8.680 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.918 -2.229 7.810 1.00 0.00 H new ATOM 701 N SER A 50 0.394 -5.577 5.291 1.00 0.00 N ATOM 702 CA SER A 50 0.883 -6.401 4.187 1.00 0.00 C ATOM 703 C SER A 50 -0.151 -7.471 3.799 1.00 0.00 C ATOM 704 O SER A 50 -0.561 -8.257 4.666 1.00 0.00 O ATOM 705 CB SER A 50 2.215 -7.042 4.600 1.00 0.00 C ATOM 706 OG SER A 50 2.187 -7.621 5.903 1.00 0.00 O ATOM 0 H SER A 50 0.823 -5.798 6.190 1.00 0.00 H new ATOM 0 HA SER A 50 1.041 -5.775 3.309 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.479 -7.811 3.875 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.000 -6.286 4.563 1.00 0.00 H new ATOM 0 HG SER A 50 1.332 -8.081 6.038 1.00 0.00 H new ATOM 712 N THR A 51 -0.535 -7.605 2.524 1.00 0.00 N ATOM 713 CA THR A 51 -1.213 -8.790 1.968 1.00 0.00 C ATOM 714 C THR A 51 -0.957 -8.828 0.463 1.00 0.00 C ATOM 715 O THR A 51 -1.504 -8.003 -0.263 1.00 0.00 O ATOM 716 CB THR A 51 -2.729 -8.759 2.249 1.00 0.00 C ATOM 717 OG1 THR A 51 -2.951 -8.738 3.645 1.00 0.00 O ATOM 718 CG2 THR A 51 -3.509 -9.950 1.672 1.00 0.00 C ATOM 0 H THR A 51 -0.380 -6.875 1.829 1.00 0.00 H new ATOM 0 HA THR A 51 -0.815 -9.685 2.445 1.00 0.00 H new ATOM 0 HB THR A 51 -3.096 -7.860 1.754 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.112 -8.933 4.113 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.566 -9.846 1.917 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.388 -9.974 0.589 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.127 -10.877 2.100 1.00 0.00 H new ATOM 726 N VAL A 52 -0.138 -9.762 -0.028 1.00 0.00 N ATOM 727 CA VAL A 52 0.193 -9.823 -1.448 1.00 0.00 C ATOM 728 C VAL A 52 -1.071 -10.117 -2.267 1.00 0.00 C ATOM 729 O VAL A 52 -1.798 -11.070 -1.958 1.00 0.00 O ATOM 730 CB VAL A 52 1.278 -10.876 -1.741 1.00 0.00 C ATOM 731 CG1 VAL A 52 2.006 -10.467 -3.025 1.00 0.00 C ATOM 732 CG2 VAL A 52 2.259 -11.142 -0.585 1.00 0.00 C ATOM 0 H VAL A 52 0.306 -10.484 0.539 1.00 0.00 H new ATOM 0 HA VAL A 52 0.596 -8.853 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 52 0.775 -11.835 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.781 -11.199 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.294 -10.424 -3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.463 -9.487 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.983 -11.898 -0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.781 -10.220 -0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.708 -11.498 0.285 1.00 0.00 H new ATOM 742 N TYR A 53 -1.346 -9.310 -3.293 1.00 0.00 N ATOM 743 CA TYR A 53 -2.456 -9.553 -4.206 1.00 0.00 C ATOM 744 C TYR A 53 -2.037 -10.542 -5.289 1.00 0.00 C ATOM 745 O TYR A 53 -0.945 -10.427 -5.857 1.00 0.00 O ATOM 746 CB TYR A 53 -2.931 -8.233 -4.826 1.00 0.00 C ATOM 747 CG TYR A 53 -4.110 -8.381 -5.778 1.00 0.00 C ATOM 748 CD1 TYR A 53 -5.332 -8.893 -5.313 1.00 0.00 C ATOM 749 CD2 TYR A 53 -4.007 -7.988 -7.123 1.00 0.00 C ATOM 750 CE1 TYR A 53 -6.449 -8.970 -6.157 1.00 0.00 C ATOM 751 CE2 TYR A 53 -5.107 -8.111 -7.997 1.00 0.00 C ATOM 752 CZ TYR A 53 -6.345 -8.590 -7.510 1.00 0.00 C ATOM 753 OH TYR A 53 -7.430 -8.745 -8.320 1.00 0.00 O ATOM 0 H TYR A 53 -0.805 -8.473 -3.511 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.286 -9.986 -3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.208 -7.547 -4.025 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.100 -7.776 -5.363 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.413 -9.232 -4.291 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.075 -7.587 -7.492 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.393 -9.322 -5.768 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.004 -7.840 -9.037 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.249 -8.653 -7.790 1.00 0.00 H new ATOM 763 N ASN A 54 -2.930 -11.476 -5.615 1.00 0.00 N ATOM 764 CA ASN A 54 -2.832 -12.281 -6.836 1.00 0.00 C ATOM 765 C ASN A 54 -3.930 -11.833 -7.788 1.00 0.00 C ATOM 766 O ASN A 54 -3.636 -11.193 -8.796 1.00 0.00 O ATOM 767 CB ASN A 54 -2.866 -13.795 -6.556 1.00 0.00 C ATOM 768 CG ASN A 54 -1.495 -14.329 -6.189 1.00 0.00 C ATOM 769 OD1 ASN A 54 -1.205 -14.591 -5.023 1.00 0.00 O ATOM 770 ND2 ASN A 54 -0.620 -14.479 -7.163 1.00 0.00 N ATOM 0 H ASN A 54 -3.743 -11.697 -5.041 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.861 -12.114 -7.302 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.565 -13.999 -5.745 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.237 -14.320 -7.436 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.319 -14.819 -6.957 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.882 -14.256 -8.123 1.00 0.00 H new ATOM 777 N GLY A 55 -5.182 -12.133 -7.445 1.00 0.00 N ATOM 778 CA GLY A 55 -6.373 -11.732 -8.182 1.00 0.00 C ATOM 779 C GLY A 55 -7.196 -12.908 -8.676 1.00 0.00 C ATOM 780 O GLY A 55 -8.314 -12.702 -9.141 1.00 0.00 O ATOM 0 H GLY A 55 -5.400 -12.683 -6.614 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.994 -11.106 -7.542 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.076 -11.121 -9.035 1.00 0.00 H new ATOM 784 N GLU A 56 -6.668 -14.125 -8.555 1.00 0.00 N ATOM 785 CA GLU A 56 -7.377 -15.370 -8.789 1.00 0.00 C ATOM 786 C GLU A 56 -8.576 -15.435 -7.838 1.00 0.00 C ATOM 787 O GLU A 56 -9.727 -15.227 -8.233 1.00 0.00 O ATOM 788 CB GLU A 56 -6.371 -16.514 -8.586 1.00 0.00 C ATOM 789 CG GLU A 56 -6.977 -17.872 -8.908 1.00 0.00 C ATOM 790 CD GLU A 56 -7.303 -18.048 -10.382 1.00 0.00 C ATOM 791 OE1 GLU A 56 -6.421 -17.815 -11.243 1.00 0.00 O ATOM 792 OE2 GLU A 56 -8.480 -18.352 -10.686 1.00 0.00 O ATOM 0 H GLU A 56 -5.696 -14.270 -8.280 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.776 -15.448 -9.800 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.500 -16.347 -9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.021 -16.509 -7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.283 -18.654 -8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.887 -18.004 -8.323 1.00 0.00 H new ATOM 799 N ASP A 57 -8.286 -15.716 -6.574 1.00 0.00 N ATOM 800 CA ASP A 57 -9.206 -15.903 -5.474 1.00 0.00 C ATOM 801 C ASP A 57 -9.508 -14.539 -4.854 1.00 0.00 C ATOM 802 O ASP A 57 -8.878 -14.113 -3.887 1.00 0.00 O ATOM 803 CB ASP A 57 -8.636 -16.946 -4.484 1.00 0.00 C ATOM 804 CG ASP A 57 -7.234 -16.689 -3.897 1.00 0.00 C ATOM 805 OD1 ASP A 57 -6.338 -16.119 -4.573 1.00 0.00 O ATOM 806 OD2 ASP A 57 -6.956 -17.201 -2.789 1.00 0.00 O ATOM 0 H ASP A 57 -7.318 -15.827 -6.273 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.158 -16.313 -5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.336 -17.036 -3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.616 -17.911 -4.990 1.00 0.00 H new ATOM 811 N LYS A 58 -10.480 -13.827 -5.433 1.00 0.00 N ATOM 812 CA LYS A 58 -10.990 -12.528 -4.977 1.00 0.00 C ATOM 813 C LYS A 58 -11.317 -12.548 -3.475 1.00 0.00 C ATOM 814 O LYS A 58 -10.668 -11.821 -2.716 1.00 0.00 O ATOM 815 CB LYS A 58 -12.149 -12.050 -5.874 1.00 0.00 C ATOM 816 CG LYS A 58 -11.713 -11.783 -7.324 1.00 0.00 C ATOM 817 CD LYS A 58 -11.220 -10.350 -7.567 1.00 0.00 C ATOM 818 CE LYS A 58 -10.588 -10.165 -8.957 1.00 0.00 C ATOM 819 NZ LYS A 58 -11.467 -10.603 -10.067 1.00 0.00 N ATOM 0 H LYS A 58 -10.956 -14.156 -6.273 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.205 -11.780 -5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.939 -12.802 -5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.574 -11.138 -5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.919 -12.481 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.552 -11.987 -7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.056 -9.660 -7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.489 -10.088 -6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.336 -9.114 -9.096 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.654 -10.725 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.996 -10.420 -10.