USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=10 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= -1.53 K(o=-0.97,f=-5.4!) USER MOD Set 1.2: A 81 THR OG1 : rot 14:sc= 0.554 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -127:sc= 0.371 (180deg=-0.00128) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.216 X(o=-0.22,f=-0.13) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.34) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -117:sc= 0.881 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc=-0.00694 (180deg=-0.00694) USER MOD Single : A 50 ASN : amide:sc= -0.687 K(o=-0.69,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0102 X(o=-0.01,f=-0.01) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -15:sc= 0.848 USER MOD Single : A 67 HIS : no HD1:sc= -3.52! K(o=-3.5!,f=-2.2) USER MOD Single : A 73 MET CE :methyl 138:sc= -1.56 (180deg=-3.47!) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= -0.0391 (180deg=-0.858) 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 -7.323 -5.285 -9.012 1.00 0.00 N ATOM 60 CA GLY A 7 -6.274 -4.632 -8.251 1.00 0.00 C ATOM 61 C GLY A 7 -5.904 -3.276 -8.821 1.00 0.00 C ATOM 62 O GLY A 7 -5.312 -3.188 -9.896 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.600 -4.512 -7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.390 -5.270 -8.235 1.00 0.00 H new ATOM 66 N ARG A 8 -6.256 -2.217 -8.099 1.00 0.00 N ATOM 67 CA ARG A 8 -5.959 -0.859 -8.540 1.00 0.00 C ATOM 68 C ARG A 8 -4.493 -0.517 -8.297 1.00 0.00 C ATOM 69 O ARG A 8 -3.812 -1.176 -7.512 1.00 0.00 O ATOM 70 CB ARG A 8 -6.856 0.143 -7.812 1.00 0.00 C ATOM 71 CG ARG A 8 -6.609 0.204 -6.313 1.00 0.00 C ATOM 72 CD ARG A 8 -7.132 1.501 -5.715 1.00 0.00 C ATOM 73 NE ARG A 8 -8.580 1.473 -5.527 1.00 0.00 N ATOM 74 CZ ARG A 8 -9.324 2.564 -5.385 1.00 0.00 C ATOM 75 NH1 ARG A 8 -8.759 3.763 -5.409 1.00 0.00 N ATOM 76 NH2 ARG A 8 -10.636 2.457 -5.219 1.00 0.00 N ATOM 0 H ARG A 8 -6.747 -2.273 -7.207 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.154 -0.800 -9.611 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.700 1.134 -8.238 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.899 -0.120 -7.990 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.094 -0.643 -5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.541 0.115 -6.115 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.646 1.680 -4.756 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.867 2.333 -6.367 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.046 0.566 -5.503 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.751 3.849 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.333 4.599 -5.300 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.074 1.536 -5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.206 3.296 -5.110 1.00 0.00 H new ATOM 90 N VAL A 9 -4.012 0.519 -8.977 1.00 0.00 N ATOM 91 CA VAL A 9 -2.626 0.950 -8.836 1.00 0.00 C ATOM 92 C VAL A 9 -2.543 2.328 -8.187 1.00 0.00 C ATOM 93 O VAL A 9 -3.094 3.302 -8.701 1.00 0.00 O ATOM 94 CB VAL A 9 -1.909 0.992 -10.198 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.465 1.437 -10.028 1.00 0.00 C ATOM 96 CG2 VAL A 9 -1.980 -0.367 -10.879 1.00 0.00 C ATOM 0 H VAL A 9 -4.562 1.076 -9.631 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.131 0.219 -8.197 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.415 1.719 -10.833 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.025 1.461 -11.001 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.441 2.433 -9.585 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.057 0.737 -9.376 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.468 -0.319 -11.840 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.499 -1.115 -10.249 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.023 -0.641 -11.036 1.00 0.00 H new ATOM 106 N VAL A 10 -1.849 2.402 -7.056 1.00 0.00 N ATOM 107 CA VAL A 10 -1.692 3.661 -6.337 1.00 0.00 C ATOM 108 C VAL A 10 -0.278 4.210 -6.494 1.00 0.00 C ATOM 109 O VAL A 10 0.667 3.461 -6.739 1.00 0.00 O ATOM 110 CB VAL A 10 -2.002 3.494 -4.838 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.322 4.840 -4.205 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.150 2.516 -4.638 1.00 0.00 C ATOM 0 H VAL A 10 -1.387 1.605 -6.618 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.403 4.364 -6.771 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.118 3.089 -4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.538 4.702 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.467 5.507 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.190 5.277 -4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.356 2.410 -3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.040 2.891 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.878 1.546 -5.054 1.00 0.00 H new ATOM 122 N VAL A 11 -0.141 5.525 -6.351 1.00 0.00 N ATOM 123 CA VAL A 11 1.158 6.175 -6.475 1.00 0.00 C ATOM 124 C VAL A 11 1.331 7.263 -5.421 1.00 0.00 C ATOM 125 O VAL A 11 0.484 8.146 -5.281 1.00 0.00 O ATOM 126 CB VAL A 11 1.344 6.796 -7.873 1.00 0.00 C ATOM 127 CG1 VAL A 11 2.743 7.375 -8.019 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.069 5.763 -8.955 1.00 0.00 C ATOM 0 H VAL A 11 -0.913 6.160 -6.149 1.00 0.00 H new ATOM 0 HA VAL A 11 1.913 5.404 -6.325 1.00 0.00 H new ATOM 0 HB VAL A 11 0.627 7.609 -7.989 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.855 7.809 -9.013 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.897 8.148 -7.266 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.480 6.584 -7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.205 6.218 -9.936 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.760 4.927 -8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.045 5.402 -8.861 1.00 0.00 H new ATOM 138 N ILE A 12 2.433 7.194 -4.682 1.00 0.00 N ATOM 139 CA ILE A 12 2.718 8.174 -3.642 1.00 0.00 C ATOM 140 C ILE A 12 4.174 8.622 -3.692 1.00 0.00 C ATOM 141 O ILE A 12 5.042 7.898 -4.183 1.00 0.00 O ATOM 142 CB ILE A 12 2.413 7.612 -2.240 1.00 0.00 C ATOM 143 CG1 ILE A 12 1.008 7.007 -2.204 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.554 8.703 -1.190 1.00 0.00 C ATOM 145 CD1 ILE A 12 0.858 5.888 -1.198 1.00 0.00 C ATOM 0 H ILE A 12 3.143 6.469 -4.784 1.00 0.00 H new ATOM 0 HA ILE A 12 2.071 9.031 -3.830 1.00 0.00 H new ATOM 0 HB ILE A 12 3.133 6.825 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.289 7.792 -1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.758 6.629 -3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.335 8.290 -0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.573 9.091 -1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.855 9.511 -1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.163 5.507 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.553 5.084 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.076 6.265 -0.199 1.00 0.00 H new ATOM 157 N LYS A 13 4.438 9.819 -3.179 1.00 0.00 N ATOM 158 CA LYS A 13 5.790 10.364 -3.162 1.00 0.00 C ATOM 159 C LYS A 13 6.095 11.018 -1.819 1.00 0.00 C ATOM 160 O LYS A 13 5.473 12.013 -1.445 1.00 0.00 O ATOM 161 CB LYS A 13 5.965 11.384 -4.290 1.00 0.00 C ATOM 162 CG LYS A 13 5.101 11.100 -5.506 1.00 0.00 C ATOM 163 CD LYS A 13 5.198 12.217 -6.532 1.00 0.00 C ATOM 164 CE LYS A 13 4.196 13.325 -6.246 1.00 0.00 C ATOM 165 NZ LYS A 13 3.888 14.122 -7.466 1.00 0.00 N ATOM 0 H LYS A 13 3.732 10.431 -2.769 1.00 0.00 H new ATOM 0 HA LYS A 13 6.489 9.541 -3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.728 12.378 -3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.012 11.401 -4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.410 10.159 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.063 10.979 -5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.207 12.628 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.021 11.813 -7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.276 12.891 -5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.593 13.983 -5.