USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= -0.213 K(o=-1.3,f=-5.7!) USER MOD Set 1.2: A 81 THR OG1 : rot 155:sc= -1.11 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.01 K(o=-1,f=-0.075!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.754 X(o=-0.75,f=-0.79) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.3) USER MOD Single : A 35 LYS NZ :NH3+ -126:sc= -0.598 (180deg=-2.17!) USER MOD Single : A 41 SER OG : rot -96:sc= 0.27 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.35) USER MOD Single : A 51 ASN : amide:sc= -3.16! C(o=-3.2!,f=-12!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -2.13! K(o=-2.1!,f=-0.9) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.690 -4.951 -9.037 1.00 0.00 N ATOM 60 CA GLY A 7 -6.728 -4.260 -8.199 1.00 0.00 C ATOM 61 C GLY A 7 -6.298 -2.930 -8.786 1.00 0.00 C ATOM 62 O GLY A 7 -5.796 -2.873 -9.909 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.162 -4.095 -7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.851 -4.893 -8.060 1.00 0.00 H new ATOM 66 N ARG A 8 -6.497 -1.858 -8.027 1.00 0.00 N ATOM 67 CA ARG A 8 -6.128 -0.522 -8.480 1.00 0.00 C ATOM 68 C ARG A 8 -4.644 -0.258 -8.245 1.00 0.00 C ATOM 69 O ARG A 8 -4.005 -0.925 -7.431 1.00 0.00 O ATOM 70 CB ARG A 8 -6.966 0.534 -7.757 1.00 0.00 C ATOM 71 CG ARG A 8 -6.823 0.494 -6.244 1.00 0.00 C ATOM 72 CD ARG A 8 -7.794 1.449 -5.567 1.00 0.00 C ATOM 73 NE ARG A 8 -7.343 2.835 -5.646 1.00 0.00 N ATOM 74 CZ ARG A 8 -7.574 3.625 -6.690 1.00 0.00 C ATOM 75 NH1 ARG A 8 -8.246 3.166 -7.736 1.00 0.00 N ATOM 76 NH2 ARG A 8 -7.131 4.876 -6.687 1.00 0.00 N ATOM 0 H ARG A 8 -6.912 -1.888 -7.096 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.324 -0.462 -9.550 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.677 1.522 -8.115 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.015 0.394 -8.018 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.001 -0.521 -5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.802 0.755 -5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.775 1.360 -6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.912 1.165 -4.521 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.822 3.218 -4.857 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.587 2.205 -7.741 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.422 3.774 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.613 5.232 -5.883 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.308 5.482 -7.488 1.00 0.00 H new ATOM 90 N VAL A 9 -4.101 0.720 -8.963 1.00 0.00 N ATOM 91 CA VAL A 9 -2.692 1.073 -8.833 1.00 0.00 C ATOM 92 C VAL A 9 -2.525 2.421 -8.142 1.00 0.00 C ATOM 93 O VAL A 9 -2.856 3.465 -8.705 1.00 0.00 O ATOM 94 CB VAL A 9 -1.996 1.122 -10.206 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.617 1.751 -10.083 1.00 0.00 C ATOM 96 CG2 VAL A 9 -1.903 -0.273 -10.806 1.00 0.00 C ATOM 0 H VAL A 9 -4.616 1.282 -9.641 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.226 0.297 -8.226 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.593 1.741 -10.875 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.140 1.777 -11.063 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.713 2.767 -9.699 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.008 1.161 -9.399 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.409 -0.220 -11.776 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.329 -0.918 -10.141 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.905 -0.683 -10.932 1.00 0.00 H new ATOM 106 N VAL A 10 -2.008 2.393 -6.918 1.00 0.00 N ATOM 107 CA VAL A 10 -1.795 3.614 -6.150 1.00 0.00 C ATOM 108 C VAL A 10 -0.395 4.171 -6.381 1.00 0.00 C ATOM 109 O VAL A 10 0.546 3.424 -6.649 1.00 0.00 O ATOM 110 CB VAL A 10 -1.997 3.371 -4.642 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.353 4.669 -3.934 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.069 2.317 -4.411 1.00 0.00 C ATOM 0 H VAL A 10 -1.729 1.538 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.533 4.338 -6.496 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.061 3.002 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.492 4.477 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.548 5.391 -4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.275 5.071 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.198 2.158 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.011 2.655 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.767 1.382 -4.883 1.00 0.00 H new ATOM 122 N VAL A 11 -0.264 5.490 -6.274 1.00 0.00 N ATOM 123 CA VAL A 11 1.021 6.149 -6.470 1.00 0.00 C ATOM 124 C VAL A 11 1.223 7.273 -5.459 1.00 0.00 C ATOM 125 O VAL A 11 0.426 8.209 -5.391 1.00 0.00 O ATOM 126 CB VAL A 11 1.147 6.724 -7.893 1.00 0.00 C ATOM 127 CG1 VAL A 11 2.472 7.450 -8.061 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.000 5.619 -8.928 1.00 0.00 C ATOM 0 H VAL A 11 -1.033 6.123 -6.053 1.00 0.00 H new ATOM 0 HA VAL A 11 1.790 5.391 -6.324 1.00 0.00 H new ATOM 0 HB VAL A 11 0.344 7.445 -8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.542 7.849 -9.073 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.532 8.268 -7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.293 6.754 -7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.092 6.043 -9.928 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.780 4.873 -8.777 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.023 5.148 -8.821 1.00 0.00 H new ATOM 138 N ILE A 12 2.292 7.174 -4.677 1.00 0.00 N ATOM 139 CA ILE A 12 2.599 8.183 -3.672 1.00 0.00 C ATOM 140 C ILE A 12 4.052 8.634 -3.770 1.00 0.00 C ATOM 141 O ILE A 12 4.887 7.950 -4.362 1.00 0.00 O ATOM 142 CB ILE A 12 2.331 7.660 -2.248 1.00 0.00 C ATOM 143 CG1 ILE A 12 0.948 7.008 -2.173 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.445 8.791 -1.237 1.00 0.00 C ATOM 145 CD1 ILE A 12 0.860 5.895 -1.153 1.00 0.00 C ATOM 0 H ILE A 12 2.960 6.405 -4.720 1.00 0.00 H new ATOM 0 HA ILE A 12 1.944 9.032 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 12 3.081 6.907 -2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.208 7.771 -1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.688 6.612 -3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.253 8.405 -0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.449 9.214 -1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.715 9.565 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.148 5.479 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.576 5.113 -1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.088 6.290 -0.163 1.00 0.00 H new ATOM 157 N LYS A 13 4.348 9.789 -3.185 1.00 0.00 N ATOM 158 CA LYS A 13 5.702 10.332 -3.203 1.00 0.00 C ATOM 159 C LYS A 13 6.027 11.025 -1.884 1.00 0.00 C ATOM 160 O LYS A 13 5.471 12.078 -1.570 1.00 0.00 O ATOM 161 CB LYS A 13 5.863 11.317 -4.363 1.00 0.00 C ATOM 162 CG LYS A 13 5.030 10.962 -5.583 1.00 0.00 C ATOM 163 CD LYS A 13 5.650 11.504 -6.859 1.00 0.00 C ATOM 164 CE LYS A 13 4.615 11.655 -7.963 1.00 0.00 C ATOM 165 NZ LYS A 13 3.876 12.944 -7.859 1.00 0.00 N ATOM 0 H LYS A 13 3.668 10.368 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 13 6.398 9.504 -3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.586 12.315 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.914 11.358 -4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.934 9.879 -5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.024 11.364 -5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.112 12.470 -6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.443 10.835 -7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.108 11.597 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.908 10.826 -7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.180 13.008 -8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.384 12.989 -6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.547 13.736 -7.931 1.00 0.00 H new ATOM 179 N LYS A 14 6.934 10.430 -1.116 1.00 0.00 N ATOM 180 CA LYS A 14 7.337 10.992 0.168 1.00 0.00 C ATOM 181 C LYS A 14 7.398 12.514 0.101 1.00 0.00 C ATOM 182 O LYS A 14 8.040 13.081 -0.782 1.00 0.00 O ATOM 183 CB LYS A 14 8.699 10.434 0.586 1.00 0.00 C ATOM 184 CG LYS A 14 8.893 10.369 2.091 1.00 0.00 C ATOM 185 CD LYS A 14 10.151 9.601 2.459 1.00 0.00 C ATOM 186 CE LYS A 14 9.895 8.103 2.512 1.00 0.00 C ATOM 187 NZ LYS A 14 10.973 7.381 3.243 1.00 0.00 N ATOM 0 H LYS A 14 7.404 9.558 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 14 6.591 10.709 0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.816 9.434 0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.485 11.053 0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.952 11.380 2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.027 9.892 2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.933 9.812 1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.517 9.943 3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.938 7.915 2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.819 7.712 