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.660 -11.621 -9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.363 -10.076 -10.029 1.00 0.00 H new ATOM 833 N PRO A 59 -12.230 -13.413 -2.996 1.00 0.00 N ATOM 834 CA PRO A 59 -12.485 -13.543 -1.568 1.00 0.00 C ATOM 835 C PRO A 59 -11.249 -14.072 -0.826 1.00 0.00 C ATOM 836 O PRO A 59 -10.961 -13.622 0.283 1.00 0.00 O ATOM 837 CB PRO A 59 -13.685 -14.484 -1.469 1.00 0.00 C ATOM 838 CG PRO A 59 -13.596 -15.340 -2.730 1.00 0.00 C ATOM 839 CD PRO A 59 -13.075 -14.332 -3.746 1.00 0.00 C ATOM 0 HA PRO A 59 -12.699 -12.586 -1.093 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.638 -15.096 -0.568 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.623 -13.930 -1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.918 -16.184 -2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.565 -15.749 -3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.509 -14.828 -4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.897 -13.803 -4.228 1.00 0.00 H new ATOM 847 N GLY A 60 -10.479 -14.979 -1.441 1.00 0.00 N ATOM 848 CA GLY A 60 -9.245 -15.576 -0.925 1.00 0.00 C ATOM 849 C GLY A 60 -8.054 -14.624 -0.861 1.00 0.00 C ATOM 850 O GLY A 60 -6.897 -15.044 -0.901 1.00 0.00 O ATOM 0 H GLY A 60 -10.717 -15.335 -2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.436 -15.965 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.979 -16.427 -1.552 1.00 0.00 H new ATOM 854 N PHE A 61 -8.313 -13.337 -0.729 1.00 0.00 N ATOM 855 CA PHE A 61 -7.320 -12.296 -0.606 1.00 0.00 C ATOM 856 C PHE A 61 -7.841 -11.315 0.436 1.00 0.00 C ATOM 857 O PHE A 61 -7.222 -11.106 1.484 1.00 0.00 O ATOM 858 CB PHE A 61 -7.139 -11.664 -1.981 1.00 0.00 C ATOM 859 CG PHE A 61 -6.501 -10.299 -1.970 1.00 0.00 C ATOM 860 CD1 PHE A 61 -5.149 -10.147 -1.623 1.00 0.00 C ATOM 861 CD2 PHE A 61 -7.274 -9.175 -2.302 1.00 0.00 C ATOM 862 CE1 PHE A 61 -4.553 -8.879 -1.688 1.00 0.00 C ATOM 863 CE2 PHE A 61 -6.678 -7.908 -2.351 1.00 0.00 C ATOM 864 CZ PHE A 61 -5.303 -7.771 -2.109 1.00 0.00 C ATOM 0 H PHE A 61 -9.267 -12.976 -0.704 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.344 -12.658 -0.281 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.530 -12.329 -2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.114 -11.590 -2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.571 -11.003 -1.307 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.326 -9.287 -2.519 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.516 -8.756 -1.414 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.277 -7.037 -2.575 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.823 -6.814 -2.247 1.00 0.00 H new ATOM 874 N LEU A 62 -9.064 -10.830 0.197 1.00 0.00 N ATOM 875 CA LEU A 62 -9.848 -9.989 1.097 1.00 0.00 C ATOM 876 C LEU A 62 -9.961 -10.573 2.506 1.00 0.00 C ATOM 877 O LEU A 62 -10.146 -9.821 3.462 1.00 0.00 O ATOM 878 CB LEU A 62 -11.238 -9.771 0.495 1.00 0.00 C ATOM 879 CG LEU A 62 -11.196 -8.888 -0.766 1.00 0.00 C ATOM 880 CD1 LEU A 62 -12.488 -9.090 -1.539 1.00 0.00 C ATOM 881 CD2 LEU A 62 -11.029 -7.402 -0.420 1.00 0.00 C ATOM 0 H LEU A 62 -9.556 -11.026 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.328 -9.037 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.679 -10.736 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.885 -9.307 1.239 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.334 -9.181 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.476 -8.471 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.582 -10.138 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.334 -8.805 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.004 -6.815 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.866 -7.076 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.098 -7.258 0.128 1.00 0.00 H new ATOM 893 N LYS A 63 -9.778 -11.886 2.677 1.00 0.00 N ATOM 894 CA LYS A 63 -9.805 -12.532 3.970 1.00 0.00 C ATOM 895 C LYS A 63 -8.782 -11.959 4.929 1.00 0.00 C ATOM 896 O LYS A 63 -9.008 -12.042 6.136 1.00 0.00 O ATOM 897 CB LYS A 63 -9.791 -14.067 3.868 1.00 0.00 C ATOM 898 CG LYS A 63 -8.871 -14.734 2.838 1.00 0.00 C ATOM 899 CD LYS A 63 -7.397 -14.392 2.999 1.00 0.00 C ATOM 900 CE LYS A 63 -6.605 -15.214 1.969 1.00 0.00 C ATOM 901 NZ LYS A 63 -5.594 -16.129 2.525 1.00 0.00 N ATOM 0 H LYS A 63 -9.605 -12.529 1.904 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.769 -12.295 4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.526 -14.460 4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.810 -14.392 3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.991 -15.815 2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.192 -14.442 1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.234 -13.326 2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.060 -14.621 4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.310 -15.797 1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.109 -14.525 1.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.119 -16.634 1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.892 -15.584 3.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.056 -16.817 3.153 1.00 0.00 H new ATOM 915 N LYS A 64 -7.672 -11.367 4.464 1.00 0.00 N ATOM 916 CA LYS A 64 -6.731 -10.805 5.420 1.00 0.00 C ATOM 917 C LYS A 64 -7.196 -9.446 5.951 1.00 0.00 C ATOM 918 O LYS A 64 -6.695 -9.007 6.984 1.00 0.00 O ATOM 919 CB LYS A 64 -5.301 -10.747 4.855 1.00 0.00 C ATOM 920 CG LYS A 64 -4.691 -12.119 4.508 1.00 0.00 C ATOM 921 CD LYS A 64 -3.150 -12.197 4.593 1.00 0.00 C ATOM 922 CE LYS A 64 -2.589 -12.178 6.020 1.00 0.00 C ATOM 923 NZ LYS A 64 -1.121 -12.359 6.036 1.00 0.00 N ATOM 0 H LYS A 64 -7.419 -11.271 3.481 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.704 -11.483 6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.304 -10.128 3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.657 -10.251 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.114 -12.866 5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.997 -12.389 3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.817 -13.109 4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.726 -11.360 4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.844 -11.232 6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.059 -12.968 6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.780 -12.340 7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.879 -13.273 5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.671 -11.591 5.498 1.00 0.00 H new ATOM 937 N LEU A 65 -8.133 -8.770 5.283 1.00 0.00 N ATOM 938 CA LEU A 65 -8.602 -7.436 5.651 1.00 0.00 C ATOM 939 C LEU A 65 -9.696 -7.522 6.707 1.00 0.00 C ATOM 940 O LEU A 65 -9.746 -6.665 7.587 1.00 0.00 O ATOM 941 CB LEU A 65 -9.123 -6.662 4.427 1.00 0.00 C ATOM 942 CG LEU A 65 -8.011 -6.269 3.432 1.00 0.00 C ATOM 943 CD1 LEU A 65 -7.632 -7.445 2.535 1.00 0.00 C ATOM 944 CD2 LEU A 65 -8.446 -5.052 2.611 1.00 0.00 C ATOM 0 H LEU A 65 -8.595 -9.144 4.454 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.749 -6.895 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.864 -7.271 3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.632 -5.760 4.766 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.119 -5.998 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.846 -7.138 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.273 -8.270 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.506 -7.768 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.654 -4.783 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.353 -5.292 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.641 -4.213 3.279 1.00 0.00 H new ATOM 956 N SER A 66 -10.513 -8.577 6.698 1.00 0.00 N ATOM 957 CA SER A 66 -11.703 -8.687 7.541 1.00 0.00 C ATOM 958 C SER A 66 -11.424 -8.723 9.048 1.00 0.00 C ATOM 959 O SER A 66 -12.364 -8.665 9.842 1.00 0.00 O ATOM 960 CB SER A 66 -12.492 -9.930 7.117 1.00 0.00 C ATOM 961 OG SER A 66 -12.609 -10.003 5.704 1.00 0.00 O ATOM 0 H SER A 66 -10.364 -9.388 6.098 1.00 0.00 H new ATOM 0 HA SER A 66 -12.280 -7.775 7.385 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.995 -10.825 7.491 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.485 -9.905 7.567 1.00 0.00 H new ATOM 0 HG SER A 66 -13.115 -10.806 5.459 1.00 0.00 H new ATOM 967 N LEU A 67 -10.157 -8.803 9.452 1.00 0.00 N ATOM 968 CA LEU A 67 -9.681 -8.812 10.829 1.00 0.00 C ATOM 969 C LEU A 67 -8.634 -7.723 11.090 1.00 0.00 C ATOM 970 O LEU A 67 -7.957 -7.756 12.113 1.00 0.00 O ATOM 971 CB LEU A 67 -9.165 -10.215 11.192 1.00 0.00 C ATOM 972 CG LEU A 67 -7.895 -10.681 10.448 1.00 0.00 C ATOM 973 CD1 LEU A 67 -7.272 -11.866 11.180 1.00 0.00 C ATOM 974 CD2 LEU A 67 -8.172 -11.126 9.006 1.00 0.00 C ATOM 0 H LEU A 67 -9.390 -8.867 8.783 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.520 -8.575 11.483 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.965 -10.241 12.263 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.960 -10.935 10.998 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.226 -9.821 10.423 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.376 -12.191 10.651 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.006 -11.568 12.194 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.988 -12.687 11.219 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.240 -11.442 8.537 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.876 -11.958 9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.597 -10.295 8.444 1.00 0.00 H new ATOM 986 N LYS A 68 -8.450 -6.782 10.156 1.00 0.00 N ATOM 987 CA LYS A 68 -7.410 -5.763 10.243 1.00 0.00 C ATOM 988 C LYS A 68 -7.916 -4.378 10.579 1.00 0.00 C ATOM 989 O LYS A 68 -7.108 -3.585 11.068 1.00 0.00 O ATOM 990 CB LYS A 68 -6.621 -5.691 8.929 1.00 0.00 C ATOM 991 CG LYS A 68 -5.245 -6.315 9.051 1.00 0.00 C ATOM 992 CD LYS A 68 -5.192 -7.719 9.655 1.00 0.00 C ATOM 993 CE LYS A 68 -3.868 -8.332 