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.202 14.867 -7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.761 14.557 -7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.486 13.499 -8.195 1.00 0.00 H new ATOM 179 N LYS A 14 7.058 10.455 -1.097 1.00 0.00 N ATOM 180 CA LYS A 14 7.449 10.985 0.204 1.00 0.00 C ATOM 181 C LYS A 14 7.341 12.506 0.227 1.00 0.00 C ATOM 182 O LYS A 14 7.870 13.189 -0.648 1.00 0.00 O ATOM 183 CB LYS A 14 8.880 10.560 0.542 1.00 0.00 C ATOM 184 CG LYS A 14 9.137 10.417 2.032 1.00 0.00 C ATOM 185 CD LYS A 14 10.462 9.727 2.306 1.00 0.00 C ATOM 186 CE LYS A 14 10.301 8.216 2.372 1.00 0.00 C ATOM 187 NZ LYS A 14 9.832 7.766 3.712 1.00 0.00 N ATOM 0 H LYS A 14 7.582 9.631 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 14 6.769 10.579 0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.093 9.610 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.574 11.293 0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.136 11.402 2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.328 9.847 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.176 9.984 1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.875 10.091 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.590 7.893 1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.254 7.739 2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.473 7.032 4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.824 8.574 4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.871 7.377 3.631 1.00 0.00 H new ATOM 201 N GLY A 15 6.651 13.031 1.236 1.00 0.00 N ATOM 202 CA GLY A 15 6.487 14.468 1.355 1.00 0.00 C ATOM 203 C GLY A 15 7.188 15.032 2.574 1.00 0.00 C ATOM 204 O GLY A 15 8.367 15.382 2.515 1.00 0.00 O ATOM 0 H GLY A 15 6.203 12.486 1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.878 14.951 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.425 14.706 1.408 1.00 0.00 H new ATOM 208 N SER A 16 6.461 15.124 3.683 1.00 0.00 N ATOM 209 CA SER A 16 7.019 15.656 4.921 1.00 0.00 C ATOM 210 C SER A 16 6.977 14.608 6.030 1.00 0.00 C ATOM 211 O SER A 16 8.015 14.158 6.512 1.00 0.00 O ATOM 212 CB SER A 16 6.250 16.905 5.356 1.00 0.00 C ATOM 213 OG SER A 16 6.696 17.364 6.620 1.00 0.00 O ATOM 0 H SER A 16 5.484 14.837 3.750 1.00 0.00 H new ATOM 0 HA SER A 16 8.059 15.924 4.736 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.379 17.692 4.613 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.184 16.682 5.402 1.00 0.00 H new ATOM 0 HG SER A 16 6.190 18.164 6.875 1.00 0.00 H new ATOM 219 N ASN A 17 5.768 14.225 6.428 1.00 0.00 N ATOM 220 CA ASN A 17 5.590 13.231 7.481 1.00 0.00 C ATOM 221 C ASN A 17 5.564 11.822 6.898 1.00 0.00 C ATOM 222 O ASN A 17 4.723 11.002 7.266 1.00 0.00 O ATOM 223 CB ASN A 17 4.296 13.501 8.251 1.00 0.00 C ATOM 224 CG ASN A 17 4.248 14.902 8.828 1.00 0.00 C ATOM 225 OD1 ASN A 17 3.512 15.761 8.342 1.00 0.00 O ATOM 226 ND2 ASN A 17 5.035 15.140 9.872 1.00 0.00 N ATOM 0 H ASN A 17 4.898 14.587 6.038 1.00 0.00 H new ATOM 0 HA ASN A 17 6.435 13.306 8.166 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.444 13.355 7.587 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.199 12.775 9.058 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.045 16.064 10.303 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.629 14.398 10.242 1.00 0.00 H new ATOM 233 N GLY A 18 6.493 11.546 5.987 1.00 0.00 N ATOM 234 CA GLY A 18 6.559 10.235 5.369 1.00 0.00 C ATOM 235 C GLY A 18 5.614 10.100 4.191 1.00 0.00 C ATOM 236 O GLY A 18 5.616 10.936 3.287 1.00 0.00 O ATOM 0 H GLY A 18 7.201 12.207 5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.579 10.045 5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.319 9.474 6.112 1.00 0.00 H new ATOM 240 N TYR A 19 4.806 9.046 4.201 1.00 0.00 N ATOM 241 CA TYR A 19 3.854 8.803 3.123 1.00 0.00 C ATOM 242 C TYR A 19 2.437 9.166 3.556 1.00 0.00 C ATOM 243 O TYR A 19 1.780 10.000 2.934 1.00 0.00 O ATOM 244 CB TYR A 19 3.907 7.338 2.689 1.00 0.00 C ATOM 245 CG TYR A 19 5.185 6.964 1.972 1.00 0.00 C ATOM 246 CD1 TYR A 19 6.305 6.544 2.680 1.00 0.00 C ATOM 247 CD2 TYR A 19 5.274 7.032 0.587 1.00 0.00 C ATOM 248 CE1 TYR A 19 7.475 6.203 2.030 1.00 0.00 C ATOM 249 CE2 TYR A 19 6.439 6.691 -0.071 1.00 0.00 C ATOM 250 CZ TYR A 19 7.537 6.278 0.654 1.00 0.00 C ATOM 251 OH TYR A 19 8.700 5.938 0.002 1.00 0.00 O ATOM 0 H TYR A 19 4.791 8.346 4.943 1.00 0.00 H new ATOM 0 HA TYR A 19 4.130 9.435 2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.794 6.703 3.568 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.060 7.131 2.035 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.260 6.483 3.757 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.417 7.357 0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.336 5.880 2.596 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.490 6.747 -1.148 1.00 0.00 H new ATOM 0 HH TYR A 19 8.577 6.045 -0.964 1.00 0.00 H new ATOM 261 N GLY A 20 1.972 8.533 4.628 1.00 0.00 N ATOM 262 CA GLY A 20 0.636 8.802 5.128 1.00 0.00 C ATOM 263 C GLY A 20 -0.239 7.564 5.139 1.00 0.00 C ATOM 264 O GLY A 20 -1.424 7.630 4.814 1.00 0.00 O ATOM 0 H GLY A 20 2.496 7.838 5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.704 9.204 6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.168 9.569 4.511 1.00 0.00 H new ATOM 268 N PHE A 21 0.347 6.431 5.512 1.00 0.00 N ATOM 269 CA PHE A 21 -0.387 5.172 5.562 1.00 0.00 C ATOM 270 C PHE A 21 0.383 4.125 6.363 1.00 0.00 C ATOM 271 O PHE A 21 1.600 3.996 6.229 1.00 0.00 O ATOM 272 CB PHE A 21 -0.650 4.654 4.146 1.00 0.00 C ATOM 273 CG PHE A 21 0.513 3.912 3.553 1.00 0.00 C ATOM 274 CD1 PHE A 21 0.770 2.599 3.911 1.00 0.00 C ATOM 275 CD2 PHE A 21 1.350 4.529 2.637 1.00 0.00 C ATOM 276 CE1 PHE A 21 1.840 1.914 3.368 1.00 0.00 C ATOM 277 CE2 PHE A 21 2.422 3.849 2.089 1.00 0.00 C ATOM 278 CZ PHE A 21 2.667 2.540 2.454 1.00 0.00 C ATOM 0 H PHE A 21 1.327 6.359 5.784 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.340 5.355 6.058 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.519 3.996 4.164 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.901 5.496 3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.126 2.105 4.623 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.163 5.553 2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.030 0.891 3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.067 4.341 1.376 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.503 2.006 2.026 1.00 0.00 H new ATOM 288 N TYR A 22 -0.336 3.381 7.197 1.00 0.00 N ATOM 289 CA TYR A 22 0.278 2.348 8.022 1.00 0.00 C ATOM 290 C TYR A 22 -0.040 0.958 7.481 1.00 0.00 C ATOM 291 O TYR A 22 -0.814 0.809 6.534 1.00 0.00 O ATOM 292 CB TYR A 22 -0.204 2.468 9.469 1.00 0.00 C ATOM 293 CG TYR A 22 0.181 3.772 10.129 1.00 0.00 C ATOM 294 CD1 TYR A 22 -0.306 4.984 9.656 1.00 0.00 C ATOM 295 CD2 TYR A 22 1.034 3.793 11.226 1.00 0.00 C ATOM 296 CE1 TYR A 22 0.044 6.178 10.256 1.00 0.00 C ATOM 297 CE2 TYR A 22 1.388 4.982 11.834 1.00 0.00 C ATOM 298 CZ TYR A 22 0.890 6.172 11.345 1.00 0.00 C ATOM 299 OH TYR A 22 1.242 7.359 11.946 1.00 0.00 O ATOM 0 H TYR A 22 -1.344 3.474 7.319 1.00 0.00 H new ATOM 0 HA TYR A 22 1.358 2.490 7.993 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.289 2.366 9.491 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.206 1.642 10.049 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.970 4.993 8.804 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.427 2.863 11.610 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.343 7.111 9.874 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.051 4.980 12.687 1.00 0.00 H new ATOM 0 HH TYR A 22 1.843 7.179 12.699 1.00 0.00 H new ATOM 309 N LEU A 23 0.560 -0.059 8.090 1.00 0.00 N ATOM 310 CA LEU A 23 0.341 -1.439 7.672 1.00 0.00 C ATOM 311 C LEU A 23 0.211 -2.360 8.881 1.00 0.00 C ATOM 312 O LEU A 23 0.781 -2.095 9.940 1.00 0.00 O ATOM 313 CB LEU A 23 1.489 -1.910 6.778 1.00 0.00 C ATOM 314 CG LEU A 23 1.615 -1.213 5.423 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.924 -1.591 4.748 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.433 -1.563 4.532 1.00 0.00 C ATOM 0 H LEU A 23 1.202 0.046 8.875 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.590 -1.478 7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.424 -1.776 7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.372 -2.980 6.604 1.00 0.00 H new ATOM 0 HG LEU A 23 1.613 -0.136 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.996 -1.085 3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.759 -1.289 5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.956 -2.670 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.539 -1.058 3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.403 -2.641 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.492 -1.241 5.011 1.00 0.00 H new ATOM 328 N ARG A 24 -0.541 -3.443 8.715 1.00 0.00 N ATOM 329 CA ARG A 24 -0.744 -4.405 9.792 1.00 0.00 C ATOM 330 C ARG A 24 -0.872 -5.821 9.240 1.00 0.00 C ATOM 331 O ARG A 24 -1.262 -6.017 8.089 1.00 0.00 O ATOM 332 CB ARG A 24 -1.995 -4.044 10.596 1.00 0.00 C ATOM 333 CG ARG A 24 -2.502 -5.178 11.473 1.00 0.00 C ATOM 334 CD ARG A 24 -3.788 -4.794 12.190 1.00 0.00 C ATOM 335 NE ARG A 24 -4.359 -5.918 12.927 1.00 0.00 N ATOM 336 CZ ARG A 24 -4.885 -6.989 12.343 1.00 0.00 C ATOM 337 NH1 ARG A 24 -4.911 -7.081 11.020 1.00 0.00 N ATOM 338 NH2 ARG A 24 -5.386 -7.971 13.082 1.00 0.00 N ATOM 0 H ARG A 24 -1.020 -3.676 7.845 1.00 0.00 H new ATOM 0 HA ARG A 24 0.126 -4.368 10.448 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.777 -3.180 11.224 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.786 -3.746 9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.675 -6.063 10.861 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.740 -5.441 12.206 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.588 -3.973 12.878 