1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.761 6.363 3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.883 7.539 2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.029 7.736 4.219 1.00 0.00 H new ATOM 201 N GLY A 15 6.726 13.171 1.042 1.00 0.00 N ATOM 202 CA GLY A 15 6.718 14.622 1.072 1.00 0.00 C ATOM 203 C GLY A 15 7.005 15.175 2.453 1.00 0.00 C ATOM 204 O GLY A 15 7.969 15.916 2.645 1.00 0.00 O ATOM 0 H GLY A 15 6.187 12.724 1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.461 15.001 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.747 14.984 0.734 1.00 0.00 H new ATOM 208 N SER A 16 6.166 14.815 3.419 1.00 0.00 N ATOM 209 CA SER A 16 6.332 15.285 4.790 1.00 0.00 C ATOM 210 C SER A 16 6.970 14.207 5.660 1.00 0.00 C ATOM 211 O SER A 16 6.329 13.655 6.553 1.00 0.00 O ATOM 212 CB SER A 16 4.980 15.696 5.377 1.00 0.00 C ATOM 213 OG SER A 16 5.123 16.168 6.706 1.00 0.00 O ATOM 0 H SER A 16 5.365 14.200 3.278 1.00 0.00 H new ATOM 0 HA SER A 16 6.992 16.152 4.774 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.532 16.473 4.758 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.299 14.845 5.361 1.00 0.00 H new ATOM 0 HG SER A 16 4.245 16.426 7.058 1.00 0.00 H new ATOM 219 N ASN A 17 8.238 13.913 5.392 1.00 0.00 N ATOM 220 CA ASN A 17 8.965 12.901 6.150 1.00 0.00 C ATOM 221 C ASN A 17 8.129 11.635 6.307 1.00 0.00 C ATOM 222 O ASN A 17 8.104 11.023 7.375 1.00 0.00 O ATOM 223 CB ASN A 17 9.352 13.444 7.526 1.00 0.00 C ATOM 224 CG ASN A 17 10.464 12.641 8.173 1.00 0.00 C ATOM 225 OD1 ASN A 17 10.415 11.412 8.211 1.00 0.00 O ATOM 226 ND2 ASN A 17 11.474 13.335 8.686 1.00 0.00 N ATOM 0 H ASN A 17 8.783 14.361 4.656 1.00 0.00 H new ATOM 0 HA ASN A 17 9.871 12.651 5.598 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.667 14.483 7.428 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.477 13.437 8.176 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.251 12.849 9.134 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.473 14.354 8.632 1.00 0.00 H new ATOM 233 N GLY A 18 7.444 11.247 5.236 1.00 0.00 N ATOM 234 CA GLY A 18 6.616 10.055 5.275 1.00 0.00 C ATOM 235 C GLY A 18 5.624 10.000 4.130 1.00 0.00 C ATOM 236 O GLY A 18 5.538 10.931 3.329 1.00 0.00 O ATOM 0 H GLY A 18 7.447 11.737 4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.254 9.172 5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.076 10.022 6.221 1.00 0.00 H new ATOM 240 N TYR A 19 4.875 8.906 4.051 1.00 0.00 N ATOM 241 CA TYR A 19 3.888 8.731 2.993 1.00 0.00 C ATOM 242 C TYR A 19 2.497 9.136 3.473 1.00 0.00 C ATOM 243 O TYR A 19 1.834 9.969 2.858 1.00 0.00 O ATOM 244 CB TYR A 19 3.872 7.277 2.517 1.00 0.00 C ATOM 245 CG TYR A 19 5.152 6.849 1.836 1.00 0.00 C ATOM 246 CD1 TYR A 19 5.332 7.035 0.471 1.00 0.00 C ATOM 247 CD2 TYR A 19 6.182 6.260 2.558 1.00 0.00 C ATOM 248 CE1 TYR A 19 6.499 6.644 -0.156 1.00 0.00 C ATOM 249 CE2 TYR A 19 7.354 5.867 1.940 1.00 0.00 C ATOM 250 CZ TYR A 19 7.508 6.061 0.583 1.00 0.00 C ATOM 251 OH TYR A 19 8.673 5.672 -0.037 1.00 0.00 O ATOM 0 H TYR A 19 4.933 8.127 4.707 1.00 0.00 H new ATOM 0 HA TYR A 19 4.167 9.376 2.160 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.690 6.626 3.372 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.039 7.138 1.827 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.546 7.493 -0.110 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.065 6.106 3.621 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.621 6.794 -1.219 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.145 5.410 2.516 1.00 0.00 H new ATOM 0 HH TYR A 19 9.281 5.280 0.625 1.00 0.00 H new ATOM 261 N GLY A 20 2.062 8.538 4.578 1.00 0.00 N ATOM 262 CA GLY A 20 0.754 8.849 5.124 1.00 0.00 C ATOM 263 C GLY A 20 -0.105 7.614 5.310 1.00 0.00 C ATOM 264 O GLY A 20 -1.278 7.713 5.671 1.00 0.00 O ATOM 0 H GLY A 20 2.592 7.844 5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.874 9.352 6.084 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.243 9.547 4.460 1.00 0.00 H new ATOM 268 N PHE A 21 0.479 6.446 5.061 1.00 0.00 N ATOM 269 CA PHE A 21 -0.242 5.186 5.200 1.00 0.00 C ATOM 270 C PHE A 21 0.591 4.166 5.971 1.00 0.00 C ATOM 271 O PHE A 21 1.821 4.232 5.981 1.00 0.00 O ATOM 272 CB PHE A 21 -0.606 4.627 3.823 1.00 0.00 C ATOM 273 CG PHE A 21 0.516 3.876 3.165 1.00 0.00 C ATOM 274 CD1 PHE A 21 0.717 2.532 3.432 1.00 0.00 C ATOM 275 CD2 PHE A 21 1.368 4.514 2.278 1.00 0.00 C ATOM 276 CE1 PHE A 21 1.749 1.839 2.828 1.00 0.00 C ATOM 277 CE2 PHE A 21 2.401 3.826 1.671 1.00 0.00 C ATOM 278 CZ PHE A 21 2.592 2.486 1.946 1.00 0.00 C ATOM 0 H PHE A 21 1.449 6.346 4.762 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.157 5.380 5.759 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.466 3.965 3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.911 5.449 3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.060 2.020 4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.223 5.561 2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.896 0.791 3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.058 4.335 0.982 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.398 1.946 1.473 1.00 0.00 H new ATOM 288 N TYR A 22 -0.088 3.223 6.616 1.00 0.00 N ATOM 289 CA TYR A 22 0.588 2.191 7.392 1.00 0.00 C ATOM 290 C TYR A 22 0.204 0.799 6.899 1.00 0.00 C ATOM 291 O TYR A 22 -0.657 0.651 6.030 1.00 0.00 O ATOM 292 CB TYR A 22 0.243 2.331 8.876 1.00 0.00 C ATOM 293 CG TYR A 22 0.752 3.612 9.498 1.00 0.00 C ATOM 294 CD1 TYR A 22 0.065 4.808 9.332 1.00 0.00 C ATOM 295 CD2 TYR A 22 1.921 3.626 10.249 1.00 0.00 C ATOM 296 CE1 TYR A 22 0.527 5.981 9.898 1.00 0.00 C ATOM 297 CE2 TYR A 22 2.389 4.794 10.820 1.00 0.00 C ATOM 298 CZ TYR A 22 1.689 5.969 10.641 1.00 0.00 C ATOM 299 OH TYR A 22 2.153 7.134 11.206 1.00 0.00 O ATOM 0 H TYR A 22 -1.106 3.153 6.616 1.00 0.00 H new ATOM 0 HA TYR A 22 1.662 2.320 7.261 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.840 2.285 8.995 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.660 1.483 9.419 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.845 4.821 8.751 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.473 2.708 10.389 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.019 6.902 9.759 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.298 4.787 11.403 1.00 0.00 H new ATOM 0 HH TYR A 22 2.981 6.952 11.697 1.00 0.00 H new ATOM 309 N LEU A 23 0.848 -0.219 7.459 1.00 0.00 N ATOM 310 CA LEU A 23 0.575 -1.600 7.078 1.00 0.00 C ATOM 311 C LEU A 23 0.475 -2.495 8.309 1.00 0.00 C ATOM 312 O LEU A 23 1.387 -2.534 9.136 1.00 0.00 O ATOM 313 CB LEU A 23 1.670 -2.118 6.144 1.00 0.00 C ATOM 314 CG LEU A 23 1.775 -1.426 4.784 1.00 0.00 C ATOM 315 CD1 LEU A 23 3.047 -1.850 4.066 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.552 -1.735 3.933 1.00 0.00 C ATOM 0 H LEU A 23 1.563 -0.114 8.179 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.381 -1.625 6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.629 -2.022 6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.503 -3.182 5.976 1.00 0.00 H new ATOM 0 HG LEU A 23 1.817 -0.349 4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.104 -1.348 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.913 -1.578 4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.036 -2.929 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.644 -1.235 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.479 -2.811 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.344 -1.381 4.442 1.00 0.00 H new ATOM 328 N ARG A 24 -0.636 -3.215 8.423 1.00 0.00 N ATOM 329 CA ARG A 24 -0.854 -4.110 9.552 1.00 0.00 C ATOM 330 C ARG A 24 -1.104 -5.538 9.074 1.00 0.00 C ATOM 331 O ARG A 24 -1.378 -5.769 7.897 1.00 0.00 O ATOM 332 CB ARG A 24 -2.039 -3.628 10.392 1.00 0.00 C ATOM 333 CG ARG A 24 -2.309 -4.489 11.615 1.00 0.00 C ATOM 334 CD ARG A 24 -3.281 -3.813 12.569 1.00 0.00 C ATOM 335 NE ARG A 24 -3.220 -4.386 13.911 1.00 0.00 N ATOM 336 CZ ARG A 24 -4.131 -4.157 14.850 1.00 0.00 C ATOM 337 NH1 ARG A 24 -5.169 -3.373 14.594 1.00 0.00 N ATOM 338 NH2 ARG A 24 -4.006 -4.715 16.047 1.00 0.00 N ATOM 0 H ARG A 24 -1.399 -3.196 7.747 1.00 0.00 H new ATOM 0 HA ARG A 24 0.046 -4.103 10.167 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.853 -2.603 10.714 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.932 -3.609 9.767 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.715 -5.451 11.302 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.371 -4.692 12.133 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.057 -2.747 12.620 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.295 -3.908 12.180 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.435 -4.995 14.140 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.269 -2.944 13.674 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.867 -3.199 15.317 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.210 -5.320 16.247 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.706 -4.539 16.768 1.00 0.00 H new ATOM 352 N ALA A 25 -1.008 -6.490 9.995 