9.217 1.00 0.00 C ATOM 994 NZ LYS A 68 -3.919 -8.840 7.830 1.00 0.00 N ATOM 0 H LYS A 68 -9.024 -6.710 9.316 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.774 -6.078 11.070 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.180 -6.199 8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.520 -4.649 8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.796 -6.352 8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.623 -5.657 9.658 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.258 -7.676 10.742 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.031 -8.322 9.308 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.079 -7.585 9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.607 -9.148 9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.510 -9.795 7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.908 -8.875 7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.375 -8.208 7.208 1.00 0.00 H new ATOM 1008 N PHE A 69 -9.156 -4.038 10.249 1.00 0.00 N ATOM 1009 CA PHE A 69 -9.588 -2.648 10.244 1.00 0.00 C ATOM 1010 C PHE A 69 -10.907 -2.562 10.989 1.00 0.00 C ATOM 1011 O PHE A 69 -11.762 -3.428 10.805 1.00 0.00 O ATOM 1012 CB PHE A 69 -9.706 -2.149 8.800 1.00 0.00 C ATOM 1013 CG PHE A 69 -8.527 -2.392 7.888 1.00 0.00 C ATOM 1014 CD1 PHE A 69 -7.510 -1.430 7.749 1.00 0.00 C ATOM 1015 CD2 PHE A 69 -8.527 -3.532 7.072 1.00 0.00 C ATOM 1016 CE1 PHE A 69 -6.565 -1.554 6.712 1.00 0.00 C ATOM 1017 CE2 PHE A 69 -7.574 -3.661 6.058 1.00 0.00 C ATOM 1018 CZ PHE A 69 -6.639 -2.644 5.827 1.00 0.00 C ATOM 0 H PHE A 69 -9.879 -4.706 9.982 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.862 -2.008 10.745 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.582 -2.617 8.351 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.896 -1.076 8.828 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.454 -0.598 8.436 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.262 -4.308 7.227 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.786 -0.814 6.597 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.558 -4.552 5.448 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.979 -2.697 4.974 1.00 0.00 H new ATOM 1028 N LYS A 70 -11.064 -1.577 11.872 1.00 0.00 N ATOM 1029 CA LYS A 70 -12.219 -1.475 12.739 1.00 0.00 C ATOM 1030 C LYS A 70 -13.406 -0.878 11.987 1.00 0.00 C ATOM 1031 O LYS A 70 -14.547 -1.167 12.337 1.00 0.00 O ATOM 1032 CB LYS A 70 -11.762 -0.628 13.937 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.843 -0.395 14.991 1.00 0.00 C ATOM 1034 CD LYS A 70 -13.305 1.066 15.004 1.00 0.00 C ATOM 1035 CE LYS A 70 -14.705 1.090 15.591 1.00 0.00 C ATOM 1036 NZ LYS A 70 -15.285 2.445 15.726 1.00 0.00 N ATOM 0 H LYS A 70 -10.385 -0.827 12.001 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.573 -2.446 13.086 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.910 -1.117 14.409 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.413 0.338 13.572 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.694 -1.046 14.791 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.459 -0.666 15.975 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.628 1.678 15.600 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.304 1.479 13.995 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.361 0.488 14.962 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.683 0.617 16.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.239 2.375 16.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.683 3.019 16.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.340 2.894 14.789 1.00 0.00 H new ATOM 1050 N ASP A 71 -13.160 -0.068 10.960 1.00 0.00 N ATOM 1051 CA ASP A 71 -14.185 0.760 10.329 1.00 0.00 C ATOM 1052 C ASP A 71 -14.004 0.785 8.821 1.00 0.00 C ATOM 1053 O ASP A 71 -13.687 1.833 8.255 1.00 0.00 O ATOM 1054 CB ASP A 71 -14.090 2.141 10.979 1.00 0.00 C ATOM 1055 CG ASP A 71 -15.225 3.105 10.679 1.00 0.00 C ATOM 1056 OD1 ASP A 71 -16.226 2.739 10.023 1.00 0.00 O ATOM 1057 OD2 ASP A 71 -15.165 4.205 11.277 1.00 0.00 O ATOM 0 H ASP A 71 -12.236 0.033 10.539 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.187 0.360 10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.031 2.007 12.059 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.155 2.604 10.663 1.00 0.00 H new ATOM 1062 N PRO A 72 -14.094 -0.373 8.144 1.00 0.00 N ATOM 1063 CA PRO A 72 -13.702 -0.451 6.750 1.00 0.00 C ATOM 1064 C PRO A 72 -14.655 0.375 5.897 1.00 0.00 C ATOM 1065 O PRO A 72 -14.194 1.049 4.980 1.00 0.00 O ATOM 1066 CB PRO A 72 -13.692 -1.932 6.398 1.00 0.00 C ATOM 1067 CG PRO A 72 -14.671 -2.547 7.377 1.00 0.00 C ATOM 1068 CD PRO A 72 -14.473 -1.694 8.636 1.00 0.00 C ATOM 0 HA PRO A 72 -12.713 -0.033 6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.001 -2.099 5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.696 -2.361 6.506 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.696 -2.495 7.010 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.451 -3.598 7.562 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.387 -1.647 9.228 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.698 -2.113 9.278 1.00 0.00 H new ATOM 1076 N GLU A 73 -15.943 0.424 6.243 1.00 0.00 N ATOM 1077 CA GLU A 73 -16.969 1.191 5.544 1.00 0.00 C ATOM 1078 C GLU A 73 -16.814 2.716 5.698 1.00 0.00 C ATOM 1079 O GLU A 73 -17.614 3.460 5.131 1.00 0.00 O ATOM 1080 CB GLU A 73 -18.363 0.697 5.967 1.00 0.00 C ATOM 1081 CG GLU A 73 -18.780 1.074 7.396 1.00 0.00 C ATOM 1082 CD GLU A 73 -20.257 0.747 7.618 1.00 0.00 C ATOM 1083 OE1 GLU A 73 -20.562 -0.430 7.937 1.00 0.00 O ATOM 1084 OE2 GLU A 73 -21.099 1.658 7.423 1.00 0.00 O ATOM 0 H GLU A 73 -16.310 -0.088 7.045 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.841 1.012 4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -19.100 1.098 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.392 -0.388 5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -18.168 0.532 8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -18.606 2.137 7.565 1.00 0.00 H new ATOM 1091 N ASN A 74 -15.789 3.210 6.413 1.00 0.00 N ATOM 1092 CA ASN A 74 -15.431 4.635 6.387 1.00 0.00 C ATOM 1093 C ASN A 74 -13.935 4.887 6.174 1.00 0.00 C ATOM 1094 O ASN A 74 -13.548 6.026 5.907 1.00 0.00 O ATOM 1095 CB ASN A 74 -15.879 5.350 7.675 1.00 0.00 C ATOM 1096 CG ASN A 74 -17.388 5.370 7.859 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -18.078 6.247 7.337 1.00 0.00 O ATOM 1098 ND2 ASN A 74 -17.937 4.431 8.606 1.00 0.00 N ATOM 0 H ASN A 74 -15.194 2.641 7.016 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.962 5.045 5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.422 4.857 8.533 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.508 6.375 7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.946 4.425 8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -17.353 3.711 9.032 1.00 0.00 H new ATOM 1105 N THR A 75 -13.094 3.865 6.281 1.00 0.00 N ATOM 1106 CA THR A 75 -11.653 3.945 6.112 1.00 0.00 C ATOM 1107 C THR A 75 -11.307 4.135 4.625 1.00 0.00 C ATOM 1108 O THR A 75 -11.710 3.307 3.808 1.00 0.00 O ATOM 1109 CB THR A 75 -11.090 2.633 6.688 1.00 0.00 C ATOM 1110 OG1 THR A 75 -11.191 2.645 8.099 1.00 0.00 O ATOM 1111 CG2 THR A 75 -9.635 2.327 6.323 1.00 0.00 C ATOM 0 H THR A 75 -13.413 2.921 6.497 1.00 0.00 H new ATOM 0 HA THR A 75 -11.216 4.799 6.630 1.00 0.00 H new ATOM 0 HB THR A 75 -11.697 1.851 6.233 1.00 0.00 H new ATOM 0 HG1 THR A 75 -12.134 2.711 8.359 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.337 1.383 6.778 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.539 2.254 5.240 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.992 3.126 6.691 1.00 0.00 H new ATOM 1119 N THR A 76 -10.521 5.137 4.231 1.00 0.00 N ATOM 1120 CA THR A 76 -10.046 5.248 2.845 1.00 0.00 C ATOM 1121 C THR A 76 -8.724 4.479 2.703 1.00 0.00 C ATOM 1122 O THR A 76 -7.724 4.845 3.320 1.00 0.00 O ATOM 1123 CB THR A 76 -9.912 6.721 2.435 1.00 0.00 C ATOM 1124 OG1 THR A 76 -11.097 7.429 2.759 1.00 0.00 O ATOM 1125 CG2 THR A 76 -9.698 6.813 0.923 1.00 0.00 C ATOM 0 H THR A 76 -10.199 5.883 4.847 1.00 0.00 H new ATOM 0 HA THR A 76 -10.773 4.802 2.166 1.00 0.00 H new ATOM 0 HB THR A 76 -9.065 7.154 2.968 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.000 8.368 2.495 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.603 7.859 0.632 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.789 6.277 0.651 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.549 6.369 0.407 1.00 0.00 H new ATOM 1133 N LEU A 77 -8.706 3.361 1.965 1.00 0.00 N ATOM 1134 CA LEU A 77 -7.495 2.557 1.796 1.00 0.00 C ATOM 1135 C LEU A 77 -6.720 3.037 0.571 1.00 0.00 C ATOM 1136 O LEU A 77 -7.320 3.348 -0.453 1.00 0.00 O ATOM 1137 CB LEU A 77 -7.837 1.061 1.625 1.00 0.00 C ATOM 1138 CG LEU A 77 -7.291 0.099 2.693 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -7.613 -1.344 2.284 