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.514 -4.431 11.463 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.354 -5.879 13.946 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.527 -6.328 10.449 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.315 -7.904 10.574 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.367 -7.904 14.100 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.790 -8.793 12.632 1.00 0.00 H new ATOM 352 N ALA A 25 -0.540 -6.806 10.068 1.00 0.00 N ATOM 353 CA ALA A 25 -0.619 -8.204 9.663 1.00 0.00 C ATOM 354 C ALA A 25 -2.068 -8.674 9.592 1.00 0.00 C ATOM 355 O ALA A 25 -2.682 -8.982 10.612 1.00 0.00 O ATOM 356 CB ALA A 25 0.175 -9.077 10.624 1.00 0.00 C ATOM 0 H ALA A 25 -0.214 -6.662 11.024 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.187 -8.293 8.666 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.107 -10.119 10.310 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.219 -8.764 10.622 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.232 -8.974 11.630 1.00 0.00 H new ATOM 362 N GLY A 26 -2.609 -8.726 8.378 1.00 0.00 N ATOM 363 CA GLY A 26 -3.982 -9.158 8.197 1.00 0.00 C ATOM 364 C GLY A 26 -4.179 -10.622 8.537 1.00 0.00 C ATOM 365 O GLY A 26 -3.252 -11.313 8.960 1.00 0.00 O ATOM 0 H GLY A 26 -2.121 -8.477 7.518 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.636 -8.552 8.824 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.281 -8.985 7.163 1.00 0.00 H new ATOM 369 N PRO A 27 -5.412 -11.116 8.352 1.00 0.00 N ATOM 370 CA PRO A 27 -5.757 -12.512 8.638 1.00 0.00 C ATOM 371 C PRO A 27 -5.115 -13.481 7.651 1.00 0.00 C ATOM 372 O PRO A 27 -4.202 -13.114 6.912 1.00 0.00 O ATOM 373 CB PRO A 27 -7.281 -12.537 8.497 1.00 0.00 C ATOM 374 CG PRO A 27 -7.595 -11.410 7.574 1.00 0.00 C ATOM 375 CD PRO A 27 -6.565 -10.350 7.850 1.00 0.00 C ATOM 0 HA PRO A 27 -5.401 -12.827 9.619 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.625 -13.488 8.092 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.770 -12.406 9.462 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.553 -11.734 6.534 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.602 -11.031 7.749 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.314 -9.790 6.949 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.919 -9.628 8.586 1.00 0.00 H new ATOM 383 N GLU A 28 -5.599 -14.719 7.644 1.00 0.00 N ATOM 384 CA GLU A 28 -5.071 -15.740 6.746 1.00 0.00 C ATOM 385 C GLU A 28 -4.755 -15.149 5.375 1.00 0.00 C ATOM 386 O GLU A 28 -3.701 -15.418 4.801 1.00 0.00 O ATOM 387 CB GLU A 28 -6.071 -16.889 6.601 1.00 0.00 C ATOM 388 CG GLU A 28 -7.425 -16.453 6.065 1.00 0.00 C ATOM 389 CD GLU A 28 -8.420 -17.596 5.995 1.00 0.00 C ATOM 390 OE1 GLU A 28 -8.406 -18.334 4.988 1.00 0.00 O ATOM 391 OE2 GLU A 28 -9.212 -17.752 6.948 1.00 0.00 O ATOM 0 H GLU A 28 -6.355 -15.039 8.249 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.147 -16.124 7.178 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.651 -17.643 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.210 -17.364 7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.827 -15.665 6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.298 -16.026 5.070 1.00 0.00 H new ATOM 398 N GLN A 29 -5.678 -14.344 4.858 1.00 0.00 N ATOM 399 CA GLN A 29 -5.498 -13.716 3.554 1.00 0.00 C ATOM 400 C GLN A 29 -4.073 -13.199 3.391 1.00 0.00 C ATOM 401 O GLN A 29 -3.391 -12.904 4.373 1.00 0.00 O ATOM 402 CB GLN A 29 -6.494 -12.568 3.376 1.00 0.00 C ATOM 403 CG GLN A 29 -6.874 -12.312 1.927 1.00 0.00 C ATOM 404 CD GLN A 29 -7.688 -13.443 1.329 1.00 0.00 C ATOM 405 OE1 GLN A 29 -7.320 -14.013 0.301 1.00 0.00 O ATOM 406 NE2 GLN A 29 -8.803 -13.774 1.970 1.00 0.00 N ATOM 0 H GLN A 29 -6.557 -14.112 5.321 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.681 -14.469 2.787 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.396 -12.789 3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.066 -11.658 3.797 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.445 -11.385 1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.968 -12.170 1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.071 -13.275 2.819 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.392 -14.527 1.614 1.00 0.00 H new ATOM 415 N LYS A 30 -3.627 -13.091 2.144 1.00 0.00 N ATOM 416 CA LYS A 30 -2.283 -12.609 1.850 1.00 0.00 C ATOM 417 C LYS A 30 -2.294 -11.112 1.556 1.00 0.00 C ATOM 418 O LYS A 30 -3.186 -10.610 0.874 1.00 0.00 O ATOM 419 CB LYS A 30 -1.695 -13.369 0.659 1.00 0.00 C ATOM 420 CG LYS A 30 -1.915 -14.870 0.726 1.00 0.00 C ATOM 421 CD LYS A 30 -0.844 -15.554 1.558 1.00 0.00 C ATOM 422 CE LYS A 30 -1.350 -16.858 2.156 1.00 0.00 C ATOM 423 NZ LYS A 30 -1.133 -18.010 1.238 1.00 0.00 N ATOM 0 H LYS A 30 -4.178 -13.331 1.320 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.661 -12.785 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.138 -12.986 -0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.625 -13.169 0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.896 -15.076 1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.914 -15.284 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.029 -15.752 0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.522 -14.887 2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.841 -17.046 3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.413 -16.767 2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.491 -18.880 1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.640 -17.843 0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.116 -18.113 1.045 1.00 0.00 H new ATOM 437 N GLY A 31 -1.295 -10.404 2.075 1.00 0.00 N ATOM 438 CA GLY A 31 -1.209 -8.972 1.856 1.00 0.00 C ATOM 439 C GLY A 31 -1.252 -8.184 3.150 1.00 0.00 C ATOM 440 O GLY A 31 -1.542 -8.737 4.211 1.00 0.00 O ATOM 0 H GLY A 31 -0.544 -10.797 2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.285 -8.744 1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.031 -8.656 1.214 1.00 0.00 H new ATOM 444 N GLN A 32 -0.961 -6.890 3.063 1.00 0.00 N ATOM 445 CA GLN A 32 -0.965 -6.026 4.238 1.00 0.00 C ATOM 446 C GLN A 32 -2.171 -5.091 4.222 1.00 0.00 C ATOM 447 O GLN A 32 -2.596 -4.630 3.162 1.00 0.00 O ATOM 448 CB GLN A 32 0.327 -5.210 4.301 1.00 0.00 C ATOM 449 CG GLN A 32 1.561 -6.047 4.595 1.00 0.00 C ATOM 450 CD GLN A 32 1.401 -6.909 5.831 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.567 -6.438 6.957 1.00 0.00 O ATOM 452 NE2 GLN A 32 1.076 -8.181 5.628 1.00 0.00 N ATOM 0 H GLN A 32 -0.720 -6.417 2.192 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.030 -6.659 5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.467 -4.693 3.352 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.226 -4.444 5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.775 -6.685 3.737 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.420 -5.388 4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.948 -8.529 4.678 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.954 -8.809 6.422 1.00 0.00 H new ATOM 461 N ILE A 33 -2.716 -4.818 5.402 1.00 0.00 N ATOM 462 CA ILE A 33 -3.872 -3.938 5.522 1.00 0.00 C ATOM 463 C ILE A 33 -3.448 -2.521 5.893 1.00 0.00 C ATOM 464 O ILE A 33 -2.605 -2.324 6.768 1.00 0.00 O ATOM 465 CB ILE A 33 -4.867 -4.457 6.578 1.00 0.00 C ATOM 466 CG1 ILE A 33 -5.265 -5.901 6.268 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.096 -3.562 6.632 1.00 0.00 C ATOM 468 CD1 ILE A 33 -6.180 -6.511 7.307 1.00 0.00 C ATOM 0 H ILE A 33 -2.376 -5.193 6.288 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.361 -3.925 4.548 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.383 -4.435 7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.759 -5.933 5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.364 -6.509 6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.790 -3.941 7.382 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.796 -2.548 6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.584 -3.555 5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.421 -7.535 7.023 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.681 -6.511 8.276 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.098 -5.927 7.372 1.00 0.00 H new ATOM 480 N ILE A 34 -4.040 -1.538 5.223 1.00 0.00 N ATOM 481 CA ILE A 34 -3.725 -0.139 5.484 1.00 0.00 C ATOM 482 C ILE A 34 -4.690 0.461 6.501 1.00 0.00 C ATOM 483 O ILE A 34 -5.828 0.011 6.635 1.00 0.00 O ATOM 484 CB ILE A 34 -3.772 0.699 4.193 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.649 0.277 3.244 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.668 2.182 4.519 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.480 1.201 2.058 1.00 0.00 C ATOM 0 H ILE A 34 -4.740 -1.685 4.496 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.713 -0.114 5.887 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.727 0.522 3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.712 0.236 