1.00 0.00 N ATOM 353 CA ALA A 25 -1.224 -7.894 9.668 1.00 0.00 C ATOM 354 C ALA A 25 -2.699 -8.264 9.785 1.00 0.00 C ATOM 355 O ALA A 25 -3.210 -8.483 10.882 1.00 0.00 O ATOM 356 CB ALA A 25 -0.383 -8.783 10.572 1.00 0.00 C ATOM 0 H ALA A 25 -0.782 -6.315 10.974 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.917 -8.051 8.634 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.555 -9.828 10.316 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.672 -8.545 10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.663 -8.613 11.612 1.00 0.00 H new ATOM 362 N GLY A 26 -3.380 -8.330 8.644 1.00 0.00 N ATOM 363 CA GLY A 26 -4.790 -8.673 8.641 1.00 0.00 C ATOM 364 C GLY A 26 -5.026 -10.159 8.821 1.00 0.00 C ATOM 365 O GLY A 26 -4.182 -10.884 9.346 1.00 0.00 O ATOM 0 H GLY A 26 -2.980 -8.152 7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.295 -8.129 9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.238 -8.348 7.702 1.00 0.00 H new ATOM 369 N PRO A 27 -6.201 -10.633 8.380 1.00 0.00 N ATOM 370 CA PRO A 27 -6.574 -12.047 8.486 1.00 0.00 C ATOM 371 C PRO A 27 -5.754 -12.934 7.554 1.00 0.00 C ATOM 372 O PRO A 27 -4.711 -12.521 7.049 1.00 0.00 O ATOM 373 CB PRO A 27 -8.048 -12.057 8.074 1.00 0.00 C ATOM 374 CG PRO A 27 -8.206 -10.858 7.203 1.00 0.00 C ATOM 375 CD PRO A 27 -7.255 -9.826 7.744 1.00 0.00 C ATOM 0 HA PRO A 27 -6.394 -12.442 9.486 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.303 -12.972 7.539 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.703 -12.003 8.944 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.974 -11.096 6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.233 -10.492 7.225 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.854 -9.194 6.951 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.744 -9.166 8.461 1.00 0.00 H new ATOM 383 N GLU A 28 -6.235 -14.153 7.331 1.00 0.00 N ATOM 384 CA GLU A 28 -5.545 -15.097 6.459 1.00 0.00 C ATOM 385 C GLU A 28 -5.718 -14.711 4.993 1.00 0.00 C ATOM 386 O GLU A 28 -6.285 -15.468 4.205 1.00 0.00 O ATOM 387 CB GLU A 28 -6.071 -16.516 6.690 1.00 0.00 C ATOM 388 CG GLU A 28 -5.538 -17.163 7.957 1.00 0.00 C ATOM 389 CD GLU A 28 -4.221 -17.882 7.736 1.00 0.00 C ATOM 390 OE1 GLU A 28 -3.229 -17.207 7.391 1.00 0.00 O ATOM 391 OE2 GLU A 28 -4.184 -19.118 7.907 1.00 0.00 O ATOM 0 H GLU A 28 -7.098 -14.510 7.741 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.483 -15.066 6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.160 -16.488 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.804 -17.137 5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.406 -16.399 8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.275 -17.871 8.337 1.00 0.00 H new ATOM 398 N GLN A 29 -5.227 -13.529 4.637 1.00 0.00 N ATOM 399 CA GLN A 29 -5.328 -13.041 3.266 1.00 0.00 C ATOM 400 C GLN A 29 -4.003 -12.448 2.800 1.00 0.00 C ATOM 401 O GLN A 29 -3.680 -11.301 3.109 1.00 0.00 O ATOM 402 CB GLN A 29 -6.437 -11.993 3.156 1.00 0.00 C ATOM 403 CG GLN A 29 -7.834 -12.589 3.102 1.00 0.00 C ATOM 404 CD GLN A 29 -7.912 -13.814 2.213 1.00 0.00 C ATOM 405 OE1 GLN A 29 -7.390 -13.820 1.098 1.00 0.00 O ATOM 406 NE2 GLN A 29 -8.568 -14.860 2.702 1.00 0.00 N ATOM 0 H GLN A 29 -4.755 -12.891 5.278 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.572 -13.887 2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.372 -11.317 4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.272 -11.394 2.261 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.150 -12.856 4.110 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.532 -11.836 2.738 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.985 -14.811 3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.655 -15.712 2.148 1.00 0.00 H new ATOM 415 N LYS A 30 -3.237 -13.237 2.054 1.00 0.00 N ATOM 416 CA LYS A 30 -1.947 -12.791 1.543 1.00 0.00 C ATOM 417 C LYS A 30 -1.978 -11.303 1.210 1.00 0.00 C ATOM 418 O LYS A 30 -2.622 -10.886 0.249 1.00 0.00 O ATOM 419 CB LYS A 30 -1.562 -13.595 0.299 1.00 0.00 C ATOM 420 CG LYS A 30 -0.977 -14.961 0.614 1.00 0.00 C ATOM 421 CD LYS A 30 -2.025 -15.896 1.193 1.00 0.00 C ATOM 422 CE LYS A 30 -2.075 -15.805 2.711 1.00 0.00 C ATOM 423 NZ LYS A 30 -1.048 -16.670 3.353 1.00 0.00 N ATOM 0 H LYS A 30 -3.488 -14.190 1.790 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.201 -12.956 2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.444 -13.723 -0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.838 -13.024 -0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.560 -15.397 -0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.155 -14.852 1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.003 -15.649 0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.804 -16.921 0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.922 -14.770 3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.065 -16.097 3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.115 -16.580 4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.209 -17.661 3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.101 -16.375 3.040 1.00 0.00 H new ATOM 437 N GLY A 31 -1.276 -10.507 2.012 1.00 0.00 N ATOM 438 CA GLY A 31 -1.237 -9.074 1.784 1.00 0.00 C ATOM 439 C GLY A 31 -1.216 -8.282 3.077 1.00 0.00 C ATOM 440 O GLY A 31 -1.343 -8.850 4.161 1.00 0.00 O ATOM 0 H GLY A 31 -0.734 -10.829 2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.353 -8.827 1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.105 -8.779 1.195 1.00 0.00 H new ATOM 444 N GLN A 32 -1.053 -6.968 2.961 1.00 0.00 N ATOM 445 CA GLN A 32 -1.013 -6.098 4.131 1.00 0.00 C ATOM 446 C GLN A 32 -2.176 -5.112 4.115 1.00 0.00 C ATOM 447 O GLN A 32 -2.535 -4.577 3.065 1.00 0.00 O ATOM 448 CB GLN A 32 0.314 -5.340 4.183 1.00 0.00 C ATOM 449 CG GLN A 32 1.534 -6.239 4.064 1.00 0.00 C ATOM 450 CD GLN A 32 1.473 -7.432 4.996 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.203 -8.555 4.570 1.00 0.00 O ATOM 452 NE2 GLN A 32 1.725 -7.195 6.279 1.00 0.00 N ATOM 0 H GLN A 32 -0.947 -6.483 2.070 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.102 -6.722 5.021 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.335 -4.605 3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.371 -4.787 5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.623 -6.590 3.036 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.431 -5.659 4.281 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.945 -6.248 6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.699 -7.960 6.954 1.00 0.00 H new ATOM 461 N ILE A 33 -2.761 -4.876 5.285 1.00 0.00 N ATOM 462 CA ILE A 33 -3.883 -3.953 5.405 1.00 0.00 C ATOM 463 C ILE A 33 -3.403 -2.544 5.737 1.00 0.00 C ATOM 464 O ILE A 33 -2.439 -2.366 6.483 1.00 0.00 O ATOM 465 CB ILE A 33 -4.877 -4.413 6.487 1.00 0.00 C ATOM 466 CG1 ILE A 33 -5.264 -5.876 6.266 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.112 -3.525 6.484 1.00 0.00 C ATOM 468 CD1 ILE A 33 -6.400 -6.341 7.151 1.00 0.00 C ATOM 0 H ILE A 33 -2.477 -5.311 6.163 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.388 -3.944 4.439 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.396 -4.328 7.461 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.547 -6.015 5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.392 -6.505 6.447 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.805 -3.863 7.254 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.820 -2.494 6.686 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.597 -3.580 5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.621 -7.387 6.940 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.113 -6.234 8.197 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.285 -5.737 6.954 1.00 0.00 H new ATOM 480 N ILE A 34 -4.081 -1.547 5.180 1.00 0.00 N ATOM 481 CA ILE A 34 -3.726 -0.154 5.419 1.00 0.00 C ATOM 482 C ILE A 34 -4.630 0.470 6.476 1.00 0.00 C ATOM 483 O ILE A 34 -5.821 0.168 6.548 1.00 0.00 O ATOM 484 CB ILE A 34 -3.814 0.680 4.127 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.806 0.170 3.095 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.573 2.151 4.429 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.915 0.858 1.752 1.00 0.00 C ATOM 0 H ILE A 34 -4.880 -1.678 4.560 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.696 -0.148 5.776 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.816 0.574 3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.798 0.309 3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.950 -0.902 2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.638 2.727 3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.326 2.506 5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.582 2.275 4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.170 0.446 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.912 0.697 1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.742 1.927 1.876 1.00 0.00 H new ATOM 499 N LYS A 35 -4.056 1.345 7.296 1.00 0.00 N ATOM 500 CA LYS A 35 -4.810 2.016 8.349 1.00 0.00 C ATOM 501 C LYS A 35 -4.014 3.180 8.930 1.00 0.00 C ATOM 502 O LYS A 35 -2.808 3.292 8.708 1.00 0.00 O ATOM 503 CB LYS A 35 -5.168 1.025 9.458 1.00 0.00 C ATOM 504 CG LYS A 35 -4.014 0.126 9.867 1.00 0.00 C ATOM 505 CD LYS A 35 -4.377 -0.739 11.063 1.00 0.00 C ATOM 506 CE LYS A 35 -5.755 -1.362 10.903 1.00 0.00 C ATOM 507 NZ LYS A 35 -6.831 -0.468 11.412 1.00 0.00 N ATOM 0 H LYS A 35 -3.071 1.606 7.251 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.728 2.409 7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.513 1.579 10.331 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.000 0.405 9.125 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.733 -0.511 9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.144 0.737 10.109 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.633 -1.526 11.183 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.353 -0.136 11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.934 -1.582 9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.789 -2.311 11.