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -5.783 0.268 2.874 1.00 0.00 C ATOM 0 H LEU A 77 -9.522 2.994 1.475 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.886 2.675 2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.922 0.961 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.465 0.736 0.653 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.768 0.330 3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.228 -2.030 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.693 -1.466 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.147 -1.562 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.428 -0.426 3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.278 0.061 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.566 1.290 3.185 1.00 0.00 H new ATOM 1152 N TYR A 78 -5.392 2.983 0.652 1.00 0.00 N ATOM 1153 CA TYR A 78 -4.475 3.399 -0.396 1.00 0.00 C ATOM 1154 C TYR A 78 -3.538 2.225 -0.689 1.00 0.00 C ATOM 1155 O TYR A 78 -2.571 2.012 0.051 1.00 0.00 O ATOM 1156 CB TYR A 78 -3.723 4.654 0.076 1.00 0.00 C ATOM 1157 CG TYR A 78 -4.557 5.919 0.163 1.00 0.00 C ATOM 1158 CD1 TYR A 78 -5.398 6.165 1.265 1.00 0.00 C ATOM 1159 CD2 TYR A 78 -4.509 6.852 -0.889 1.00 0.00 C ATOM 1160 CE1 TYR A 78 -6.228 7.300 1.284 1.00 0.00 C ATOM 1161 CE2 TYR A 78 -5.341 7.982 -0.883 1.00 0.00 C ATOM 1162 CZ TYR A 78 -6.232 8.193 0.187 1.00 0.00 C ATOM 1163 OH TYR A 78 -7.088 9.249 0.148 1.00 0.00 O ATOM 0 H TYR A 78 -4.912 2.635 1.482 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.994 3.660 -1.318 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.296 4.453 1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.890 4.834 -0.603 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.406 5.479 2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.825 6.697 -1.710 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.863 7.490 2.137 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.298 8.689 -1.698 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.279 9.549 1.061 1.00 0.00 H new ATOM 1173 N ILE A 79 -3.842 1.412 -1.706 1.00 0.00 N ATOM 1174 CA ILE A 79 -3.039 0.233 -2.041 1.00 0.00 C ATOM 1175 C ILE A 79 -1.693 0.655 -2.619 1.00 0.00 C ATOM 1176 O ILE A 79 -1.667 1.561 -3.451 1.00 0.00 O ATOM 1177 CB ILE A 79 -3.802 -0.650 -3.045 1.00 0.00 C ATOM 1178 CG1 ILE A 79 -5.046 -1.260 -2.364 1.00 0.00 C ATOM 1179 CG2 ILE A 79 -2.930 -1.789 -3.589 1.00 0.00 C ATOM 1180 CD1 ILE A 79 -6.306 -0.493 -2.740 1.00 0.00 C ATOM 0 H ILE A 79 -4.647 1.552 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.857 -0.342 -1.133 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.094 -0.013 -3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.150 -2.304 -2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.916 -1.245 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.509 -2.386 -4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.061 -1.371 -4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.600 -2.420 -2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.167 -0.944 -2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.208 0.545 -2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.446 -0.530 -3.820 1.00 0.00 H new ATOM 1192 N LEU A 80 -0.608 -0.035 -2.236 1.00 0.00 N ATOM 1193 CA LEU A 80 0.778 0.282 -2.589 1.00 0.00 C ATOM 1194 C LEU A 80 1.479 -0.973 -3.145 1.00 0.00 C ATOM 1195 O LEU A 80 1.763 -1.899 -2.378 1.00 0.00 O ATOM 1196 CB LEU A 80 1.484 0.846 -1.332 1.00 0.00 C ATOM 1197 CG LEU A 80 2.674 1.798 -1.584 1.00 0.00 C ATOM 1198 CD1 LEU A 80 3.547 1.980 -0.335 1.00 0.00 C ATOM 1199 CD2 LEU A 80 3.577 1.425 -2.750 1.00 0.00 C ATOM 0 H LEU A 80 -0.679 -0.864 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 80 0.818 1.037 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.744 1.375 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.838 0.007 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 80 2.181 2.733 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.370 2.657 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.945 2.398 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.947 1.014 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.379 2.158 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.005 0.438 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.995 1.412 -3.671 1.00 0.00 H new ATOM 1211 N ASP A 81 1.712 -1.046 -4.461 1.00 0.00 N ATOM 1212 CA ASP A 81 2.487 -2.112 -5.124 1.00 0.00 C ATOM 1213 C ASP A 81 3.988 -1.774 -5.191 1.00 0.00 C ATOM 1214 O ASP A 81 4.404 -0.671 -4.852 1.00 0.00 O ATOM 1215 CB ASP A 81 1.941 -2.350 -6.548 1.00 0.00 C ATOM 1216 CG ASP A 81 2.700 -3.470 -7.254 1.00 0.00 C ATOM 1217 OD1 ASP A 81 2.687 -4.589 -6.693 1.00 0.00 O ATOM 1218 OD2 ASP A 81 3.418 -3.183 -8.237 1.00 0.00 O ATOM 0 H ASP A 81 1.359 -0.348 -5.116 1.00 0.00 H new ATOM 0 HA ASP A 81 2.377 -3.019 -4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.882 -2.602 -6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.022 -1.431 -7.129 1.00 0.00 H new ATOM 1223 N LYS A 82 4.816 -2.731 -5.619 1.00 0.00 N ATOM 1224 CA LYS A 82 6.215 -2.569 -5.978 1.00 0.00 C ATOM 1225 C LYS A 82 6.365 -1.463 -7.003 1.00 0.00 C ATOM 1226 O LYS A 82 7.104 -0.530 -6.722 1.00 0.00 O ATOM 1227 CB LYS A 82 6.764 -3.921 -6.482 1.00 0.00 C ATOM 1228 CG LYS A 82 6.999 -4.871 -5.298 1.00 0.00 C ATOM 1229 CD LYS A 82 7.547 -6.248 -5.666 1.00 0.00 C ATOM 1230 CE LYS A 82 6.476 -7.251 -6.119 1.00 0.00 C ATOM 1231 NZ LYS A 82 6.651 -7.740 -7.505 1.00 0.00 N ATOM 0 H LYS A 82 4.502 -3.695 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 82 6.800 -2.273 -5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.060 -4.369 -7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.697 -3.764 -7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.692 -4.396 -4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.056 -5.003 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.282 -6.133 -6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.073 -6.659 -4.805 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.483 -8.104 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.496 -6.783 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.891 -8.411 -7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.614 -6.936 -8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.571 -8.217 -7.591 1.00 0.00 H new ATOM 1245 N PHE A 83 5.732 -1.549 -8.168 1.00 0.00 N ATOM 1246 CA PHE A 83 6.120 -0.712 -9.297 1.00 0.00 C ATOM 1247 C PHE A 83 4.921 -0.235 -10.099 1.00 0.00 C ATOM 1248 O PHE A 83 4.986 0.843 -10.688 1.00 0.00 O ATOM 1249 CB PHE A 83 7.035 -1.548 -10.197 1.00 0.00 C ATOM 1250 CG PHE A 83 7.829 -0.772 -11.226 1.00 0.00 C ATOM 1251 CD1 PHE A 83 9.097 -0.253 -10.908 1.00 0.00 C ATOM 1252 CD2 PHE A 83 7.317 -0.610 -12.526 1.00 0.00 C ATOM 1253 CE1 PHE A 83 9.847 0.425 -11.886 1.00 0.00 C ATOM 1254 CE2 PHE A 83 8.054 0.092 -13.493 1.00 0.00 C ATOM 1255 CZ PHE A 83 9.318 0.618 -13.174 1.00 0.00 C ATOM 0 H PHE A 83 4.955 -2.183 -8.354 1.00 0.00 H new ATOM 0 HA PHE A 83 6.625 0.177 -8.921 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.733 -2.097 -9.565 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.426 -2.288 -10.717 1.00 0.00 H new ATOM 0 HD1 PHE A 83 9.495 -0.375 -9.912 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.354 -1.027 -12.781 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.832 0.798 -11.647 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.649 0.228 -14.485 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.880 1.168 -13.915 1.00 0.00 H new ATOM 1265 N ASP A 84 3.875 -1.061 -10.199 1.00 0.00 N ATOM 1266 CA ASP A 84 2.738 -0.835 -11.084 1.00 0.00 C ATOM 1267 C ASP A 84 1.672 -1.892 -10.782 1.00 0.00 C ATOM 1268 O ASP A 84 0.573 -1.569 -10.320 1.00 0.00 O ATOM 1269 CB ASP A 84 3.201 -0.930 -12.546 1.00 0.00 C ATOM 1270 CG ASP A 84 2.154 -0.369 -13.491 1.00 0.00 C ATOM 1271 OD1 ASP A 84 2.136 0.875 -13.651 1.00 0.00 O ATOM 1272 OD2 ASP A 84 1.425 -1.164 -14.119 1.00 0.00 O ATOM 0 H ASP A 84 3.797 -1.920 -9.655 1.00 0.00 H new ATOM 0 HA ASP A 84 2.317 0.157 -10.923 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.136 -0.384 -12.670 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.403 -1.971 -12.799 1.00 0.00 H new ATOM 1277 N GLY A 85 2.064 -3.159 -10.965 1.00 0.00 N ATOM 1278 CA GLY A 85 1.414 -4.378 -10.517 1.00 0.00 C ATOM 1279 C GLY A 85 -0.068 -4.430 -10.837 1.00 0.00 C ATOM 1280 O GLY A 85 -0.456 -4.824 -11.936 1.00 0.00 O ATOM 0 H GLY A 85 2.922 -3.366 -11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.907 -5.233 -10.979 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.548 -4.476 -9.440 1.00 0.00 H new ATOM 1284 N ASN A 86 -0.885 -4.127 -9.829 1.00 0.00 N ATOM 1285 CA ASN A 86 -2.340 -4.265 -9.847 1.00 0.00 C ATOM 1286 C ASN A 86 -3.005 -3.245 -8.914 1.00 0.00 C ATOM 1287 O ASN A 86 -4.150 -3.467 -8.533 1.00 0.00 O ATOM 1288 CB ASN A 