3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.850 -0.732 2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.703 2.761 3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.500 2.473 5.161 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.727 2.376 5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.666 0.840 1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.404 1.223 1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.248 2.206 2.410 1.00 0.00 H new ATOM 499 N LYS A 35 -4.229 1.481 7.216 1.00 0.00 N ATOM 500 CA LYS A 35 -5.051 2.147 8.220 1.00 0.00 C ATOM 501 C LYS A 35 -4.325 3.356 8.803 1.00 0.00 C ATOM 502 O LYS A 35 -3.175 3.626 8.459 1.00 0.00 O ATOM 503 CB LYS A 35 -5.416 1.169 9.340 1.00 0.00 C ATOM 504 CG LYS A 35 -4.223 0.413 9.900 1.00 0.00 C ATOM 505 CD LYS A 35 -4.627 -0.955 10.424 1.00 0.00 C ATOM 506 CE LYS A 35 -3.729 -1.400 11.568 1.00 0.00 C ATOM 507 NZ LYS A 35 -4.256 -0.963 12.890 1.00 0.00 N ATOM 0 H LYS A 35 -3.289 1.865 7.119 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.964 2.493 7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.899 1.719 10.148 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.145 0.452 8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.467 0.298 9.123 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.769 0.992 10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.662 -0.925 10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.577 -1.685 9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.636 -2.486 11.555 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.728 -0.993 11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.615 -1.286 13.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.321 0.075 12.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.200 -1.372 13.040 1.00 0.00 H new ATOM 521 N ASP A 36 -5.005 4.078 9.687 1.00 0.00 N ATOM 522 CA ASP A 36 -4.424 5.257 10.319 1.00 0.00 C ATOM 523 C ASP A 36 -3.876 6.221 9.272 1.00 0.00 C ATOM 524 O ASP A 36 -2.809 6.808 9.453 1.00 0.00 O ATOM 525 CB ASP A 36 -3.312 4.847 11.285 1.00 0.00 C ATOM 526 CG ASP A 36 -3.819 3.975 12.416 1.00 0.00 C ATOM 527 OD1 ASP A 36 -4.240 2.832 12.141 1.00 0.00 O ATOM 528 OD2 ASP A 36 -3.797 4.436 13.577 1.00 0.00 O ATOM 0 H ASP A 36 -5.958 3.868 9.982 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.211 5.765 10.877 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.538 4.311 10.736 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.847 5.741 11.700 1.00 0.00 H new ATOM 533 N ILE A 37 -4.613 6.378 8.177 1.00 0.00 N ATOM 534 CA ILE A 37 -4.200 7.271 7.101 1.00 0.00 C ATOM 535 C ILE A 37 -4.171 8.721 7.571 1.00 0.00 C ATOM 536 O ILE A 37 -5.098 9.188 8.232 1.00 0.00 O ATOM 537 CB ILE A 37 -5.137 7.156 5.884 1.00 0.00 C ATOM 538 CG1 ILE A 37 -5.081 5.743 5.301 1.00 0.00 C ATOM 539 CG2 ILE A 37 -4.762 8.186 4.828 1.00 0.00 C ATOM 540 CD1 ILE A 37 -5.941 5.562 4.070 1.00 0.00 C ATOM 0 H ILE A 37 -5.498 5.899 8.012 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.196 6.967 6.806 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.158 7.354 6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.048 5.503 5.051 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.398 5.031 6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.433 8.092 3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.849 9.187 5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.735 8.017 4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.852 4.537 3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.982 5.770 4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.610 6.249 3.291 1.00 0.00 H new ATOM 552 N GLU A 38 -3.100 9.429 7.224 1.00 0.00 N ATOM 553 CA GLU A 38 -2.951 10.827 7.610 1.00 0.00 C ATOM 554 C GLU A 38 -3.645 11.745 6.608 1.00 0.00 C ATOM 555 O GLU A 38 -3.658 11.493 5.403 1.00 0.00 O ATOM 556 CB GLU A 38 -1.469 11.195 7.715 1.00 0.00 C ATOM 557 CG GLU A 38 -0.821 10.744 9.013 1.00 0.00 C ATOM 558 CD GLU A 38 0.438 11.526 9.338 1.00 0.00 C ATOM 559 OE1 GLU A 38 0.423 12.765 9.185 1.00 0.00 O ATOM 560 OE2 GLU A 38 1.437 10.897 9.746 1.00 0.00 O ATOM 0 H GLU A 38 -2.324 9.057 6.677 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.421 10.961 8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.932 10.750 6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.364 12.276 7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.535 10.856 9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.578 9.684 8.945 1.00 0.00 H new ATOM 567 N PRO A 39 -4.235 12.836 7.117 1.00 0.00 N ATOM 568 CA PRO A 39 -4.942 13.814 6.284 1.00 0.00 C ATOM 569 C PRO A 39 -3.993 14.619 5.403 1.00 0.00 C ATOM 570 O PRO A 39 -2.829 14.817 5.747 1.00 0.00 O ATOM 571 CB PRO A 39 -5.623 14.726 7.309 1.00 0.00 C ATOM 572 CG PRO A 39 -4.786 14.608 8.535 1.00 0.00 C ATOM 573 CD PRO A 39 -4.259 13.200 8.543 1.00 0.00 C ATOM 0 HA PRO A 39 -5.635 13.335 5.592 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.665 15.756 6.956 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.649 14.412 7.498 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.970 15.330 8.521 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.374 14.809 9.430 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.266 13.145 8.988 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.903 12.533 9.117 1.00 0.00 H new ATOM 581 N GLY A 40 -4.499 15.082 4.264 1.00 0.00 N ATOM 582 CA GLY A 40 -3.683 15.860 3.351 1.00 0.00 C ATOM 583 C GLY A 40 -2.303 15.264 3.156 1.00 0.00 C ATOM 584 O GLY A 40 -1.345 15.981 2.866 1.00 0.00 O ATOM 0 H GLY A 40 -5.460 14.932 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.186 15.927 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.586 16.877 3.732 1.00 0.00 H new ATOM 588 N SER A 41 -2.200 13.948 3.316 1.00 0.00 N ATOM 589 CA SER A 41 -0.925 13.257 3.161 1.00 0.00 C ATOM 590 C SER A 41 -0.831 12.592 1.791 1.00 0.00 C ATOM 591 O SER A 41 -1.836 12.238 1.174 1.00 0.00 O ATOM 592 CB SER A 41 -0.753 12.209 4.262 1.00 0.00 C ATOM 593 OG SER A 41 -1.573 11.078 4.024 1.00 0.00 O ATOM 0 H SER A 41 -2.984 13.340 3.553 1.00 0.00 H new ATOM 0 HA SER A 41 -0.127 13.995 3.243 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.291 11.900 4.314 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.004 12.647 5.228 1.00 0.00 H new ATOM 0 HG SER A 41 -2.225 10.988 4.750 1.00 0.00 H new ATOM 599 N PRO A 42 0.406 12.417 1.303 1.00 0.00 N ATOM 600 CA PRO A 42 0.662 11.793 0.002 1.00 0.00 C ATOM 601 C PRO A 42 -0.116 10.495 -0.183 1.00 0.00 C ATOM 602 O PRO A 42 -0.408 10.089 -1.307 1.00 0.00 O ATOM 603 CB PRO A 42 2.167 11.515 0.032 1.00 0.00 C ATOM 604 CG PRO A 42 2.720 12.524 0.978 1.00 0.00 C ATOM 605 CD PRO A 42 1.649 12.814 1.984 1.00 0.00 C ATOM 0 HA PRO A 42 0.349 12.431 -0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.375 10.500 0.370 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.608 11.618 -0.959 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.616 12.143 1.468 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.008 13.432 0.448 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.800 12.247 2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.634 13.869 2.259 1.00 0.00 H new ATOM 613 N ALA A 43 -0.451 9.848 0.929 1.00 0.00 N ATOM 614 CA ALA A 43 -1.198 8.597 0.890 1.00 0.00 C ATOM 615 C ALA A 43 -2.678 8.849 0.624 1.00 0.00 C ATOM 616 O ALA A 43 -3.306 8.139 -0.159 1.00 0.00 O ATOM 617 CB ALA A 43 -1.016 7.833 2.193 1.00 0.00 C ATOM 0 H ALA A 43 -0.217 10.170 1.868 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.807 7.994 0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.579 6.901 2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.041 7.612 2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.379 8.438 3.024 1.00 0.00 H new ATOM 623 N GLU A 44 -3.228 9.865 1.282 1.00 0.00 N ATOM 624 CA GLU A 44 -4.635 10.209 1.116 1.00 0.00 C ATOM 625 C GLU A 44 -4.872 10.902 -0.223 1.00 0.00 C ATOM 626 O GLU A 44 -5.899 10.692 -0.868 1.00 0.00 O ATOM 627 CB GLU A 44 -5.100 11.114 2.260 1.00 0.00 C ATOM 628 CG GLU A 44 -6.582 11.444 2.211 1.00 0.00 C ATOM 629 CD GLU A 44 -7.166 11.710 3.585 1.00 0.00 C ATOM 630 OE1 GLU A 44 -6.634 11.159 4.572 1.00 0.00 O ATOM 631 OE2 GLU A 44 -8.154 12.468 3.674 1.00 0.00 O ATOM 0 H GLU A 44 -2.721 10.463 1.934 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.213 9.285 1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.876 10.629 3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.529 12.042 2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.735 12.319 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.119 10.618 1.746 1.00 0.00 H new ATOM 638 N ALA A 45 -3.915 11.728 -0.633 1.00 0.00 N ATOM 639 CA ALA A 45 -4.018 12.450 -1.895 1.00 0.00 C ATOM 640 C ALA A 45 -3.737 11.530 -3.078 1.00 0.00 C ATOM 641 O ALA A 45 -3.994 11.886 -4.228 1.00 0.00 O ATOM 642 CB ALA A 45 -3.062 13.633 -1.905 1.00 0.00 C ATOM 0 H ALA A 45 -3.060 