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.411 -0.983 12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.405 0.364 11.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.430 -0.159 10.620 1.00 0.00 H new ATOM 521 N ASP A 36 -4.696 4.043 9.674 1.00 0.00 N ATOM 522 CA ASP A 36 -4.052 5.198 10.290 1.00 0.00 C ATOM 523 C ASP A 36 -3.617 6.206 9.231 1.00 0.00 C ATOM 524 O ASP A 36 -2.578 6.852 9.365 1.00 0.00 O ATOM 525 CB ASP A 36 -2.844 4.755 11.116 1.00 0.00 C ATOM 526 CG ASP A 36 -3.180 3.629 12.075 1.00 0.00 C ATOM 527 OD1 ASP A 36 -4.328 3.589 12.564 1.00 0.00 O ATOM 528 OD2 ASP A 36 -2.294 2.788 12.335 1.00 0.00 O ATOM 0 H ASP A 36 -5.695 3.965 9.866 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.776 5.678 10.948 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.048 4.432 10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.461 5.606 11.679 1.00 0.00 H new ATOM 533 N ILE A 37 -4.418 6.334 8.178 1.00 0.00 N ATOM 534 CA ILE A 37 -4.116 7.263 7.097 1.00 0.00 C ATOM 535 C ILE A 37 -4.125 8.705 7.593 1.00 0.00 C ATOM 536 O ILE A 37 -5.024 9.113 8.326 1.00 0.00 O ATOM 537 CB ILE A 37 -5.120 7.124 5.938 1.00 0.00 C ATOM 538 CG1 ILE A 37 -4.875 5.821 5.174 1.00 0.00 C ATOM 539 CG2 ILE A 37 -5.019 8.320 5.003 1.00 0.00 C ATOM 540 CD1 ILE A 37 -5.911 5.540 4.109 1.00 0.00 C ATOM 0 H ILE A 37 -5.281 5.806 8.051 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.119 7.012 6.735 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.128 7.095 6.352 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.890 5.862 4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.859 4.992 5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.735 8.207 4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.239 9.233 5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.010 8.378 4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.673 4.601 3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.896 5.466 4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.912 6.350 3.379 1.00 0.00 H new ATOM 552 N GLU A 38 -3.118 9.472 7.184 1.00 0.00 N ATOM 553 CA GLU A 38 -3.011 10.869 7.587 1.00 0.00 C ATOM 554 C GLU A 38 -3.766 11.774 6.617 1.00 0.00 C ATOM 555 O GLU A 38 -3.806 11.535 5.410 1.00 0.00 O ATOM 556 CB GLU A 38 -1.543 11.292 7.657 1.00 0.00 C ATOM 557 CG GLU A 38 -0.769 10.620 8.780 1.00 0.00 C ATOM 558 CD GLU A 38 -1.247 9.207 9.053 1.00 0.00 C ATOM 559 OE1 GLU A 38 -1.151 8.361 8.141 1.00 0.00 O ATOM 560 OE2 GLU A 38 -1.717 8.948 10.181 1.00 0.00 O ATOM 0 H GLU A 38 -2.366 9.149 6.575 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.458 10.970 8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.061 11.062 6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.491 12.373 7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.290 10.598 8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.865 11.214 9.689 1.00 0.00 H new ATOM 567 N PRO A 39 -4.380 12.837 7.156 1.00 0.00 N ATOM 568 CA PRO A 39 -5.145 13.799 6.357 1.00 0.00 C ATOM 569 C PRO A 39 -4.251 14.648 5.459 1.00 0.00 C ATOM 570 O PRO A 39 -3.135 15.003 5.835 1.00 0.00 O ATOM 571 CB PRO A 39 -5.827 14.674 7.412 1.00 0.00 C ATOM 572 CG PRO A 39 -4.951 14.572 8.613 1.00 0.00 C ATOM 573 CD PRO A 39 -4.374 13.183 8.588 1.00 0.00 C ATOM 0 HA PRO A 39 -5.840 13.304 5.679 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.915 15.706 7.073 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.836 14.321 7.627 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.162 15.323 8.585 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.520 14.742 9.527 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.366 13.159 9.003 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.976 12.487 9.172 1.00 0.00 H new ATOM 581 N GLY A 40 -4.750 14.970 4.269 1.00 0.00 N ATOM 582 CA GLY A 40 -3.983 15.774 3.336 1.00 0.00 C ATOM 583 C GLY A 40 -2.589 15.224 3.106 1.00 0.00 C ATOM 584 O GLY A 40 -1.689 15.951 2.686 1.00 0.00 O ATOM 0 H GLY A 40 -5.672 14.688 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.512 15.824 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.910 16.794 3.714 1.00 0.00 H new ATOM 588 N SER A 41 -2.410 13.936 3.383 1.00 0.00 N ATOM 589 CA SER A 41 -1.114 13.290 3.208 1.00 0.00 C ATOM 590 C SER A 41 -1.007 12.652 1.826 1.00 0.00 C ATOM 591 O SER A 41 -2.007 12.350 1.175 1.00 0.00 O ATOM 592 CB SER A 41 -0.899 12.230 4.290 1.00 0.00 C ATOM 593 OG SER A 41 -1.488 10.995 3.918 1.00 0.00 O ATOM 0 H SER A 41 -3.145 13.320 3.729 1.00 0.00 H new ATOM 0 HA SER A 41 -0.340 14.053 3.298 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.169 12.091 4.460 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.330 12.573 5.231 1.00 0.00 H new ATOM 0 HG SER A 41 -2.379 10.923 4.320 1.00 0.00 H new ATOM 599 N PRO A 42 0.236 12.442 1.367 1.00 0.00 N ATOM 600 CA PRO A 42 0.505 11.838 0.059 1.00 0.00 C ATOM 601 C PRO A 42 -0.315 10.574 -0.175 1.00 0.00 C ATOM 602 O PRO A 42 -0.634 10.232 -1.314 1.00 0.00 O ATOM 603 CB PRO A 42 1.997 11.503 0.123 1.00 0.00 C ATOM 604 CG PRO A 42 2.560 12.470 1.106 1.00 0.00 C ATOM 605 CD PRO A 42 1.474 12.778 2.090 1.00 0.00 C ATOM 0 HA PRO A 42 0.239 12.505 -0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.158 10.474 0.443 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.469 11.611 -0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.428 12.046 1.610 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.895 13.378 0.605 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.579 12.186 2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.491 13.826 2.388 1.00 0.00 H new ATOM 613 N ALA A 43 -0.654 9.884 0.909 1.00 0.00 N ATOM 614 CA ALA A 43 -1.439 8.659 0.821 1.00 0.00 C ATOM 615 C ALA A 43 -2.911 8.967 0.568 1.00 0.00 C ATOM 616 O ALA A 43 -3.551 8.336 -0.272 1.00 0.00 O ATOM 617 CB ALA A 43 -1.281 7.838 2.092 1.00 0.00 C ATOM 0 H ALA A 43 -0.397 10.153 1.859 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.066 8.078 -0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.873 6.926 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.231 7.578 2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.626 8.420 2.947 1.00 0.00 H new ATOM 623 N GLU A 44 -3.441 9.942 1.300 1.00 0.00 N ATOM 624 CA GLU A 44 -4.839 10.332 1.155 1.00 0.00 C ATOM 625 C GLU A 44 -5.091 10.952 -0.216 1.00 0.00 C ATOM 626 O GLU A 44 -6.104 10.675 -0.858 1.00 0.00 O ATOM 627 CB GLU A 44 -5.233 11.320 2.255 1.00 0.00 C ATOM 628 CG GLU A 44 -6.592 11.963 2.036 1.00 0.00 C ATOM 629 CD GLU A 44 -6.582 12.979 0.910 1.00 0.00 C ATOM 630 OE1 GLU A 44 -5.842 13.979 1.020 1.00 0.00 O ATOM 631 OE2 GLU A 44 -7.315 12.774 -0.080 1.00 0.00 O ATOM 0 H GLU A 44 -2.924 10.476 1.999 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.451 9.435 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.236 10.801 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.476 12.102 2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.325 11.188 1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.912 12.450 2.957 1.00 0.00 H new ATOM 638 N ALA A 45 -4.162 11.794 -0.658 1.00 0.00 N ATOM 639 CA ALA A 45 -4.281 12.453 -1.952 1.00 0.00 C ATOM 640 C ALA A 45 -4.076 11.463 -3.094 1.00 0.00 C ATOM 641 O ALA A 45 -4.622 11.635 -4.183 1.00 0.00 O ATOM 642 CB ALA A 45 -3.283 13.596 -2.057 1.00 0.00 C ATOM 0 H ALA A 45 -3.318 12.035 -0.138 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.290 12.858 -2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.384 14.079 -3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.478 14.323 -1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.271 13.206 -1.949 1.00 0.00 H new ATOM 648 N ALA A 46 -3.284 10.427 -2.837 1.00 0.00 N ATOM 649 CA ALA A 46 -3.008 9.409 -3.843 1.00 0.00 C ATOM 650 C ALA A 46 -4.276 8.650 -4.219 1.00 0.00 C ATOM 651 O ALA A 46 -4.430 8.204 -5.355 1.00 0.00 O ATOM 652 CB ALA A 46 -1.944 8.444 -3.339 1.00 0.00 C ATOM 0 H ALA A 46 -2.822 10.271 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.636 9.909 -4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.748 7.689 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.026 8.993 -3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.295 7.958 -2.428 1.00 0.00 H new ATOM 658 N GLY A 47 -5.183 8.508 -3.257 1.00 0.00 N ATOM 659 CA GLY A 47 -6.426 7.803 -3.507 1.00 0.00 C ATOM 660 C GLY A 47 -6.569 6.559 -2.653 1.00 0.00 C ATOM 661 O GLY A 47 -7.542 5.815 -2.784 1.00 0.00 O ATOM 0 H GLY A 47 -5.079 8.869 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.265 8.472 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.477 7.525 -4.560 1.00 0.00 H new ATOM 665 N LEU A 48 -5.597 6.330 -1.777 1.00 0.00 N ATOM 666 CA LEU A 48 -5.618 5.166 -0.898 1.00 0.00 C ATOM 667 C LEU A 48 -6.961 5.045 -0.186 1.00 0.00 C ATOM 668 O LEU A 48 -7.861 5.860 -0.390 1.00 0.00 O ATOM 669 CB LEU A 48 -4.489 5.259 0.131 1.00 0.00 C ATOM 670 CG LEU A 48 -3.155 4.634 -0.279 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.200 4.591 0.904 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.370 3.238 -0.845 1.00 0.00 C ATOM 0 H LEU A 48 -4.785 6.935 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.471 4.276 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.319 6.311 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.823 4.782 1.052 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.710 5.254 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.256 4.143 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.020 5.604 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.639 3.995 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.409 2.809 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.838 2.607 -0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.017 3.296 -1.721 1.00 0.00 H new ATOM 684 N LYS A 49 -7.090 4.023 0.654 1.00 0.00 N ATOM 685 CA LYS A 49 -8.322 3.796 1.400 1.00 0.00 C ATOM 686 C LYS A 49 -8.087 2.828 2.556 1.00 0.00 C ATOM 687 O LYS A 49 -7.496 1.764 2.376 1.00 0.00 O ATOM 688 CB LYS A 49 -9.409 3.247 0.474 1.00 0.00 C ATOM 689 CG LYS A 49 -10.042 4.304 -0.415 1.00 0.00 C ATOM 690 CD LYS A 49 -11.482 3.958 -0.754 1.00 0.00 C ATOM 691 CE LYS A 49 -12.224 5.158 -1.322 1.00 0.00 C ATOM 692 NZ LYS A 49 -12.683 6.084 -0.250 1.00 0.00 N ATOM 0 H LYS A 49 -6.356 3.339 0.835 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.651 4.751 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.979 2.466 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.187 2.779 1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.008 5.271 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.464 4.401 -1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.501 3.142 -1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.993 3.603 0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.572 5.695 -2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.083 4.814 -1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.184 6.889 -0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.325 5.579 0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.861 6.432 0.284 1.00 0.00 H new ATOM 706 N ASN A 50 -8.555 3.204 3.741 1.00 0.00 N ATOM 707 CA ASN A 50 -8.397 2.369 4.926 1.00 0.00 C ATOM 708 C ASN A 50 -8.904 0.954 4.665 1.00 0.00 C ATOM 709 O ASN A 50 -9.870 0.756 3.929 1.00 0.00 O ATOM 710 CB ASN A 50 -9.146 2.981 6.111 1.00 0.00 C ATOM 711 CG ASN A 50 -8.735 4.417 6.376 1.00 0.00 C ATOM 712 OD1 ASN A 50 -9.534 5.341 6.223 1.00 0.00 O ATOM 713 ND2 ASN A 50 -7.483 4.610 6.774 1.00 0.00 N ATOM 0 H ASN A 50 -9.047 4.082 3.907 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.335 2.317 5.165 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.218 2.942 5.919 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.960 2.382 7.003 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.149 5.554 6.966 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.855 3.814 6.887 1.00 0.00 H new ATOM 720 N ASN A 51 -8.246 -0.027 5.275 1.00 0.00 N ATOM 721 CA ASN A 51 -8.630 -1.424 5.110 1.00 0.00 C ATOM 722 C ASN A 51 -8.276 -1.923 3.712 1.00 0.00 C ATOM 723 O ASN A 51 -8.927 -2.822 3.179 1.00 0.00 O ATOM 724 CB ASN A 51 -10.130 -1.595 5.359 1.00 0.00 C ATOM 725 CG ASN A 51 -10.596 -0.866 6.605 1.00 0.00 C ATOM 726 OD1 ASN A 51 -10.292 0.311 6.799 1.00 0.00 O ATOM 727 ND2 ASN A 51 -11.337 -1.565 7.457 1.00 0.00 N ATOM 0 H ASN A 51 -7.444 0.120 5.888 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.077 -2.016 5.840 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.683 -1.224 4.496 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.361 -2.656 5.454 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.679 -1.128 8.313 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.565 -2.539 7.255 1.00 0.00 H new ATOM 734 N ASP A 52 -7.240 -1.335 3.125 1.00 0.00 N ATOM 735 CA ASP A 52 -6.797 -1.720 1.790 1.00 0.00 C ATOM 736 C ASP A 52 -5.731 -2.808 1.865 1.00 0.00 C ATOM 737 O ASP A 52 -4.678 -2.620 2.476 1.00 0.00 O ATOM 738 CB ASP A 52 -6.252 -0.505 1.039 1.00 0.00 C ATOM 739 CG ASP A 52 -7.326 0.219 0.251 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.521 -0.078 0.465 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.973 1.083 -0.578 1.00 0.00 O ATOM 0 H ASP A 52 -6.691 -0.589 3.553 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.657 -2.115 1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.800 0.186 1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.462 -0.826 0.360 1.00 0.00 H new ATOM 746 N LEU A 53 -6.010 -3.947 1.240 1.00 0.00 N ATOM 747 CA LEU A 53 -5.075 -5.067 1.236 1.00 0.00 C ATOM 748 C LEU A 53 -4.147 -4.998 0.027 1.00 0.00 C ATOM 749 O LEU A 53 -4.589 -5.124 -1.115 1.00 0.00 O ATOM 750 CB LEU A 53 -5.837 -6.393 1.234 1.00 0.00 C ATOM 751 CG LEU A 53 -4.983 -7.658 1.331 1.00 0.00 C ATOM 752 CD1 LEU A 53 -4.414 -8.024 -0.031 1.00 0.00 C ATOM 753 CD2 LEU A 53 -3.864 -7.469 2.345 1.00 0.00 C ATOM 0 H LEU A 53 -6.876 -4.119 0.730 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.469 -5.005 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.538 -6.387 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.429 -6.448 0.320 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.618 -8.477 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.809 -8.926 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.231 -8.202 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.794 -7.206 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.266 -8.379 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.231 -6.637 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.293 -7.255 3.324 1.00 0.00 H new ATOM 765 N VAL A 54 -2.859 -4.797 0.287 1.00 0.00 N ATOM 766 CA VAL A 54 -1.868 -4.715 -0.780 1.00 0.00 C ATOM 767 C VAL A 54 -1.281 -6.087 -1.092 1.00 0.00 C ATOM 768 O VAL A 54 -0.746 -6.760 -0.211 1.00 0.00 O ATOM 769 CB VAL A 54 -0.725 -3.751 -0.410 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.292 -3.671 -1.539 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.277 -2.373 -0.080 1.00 0.00 C ATOM 0 H VAL A 54 -2.477 -4.688 1.227 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.383 -4.335 -1.662 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.220 -4.136 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.092 -2.985 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.710 -4.661 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.197 -3.309 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.456 -1.705 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.808 -1.977 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.963 -2.448 0.763 1.00 0.00 H new ATOM 781 N VAL A 55 -1.383 -6.496 -2.352 1.00 0.00 N ATOM 782 CA VAL A 55 -0.861 -7.787 -2.782 1.00 0.00 C ATOM 783 C VAL A 55 0.500 -7.634 -3.452 1.00 0.00 C ATOM 784 O VAL A 55 1.301 -8.568 -3.473 1.00 0.00 O ATOM 785 CB VAL A 55 -1.825 -8.486 -3.759 1.00 0.00 C ATOM 786 CG1 VAL A 55 -2.982 -9.122 -3.003 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.335 -7.501 -4.800 1.00 0.00 C ATOM 0 H VAL A 55 -1.823 -5.951 -3.094 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.756 -8.399 -1.886 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.281 -9.277 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.653 -9.611 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.595 -9.859 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.528 -8.352 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.015 -8.012 -5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.863 -6.687 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.493 -7.097 -5.362 1.00 0.00 H new ATOM 797 N ALA A 56 0.755 -6.449 -3.997 1.00 0.00 N ATOM 798 CA ALA A 56 2.021 -6.173 -4.666 1.00 0.00 C ATOM 799 C ALA A 56 2.468 -4.735 -4.421 1.00 0.00 C ATOM 800 O ALA A 56 1.647 -3.855 -4.162 1.00 0.00 O ATOM 801 CB ALA A 56 1.900 -6.443 -6.158 1.00 0.00 C ATOM 0 H ALA A 56 0.102 -5.665 -3.989 1.00 0.00 H new ATOM 0 HA ALA A 56 2.777 -6.838 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.853 -6.233 -6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.634 -7.488 -6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.127 -5.802 -6.582 1.00 0.00 H new ATOM 807 N VAL A 57 3.774 -4.505 -4.505 1.00 0.00 N ATOM 808 CA VAL A 57 4.330 -3.174 -4.294 1.00 0.00 C ATOM 809 C VAL A 57 5.461 -2.888 -5.275 1.00 0.00 C ATOM 810 O VAL A 57 6.466 -3.597 -5.303 1.00 0.00 O ATOM 811 CB VAL A 57 4.859 -3.008 -2.856 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.536 -1.657 -2.688 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.729 -3.176 -1.851 1.00 0.00 C ATOM 0 H VAL A 57 4.467 -5.223 -4.718 1.00 0.00 H new ATOM 0 HA VAL A 57 3.520 -2.463 -4.460 1.00 0.00 H new ATOM 0 HB VAL A 57 5.601 -3.784 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.903 -1.558 -1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.372 -1.580 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.819 -0.862 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.120 -3.056 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.963 -2.423 -2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.294 -4.170 -1.956 1.00 0.00 H new ATOM 823 N ASN A 58 5.290 -1.844 -6.079 1.00 0.00 N ATOM 824 CA ASN A 58 6.297 -1.464 -7.064 1.00 0.00 C ATOM 825 C ASN A 58 6.499 -2.573 -8.091 1.00 0.00 C ATOM 826 O ASN A 58 7.600 -2.763 -8.607 1.00 0.00 O ATOM 827 CB ASN A 58 7.624 -1.148 -6.370 1.00 0.00 C ATOM 828 CG ASN A 58 7.732 0.310 -5.967 1.00 0.00 C ATOM 829 OD1 ASN A 58 7.184 1.191 -6.630 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.443 0.571 -4.876 1.00 0.00 N ATOM 0 H ASN A 58 4.464 -1.246 -6.068 1.00 0.00 H new ATOM 0 HA ASN A 58 5.944 -0.573 -7.583 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.726 -1.776 -5.485 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.449 -1.400 -7.037 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.552 1.534 -4.557 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.880 -0.191 -4.357 1.00 0.00 H new ATOM 837 N GLY A 59 5.427 -3.303 -8.385 1.00 0.00 N ATOM 838 CA GLY A 59 5.508 -4.384 -9.350 1.00 0.00 C ATOM 839 C GLY A 59 6.223 -5.602 -8.798 1.00 0.00 C ATOM 840 O GLY A 59 6.836 -6.364 -9.547 1.00 0.00 O ATOM 0 H GLY A 59 4.504 -3.165 -7.972 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.502 -4.667 -9.660 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.029 -4.033 -10.241 1.00 0.00 H new ATOM 844 N LYS A 60 6.149 -5.785 -7.485 1.00 0.00 N ATOM 845 CA LYS A 60 6.794 -6.918 -6.832 1.00 0.00 C ATOM 846 C LYS A 60 5.832 -7.617 -5.877 1.00 0.00 C ATOM 847 O LYS A 60 4.964 -6.980 -5.279 1.00 0.00 O ATOM 848 CB LYS A 60 8.038 -6.453 -6.071 1.00 0.00 C ATOM 849 CG LYS A 60 9.196 -6.067 -6.975 1.00 0.00 C ATOM 850 CD LYS A 60 10.535 -6.320 -6.304 1.00 0.00 C ATOM 851 CE LYS A 60 11.634 -5.460 -6.910 1.00 0.00 C ATOM 852 NZ LYS A 60 11.994 -5.908 -8.284 1.00 0.00 N ATOM 0 H LYS A 60 5.648 -5.163 -6.851 1.00 0.00 H new ATOM 0 HA LYS A 60 7.091 -7.629 -7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.774 -5.598 -5.448 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.362 -7.249 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.140 -6.636 -7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.115 -5.013 -7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.454 -6.110 -5.237 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.799 -7.373 -6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.307 -4.421 -6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.517 -5.497 -6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.746 -5.297 -8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.330 -6.892 -8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.157 -5.849 -8.899 1.00 0.00 H new ATOM 866 N SER A 61 5.993 -8.929 -5.737 1.00 0.00 N ATOM 867 CA SER A 61 5.137 -9.714 -4.856 1.00 0.00 C ATOM 868 C SER A 61 5.488 -9.464 -3.392 1.00 0.00 C ATOM 869 O SER A 61 6.614 -9.713 -2.961 1.00 0.00 O ATOM 870 CB SER A 61 5.269 -11.204 -5.176 1.00 0.00 C ATOM 871 OG SER A 61 4.970 -11.461 -6.537 1.00 0.00 O ATOM 0 H SER A 61 6.708 -9.470 -6.222 1.00 0.00 H new ATOM 0 HA SER A 61 4.105 -9.404 -5.022 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.282 -11.539 -4.953 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.596 -11.777 -4.538 1.00 0.00 H new ATOM 0 HG SER A 61 5.063 -12.420 -6.717 1.00 0.00 H new ATOM 877 N VAL A 62 4.516 -8.969 -2.633 1.00 0.00 N ATOM 878 CA VAL A 62 4.721 -8.686 -1.217 1.00 0.00 C ATOM 879 C VAL A 62 3.728 -9.457 -0.353 1.00 0.00 C ATOM 880 O VAL A 62 3.979 -9.703 0.826 1.00 0.00 O ATOM 881 CB VAL A 62 4.582 -7.181 -0.921 1.00 0.00 C ATOM 882 CG1 VAL A 62 5.222 -6.357 -2.027 1.00 0.00 C ATOM 883 CG2 VAL A 62 3.118 -6.806 -0.744 1.00 0.00 C ATOM 0 H VAL A 62 3.579 -8.756 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 62 5.734 -9.005 -0.973 1.00 0.00 H new ATOM 0 HB VAL A 62 5.105 -6.962 0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.114 -5.296 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.281 -6.606 -2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.731 -6.577 -2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.038 -5.739 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.570 -7.039 -1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.696 -7.371 0.087 1.00 0.00 H new ATOM 893 N GLU A 63 2.602 -9.835 -0.949 1.00 0.00 N ATOM 894 CA GLU A 63 1.572 -10.577 -0.233 1.00 0.00 C ATOM 895 C GLU A 63 2.155 -11.830 0.415 1.00 0.00 C ATOM 896 O GLU A 63 1.669 -12.292 1.446 1.00 0.00 O ATOM 897 CB GLU A 63 0.436 -10.963 -1.183 1.00 0.00 C ATOM 898 CG GLU A 63 0.702 -12.241 -1.962 1.00 0.00 C ATOM 899 CD GLU A 63 1.776 -12.068 -3.018 1.00 0.00 C ATOM 900 OE1 GLU A 63 2.343 -10.959 -3.112 1.00 0.00 O ATOM 901 OE2 GLU A 63 2.049 -13.042 -3.751 1.00 0.00 O ATOM 0 H GLU A 63 2.380 -9.640 -1.925 1.00 0.00 H new ATOM 0 HA GLU A 63 1.176 -9.933 0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.482 -11.082 -0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.268 -10.147 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.002 -13.028 -1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.221 -12.570 -2.439 1.00 0.00 H new ATOM 908 N ALA A 64 3.201 -12.374 -0.199 1.00 0.00 N ATOM 909 CA ALA A 64 3.852 -13.572 0.317 1.00 0.00 C ATOM 910 C ALA A 64 4.819 -13.228 1.445 1.00 0.00 C ATOM 911 O ALA A 64 5.194 -14.090 2.240 1.00 0.00 O ATOM 912 CB ALA A 64 4.580 -14.301 -0.802 1.00 0.00 C ATOM 0 H ALA A 64 3.616 -12.004 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 64 3.082 -14.229 0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.061 -15.193 -0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.866 -14.589 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.335 -13.644 -1.233 1.00 0.00 H new ATOM 918 N LEU A 65 5.221 -11.963 1.508 1.00 0.00 N ATOM 919 CA LEU A 65 6.146 -11.504 2.538 1.00 0.00 C ATOM 920 C LEU A 65 5.411 -11.230 3.847 1.00 0.00 C ATOM 921 O LEU A 65 4.185 -11.324 3.913 1.00 0.00 O ATOM 922 CB LEU A 65 6.873 -10.241 2.074 1.00 0.00 C ATOM 923 CG LEU A 65 8.173 -10.461 1.301 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.662 -9.155 0.695 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.238 -11.062 2.207 1.00 0.00 C ATOM 0 H LEU A 65 4.921 -11.237 0.858 1.00 0.00 H new ATOM 0 HA LEU A 65 6.878 -12.293 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.193 -9.665 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.093 -9.630 2.950 1.00 0.00 H new ATOM 0 HG LEU A 65 7.976 -11.163 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.588 -9.332 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.907 -8.765 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.842 -8.430 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.156 -11.212 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.432 -10.385 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.889 -12.020 2.592 1.00 0.00 H new ATOM 937 N ASP A 66 6.168 -10.889 4.884 1.00 0.00 N ATOM 938 CA ASP A 66 5.589 -10.597 6.190 1.00 0.00 C ATOM 939 C ASP A 66 5.649 -9.102 6.489 1.00 0.00 C ATOM 940 O ASP A 66 6.244 -8.331 5.736 1.00 0.00 O ATOM 941 CB ASP A 66 6.320 -11.379 7.282 1.00 0.00 C ATOM 942 CG ASP A 66 5.486 -11.537 8.538 1.00 0.00 C ATOM 943 OD1 ASP A 66 4.423 -12.188 8.466 1.00 0.00 O ATOM 944 OD2 ASP A 66 5.896 -11.010 9.594 1.00 0.00 O ATOM 0 H ASP A 66 7.184 -10.808 4.846 1.00 0.00 H new ATOM 0 HA ASP A 66 4.543 -10.904 6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.588 -12.364 6.901 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.251 -10.868 7.529 1.00 0.00 H new ATOM 949 N HIS A 67 5.029 -8.700 7.594 1.00 0.00 N ATOM 950 CA HIS A 67 5.012 -7.297 7.993 1.00 0.00 C ATOM 951 C HIS A 67 6.319 -6.608 7.614 1.00 0.00 C ATOM 952 O HIS A 67 6.332 -5.687 6.797 1.00 0.00 O ATOM 953 CB HIS A 67 4.776 -7.176 9.499 1.00 0.00 C ATOM 954 CG HIS A 67 4.844 -5.768 10.005 1.00 0.00 C ATOM 955 ND1 HIS A 67 3.836 -5.185 10.744 1.00 0.00 N ATOM 956 CD2 HIS A 67 5.807 -4.826 9.875 1.00 0.00 C ATOM 957 CE1 HIS A 67 4.176 -3.944 11.046 1.00 0.00 C ATOM 958 NE2 