86 -2.750 -5.677 -9.377 1.00 0.00 C ATOM 1289 CG ASN A 86 -2.376 -6.851 -10.269 1.00 0.00 C ATOM 1290 OD1 ASN A 86 -1.884 -7.870 -9.782 1.00 0.00 O ATOM 1291 ND2 ASN A 86 -2.675 -6.800 -11.553 1.00 0.00 N ATOM 0 H ASN A 86 -0.537 -3.764 -8.942 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.668 -4.093 -10.872 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.307 -5.846 -8.395 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.832 -5.686 -9.245 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.499 -7.608 -12.150 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.082 -5.953 -11.949 1.00 0.00 H new ATOM 1298 N SER A 87 -2.316 -2.199 -8.436 1.00 0.00 N ATOM 1299 CA SER A 87 -2.854 -1.346 -7.373 1.00 0.00 C ATOM 1300 C SER A 87 -4.248 -0.812 -7.706 1.00 0.00 C ATOM 1301 O SER A 87 -5.100 -0.788 -6.823 1.00 0.00 O ATOM 1302 CB SER A 87 -1.912 -0.171 -7.097 1.00 0.00 C ATOM 1303 OG SER A 87 -0.606 -0.625 -6.817 1.00 0.00 O ATOM 0 H SER A 87 -1.391 -1.926 -8.768 1.00 0.00 H new ATOM 0 HA SER A 87 -2.937 -1.970 -6.483 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.892 0.494 -7.960 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.287 0.410 -6.255 1.00 0.00 H new ATOM 0 HG SER A 87 -0.022 0.143 -6.646 1.00 0.00 H new ATOM 1309 N GLU A 88 -4.476 -0.421 -8.963 1.00 0.00 N ATOM 1310 CA GLU A 88 -5.759 0.102 -9.418 1.00 0.00 C ATOM 1311 C GLU A 88 -6.841 -0.957 -9.278 1.00 0.00 C ATOM 1312 O GLU A 88 -7.907 -0.682 -8.742 1.00 0.00 O ATOM 1313 CB GLU A 88 -5.666 0.556 -10.878 1.00 0.00 C ATOM 1314 CG GLU A 88 -4.552 1.587 -11.057 1.00 0.00 C ATOM 1315 CD GLU A 88 -4.668 2.363 -12.369 1.00 0.00 C ATOM 1316 OE1 GLU A 88 -5.752 2.893 -12.703 1.00 0.00 O ATOM 1317 OE2 GLU A 88 -3.655 2.463 -13.102 1.00 0.00 O ATOM 0 H GLU A 88 -3.768 -0.460 -9.696 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.018 0.960 -8.797 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.477 -0.305 -11.520 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.618 0.985 -11.191 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.574 2.288 -10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.587 1.082 -11.023 1.00 0.00 H new ATOM 1324 N LEU A 89 -6.545 -2.177 -9.732 1.00 0.00 N ATOM 1325 CA LEU A 89 -7.443 -3.321 -9.672 1.00 0.00 C ATOM 1326 C LEU A 89 -7.914 -3.531 -8.231 1.00 0.00 C ATOM 1327 O LEU A 89 -9.095 -3.754 -7.980 1.00 0.00 O ATOM 1328 CB LEU A 89 -6.702 -4.560 -10.218 1.00 0.00 C ATOM 1329 CG LEU A 89 -7.585 -5.637 -10.870 1.00 0.00 C ATOM 1330 CD1 LEU A 89 -8.681 -6.181 -9.953 1.00 0.00 C ATOM 1331 CD2 LEU A 89 -8.203 -5.136 -12.179 1.00 0.00 C ATOM 0 H LEU A 89 -5.647 -2.397 -10.163 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.328 -3.148 -10.285 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.968 -4.226 -10.951 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.148 -5.019 -9.399 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.910 -6.467 -11.079 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.260 -6.935 -10.486 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.227 -6.629 -9.069 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.339 -5.367 -9.649 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.821 -5.922 -12.614 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.819 -4.259 -11.979 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.410 -4.870 -12.878 1.00 0.00 H new ATOM 1343 N VAL A 90 -6.994 -3.447 -7.269 1.00 0.00 N ATOM 1344 CA VAL A 90 -7.329 -3.658 -5.869 1.00 0.00 C ATOM 1345 C VAL A 90 -8.049 -2.455 -5.265 1.00 0.00 C ATOM 1346 O VAL A 90 -8.877 -2.635 -4.360 1.00 0.00 O ATOM 1347 CB VAL A 90 -6.067 -4.032 -5.077 1.00 0.00 C ATOM 1348 CG1 VAL A 90 -6.431 -4.460 -3.651 1.00 0.00 C ATOM 1349 CG2 VAL A 90 -5.312 -5.211 -5.709 1.00 0.00 C ATOM 0 H VAL A 90 -6.011 -3.234 -7.439 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.030 -4.491 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.438 -3.142 -5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.523 -4.721 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.936 -3.639 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.093 -5.325 -3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.428 -5.438 -5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.963 -6.085 -5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.009 -4.948 -6.722 1.00 0.00 H new ATOM 1359 N ALA A 91 -7.773 -1.243 -5.750 1.00 0.00 N ATOM 1360 CA ALA A 91 -8.549 -0.081 -5.370 1.00 0.00 C ATOM 1361 C ALA A 91 -9.999 -0.352 -5.764 1.00 0.00 C ATOM 1362 O ALA A 91 -10.914 -0.130 -4.970 1.00 0.00 O ATOM 1363 CB ALA A 91 -7.986 1.187 -6.015 1.00 0.00 C ATOM 0 H ALA A 91 -7.016 -1.050 -6.406 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.497 0.092 -4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.586 2.046 -5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.956 1.333 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.015 1.087 -7.100 1.00 0.00 H new ATOM 1369 N GLU A 92 -10.234 -0.904 -6.951 1.00 0.00 N ATOM 1370 CA GLU A 92 -11.582 -1.217 -7.396 1.00 0.00 C ATOM 1371 C GLU A 92 -12.005 -2.629 -6.957 1.00 0.00 C ATOM 1372 O GLU A 92 -12.766 -3.312 -7.645 1.00 0.00 O ATOM 1373 CB GLU A 92 -11.754 -0.928 -8.899 1.00 0.00 C ATOM 1374 CG GLU A 92 -10.960 -1.833 -9.851 1.00 0.00 C ATOM 1375 CD GLU A 92 -11.423 -1.716 -11.300 1.00 0.00 C ATOM 1376 OE1 GLU A 92 -12.593 -2.087 -11.575 1.00 0.00 O ATOM 1377 OE2 GLU A 92 -10.601 -1.417 -12.200 1.00 0.00 O ATOM 0 H GLU A 92 -9.504 -1.143 -7.622 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.284 -0.548 -6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.812 -1.012 -9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.464 0.106 -9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.902 -1.577 -9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.057 -2.869 -9.526 1.00 0.00 H new ATOM 1384 N LEU A 93 -11.552 -3.071 -5.778 1.00 0.00 N ATOM 1385 CA LEU A 93 -11.924 -4.354 -5.192 1.00 0.00 C ATOM 1386 C LEU A 93 -12.395 -4.165 -3.758 1.00 0.00 C ATOM 1387 O LEU A 93 -13.527 -4.530 -3.440 1.00 0.00 O ATOM 1388 CB LEU A 93 -10.745 -5.337 -5.299 1.00 0.00 C ATOM 1389 CG LEU A 93 -11.051 -6.751 -4.777 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -12.121 -7.440 -5.619 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -9.773 -7.597 -4.805 1.00 0.00 C ATOM 0 H LEU A 93 -10.906 -2.535 -5.199 1.00 0.00 H new ATOM 0 HA LEU A 93 -12.760 -4.783 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.438 -5.406 -6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.898 -4.933 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.423 -6.657 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.311 -8.437 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.040 -6.855 -5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -11.777 -7.521 -6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.992 -8.599 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.401 -7.661 -5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.016 -7.134 -4.172 1.00 0.00 H new ATOM 1403 N VAL A 94 -11.559 -3.598 -2.882 1.00 0.00 N ATOM 1404 CA VAL A 94 -11.935 -3.421 -1.473 1.00 0.00 C ATOM 1405 C VAL A 94 -13.202 -2.568 -1.347 1.00 0.00 C ATOM 1406 O VAL A 94 -14.109 -2.913 -0.587 1.00 0.00 O ATOM 1407 CB VAL A 94 -10.776 -2.843 -0.639 1.00 0.00 C ATOM 1408 CG1 VAL A 94 -9.608 -3.835 -0.564 1.00 0.00 C ATOM 1409 CG2 VAL A 94 -10.231 -1.507 -1.147 1.00 0.00 C ATOM 0 H VAL A 94 -10.627 -3.257 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.156 -4.407 -1.065 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.212 -2.666 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.802 -3.404 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.946 -4.761 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.245 -4.046 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.419 -1.176 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.858 -1.629 -2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.027 -0.763 -1.140 1.00 0.00 H new ATOM 1419 N ALA A 95 -13.286 -1.495 -2.136 1.00 0.00 N ATOM 1420 CA ALA A 95 -14.398 -0.559 -2.124 1.00 0.00 C ATOM 1421 C ALA A 95 -15.716 -1.199 -2.585 1.00 0.00 C ATOM 1422 O ALA A 95 -16.775 -0.592 -2.447 1.00 0.00 O ATOM 1423 CB ALA A 95 -14.042 0.619 -3.034 1.00 0.00 C ATOM 0 H ALA A 95 -12.564 -1.253 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.557 -0.228 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.864 1.335 -3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.140 1.105 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.869 0.257 -4.047 1.00 0.00 H new ATOM 1429 N LEU A 96 -15.664 -2.409 -3.151 1.00 0.00 N ATOM 1430 CA LEU A 96 -16.810 -3.163 -3.646 1.00 0.00 C ATOM 1431 C LEU A 96 -17.011 -4.444 -2.827 1.00 0.00 C ATOM 1432 O LEU A 96 -17.793 -5.318 -3.212 1.00 0.00 O ATOM 1433 CB LEU A 96 -16.656 -3.426 -5.155 