11.914 -0.109 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.038 12.821 -1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.149 14.163 -2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.311 14.309 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.040 13.276 -1.782 1.00 0.00 H new ATOM 648 N ALA A 46 -3.208 10.346 -2.789 1.00 0.00 N ATOM 649 CA ALA A 46 -2.894 9.375 -3.829 1.00 0.00 C ATOM 650 C ALA A 46 -4.136 8.593 -4.244 1.00 0.00 C ATOM 651 O ALA A 46 -4.274 8.196 -5.400 1.00 0.00 O ATOM 652 CB ALA A 46 -1.804 8.425 -3.353 1.00 0.00 C ATOM 0 H ALA A 46 -2.988 10.036 -1.842 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.531 9.919 -4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.580 7.705 -4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.905 8.993 -3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.146 7.895 -2.464 1.00 0.00 H new ATOM 658 N GLY A 47 -5.037 8.373 -3.291 1.00 0.00 N ATOM 659 CA GLY A 47 -6.255 7.638 -3.577 1.00 0.00 C ATOM 660 C GLY A 47 -6.394 6.391 -2.726 1.00 0.00 C ATOM 661 O GLY A 47 -7.237 5.536 -2.998 1.00 0.00 O ATOM 0 H GLY A 47 -4.945 8.691 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.115 8.286 -3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.268 7.358 -4.630 1.00 0.00 H new ATOM 665 N LEU A 48 -5.563 6.286 -1.695 1.00 0.00 N ATOM 666 CA LEU A 48 -5.595 5.132 -0.802 1.00 0.00 C ATOM 667 C LEU A 48 -6.959 5.001 -0.132 1.00 0.00 C ATOM 668 O LEU A 48 -7.873 5.779 -0.402 1.00 0.00 O ATOM 669 CB LEU A 48 -4.502 5.255 0.261 1.00 0.00 C ATOM 670 CG LEU A 48 -3.145 4.648 -0.099 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.206 4.694 1.096 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.314 3.218 -0.592 1.00 0.00 C ATOM 0 H LEU A 48 -4.859 6.985 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.415 4.237 -1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.357 6.312 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.858 4.782 1.176 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.706 5.239 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.246 4.258 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.060 5.729 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.639 4.128 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.338 2.802 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.774 2.615 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.950 3.211 -1.477 1.00 0.00 H new ATOM 684 N LYS A 49 -7.088 4.011 0.745 1.00 0.00 N ATOM 685 CA LYS A 49 -8.339 3.778 1.458 1.00 0.00 C ATOM 686 C LYS A 49 -8.118 2.865 2.660 1.00 0.00 C ATOM 687 O LYS A 49 -7.444 1.841 2.558 1.00 0.00 O ATOM 688 CB LYS A 49 -9.377 3.160 0.519 1.00 0.00 C ATOM 689 CG LYS A 49 -10.110 4.180 -0.335 1.00 0.00 C ATOM 690 CD LYS A 49 -11.514 3.714 -0.680 1.00 0.00 C ATOM 691 CE LYS A 49 -12.233 4.718 -1.568 1.00 0.00 C ATOM 692 NZ LYS A 49 -11.966 4.472 -3.012 1.00 0.00 N ATOM 0 H LYS A 49 -6.341 3.357 0.979 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.709 4.739 1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.882 2.441 -0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.104 2.604 1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.162 5.130 0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.549 4.358 -1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.464 2.750 -1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.084 3.564 0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.306 4.664 -1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.915 5.727 -1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.474 5.177 -3.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.945 4.549 -3.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.293 3.518 -3.268 1.00 0.00 H new ATOM 706 N ASN A 50 -8.692 3.243 3.797 1.00 0.00 N ATOM 707 CA ASN A 50 -8.559 2.458 5.019 1.00 0.00 C ATOM 708 C ASN A 50 -8.939 1.001 4.773 1.00 0.00 C ATOM 709 O ASN A 50 -9.875 0.710 4.030 1.00 0.00 O ATOM 710 CB ASN A 50 -9.435 3.046 6.126 1.00 0.00 C ATOM 711 CG ASN A 50 -9.018 4.453 6.508 1.00 0.00 C ATOM 712 OD1 ASN A 50 -9.739 5.417 6.251 1.00 0.00 O ATOM 713 ND2 ASN A 50 -7.849 4.576 7.125 1.00 0.00 N ATOM 0 H ASN A 50 -9.254 4.088 3.898 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.516 2.495 5.333 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.474 3.055 5.797 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.384 2.404 7.005 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.515 5.498 7.406 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.284 3.749 7.318 1.00 0.00 H new ATOM 720 N ASN A 51 -8.206 0.089 5.404 1.00 0.00 N ATOM 721 CA ASN A 51 -8.467 -1.338 5.255 1.00 0.00 C ATOM 722 C ASN A 51 -8.159 -1.801 3.834 1.00 0.00 C ATOM 723 O ASN A 51 -8.867 -2.640 3.276 1.00 0.00 O ATOM 724 CB ASN A 51 -9.924 -1.651 5.601 1.00 0.00 C ATOM 725 CG ASN A 51 -10.338 -1.071 6.940 1.00 0.00 C ATOM 726 OD1 ASN A 51 -11.088 -0.097 7.002 1.00 0.00 O ATOM 727 ND2 ASN A 51 -9.848 -1.669 8.019 1.00 0.00 N ATOM 0 H ASN A 51 -7.427 0.313 6.023 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.814 -1.875 5.943 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.573 -1.255 4.820 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.067 -2.731 5.616 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.090 -1.324 8.948 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.229 -2.474 7.919 1.00 0.00 H new ATOM 734 N ASP A 52 -7.098 -1.250 3.255 1.00 0.00 N ATOM 735 CA ASP A 52 -6.695 -1.607 1.900 1.00 0.00 C ATOM 736 C ASP A 52 -5.695 -2.759 1.916 1.00 0.00 C ATOM 737 O ASP A 52 -4.603 -2.639 2.474 1.00 0.00 O ATOM 738 CB ASP A 52 -6.086 -0.396 1.190 1.00 0.00 C ATOM 739 CG ASP A 52 -7.124 0.423 0.449 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.331 0.188 0.666 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.729 1.299 -0.348 1.00 0.00 O ATOM 0 H ASP A 52 -6.501 -0.554 3.703 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.583 -1.928 1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.584 0.236 1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.325 -0.735 0.487 1.00 0.00 H new ATOM 746 N LEU A 53 -6.075 -3.874 1.302 1.00 0.00 N ATOM 747 CA LEU A 53 -5.212 -5.049 1.247 1.00 0.00 C ATOM 748 C LEU A 53 -4.258 -4.968 0.059 1.00 0.00 C ATOM 749 O LEU A 53 -4.688 -4.914 -1.093 1.00 0.00 O ATOM 750 CB LEU A 53 -6.056 -6.321 1.153 1.00 0.00 C ATOM 751 CG LEU A 53 -5.351 -7.623 1.536 1.00 0.00 C ATOM 752 CD1 LEU A 53 -5.166 -7.707 3.043 1.00 0.00 C ATOM 753 CD2 LEU A 53 -6.134 -8.824 1.025 1.00 0.00 C ATOM 0 H LEU A 53 -6.975 -3.989 0.835 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.621 -5.080 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.930 -6.202 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.421 -6.416 0.131 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.366 -7.631 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.663 -8.640 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.563 -6.865 3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.140 -7.676 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.618 -9.742 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.132 -8.820 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.214 -8.771 -0.061 1.00 0.00 H new ATOM 765 N VAL A 54 -2.961 -4.963 0.348 1.00 0.00 N ATOM 766 CA VAL A 54 -1.945 -4.893 -0.696 1.00 0.00 C ATOM 767 C VAL A 54 -1.390 -6.277 -1.017 1.00 0.00 C ATOM 768 O VAL A 54 -0.975 -7.013 -0.122 1.00 0.00 O ATOM 769 CB VAL A 54 -0.784 -3.968 -0.288 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.357 -4.069 -1.290 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.267 -2.531 -0.161 1.00 0.00 C ATOM 0 H VAL A 54 -2.589 -5.007 1.297 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.430 -4.485 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.411 -4.289 0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.169 -3.408 -0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.720 -5.096 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.001 -3.775 -2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.433 -1.891 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.667 -2.196 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.047 -2.475 0.598 1.00 0.00 H new ATOM 781 N VAL A 55 -1.386 -6.624 -2.300 1.00 0.00 N ATOM 782 CA VAL A 55 -0.881 -7.919 -2.740 1.00 0.00 C ATOM 783 C VAL A 55 0.468 -7.774 -3.436 1.00 0.00 C ATOM 784 O VAL A 55 1.239 -8.730 -3.522 1.00 0.00 O ATOM 785 CB VAL A 55 -1.869 -8.612 -3.697 1.00 0.00 C ATOM 786 CG1 VAL A 55 -3.112 -9.064 -2.945 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.238 -7.683 -4.844 1.00 0.00 C ATOM 0 H VAL A 55 -1.727 -6.026 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.762 -8.533 -1.847 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.386 -9.495 -4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.799 -9.551 -3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.828 -9.766 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.601 -8.199 -2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.937 -8.188 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.703 -6.781 -4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.339 -7.413 -5.398 1.00 0.00 H new ATOM 797 N ALA A 56 0.745 -6.573 -3.933 1.00 0.00 N ATOM 798 CA ALA A 56 2.002 -6.303 -4.620 1.00 0.00 C ATOM 799 C ALA A 56 2.462 -4.869 -4.379 1.00 0.00 C ATOM 800 O ALA A 56 1.653 -3.986 -4.094 1.00 0.00 O ATOM 801 CB ALA A 56 1.856 -6.568 -6.111 1.00 0.00 C ATOM 0 H ALA A 56 0.116 -5.772 -3.873 1.00 0.00 H new ATOM 0 HA ALA A 56 2.760 -6.974 -4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.802 -6.362 -6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.581 -7.611 -6.270 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.080 -5.921 -6.521 1.00 0.00 H new ATOM 807 N VAL A 57 3.767 -4.644 -4.494 1.00 0.00 N ATOM 808 CA VAL A 57 4.335 -3.317 -4.288 1.00 0.00 C ATOM 809 C VAL A 57 5.417 -3.016 -5.319 1.00 0.00 C ATOM 810 O VAL A 57 6.528 -3.539 -5.237 1.00 0.00 O ATOM 811 CB VAL A 57 4.932 -3.174 -2.876 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.524 -1.786 -2.684 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.877 -3.463 -1.819 1.00 0.00 C ATOM 0 H VAL A 57 4.451 -5.364 -4.729 1.00 0.00 H new ATOM 0 HA VAL A 57 3.519 -2.603 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 57 5.734 -3.904 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.941 -1.704 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.312 -1.622 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.744 -1.036 -2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.317 -3.357 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.052 -2.759 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.505 -4.480 -1.944 1.00 0.00 H new ATOM 823 N ASN A 58 5.085 -2.170 -6.289 1.00 0.00 N ATOM 824 CA ASN A 58 6.029 -1.800 -7.337 1.00 0.00 C ATOM 825 C ASN A 58 6.235 -2.952 -8.316 1.00 0.00 C ATOM 826 O ASN A 58 7.296 -3.082 -8.924 1.00 0.00 O ATOM 827 CB ASN A 58 7.370 -1.392 -6.723 1.00 0.00 C ATOM 828 CG ASN A 58 7.202 -0.505 -5.504 1.00 0.00 C ATOM 829 OD1 ASN A 58 6.202 0.199 -5.368 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.184 -0.536 -4.611 1.00 0.00 N ATOM 0 H ASN A 58 4.169 -1.728 -6.371 1.00 0.00 H new ATOM 0 HA ASN A 58 5.614 -0.953 -7.883 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.926 -2.287 -6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.965 -0.868 -7.471 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.127 0.039 -3.771 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.995 -1.135 -4.765 1.00 0.00 H new ATOM 837 N GLY A 59 5.210 -3.786 -8.463 1.00 0.00 N ATOM 838 CA GLY A 59 5.297 -4.916 -9.370 1.00 0.00 C ATOM 839 C GLY A 59 5.979 -6.114 -8.739 1.00 0.00 C ATOM 840 O GLY A 59 6.480 -6.994 -9.439 1.00 0.00 O ATOM 0 H GLY A 59 4.321 -3.699 -7.970 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.294 -5.199 -9.690 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.845 -4.619 -10.264 1.00 0.00 H new ATOM 844 N LYS A 60 6.000 -6.150 -7.411 1.00 0.00 N ATOM 845 CA LYS A 60 6.625 -7.248 -6.684 1.00 0.00 C ATOM 846 C LYS A 60 5.622 -7.927 -5.756 1.00 0.00 C ATOM 847 O LYS A 60 4.770 -7.269 -5.159 1.00 0.00 O ATOM 848 CB LYS A 60 7.819 -6.737 -5.875 1.00 0.00 C ATOM 849 CG LYS A 60 8.991 -6.293 -6.734 1.00 0.00 C ATOM 850 CD LYS A 60 9.718 -7.481 -7.341 1.00 0.00 C ATOM 851 CE LYS A 60 10.822 -7.986 -6.425 1.00 0.00 C ATOM 852 NZ LYS A 60 11.294 -9.342 -6.820 1.00 0.00 N ATOM 0 H LYS A 60 5.591 -5.430 -6.816 1.00 0.00 H new ATOM 0 HA LYS A 60 6.974 -7.981 -7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.496 -5.900 -5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.153 -7.524 -5.199 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.633 -5.639 -7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.686 -5.710 -6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.007 -8.285 -7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.144 -7.196 -8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.660 -7.289 -6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.458 -8.013 -5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.046 -9.650 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.501 -10.013 -6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.665 -9.311 -7.791 1.00 0.00 H new ATOM 866 N SER A 61 5.731 -9.247 -5.638 1.00 0.00 N ATOM 867 CA SER A 61 4.832 -10.015 -4.785 1.00 0.00 C ATOM 868 C SER A 61 5.224 -9.873 -3.317 1.00 0.00 C ATOM 869 O SER A 61 6.270 -10.365 -2.892 1.00 0.00 O ATOM 870 CB SER A 61 4.848 -11.490 -5.189 1.00 0.00 C ATOM 871 OG SER A 61 5.906 -12.183 -4.550 1.00 0.00 O ATOM 0 H SER A 61 6.433 -9.806 -6.122 1.00 0.00 H new ATOM 0 HA SER A 61 3.824 -9.622 -4.914 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.896 -11.952 -4.927 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.956 -11.573 -6.270 1.00 0.00 H new ATOM 0 HG SER A 61 6.540 -11.537 -4.174 1.00 0.00 H new ATOM 877 N VAL A 62 4.377 -9.198 -2.547 1.00 0.00 N ATOM 878 CA VAL A 62 4.632 -8.992 -1.127 1.00 0.00 C ATOM 879 C VAL A 62 3.625 -9.753 -0.271 1.00 0.00 C ATOM 880 O VAL A 62 3.808 -9.898 0.937 1.00 0.00 O ATOM 881 CB VAL A 62 4.578 -7.498 -0.758 1.00 0.00 C ATOM 882 CG1 VAL A 62 5.399 -6.675 -1.739 1.00 0.00 C ATOM 883 CG2 VAL A 62 3.137 -7.011 -0.717 1.00 0.00 C ATOM 0 H VAL A 62 3.507 -8.784 -2.883 1.00 0.00 H new ATOM 0 HA VAL A 62 5.634 -9.372 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 62 5.009 -7.372 0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.349 -5.622 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.437 -7.008 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.001 -6.805 -2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.118 -5.953 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.678 -7.151 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.582 -7.580 0.029 1.00 0.00 H new ATOM 893 N GLU A 63 2.562 -10.236 -0.907 1.00 0.00 N ATOM 894 CA GLU A 63 1.525 -10.981 -0.203 1.00 0.00 C ATOM 895 C GLU A 63 2.103 -12.236 0.446 1.00 0.00 C ATOM 896 O GLU A 63 1.450 -12.879 1.267 1.00 0.00 O ATOM 897 CB GLU A 63 0.399 -11.364 -1.165 1.00 0.00 C ATOM 898 CG GLU A 63 0.727 -12.561 -2.042 1.00 0.00 C ATOM 899 CD GLU A 63 1.661 -12.208 -3.184 1.00 0.00 C ATOM 900 OE1 GLU A 63 1.977 -11.011 -3.343 1.00 0.00 O ATOM 901 OE2 GLU A 63 2.076 -13.130 -3.918 1.00 0.00 O ATOM 0 H GLU A 63 2.397 -10.125 -1.907 1.00 0.00 H new ATOM 0 HA GLU A 63 1.121 -10.340 0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.501 -11.582 -0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.171 -10.509 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.184 -13.340 -1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.197 -12.974 -2.447 1.00 0.00 H new ATOM 908 N ALA A 64 3.331 -12.577 0.070 1.00 0.00 N ATOM 909 CA ALA A 64 3.998 -13.753 0.616 1.00 0.00 C ATOM 910 C ALA A 64 4.965 -13.368 1.730 1.00 0.00 C ATOM 911 O ALA A 64 5.436 -14.224 2.481 1.00 0.00 O ATOM 912 CB ALA A 64 4.731 -14.503 -0.486 1.00 0.00 C ATOM 0 H ALA A 64 3.884 -12.056 -0.610 1.00 0.00 H new ATOM 0 HA ALA A 64 3.237 -14.407 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.224 -15.379 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.018 -14.820 -1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.477 -13.849 -0.938 1.00 0.00 H new ATOM 918 N LEU A 65 5.259 -12.076 1.832 1.00 0.00 N ATOM 919 CA LEU A 65 6.172 -11.578 2.855 1.00 0.00 C ATOM 920 C LEU A 65 5.419 -11.239 4.138 1.00 0.00 C ATOM 921 O LEU A 65 4.204 -11.421 4.223 1.00 0.00 O ATOM 922 CB LEU A 65 6.915 -10.342 2.345 1.00 0.00 C ATOM 923 CG LEU A 65 8.199 -10.609 1.557 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.615 -9.370 0.780 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.314 -11.055 2.491 1.00 0.00 C ATOM 0 H LEU A 65 4.879 -11.355 1.219 1.00 0.00 H new ATOM 0 HA LEU A 65 6.895 -12.364 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.236 -9.770 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.161 -9.712 3.200 1.00 0.00 H new ATOM 0 HG LEU A 65 8.006 -11.411 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.530 -9.578 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.823 -9.095 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.790 -8.547 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.220 -11.241 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.506 -10.274 3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.016 -11.970 3.002 1.00 0.00 H new ATOM 937 N ASP A 66 6.148 -10.743 5.132 1.00 0.00 N ATOM 938 CA ASP A 66 5.548 -10.374 6.409 1.00 0.00 C ATOM 939 C ASP A 66 5.594 -8.864 6.616 1.00 0.00 C ATOM 940 O ASP A 66 6.154 -8.132 5.799 1.00 0.00 O ATOM 941 CB ASP A 66 6.270 -11.081 7.558 1.00 0.00 C ATOM 942 CG ASP A 66 7.777 -11.068 7.390 1.00 0.00 C ATOM 