HIS A 67 5.368 -3.702 10.531 1.00 0.00 N ATOM 0 H HIS A 67 4.532 -9.325 8.229 1.00 0.00 H new ATOM 0 HA HIS A 67 4.196 -6.805 7.464 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.798 -7.593 9.740 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.517 -7.778 10.024 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.746 -4.937 9.353 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.581 -3.247 11.617 1.00 0.00 H new ATOM 0 HE2 HIS A 67 5.880 -2.823 10.608 1.00 0.00 H new ATOM 967 N ASP A 68 7.415 -7.060 8.212 1.00 0.00 N ATOM 968 CA ASP A 68 8.728 -6.487 7.936 1.00 0.00 C ATOM 969 C ASP A 68 9.051 -6.560 6.447 1.00 0.00 C ATOM 970 O ASP A 68 9.464 -5.572 5.842 1.00 0.00 O ATOM 971 CB ASP A 68 9.805 -7.216 8.741 1.00 0.00 C ATOM 972 CG ASP A 68 9.411 -7.413 10.192 1.00 0.00 C ATOM 973 OD1 ASP A 68 8.757 -8.433 10.496 1.00 0.00 O ATOM 974 OD2 ASP A 68 9.756 -6.548 11.023 1.00 0.00 O ATOM 0 H ASP A 68 7.421 -7.821 8.891 1.00 0.00 H new ATOM 0 HA ASP A 68 8.710 -5.439 8.234 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.000 -8.187 8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.735 -6.650 8.694 1.00 0.00 H new ATOM 979 N GLY A 69 8.861 -7.739 5.863 1.00 0.00 N ATOM 980 CA GLY A 69 9.138 -7.920 4.450 1.00 0.00 C ATOM 981 C GLY A 69 8.458 -6.875 3.587 1.00 0.00 C ATOM 982 O GLY A 69 9.123 -6.059 2.948 1.00 0.00 O ATOM 0 H GLY A 69 8.520 -8.572 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.215 -7.878 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.807 -8.912 4.142 1.00 0.00 H new ATOM 986 N VAL A 70 7.129 -6.900 3.567 1.00 0.00 N ATOM 987 CA VAL A 70 6.359 -5.948 2.776 1.00 0.00 C ATOM 988 C VAL A 70 6.791 -4.515 3.067 1.00 0.00 C ATOM 989 O VAL A 70 7.327 -3.828 2.197 1.00 0.00 O ATOM 990 CB VAL A 70 4.849 -6.083 3.049 1.00 0.00 C ATOM 991 CG1 VAL A 70 4.061 -5.107 2.189 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.390 -7.513 2.805 1.00 0.00 C ATOM 0 H VAL A 70 6.564 -7.569 4.090 1.00 0.00 H new ATOM 0 HA VAL A 70 6.553 -6.177 1.728 1.00 0.00 H new ATOM 0 HB VAL A 70 4.663 -5.839 4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.996 -5.217 2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.372 -4.088 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.249 -5.316 1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.321 -7.591 3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.588 -7.787 1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.931 -8.187 3.469 1.00 0.00 H new ATOM 1002 N VAL A 71 6.554 -4.070 4.296 1.00 0.00 N ATOM 1003 CA VAL A 71 6.920 -2.718 4.703 1.00 0.00 C ATOM 1004 C VAL A 71 8.276 -2.320 4.132 1.00 0.00 C ATOM 1005 O VAL A 71 8.468 -1.185 3.697 1.00 0.00 O ATOM 1006 CB VAL A 71 6.964 -2.587 6.237 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.621 -1.276 6.643 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.563 -2.693 6.821 1.00 0.00 C ATOM 0 H VAL A 71 6.110 -4.625 5.028 1.00 0.00 H new ATOM 0 HA VAL A 71 6.153 -2.051 4.310 1.00 0.00 H new ATOM 0 HB VAL A 71 7.563 -3.405 6.637 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.643 -1.201 7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.640 -1.245 6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.052 -0.442 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.613 -2.598 7.906 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.939 -1.897 6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.132 -3.660 6.561 1.00 0.00 H new ATOM 1018 N GLU A 72 9.213 -3.263 4.134 1.00 0.00 N ATOM 1019 CA GLU A 72 10.552 -3.010 3.616 1.00 0.00 C ATOM 1020 C GLU A 72 10.499 -2.607 2.144 1.00 0.00 C ATOM 1021 O GLU A 72 11.145 -1.646 1.729 1.00 0.00 O ATOM 1022 CB GLU A 72 11.432 -4.250 3.785 1.00 0.00 C ATOM 1023 CG GLU A 72 12.920 -3.960 3.676 1.00 0.00 C ATOM 1024 CD GLU A 72 13.476 -3.292 4.918 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.222 -3.800 6.030 1.00 0.00 O ATOM 1026 OE2 GLU A 72 14.167 -2.261 4.777 1.00 0.00 O ATOM 0 H GLU A 72 9.069 -4.209 4.488 1.00 0.00 H new ATOM 0 HA GLU A 72 10.984 -2.187 4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.228 -4.700 4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.157 -4.986 3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.456 -4.892 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.099 -3.320 2.812 1.00 0.00 H new ATOM 1033 N MET A 73 9.724 -3.351 1.362 1.00 0.00 N ATOM 1034 CA MET A 73 9.585 -3.072 -0.063 1.00 0.00 C ATOM 1035 C MET A 73 9.291 -1.594 -0.301 1.00 0.00 C ATOM 1036 O MET A 73 9.909 -0.959 -1.157 1.00 0.00 O ATOM 1037 CB MET A 73 8.471 -3.929 -0.666 1.00 0.00 C ATOM 1038 CG MET A 73 8.587 -5.406 -0.323 1.00 0.00 C ATOM 1039 SD MET A 73 10.190 -6.099 -0.771 1.00 0.00 S ATOM 1040 CE MET A 73 9.848 -6.704 -2.422 1.00 0.00 C ATOM 0 H MET A 73 9.183 -4.151 1.690 1.00 0.00 H new ATOM 0 HA MET A 73 10.528 -3.320 -0.550 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.508 -3.558 -0.316 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.482 -3.814 -1.750 1.00 0.00 H new ATOM 0 HG2 MET A 73 8.423 -5.541 0.746 1.00 0.00 H new ATOM 0 HG3 MET A 73 7.800 -5.957 -0.838 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.747 -7.162 -2.835 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.049 -7.445 -2.380 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.539 -5.874 -3.057 1.00 0.00 H new ATOM 1050 N ILE A 74 8.345 -1.054 0.459 1.00 0.00 N ATOM 1051 CA ILE A 74 7.971 0.349 0.330 1.00 0.00 C ATOM 1052 C ILE A 74 9.144 1.264 0.666 1.00 0.00 C ATOM 1053 O ILE A 74 9.484 2.162 -0.105 1.00 0.00 O ATOM 1054 CB ILE A 74 6.782 0.701 1.244 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.560 -0.143 0.875 1.00 0.00 C ATOM 1056 CG2 ILE A 74 6.458 2.184 1.144 1.00 0.00 C ATOM 1057 CD1 ILE A 74 5.504 -1.472 1.594 1.00 0.00 C ATOM 0 H ILE A 74 7.823 -1.566 1.170 1.00 0.00 H new ATOM 0 HA ILE A 74 7.679 0.503 -0.709 1.00 0.00 H new ATOM 0 HB ILE A 74 7.057 0.478 2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.656 0.422 1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.563 -0.321 -0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.616 2.417 1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.326 2.768 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.200 2.431 0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.612 -2.016 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.390 -2.057 1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.469 -1.302 2.670 1.00 0.00 H new ATOM 1069 N ARG A 75 9.758 1.029 1.821 1.00 0.00 N ATOM 1070 CA ARG A 75 10.894 1.832 2.259 1.00 0.00 C ATOM 1071 C ARG A 75 11.980 1.867 1.187 1.00 0.00 C ATOM 1072 O ARG A 75 12.529 2.925 0.879 1.00 0.00 O ATOM 1073 CB ARG A 75 11.467 1.274 3.563 1.00 0.00 C ATOM 1074 CG ARG A 75 10.826 1.861 4.810 1.00 0.00 C ATOM 1075 CD ARG A 75 9.508 1.176 5.134 1.00 0.00 C ATOM 1076 NE ARG A 75 8.866 1.753 6.312 1.00 0.00 N ATOM 1077 CZ ARG A 75 8.253 2.931 6.312 1.00 0.00 C ATOM 1078 NH1 ARG A 75 8.198 3.653 5.201 1.00 0.00 N ATOM 1079 NH2 ARG A 75 7.692 3.388 7.424 1.00 0.00 N ATOM 0 H ARG A 75 9.488 0.290 2.470 1.00 0.00 H new ATOM 0 HA ARG A 75 10.544 2.850 2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.337 0.192 3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.539 1.467 3.591 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.508 1.758 5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.657 2.928 4.666 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.837 1.258 4.279 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.683 0.113 5.301 1.00 0.00 H new ATOM 0 HE ARG A 75 8.890 1.222 7.183 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.627 3.304 4.344 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.727 4.558 5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.731 2.834 8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.221 4.293 7.423 1.00 0.00 H new ATOM 1093 N LYS A 76 12.286 0.704 0.624 1.00 0.00 N ATOM 1094 CA LYS A 76 13.305 0.600 -0.414 1.00 0.00 C ATOM 1095 C LYS A 76 12.994 1.535 -1.578 1.00 0.00 C ATOM 1096 O LYS A 76 13.896 2.126 -2.171 1.00 0.00 O ATOM 1097 CB LYS A 76 13.405 -0.842 -0.917 1.00 0.00 C ATOM 1098 CG LYS A 76 13.889 -1.822 0.138 1.00 0.00 C ATOM 1099 CD LYS A 76 13.545 -3.255 -0.233 1.00 0.00 C ATOM 1100 CE LYS A 76 14.656 -3.901 -1.047 1.00 0.00 C ATOM 1101 NZ LYS A 76 14.481 -5.377 -1.149 1.00 0.00 N ATOM 0 H LYS A 76 11.843 -0.181 0.869 1.00 0.00 H new ATOM 0 HA LYS A 76 14.261 0.894 0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.427 -1.161 -1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.083 -0.874 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.968 -1.725 0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.438 -1.576 1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.372 -3.835 0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.617 -3.271 -0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.673 -3.467 -2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.619 -3.680 -0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.257 -5.781 -1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.490 -5.794 -0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.573 -5.588 -1.611 1.00 0.00 H new ATOM 1115 N GLY A 77 11.710 1.667 -1.899 1.00 0.00 N ATOM 1116 CA GLY A 77 11.304 2.533 -2.990 1.00 0.00 C ATOM 1117 C GLY A 77 12.046 3.855 -2.988 1.00 0.00 C ATOM 1118 O GLY A 77 12.317 4.424 -4.044 1.00 0.00 O ATOM 0 H GLY A 77 10.945 1.190 -1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.478 2.024 -3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.233 2.721 -2.921 1.00 0.00 H new ATOM 1122 N GLY A 78 12.373 4.347 -1.797 1.00 0.00 N ATOM 1123 CA GLY A 78 13.084 5.607 -1.684 1.00 0.00 C ATOM 1124 C GLY A 78 12.150 6.781 -1.460 1.00 0.00 C ATOM 1125 O GLY A 78 11.778 7.078 -0.324 1.00 0.00 O ATOM 0 H GLY A 78 12.158 3.895 -0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.793 5.548 -0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.664 5.776 -2.591 1.00 0.00 H new ATOM 1129 N ASP A 79 11.773 7.450 -2.543 1.00 0.00 N ATOM 1130 CA ASP A 79 10.878 8.598 -2.459 1.00 0.00 C ATOM 1131 C ASP A 79 9.456 8.208 -2.850 1.00 0.00 C ATOM 1132 O ASP A 79 8.530 8.319 -2.047 1.00 0.00 O ATOM 1133 CB ASP A 79 11.376 9.727 -3.363 1.00 0.00 C ATOM 1134 CG ASP A 79 10.910 11.092 -2.895 1.00 0.00 C ATOM 1135 OD1 ASP A 79 10.790 11.289 -1.667 1.00 0.00 O ATOM 1136 OD2 ASP A 79 10.663 11.963 -3.756 1.00 0.00 O ATOM 0 H ASP A 79 12.073 7.217 -3.490 1.00 0.00 H new ATOM 0 HA ASP A 79 10.870 8.946 -1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.465 9.709 -3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.025 9.556 -4.381 1.00 0.00 H new ATOM 1141 N GLN A 80 9.291 7.753 -4.087 1.00 0.00 N ATOM 1142 CA GLN A 80 7.981 7.348 -4.584 1.00 0.00 C ATOM 1143 C GLN A 80 7.888 5.830 -4.702 1.00 0.00 C ATOM 1144 O GLN A 80 8.900 5.145 -4.854 1.00 0.00 O ATOM 1145 CB GLN A 80 7.705 7.995 -5.943 1.00 0.00 C ATOM 1146 CG GLN A 80 8.525 7.401 -7.077 1.00 0.00 C ATOM 1147 CD GLN A 80 8.532 8.278 -8.313 1.00 0.00 C ATOM 1148 OE1 GLN A 80 9.559 8.851 -8.677 1.00 0.00 O ATOM 1149 NE2 GLN A 80 7.382 8.387 -8.968 1.00 0.00 N ATOM 0 H GLN A 80 10.048 7.655 -4.764 1.00 0.00 H new ATOM 0 HA GLN A 80 7.230 7.685 -3.870 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.646 7.890 -6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.912 9.063 -5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.550 7.249 -6.738 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.125 6.420 -7.334 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.555 7.895 -8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.326 8.963 -9.808 1.00 0.00 H new ATOM 1158 N THR A 81 6.667 5.310 -4.629 1.00 0.00 N ATOM 1159 CA THR A 81 6.442 3.873 -4.726 1.00 0.00 C ATOM 1160 C THR A 81 5.007 3.568 -5.141 1.00 0.00 C ATOM 1161 O THR A 81 4.071 4.254 -4.729 1.00 0.00 O ATOM 1162 CB THR A 81 6.739 3.166 -3.390 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.536 1.756 -3.526 1.00 0.00 O ATOM 1164 CG2 THR A 81 5.849 3.708 -2.282 1.00 0.00 C ATOM 0 H THR A 81 5.819 5.862 -4.503 1.00 0.00 H new ATOM 0 HA THR A 81 7.126 3.497 -5.487 1.00 0.00 H new ATOM 0 HB THR A 81 7.779 3.358 -3.126 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.079 1.282 -2.862 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.077 3.194 -1.348 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.028 4.776 -2.161 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.803 3.543 -2.542 1.00 0.00 H new ATOM 1172 N THR A 82 4.840 2.533 -5.959 1.00 0.00 N ATOM 1173 CA THR A 82 3.518 2.137 -6.430 1.00 0.00 C ATOM 1174 C THR A 82 2.945 1.011 -5.577 1.00 0.00 C ATOM 1175 O THR A 82 3.656 0.076 -5.206 1.00 0.00 O ATOM 1176 CB THR A 82 3.559 1.682 -7.901 1.00 0.00 C ATOM 1177 OG1 THR A 82 4.367 2.581 -8.669 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.157 1.623 -8.488 1.00 0.00 C ATOM 0 H THR A 82 5.603 1.954 -6.309 1.00 0.00 H new ATOM 0 HA THR A 82 2.877 3.014 -6.347 1.00 0.00 H new ATOM 0 HB THR A 82 3.993 0.683 -7.938 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.390 2.284 -9.603 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.211 1.299 -9.527 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.554 0.916 -7.919 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.700 2.611 -8.439 1.00 0.00 H new ATOM 1186 N LEU A 83 1.656 1.105 -5.270 1.00 0.00 N ATOM 1187 CA LEU A 83 0.987 0.093 -4.461 1.00 0.00 C ATOM 1188 C LEU A 83 -0.161 -0.550 -5.233 1.00 0.00 C ATOM 1189 O LEU A 83 -0.781 0.085 -6.087 1.00 0.00 O ATOM 1190 CB LEU A 83 0.460 0.713 -3.166 1.00 0.00 C ATOM 1191 CG LEU A 83 1.261 1.892 -2.612 1.00 0.00 C ATOM 1192 CD1 LEU A 83 0.700 2.336 -1.270 1.00 0.00 C ATOM 1193 CD2 LEU A 83 2.732 1.523 -2.481 1.00 0.00 C ATOM 0 H LEU A 83 1.053 1.872 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 83 1.715 -0.680 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.565 1.043 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.422 -0.065 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 83 1.176 2.724 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.283 3.176 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.339 2.642 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.753 1.509 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.287 2.374 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.836 0.675 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.129 1.255 -3.460 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.439 -1.812 -4.927 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.515 -2.542 -5.590 1.00 0.00 C ATOM 1207 C LEU A 84 -2.449 -3.183 -4.569 1.00 0.00 C ATOM 1208 O LEU A 84 -2.091 -4.162 -3.914 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.935 -3.615 -6.513 1.00 0.00 C ATOM 1210 CG LEU A 84 -1.949 -4.409 -7.338 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.557 -3.533 -8.423 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -1.293 -5.639 -7.949 1.00 0.00 C ATOM 0 H LEU A 84 0.066 -2.352 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.090 -1.832 -6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.234 -3.137 -7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.361 -4.316 -5.907 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.749 -4.739 -6.675 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.276 -4.115 -9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.063 -2.683 -7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.769 -3.172 -9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.029 -6.192 -8.532 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.474 -5.330 -8.598 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.906 -6.277 -7.155 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.649 -2.625 -4.440 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.636 -3.145 -3.502 1.00 0.00 C ATOM 1226 C VAL A 85 -5.781 -3.835 -4.234 1.00 0.00 C ATOM 1227 O VAL A 85 -6.067 -3.527 -5.392 1.00 0.00 O ATOM 1228 CB VAL A 85 -5.210 -2.024 -2.614 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -4.110 -1.066 -2.184 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -6.319 -1.282 -3.345 1.00 0.00 C ATOM 0 H VAL A 85 -3.960 -1.813 -4.973 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.122 -3.871 -2.872 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.635 -2.476 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.535 -0.282 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.353 -1.611 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.652 -0.618 -3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.713 -0.494 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.921 -0.841 -4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.118 -1.979 -3.597 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.434 -4.769 -3.552 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.550 -5.504 -4.138 1.00 0.00 C ATOM 1242 C LEU A 86 -8.873 -5.076 -3.511 1.00 0.00 C ATOM 1243 O LEU A 86 -8.926 -4.712 -2.336 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.348 -7.009 -3.953 1.00 0.00 C ATOM 1245 CG LEU A 86 -6.593 -7.728 -5.072 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -7.550 -8.145 -6.178 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -5.489 -6.840 -5.625 1.00 0.00 C ATOM 0 H LEU A 86 -6.210 -5.036 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.584 -5.276 -5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.812 -7.171 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.327 -7.476 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.135 -8.627 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.996 -8.655 -6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.305 -8.818 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.036 -7.261 -6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.962 -7.367 -6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.924 -5.924 -6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.788 -6.592 -4.828 1.00 0.00 H new