1.00 0.00 C ATOM 1434 CG LEU A 96 -16.718 -2.112 -5.966 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -15.341 -1.590 -6.386 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -17.584 -2.264 -7.217 1.00 0.00 C ATOM 0 H LEU A 96 -14.783 -2.907 -3.280 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.718 -2.574 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.707 -3.927 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.444 -4.100 -5.491 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.164 -1.384 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.459 -0.666 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -14.738 -1.398 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.844 -2.334 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.604 -1.320 -7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -17.167 -3.043 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.598 -2.537 -6.926 1.00 0.00 H new ATOM 1448 N ASN A 97 -16.312 -4.573 -1.694 1.00 0.00 N ATOM 1449 CA ASN A 97 -16.327 -5.734 -0.807 1.00 0.00 C ATOM 1450 C ASN A 97 -16.537 -5.324 0.655 1.00 0.00 C ATOM 1451 O ASN A 97 -16.238 -6.109 1.552 1.00 0.00 O ATOM 1452 CB ASN A 97 -15.049 -6.567 -1.017 1.00 0.00 C ATOM 1453 CG ASN A 97 -15.217 -7.509 -2.198 1.00 0.00 C ATOM 1454 OD1 ASN A 97 -15.586 -8.670 -2.029 1.00 0.00 O ATOM 1455 ND2 ASN A 97 -14.918 -7.055 -3.399 1.00 0.00 N ATOM 0 H ASN A 97 -15.693 -3.835 -1.358 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.178 -6.365 -1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.200 -5.905 -1.190 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.828 -7.139 -0.116 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.991 -7.670 -4.209 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.614 -6.089 -3.518 1.00 0.00 H new ATOM 1462 N GLY A 98 -17.011 -4.102 0.918 1.00 0.00 N ATOM 1463 CA GLY A 98 -17.366 -3.644 2.259 1.00 0.00 C ATOM 1464 C GLY A 98 -16.482 -2.518 2.792 1.00 0.00 C ATOM 1465 O GLY A 98 -16.606 -2.170 3.967 1.00 0.00 O ATOM 0 H GLY A 98 -17.159 -3.397 0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.402 -3.305 2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.312 -4.489 2.945 1.00 0.00 H new ATOM 1469 N PHE A 99 -15.596 -1.939 1.975 1.00 0.00 N ATOM 1470 CA PHE A 99 -15.018 -0.625 2.252 1.00 0.00 C ATOM 1471 C PHE A 99 -15.782 0.414 1.412 1.00 0.00 C ATOM 1472 O PHE A 99 -16.572 0.038 0.542 1.00 0.00 O ATOM 1473 CB PHE A 99 -13.507 -0.610 1.956 1.00 0.00 C ATOM 1474 CG PHE A 99 -12.639 -1.467 2.873 1.00 0.00 C ATOM 1475 CD1 PHE A 99 -12.664 -2.873 2.800 1.00 0.00 C ATOM 1476 CD2 PHE A 99 -11.806 -0.857 3.829 1.00 0.00 C ATOM 1477 CE1 PHE A 99 -11.897 -3.642 3.696 1.00 0.00 C ATOM 1478 CE2 PHE A 99 -10.980 -1.620 4.668 1.00 0.00 C ATOM 1479 CZ PHE A 99 -11.039 -3.018 4.612 1.00 0.00 C ATOM 0 H PHE A 99 -15.263 -2.366 1.111 1.00 0.00 H new ATOM 0 HA PHE A 99 -15.120 -0.381 3.309 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -13.354 -0.942 0.929 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -13.155 0.420 2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.273 -3.363 2.055 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -11.802 0.219 3.919 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.970 -4.719 3.677 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.303 -1.132 5.353 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.426 -3.613 5.272 1.00 0.00 H new ATOM 1489 N LYS A 100 -15.592 1.714 1.668 1.00 0.00 N ATOM 1490 CA LYS A 100 -16.307 2.794 0.970 1.00 0.00 C ATOM 1491 C LYS A 100 -15.652 3.073 -0.378 1.00 0.00 C ATOM 1492 O LYS A 100 -16.269 2.848 -1.420 1.00 0.00 O ATOM 1493 CB LYS A 100 -16.398 4.077 1.823 1.00 0.00 C ATOM 1494 CG LYS A 100 -17.433 5.101 1.337 1.00 0.00 C ATOM 1495 CD LYS A 100 -18.871 4.557 1.265 1.00 0.00 C ATOM 1496 CE LYS A 100 -19.343 3.846 2.547 1.00 0.00 C ATOM 1497 NZ LYS A 100 -19.681 4.780 3.635 1.00 0.00 N ATOM 0 H LYS A 100 -14.933 2.050 2.370 1.00 0.00 H new ATOM 0 HA LYS A 100 -17.330 2.459 0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.638 3.798 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.418 4.553 1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -17.415 5.963 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -17.141 5.456 0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.549 5.383 1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.942 3.861 0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.216 3.235 2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.561 3.168 2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.063 4.600 4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -19.546 5.758 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.673 4.642 3.915 1.00 0.00 H new ATOM 1511 N SER A 101 -14.405 3.545 -0.331 1.00 0.00 N ATOM 1512 CA SER A 101 -13.607 3.956 -1.474 1.00 0.00 C ATOM 1513 C SER A 101 -12.176 3.490 -1.253 1.00 0.00 C ATOM 1514 O SER A 101 -11.755 3.255 -0.112 1.00 0.00 O ATOM 1515 CB SER A 101 -13.605 5.485 -1.603 1.00 0.00 C ATOM 1516 OG SER A 101 -14.909 6.021 -1.499 1.00 0.00 O ATOM 0 H SER A 101 -13.905 3.654 0.551 1.00 0.00 H new ATOM 0 HA SER A 101 -14.027 3.520 -2.381 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.972 5.915 -0.827 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.171 5.769 -2.562 1.00 0.00 H new ATOM 0 HG SER A 101 -14.869 6.997 -1.584 1.00 0.00 H new ATOM 1522 N ALA A 102 -11.402 3.411 -2.333 1.00 0.00 N ATOM 1523 CA ALA A 102 -9.984 3.128 -2.269 1.00 0.00 C ATOM 1524 C ALA A 102 -9.249 3.828 -3.404 1.00 0.00 C ATOM 1525 O ALA A 102 -9.858 4.362 -4.334 1.00 0.00 O ATOM 1526 CB ALA A 102 -9.786 1.616 -2.316 1.00 0.00 C ATOM 0 H ALA A 102 -11.752 3.544 -3.282 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.567 3.509 -1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.721 1.387 -2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.294 1.156 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.201 1.223 -3.244 1.00 0.00 H new ATOM 1532 N TYR A 103 -7.928 3.801 -3.291 1.00 0.00 N ATOM 1533 CA TYR A 103 -6.957 4.546 -4.064 1.00 0.00 C ATOM 1534 C TYR A 103 -5.759 3.659 -4.413 1.00 0.00 C ATOM 1535 O TYR A 103 -5.553 2.609 -3.793 1.00 0.00 O ATOM 1536 CB TYR A 103 -6.512 5.718 -3.190 1.00 0.00 C ATOM 1537 CG TYR A 103 -7.225 7.015 -3.474 1.00 0.00 C ATOM 1538 CD1 TYR A 103 -8.532 7.219 -2.999 1.00 0.00 C ATOM 1539 CD2 TYR A 103 -6.577 8.011 -4.223 1.00 0.00 C ATOM 1540 CE1 TYR A 103 -9.207 8.413 -3.291 1.00 0.00 C ATOM 1541 CE2 TYR A 103 -7.228 9.220 -4.496 1.00 0.00 C ATOM 1542 CZ TYR A 103 -8.552 9.421 -4.041 1.00 0.00 C ATOM 1543 OH TYR A 103 -9.185 10.592 -4.321 1.00 0.00 O ATOM 0 H TYR A 103 -7.476 3.206 -2.597 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.388 4.896 -5.002 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -6.667 5.454 -2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.441 5.870 -3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -9.017 6.456 -2.409 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.575 7.844 -4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.219 8.563 -2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -6.722 9.996 -5.051 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.589 11.169 -4.843 1.00 0.00 H new ATOM 1553 N ALA A 104 -4.976 4.090 -5.405 1.00 0.00 N ATOM 1554 CA ALA A 104 -3.838 3.380 -5.969 1.00 0.00 C ATOM 1555 C ALA A 104 -2.730 4.377 -6.324 1.00 0.00 C ATOM 1556 O ALA A 104 -2.988 5.395 -6.972 1.00 0.00 O ATOM 1557 CB ALA A 104 -4.294 2.641 -7.225 1.00 0.00 C ATOM 0 H ALA A 104 -5.132 4.991 -5.856 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.448 2.667 -5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.450 2.104 -7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.080 1.932 -6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.678 3.359 -7.950 1.00 0.00 H new ATOM 1563 N ILE A 105 -1.496 4.095 -5.904 1.00 0.00 N ATOM 1564 CA ILE A 105 -0.332 4.945 -6.152 1.00 0.00 C ATOM 1565 C ILE A 105 0.332 4.503 -7.454 1.00 0.00 C ATOM 1566 O ILE A 105 0.579 3.310 -7.673 1.00 0.00 O ATOM 1567 CB ILE A 105 0.626 4.983 -4.932 1.00 0.00 C ATOM 1568 CG1 ILE A 105 2.056 5.413 -5.309 1.00 0.00 C ATOM 1569 CG2 ILE A 105 0.727 3.669 -4.158 1.00 0.00 C ATOM 1570 CD1 ILE A 105 2.970 5.688 -4.111 1.00 0.00 C ATOM 0 H ILE A 105 -1.274 3.254 -5.372 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.646 5.981 -6.278 1.00 0.00 H new ATOM 0 HB ILE A 105 0.162 5.728 -4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.507 4.633 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.002 6.312 -5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.418 3.790 -3.324 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.257 3.394 -3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.092 2.884 -4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.957 5.985 -4.467 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.546 6.490 -3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.059 4.786 -3.506 1.00 0.00 H new ATOM 1582 N LYS A 106 0.634 5.475 -8.314 1.00 0.00 N ATOM 1583 CA LYS A 106 1.430 5.238 -9.508 1.00 0.00 C ATOM 1584 C LYS A 106 2.891 5.028 -9.150 1.00 0.00 C ATOM 1585 O LYS A 106 3.372 5.589 -8.168 1.00 0.00 O ATOM 1586 CB LYS A 106 1.292 6.425 -10.473 1.00 0.00 C ATOM 1587 CG LYS A 106 1.064 5.945 -11.917 1.00 0.00 C ATOM 1588 CD LYS A 106 -0.302 5.242 -12.079 1.00 0.00 C ATOM 1589 CE LYS A 106 -0.443 4.518 -13.419 1.00 0.00 C ATOM 1590 NZ LYS A 106 -0.566 5.452 -14.551 1.00 0.00 N ATOM 0 H LYS A 106 0.333 6.443 -8.200 1.00 0.00 H new ATOM 0 HA LYS A 106 1.062 4.334 -9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.460 7.056 -10.161 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.191 7.039 -10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.117 6.796 -12.596 1.00 0.00 H new ATOM 0 HG3 LYS A 106 1.862 5.259 -12.202 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.434 4.525 -11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -1.098 5.980 -11.985 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.423 3.875 -13.574 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.319 3.871 -13.