943 OD1 ASP A 66 8.288 -10.167 6.693 1.00 0.00 O ATOM 944 OD2 ASP A 66 8.445 -11.961 7.954 1.00 0.00 O ATOM 0 H ASP A 66 7.155 -10.587 5.078 1.00 0.00 H new ATOM 0 HA ASP A 66 4.504 -10.688 6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.008 -10.598 8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.923 -12.112 7.621 1.00 0.00 H new ATOM 949 N HIS A 67 5.002 -8.403 7.713 1.00 0.00 N ATOM 950 CA HIS A 67 4.975 -6.979 8.026 1.00 0.00 C ATOM 951 C HIS A 67 6.284 -6.308 7.621 1.00 0.00 C ATOM 952 O HIS A 67 6.289 -5.356 6.842 1.00 0.00 O ATOM 953 CB HIS A 67 4.721 -6.769 9.520 1.00 0.00 C ATOM 954 CG HIS A 67 4.741 -5.330 9.934 1.00 0.00 C ATOM 955 ND1 HIS A 67 3.792 -4.773 10.765 1.00 0.00 N ATOM 956 CD2 HIS A 67 5.603 -4.332 9.628 1.00 0.00 C ATOM 957 CE1 HIS A 67 4.068 -3.494 10.951 1.00 0.00 C ATOM 958 NE2 HIS A 67 5.163 -3.202 10.272 1.00 0.00 N ATOM 0 H HIS A 67 4.535 -8.995 8.400 1.00 0.00 H new ATOM 0 HA HIS A 67 4.164 -6.523 7.459 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.754 -7.200 9.780 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.476 -7.313 10.088 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.475 -4.410 8.995 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.496 -2.805 11.555 1.00 0.00 H new ATOM 0 HE2 HIS A 67 5.609 -2.286 10.233 1.00 0.00 H new ATOM 967 N ASP A 68 7.391 -6.812 8.156 1.00 0.00 N ATOM 968 CA ASP A 68 8.706 -6.262 7.850 1.00 0.00 C ATOM 969 C ASP A 68 9.002 -6.360 6.357 1.00 0.00 C ATOM 970 O ASP A 68 9.409 -5.384 5.728 1.00 0.00 O ATOM 971 CB ASP A 68 9.787 -6.995 8.646 1.00 0.00 C ATOM 972 CG ASP A 68 11.179 -6.742 8.101 1.00 0.00 C ATOM 973 OD1 ASP A 68 11.509 -7.301 7.035 1.00 0.00 O ATOM 974 OD2 ASP A 68 11.939 -5.986 8.742 1.00 0.00 O ATOM 0 H ASP A 68 7.404 -7.600 8.803 1.00 0.00 H new ATOM 0 HA ASP A 68 8.707 -5.210 8.134 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.745 -6.678 9.688 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.583 -8.066 8.630 1.00 0.00 H new ATOM 979 N GLY A 69 8.796 -7.547 5.794 1.00 0.00 N ATOM 980 CA GLY A 69 9.048 -7.752 4.380 1.00 0.00 C ATOM 981 C GLY A 69 8.368 -6.710 3.514 1.00 0.00 C ATOM 982 O GLY A 69 9.031 -5.955 2.802 1.00 0.00 O ATOM 0 H GLY A 69 8.459 -8.370 6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.122 -7.727 4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.699 -8.744 4.092 1.00 0.00 H new ATOM 986 N VAL A 70 7.040 -6.669 3.572 1.00 0.00 N ATOM 987 CA VAL A 70 6.270 -5.712 2.787 1.00 0.00 C ATOM 988 C VAL A 70 6.708 -4.281 3.079 1.00 0.00 C ATOM 989 O VAL A 70 7.064 -3.531 2.170 1.00 0.00 O ATOM 990 CB VAL A 70 4.761 -5.842 3.066 1.00 0.00 C ATOM 991 CG1 VAL A 70 3.957 -5.074 2.028 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.349 -7.307 3.094 1.00 0.00 C ATOM 0 H VAL A 70 6.476 -7.288 4.155 1.00 0.00 H new ATOM 0 HA VAL A 70 6.459 -5.940 1.738 1.00 0.00 H new ATOM 0 HB VAL A 70 4.552 -5.410 4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.893 -5.178 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.233 -4.020 2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.168 -5.473 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.280 -7.381 3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.572 -7.766 2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.900 -7.825 3.879 1.00 0.00 H new ATOM 1002 N VAL A 71 6.680 -3.909 4.355 1.00 0.00 N ATOM 1003 CA VAL A 71 7.076 -2.568 4.768 1.00 0.00 C ATOM 1004 C VAL A 71 8.459 -2.214 4.234 1.00 0.00 C ATOM 1005 O VAL A 71 8.750 -1.050 3.960 1.00 0.00 O ATOM 1006 CB VAL A 71 7.081 -2.432 6.303 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.761 -1.138 6.723 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.662 -2.500 6.847 1.00 0.00 C ATOM 0 H VAL A 71 6.387 -4.517 5.120 1.00 0.00 H new ATOM 0 HA VAL A 71 6.341 -1.879 4.351 1.00 0.00 H new ATOM 0 HB VAL A 71 7.647 -3.263 6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.755 -1.060 7.810 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.791 -1.135 6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.226 -0.290 6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.683 -2.402 7.932 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.070 -1.690 6.421 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.214 -3.457 6.578 1.00 0.00 H new ATOM 1018 N GLU A 72 9.308 -3.226 4.088 1.00 0.00 N ATOM 1019 CA GLU A 72 10.662 -3.021 3.586 1.00 0.00 C ATOM 1020 C GLU A 72 10.639 -2.573 2.127 1.00 0.00 C ATOM 1021 O GLU A 72 11.220 -1.547 1.773 1.00 0.00 O ATOM 1022 CB GLU A 72 11.481 -4.306 3.723 1.00 0.00 C ATOM 1023 CG GLU A 72 12.980 -4.089 3.596 1.00 0.00 C ATOM 1024 CD GLU A 72 13.787 -5.186 4.262 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.870 -6.293 3.689 1.00 0.00 O ATOM 1026 OE2 GLU A 72 14.335 -4.938 5.356 1.00 0.00 O ATOM 0 H GLU A 72 9.083 -4.196 4.310 1.00 0.00 H new ATOM 0 HA GLU A 72 11.128 -2.237 4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.269 -4.761 4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.159 -5.015 2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.247 -4.036 2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.243 -3.129 4.040 1.00 0.00 H new ATOM 1033 N MET A 73 9.964 -3.349 1.286 1.00 0.00 N ATOM 1034 CA MET A 73 9.864 -3.032 -0.134 1.00 0.00 C ATOM 1035 C MET A 73 9.611 -1.542 -0.342 1.00 0.00 C ATOM 1036 O MET A 73 10.261 -0.902 -1.169 1.00 0.00 O ATOM 1037 CB MET A 73 8.744 -3.847 -0.783 1.00 0.00 C ATOM 1038 CG MET A 73 9.003 -5.345 -0.780 1.00 0.00 C ATOM 1039 SD MET A 73 10.409 -5.809 -1.810 1.00 0.00 S ATOM 1040 CE MET A 73 9.577 -6.632 -3.167 1.00 0.00 C ATOM 0 H MET A 73 9.478 -4.202 1.563 1.00 0.00 H new ATOM 0 HA MET A 73 10.812 -3.291 -0.606 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.809 -3.647 -0.259 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.611 -3.512 -1.811 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.182 -5.677 0.243 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.112 -5.865 -1.133 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.035 -6.333 -4.110 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.666 -7.712 -3.047 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.523 -6.353 -3.171 1.00 0.00 H new ATOM 1050 N ILE A 74 8.664 -0.997 0.414 1.00 0.00 N ATOM 1051 CA ILE A 74 8.326 0.418 0.312 1.00 0.00 C ATOM 1052 C ILE A 74 9.560 1.293 0.503 1.00 0.00 C ATOM 1053 O ILE A 74 9.802 2.220 -0.270 1.00 0.00 O ATOM 1054 CB ILE A 74 7.261 0.818 1.349 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.924 0.148 1.025 1.00 0.00 C ATOM 1056 CG2 ILE A 74 7.104 2.331 1.391 1.00 0.00 C ATOM 1057 CD1 ILE A 74 5.026 -0.024 2.230 1.00 0.00 C ATOM 0 H ILE A 74 8.117 -1.513 1.103 1.00 0.00 H new ATOM 0 HA ILE A 74 7.924 0.575 -0.689 1.00 0.00 H new ATOM 0 HB ILE A 74 7.588 0.478 2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.402 0.742 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.115 -0.829 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.347 2.598 2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.055 2.788 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.797 2.692 0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.097 -0.505 1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.529 -0.643 2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.805 0.952 2.661 1.00 0.00 H new ATOM 1069 N ARG A 75 10.339 0.990 1.537 1.00 0.00 N ATOM 1070 CA ARG A 75 11.549 1.749 1.830 1.00 0.00 C ATOM 1071 C ARG A 75 12.518 1.702 0.652 1.00 0.00 C ATOM 1072 O ARG A 75 13.410 2.542 0.534 1.00 0.00 O ATOM 1073 CB ARG A 75 12.229 1.200 3.086 1.00 0.00 C ATOM 1074 CG ARG A 75 11.590 1.676 4.381 1.00 0.00 C ATOM 1075 CD ARG A 75 11.897 0.731 5.533 1.00 0.00 C ATOM 1076 NE ARG A 75 11.693 1.368 6.831 1.00 0.00 N ATOM 1077 CZ ARG A 75 12.438 2.371 7.283 1.00 0.00 C ATOM 1078 NH1 ARG A 75 13.430 2.849 6.545 1.00 0.00 N ATOM 1079 NH2 ARG A 75 12.190 2.897 8.476 1.00 0.00 N ATOM 0 H ARG A 75 10.154 0.225 2.185 1.00 0.00 H new ATOM 0 HA ARG A 75 11.264 2.787 2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 75 12.203 0.111 3.057 1.00 0.00 H new ATOM 0 HB3 ARG A 75 13.279 1.494 3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.953 2.675 4.622 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.511 1.752 4.249 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.261 -0.151 5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 75 12.929 0.388 5.456 1.00 0.00 H new ATOM 0 HE ARG A 75 10.937 1.024 7.423 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.623 2.447 5.628 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.000 3.619 6.894 1.00 0.00 H new ATOM 0 HH21 ARG A 75 11.427 2.531 9.046 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.762 3.667 8.823 1.00 0.00 H new ATOM 1093 N LYS A 76 12.338 0.713 -0.217 1.00 0.00 N ATOM 1094 CA LYS A 76 13.194 0.556 -1.386 1.00 0.00 C ATOM 1095 C LYS A 76 12.745 1.474 -2.518 1.00 0.00 C ATOM 1096 O LYS A 76 