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.659 4.914 -15.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -1.407 6.049 -14.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.281 6.053 -14.599 1.00 0.00 H new ATOM 1604 N ASP A 107 3.599 4.265 -9.984 1.00 0.00 N ATOM 1605 CA ASP A 107 5.000 3.867 -9.804 1.00 0.00 C ATOM 1606 C ASP A 107 5.223 3.054 -8.520 1.00 0.00 C ATOM 1607 O ASP A 107 6.370 2.751 -8.183 1.00 0.00 O ATOM 1608 CB ASP A 107 5.955 5.076 -9.894 1.00 0.00 C ATOM 1609 CG ASP A 107 6.011 5.776 -11.245 1.00 0.00 C ATOM 1610 OD1 ASP A 107 6.094 5.067 -12.278 1.00 0.00 O ATOM 1611 OD2 ASP A 107 6.053 7.026 -11.243 1.00 0.00 O ATOM 0 H ASP A 107 3.195 3.890 -10.842 1.00 0.00 H new ATOM 0 HA ASP A 107 5.241 3.202 -10.633 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.660 5.805 -9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.960 4.741 -9.637 1.00 0.00 H new ATOM 1616 N GLY A 108 4.146 2.672 -7.820 1.00 0.00 N ATOM 1617 CA GLY A 108 4.149 2.011 -6.526 1.00 0.00 C ATOM 1618 C GLY A 108 5.207 2.607 -5.608 1.00 0.00 C ATOM 1619 O GLY A 108 5.105 3.766 -5.204 1.00 0.00 O ATOM 0 H GLY A 108 3.201 2.829 -8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.167 2.106 -6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.337 0.946 -6.659 1.00 0.00 H new ATOM 1623 N ALA A 109 6.227 1.825 -5.273 1.00 0.00 N ATOM 1624 CA ALA A 109 7.260 2.208 -4.330 1.00 0.00 C ATOM 1625 C ALA A 109 8.644 2.264 -4.969 1.00 0.00 C ATOM 1626 O ALA A 109 9.445 3.119 -4.593 1.00 0.00 O ATOM 1627 CB ALA A 109 7.241 1.220 -3.173 1.00 0.00 C ATOM 0 H ALA A 109 6.358 0.890 -5.659 1.00 0.00 H new ATOM 0 HA ALA A 109 7.050 3.217 -3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.012 1.490 -2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.265 1.246 -2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.433 0.215 -3.549 1.00 0.00 H new ATOM 1633 N GLU A 110 8.929 1.343 -5.885 1.00 0.00 N ATOM 1634 CA GLU A 110 10.218 1.129 -6.525 1.00 0.00 C ATOM 1635 C GLU A 110 10.369 1.971 -7.797 1.00 0.00 C ATOM 1636 O GLU A 110 11.487 2.117 -8.304 1.00 0.00 O ATOM 1637 CB GLU A 110 10.386 -0.355 -6.895 1.00 0.00 C ATOM 1638 CG GLU A 110 10.379 -1.286 -5.676 1.00 0.00 C ATOM 1639 CD GLU A 110 10.717 -2.731 -6.056 1.00 0.00 C ATOM 1640 OE1 GLU A 110 10.178 -3.274 -7.047 1.00 0.00 O ATOM 1641 OE2 GLU A 110 11.547 -3.351 -5.360 1.00 0.00 O ATOM 0 H GLU A 110 8.222 0.688 -6.219 1.00 0.00 H new ATOM 0 HA GLU A 110 10.985 1.432 -5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.583 -0.647 -7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 110 11.323 -0.484 -7.437 1.00 0.00 H new ATOM 0 HG2 GLU A 110 11.099 -0.926 -4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.398 -1.256 -5.202 1.00 0.00 H new ATOM 1648 N GLY A 111 9.262 2.480 -8.348 1.00 0.00 N ATOM 1649 CA GLY A 111 9.248 3.157 -9.631 1.00 0.00 C ATOM 1650 C GLY A 111 9.966 4.505 -9.572 1.00 0.00 C ATOM 1651 O GLY A 111 10.230 5.033 -8.488 1.00 0.00 O ATOM 0 H GLY A 111 8.345 2.428 -7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.724 2.525 -10.380 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.217 3.309 -9.950 1.00 0.00 H new ATOM 1655 N PRO A 112 10.270 5.111 -10.731 1.00 0.00 N ATOM 1656 CA PRO A 112 11.173 6.254 -10.804 1.00 0.00 C ATOM 1657 C PRO A 112 10.649 7.515 -10.131 1.00 0.00 C ATOM 1658 O PRO A 112 11.447 8.406 -9.826 1.00 0.00 O ATOM 1659 CB PRO A 112 11.473 6.491 -12.284 1.00 0.00 C ATOM 1660 CG PRO A 112 10.378 5.715 -13.008 1.00 0.00 C ATOM 1661 CD PRO A 112 9.991 4.594 -12.055 1.00 0.00 C ATOM 0 HA PRO A 112 12.077 6.019 -10.243 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.443 7.552 -12.533 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.465 6.129 -12.554 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.524 6.354 -13.232 1.00 0.00 H new ATOM 0 HG3 PRO A 112 10.738 5.319 -13.958 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.939 4.331 -12.162 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.567 3.690 -12.255 1.00 0.00 H new ATOM 1669 N ARG A 113 9.352 7.586 -9.837 1.00 0.00 N ATOM 1670 CA ARG A 113 8.751 8.600 -8.981 1.00 0.00 C ATOM 1671 C ARG A 113 7.753 7.945 -8.016 1.00 0.00 C ATOM 1672 O ARG A 113 6.841 8.621 -7.545 1.00 0.00 O ATOM 1673 CB ARG A 113 8.146 9.703 -9.870 1.00 0.00 C ATOM 1674 CG ARG A 113 9.235 10.610 -10.470 1.00 0.00 C ATOM 1675 CD ARG A 113 8.686 11.983 -10.908 1.00 0.00 C ATOM 1676 NE ARG A 113 9.542 13.079 -10.416 1.00 0.00 N ATOM 1677 CZ ARG A 113 9.170 14.148 -9.698 1.00 0.00 C ATOM 1678 NH1 ARG A 113 7.898 14.390 -9.413 1.00 0.00 N ATOM 1679 NH2 ARG A 113 10.083 14.999 -9.247 1.00 0.00 N ATOM 0 H ARG A 113 8.672 6.918 -10.200 1.00 0.00 H new ATOM 0 HA ARG A 113 9.496 9.081 -8.347 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.568 9.247 -10.674 1.00 0.00 H new ATOM 0 HB3 ARG A 113 7.453 10.305 -9.282 1.00 0.00 H new ATOM 0 HG2 ARG A 113 10.026 10.757 -9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 113 9.686 10.112 -11.329 1.00 0.00 H new ATOM 0 HD2 ARG A 113 8.627 12.024 -11.996 1.00 0.00 H new ATOM 0 HD3 ARG A 113 7.672 12.111 -10.528 1.00 0.00 H new ATOM 0 HE ARG A 113 10.533 13.016 -10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 113 7.172 13.754 -9.742 1.00 0.00 H new ATOM 0 HH12 ARG A 113 7.646 15.212 -8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 113 11.071 14.840 -9.447 1.00 0.00 H new ATOM 0 HH22 ARG A 113 9.797 15.812 -8.701 1.00 0.00 H new ATOM 1693 N GLY A 114 7.900 6.647 -7.734 1.00 0.00 N ATOM 1694 CA GLY A 114 7.107 5.937 -6.739 1.00 0.00 C ATOM 1695 C GLY A 114 7.491 6.402 -5.331 1.00 0.00 C ATOM 1696 O GLY A 114 8.282 7.331 -5.173 1.00 0.00 O ATOM 0 H GLY A 114 8.586 6.055 -8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 114 6.046 6.116 -6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.269 4.863 -6.833 1.00 0.00 H new ATOM 1700 N TRP A 115 6.940 5.757 -4.299 1.00 0.00 N ATOM 1701 CA TRP A 115 7.067 6.126 -2.888 1.00 0.00 C ATOM 1702 C TRP A 115 8.503 6.500 -2.496 1.00 0.00 C ATOM 1703 O TRP A 115 8.716 7.614 -2.007 1.00 0.00 O ATOM 1704 CB TRP A 115 6.533 4.988 -2.000 1.00 0.00 C ATOM 1705 CG TRP A 115 6.288 5.317 -0.558 1.00 0.00 C ATOM 1706 CD1 TRP A 115 7.230 5.491 0.396 1.00 0.00 C ATOM 1707 CD2 TRP A 115 5.011 5.489 0.116 1.00 0.00 C ATOM 1708 NE1 TRP A 115 6.626 5.727 1.617 1.00 0.00 N ATOM 1709 CE2 TRP A 115 5.249 5.756 1.496 1.00 0.00 C ATOM 1710 CE3 TRP A 115 3.669 5.449 -0.315 1.00 0.00 C ATOM 1711 CZ2 TRP A 115 4.196 5.976 2.401 1.00 0.00 C ATOM 1712 CZ3 TRP A 115 2.608 5.649 0.582 1.00 0.00 C ATOM 1713 CH2 TRP A 115 2.867 5.911 1.939 1.00 0.00 C ATOM 0 H TRP A 115 6.366 4.924 -4.432 1.00 0.00 H new ATOM 0 HA TRP A 115 6.466 7.022 -2.731 1.00 0.00 H new ATOM 0 HB2 TRP A 115 5.598 4.630 -2.431 1.00 0.00 H new ATOM 0 HB3 TRP A 115 7.241 4.161 -2.045 1.00 0.00 H new ATOM 0 HD1 TRP A 115 8.296 5.451 0.229 1.00 0.00 H new ATOM 0 HE1 TRP A 115 7.131 5.862 2.493 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.453 5.261 -1.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.404 6.192 3.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 1.589 5.601 0.228 1.00 0.00 H new ATOM 0 HH2 TRP A 115 2.048 6.062 2.626 1.00 0.00 H new ATOM 1724 N LEU A 116 9.473 5.591 -2.700 1.00 0.00 N ATOM 1725 CA LEU A 116 10.877 5.816 -2.341 1.00 0.00 C ATOM 1726 C LEU A 116 11.348 7.105 -3.000 1.00 0.00 C ATOM 1727 O LEU A 116 11.828 8.039 -2.352 1.00 0.00 O ATOM 1728 CB LEU A 116 11.789 4.659 -2.804 1.00 0.00 C ATOM 1729 CG LEU A 116 11.598 3.318 -2.079 1.00 0.00 C ATOM 1730 CD1 LEU A 116 12.503 2.265 -2.733 1.00 0.00 C ATOM 1731 CD2 LEU A 116 11.938 3.382 -0.594 1.00 0.00 C ATOM 0 H LEU A 116 9.300 4.678 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 116 10.941 5.878 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.627 4.499 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.827 4.970 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 116 10.542 3.060 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.375 1.309 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.235 2.157 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.543 2.580 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.781 2.402 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.981 3.676 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.295 4.114 -0.105 1.00 0.00 H new ATOM 1743 N ASN A 117 11.152 7.156 -4.315 1.00 0.00 N ATOM 1744 CA ASN A 117 11.539 8.229 -5.213 1.00 0.00 C ATOM 1745 C ASN A 117 10.670 9.481 -5.088 1.00 0.00 C ATOM 1746 O ASN A 117 10.745 10.362 -5.946 1.00 0.00 O ATOM 1747 CB ASN A 117 11.586 7.690 -6.651 1.00 0.00 C ATOM 1748 CG ASN A 117 12.883 6.949 -6.955 1.00 0.00 C ATOM 1749 OD1 ASN A 117 13.446 6.261 -6.107 1.00 0.00 O ATOM 1750 ND2 ASN A 117 13.414 7.122 -8.150 1.00 0.00 N ATOM 0 H ASN A 117 10.687 6.395 -4.810 1.00 0.00 H new ATOM 0 HA ASN A 117 12.534 8.565 -4.921 1.00 0.00 H new ATOM 0 HB2 ASN A 117 10.742 7.019 -6.812 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.472 8.519 -7.350 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.305 6.682 -8.381 1.00 0.00 H new ATOM 0 HD22 ASN A 117 12.934 7.696 -8.843 1.00 0.00 H new ATOM 1757 N SER A 118 9.877 9.597 -4.027 1.00 0.00 N ATOM 1758 CA SER A 118 9.007 10.720 -3.753 1.00 0.00 C ATOM 1759 C SER A 118 9.321 11.334 -2.383 1.00 0.00 C ATOM 1760 O SER A 118 8.484 12.065 -1.849 1.00 0.00 O ATOM 1761 CB SER A 118 7.568 10.234 -3.922 1.00 0.00 C ATOM 1762 OG SER A 118 6.660 11.312 -3.861 1.00 0.00 O ATOM 0 H SER A 118 9.826 8.876 -3.308 1.00 0.00 H new ATOM 0 HA SER A 118 9.167 11.540 -4.454 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.464 9.720 -4.877 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.331 9.510 -3.143 1.00 0.00 H new ATOM 0 HG SER A 118 6.981 11.974 -3.213 1.00 0.00 H new ATOM 1768 N SER A 119 10.518 11.072 -1.831 1.00 0.00 N ATOM 1769 CA SER A 119 11.011 11.696 -0.603 1.00 0.00 C ATOM 1770 C SER A 119 10.144 11.328 0.613 1.00 0.00 C ATOM 1771 O SER A 119 9.992 12.125 1.542 1.00 0.00 O ATOM 1772 CB SER A 119 11.142 13.211 -0.846 1.00 0.00 C ATOM 1773 OG SER A 119 11.994 13.853 0.085 1.00 0.00 O ATOM 0 H SER A 119 11.177 10.408 -2.237 1.00 0.00 H new ATOM 0 HA SER A 119 11.999 11.311 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.523 13.379 -1.853 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.153 13.667 -0.799 1.00 0.00 H new ATOM 0 HG SER A 119 11.750 13.580 0.994 1.00 0.00 H new ATOM 1779 N LEU A 120 9.545 10.136 0.614 1.00 0.00 N ATOM 1780 CA LEU A 120 8.619 9.689 1.651 1.00 0.00 C ATOM 1781 C LEU A 120 9.352 8.887 2.737 1.00 0.00 C ATOM 1782 O LEU A 120 10.455 8.391 2.482 1.00 0.00 O ATOM 1783 CB LEU A 120 7.520 8.867 0.959 1.00 0.00 C ATOM 1784 CG LEU A 120 6.626 9.686 0.008 1.00 0.00 C ATOM 1785 CD1 LEU A 120 5.461 8.827 -0.473 1.00 0.00 C ATOM 1786 CD2 LEU A 120 6.072 10.945 0.680 1.00 0.00 C ATOM 0 H LEU A 120 9.694 9.443 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 120 8.170 10.539 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.986 8.059 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.893 8.404 1.721 1.00 0.00 H new ATOM 0 HG LEU A 120 7.246 9.995 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.832 9.411 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.846 7.955 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.872 8.501 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.448 11.491 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.475 10.662 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.898 11.580 1.000 1.00 0.00 H new ATOM 1798 N PRO A 121 8.761 8.708 3.932 1.00 0.00 N ATOM 1799 CA PRO A 121 9.377 7.948 5.021 1.00 0.00 C ATOM 1800 C PRO A 121 9.380 6.434 4.751 1.00 0.00 C ATOM 1801 O PRO A 121 8.453 5.894 4.125 1.00 0.00 O ATOM 1802 CB PRO A 121 8.531 8.289 6.251 1.00 0.00 C ATOM 1803 CG PRO A 121 7.148 8.564 5.671 1.00 0.00 C ATOM 1804 CD PRO A 121 7.477 9.255 4.355 1.00 0.00 C ATOM 0 HA PRO A 121 10.427 8.210 5.147 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.510 7.465 6.964 1.00 0.00 H new ATOM 0 HB3 PRO A 121 8.924 9.158 6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.582 7.645 5.517 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.552 9.200 6.326 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.705 9.064 3.609 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.535 10.336 4.484 1.00 0.00 H new ATOM 1812 N TRP A 122 10.379 5.725 5.288 1.00 0.00 N ATOM 1813 CA TRP A 122 10.555 4.285 5.108 1.00 0.00 C ATOM 1814 C TRP A 122 10.927 3.623 6.432 1.00 0.00 C ATOM 1815 O TRP A 122 11.539 4.267 7.285 1.00 0.00 O ATOM 1816 CB TRP A 122 11.644 4.037 4.056 1.00 0.00 C ATOM 1817 CG TRP A 122 11.501 2.733 3.349 1.00 0.00 C ATOM 1818 CD1 TRP A 122 12.291 1.644 3.474 1.00 0.00 C ATOM 1819 CD2 TRP A 122 10.462 2.379 2.400 1.00 0.00 C ATOM 1820 NE1 TRP A 122 11.810 0.630 2.654 1.00 0.00 N ATOM 1821 CE2 TRP A 122 10.681 1.043 1.965 1.00 0.00 C ATOM 1822 CE3 TRP A 122 9.362 3.072 1.856 1.00 0.00 C ATOM 1823 CZ2 TRP A 122 9.840 0.442 1.018 1.00 0.00 C ATOM 1824 CZ3 TRP A 122 8.487 2.451 0.951 1.00 0.00 C ATOM 1825 CH2 TRP A 122 8.721 1.138 0.537 1.00 0.00 C ATOM 0 H TRP A 122 11.101 6.148 5.871 1.00 0.00 H new ATOM 0 HA TRP A 122 9.618 3.847 4.765 1.00 0.00 H new ATOM 0 HB2 TRP A 122 11.620 4.843 3.323 1.00 0.00 H new ATOM 0 HB3 TRP A 122 12.620 4.074 4.539 1.00 0.00 H new ATOM 0 HD1 TRP A 122 13.160 1.573 4.111 1.00 0.00 H new ATOM 0 HE1 TRP A 122 12.232 -0.295 2.571 1.00 0.00 H new ATOM 0 HE3 TRP A 122 9.189 4.099 2.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 10.053 -0.554 0.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 7.631 2.990 0.574 1.00 0.00 H new ATOM 0 HH2 TRP A 122 8.042 0.659 -0.152 1.00 0.00 H new ATOM 1836 N ILE A 123 10.599 2.343 6.613 1.00 0.00 N ATOM 1837 CA ILE A 123 11.042 1.546 7.752 1.00 0.00 C ATOM 1838 C ILE A 123 12.381 0.954 7.397 1.00 0.00 C ATOM 1839 O ILE A 123 13.324 1.288 8.104 1.00 0.00 O ATOM 1840 CB ILE A 123 10.019 0.475 8.214 1.00 0.00 C ATOM 1841 CG1 ILE A 123 8.676 1.129 8.570 1.00 0.00 C ATOM 1842 CG2 ILE A 123 10.556 -0.289 9.441 1.00 0.00 C ATOM 1843 CD1 ILE A 123 7.518 0.162 8.802 1.00 0.00 C ATOM 0 H ILE A 123 10.009 1.825 5.961 1.00 0.00 H new ATOM 0 HA ILE A 123 11.132 2.196 8.622 1.00 0.00 H new ATOM 0 HB ILE A 123 9.869 -0.224 7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 123 8.811 1.730 9.469 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.400 1.813 7.768 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.826 -1.036 9.752 1.00 0.00 H new ATOM 0 HG22 ILE A 123 11.493 -0.782 9.181 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.729 0.411 10.258 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.617 0.725 9.047 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.346 -0.423 7.899 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.763 -0.508 9.627 1.00 0.00 H new ATOM 1855 N GLU A 124 12.450 0.184 6.303 1.00 0.00 N ATOM 1856 CA GLU A 124 13.610 -0.560 5.793 1.00 0.00 C ATOM 1857 C GLU A 124 13.834 -1.867 6.581 1.00 0.00 C ATOM 1858 O GLU A 124 13.351 -2.001 7.710 1.00 0.00 O ATOM 1859 CB GLU A 124 14.838 0.356 5.605 1.00 0.00 C ATOM 1860 CG GLU A 124 15.720 0.602 6.804 1.00 0.00 C ATOM 1861 CD GLU A 124 17.229 0.637 6.610 1.00 0.00 C ATOM 1862 OE1 GLU A 124 17.716 0.804 5.466 1.00 0.00 O ATOM 1863 OE2 GLU A 124 17.917 0.596 7.653 1.00 0.00 O ATOM 0 H GLU A 124 11.634 0.055 5.705 1.00 0.00 H new ATOM 0 HA GLU A 124 13.402 -0.907 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.457 -0.071 4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 124 14.484 1.322 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.422 1.554 7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.500 -0.171 7.540 1.00 0.00 H new ATOM 1870 N PRO A 125 14.532 -2.857 5.994 1.00 0.00 N ATOM 1871 CA PRO A 125 14.845 -4.110 6.658 1.00 0.00 C ATOM 1872 C PRO A 125 15.884 -3.858 7.756 1.00 0.00 C ATOM 1873 O PRO A 125 15.546 -3.827 8.945 1.00 0.00 O ATOM 1874 CB PRO A 125 15.333 -5.048 5.548 1.00 0.00 C ATOM 1875 CG PRO A 125 15.881 -4.122 4.461 1.00 0.00 C ATOM 1876 CD PRO A 125 15.124 -2.815 4.666 1.00 0.00 C ATOM 0 HA PRO A 125 13.993 -4.563 7.165 1.00 0.00 H new ATOM 0 HB2 PRO A 125 16.104 -5.726 5.915 1.00 0.00 H new ATOM 0 HB3 PRO A 125 14.520 -5.666 5.167 1.00 0.00 H new ATOM 0 HG2 PRO A 125 16.957 -3.980 4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 125 15.708 -4.531 3.465 1.00 0.00 H new ATOM 0 HD2 PRO A 125 15.798 -1.963 4.573 1.00 0.00 H new ATOM 0 HD3 PRO A 125 14.352 -2.695 3.906 1.00 0.00 H new