13.567 2.017 -3.254 1.00 0.00 O ATOM 1097 CB LYS A 76 13.183 -0.899 -1.860 1.00 0.00 C ATOM 1098 CG LYS A 76 13.330 -1.907 -0.733 1.00 0.00 C ATOM 1099 CD LYS A 76 14.761 -1.973 -0.227 1.00 0.00 C ATOM 1100 CE LYS A 76 15.574 -3.010 -0.986 1.00 0.00 C ATOM 1101 NZ LYS A 76 16.232 -2.429 -2.188 1.00 0.00 N ATOM 0 H LYS A 76 11.606 0.008 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 76 14.209 0.831 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.250 -1.093 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.992 -1.046 -2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.665 -1.636 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.021 -2.892 -1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.230 -0.995 -0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.761 -2.216 0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.332 -3.432 -0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.923 -3.830 -1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.082 -2.982 -2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.572 -2.455 -2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.502 -1.444 -1.994 1.00 0.00 H new ATOM 1115 N GLY A 77 11.433 1.644 -2.650 1.00 0.00 N ATOM 1116 CA GLY A 77 10.897 2.498 -3.694 1.00 0.00 C ATOM 1117 C GLY A 77 11.566 3.858 -3.731 1.00 0.00 C ATOM 1118 O GLY A 77 11.473 4.577 -4.725 1.00 0.00 O ATOM 0 H GLY A 77 10.732 1.206 -2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.022 2.008 -4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.826 2.627 -3.539 1.00 0.00 H new ATOM 1122 N GLY A 78 12.242 4.213 -2.642 1.00 0.00 N ATOM 1123 CA GLY A 78 12.918 5.495 -2.574 1.00 0.00 C ATOM 1124 C GLY A 78 11.972 6.632 -2.243 1.00 0.00 C ATOM 1125 O GLY A 78 11.306 6.613 -1.208 1.00 0.00 O ATOM 0 H GLY A 78 12.333 3.635 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.703 5.449 -1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.404 5.697 -3.528 1.00 0.00 H new ATOM 1129 N ASP A 79 11.913 7.626 -3.123 1.00 0.00 N ATOM 1130 CA ASP A 79 11.042 8.777 -2.919 1.00 0.00 C ATOM 1131 C ASP A 79 9.581 8.401 -3.148 1.00 0.00 C ATOM 1132 O ASP A 79 8.730 8.633 -2.291 1.00 0.00 O ATOM 1133 CB ASP A 79 11.441 9.918 -3.856 1.00 0.00 C ATOM 1134 CG ASP A 79 11.410 9.507 -5.315 1.00 0.00 C ATOM 1135 OD1 ASP A 79 12.038 8.482 -5.656 1.00 0.00 O ATOM 1136 OD2 ASP A 79 10.757 10.208 -6.115 1.00 0.00 O ATOM 0 H ASP A 79 12.458 7.657 -3.984 1.00 0.00 H new ATOM 0 HA ASP A 79 11.155 9.109 -1.887 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.767 10.761 -3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.443 10.261 -3.599 1.00 0.00 H new ATOM 1141 N GLN A 80 9.300 7.821 -4.311 1.00 0.00 N ATOM 1142 CA GLN A 80 7.942 7.415 -4.653 1.00 0.00 C ATOM 1143 C GLN A 80 7.851 5.902 -4.815 1.00 0.00 C ATOM 1144 O GLN A 80 8.836 5.241 -5.149 1.00 0.00 O ATOM 1145 CB GLN A 80 7.490 8.106 -5.941 1.00 0.00 C ATOM 1146 CG GLN A 80 7.984 7.421 -7.204 1.00 0.00 C ATOM 1147 CD GLN A 80 7.368 8.001 -8.462 1.00 0.00 C ATOM 1148 OE1 GLN A 80 7.604 9.160 -8.805 1.00 0.00 O ATOM 1149 NE2 GLN A 80 6.572 7.197 -9.157 1.00 0.00 N ATOM 0 H GLN A 80 9.994 7.622 -5.031 1.00 0.00 H new ATOM 0 HA GLN A 80 7.284 7.715 -3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.401 8.144 -5.960 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.845 9.137 -5.934 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.069 7.511 -7.261 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.755 6.357 -7.149 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.404 6.243 -8.836 1.00 0.00 H new ATOM 0 HE22 GLN A 80 6.128 7.533 -10.012 1.00 0.00 H new ATOM 1158 N THR A 81 6.663 5.356 -4.576 1.00 0.00 N ATOM 1159 CA THR A 81 6.443 3.920 -4.694 1.00 0.00 C ATOM 1160 C THR A 81 5.012 3.616 -5.123 1.00 0.00 C ATOM 1161 O THR A 81 4.082 4.350 -4.787 1.00 0.00 O ATOM 1162 CB THR A 81 6.733 3.197 -3.365 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.559 1.785 -3.528 1.00 0.00 O ATOM 1164 CG2 THR A 81 5.815 3.702 -2.262 1.00 0.00 C ATOM 0 H THR A 81 5.837 5.887 -4.299 1.00 0.00 H new ATOM 0 HA THR A 81 7.132 3.556 -5.456 1.00 0.00 H new ATOM 0 HB THR A 81 7.764 3.406 -3.081 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.522 1.568 -4.483 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.039 3.177 -1.333 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.971 4.772 -2.120 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.777 3.520 -2.541 1.00 0.00 H new ATOM 1172 N THR A 82 4.841 2.528 -5.868 1.00 0.00 N ATOM 1173 CA THR A 82 3.524 2.127 -6.344 1.00 0.00 C ATOM 1174 C THR A 82 2.946 1.008 -5.484 1.00 0.00 C ATOM 1175 O THR A 82 3.658 0.085 -5.088 1.00 0.00 O ATOM 1176 CB THR A 82 3.574 1.659 -7.810 1.00 0.00 C ATOM 1177 OG1 THR A 82 4.261 2.627 -8.610 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.172 1.444 -8.358 1.00 0.00 C ATOM 0 H THR A 82 5.599 1.909 -6.155 1.00 0.00 H new ATOM 0 HA THR A 82 2.882 3.005 -6.273 1.00 0.00 H new ATOM 0 HB THR A 82 4.110 0.711 -7.847 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.290 2.321 -9.541 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.233 1.114 -9.395 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.662 0.685 -7.765 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.614 2.379 -8.307 1.00 0.00 H new ATOM 1186 N LEU A 83 1.651 1.095 -5.201 1.00 0.00 N ATOM 1187 CA LEU A 83 0.976 0.089 -4.388 1.00 0.00 C ATOM 1188 C LEU A 83 -0.144 -0.584 -5.175 1.00 0.00 C ATOM 1189 O LEU A 83 -0.834 0.059 -5.967 1.00 0.00 O ATOM 1190 CB LEU A 83 0.411 0.725 -3.118 1.00 0.00 C ATOM 1191 CG LEU A 83 1.181 1.928 -2.570 1.00 0.00 C ATOM 1192 CD1 LEU A 83 0.475 2.504 -1.352 1.00 0.00 C ATOM 1193 CD2 LEU A 83 2.610 1.535 -2.225 1.00 0.00 C ATOM 0 H LEU A 83 1.047 1.852 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 83 1.708 -0.670 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.615 1.035 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.369 -0.038 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 83 1.214 2.696 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.037 3.359 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.529 2.824 -1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.410 1.742 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.142 2.403 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.599 0.749 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.114 1.171 -3.121 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.321 -1.882 -4.950 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.359 -2.643 -5.636 1.00 0.00 C ATOM 1207 C LEU A 84 -2.333 -3.258 -4.636 1.00 0.00 C ATOM 1208 O LEU A 84 -2.054 -4.298 -4.040 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.731 -3.741 -6.495 1.00 0.00 C ATOM 1210 CG LEU A 84 -1.707 -4.642 -7.253 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.380 -3.871 -8.378 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -0.989 -5.867 -7.798 1.00 0.00 C ATOM 0 H LEU A 84 0.241 -2.429 -4.298 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.911 -1.959 -6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.064 -3.272 -7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.113 -4.368 -5.852 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.477 -4.977 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.071 -4.528 -8.907 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.929 -3.026 -7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.623 -3.506 -9.072 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.699 -6.496 -8.334 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.197 -5.552 -8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.555 -6.432 -6.973 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.480 -2.609 -4.459 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.498 -3.093 -3.534 1.00 0.00 C ATOM 1226 C VAL A 85 -5.733 -3.580 -4.283 1.00 0.00 C ATOM 1227 O VAL A 85 -5.984 -3.176 -5.419 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.915 -1.998 -2.535 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.703 -1.202 -2.078 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -5.961 -1.083 -3.154 1.00 0.00 C ATOM 0 H VAL A 85 -3.727 -1.747 -4.944 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.057 -3.925 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.356 -2.477 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.018 -0.433 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.991 -1.870 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.230 -0.732 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.244 -0.315 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.549 -0.610 -4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.840 -1.667 -3.426 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.503 -4.451 -3.640 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.714 -4.994 -4.244 1.00 0.00 C ATOM 1242 C LEU A 86 -8.943 -4.206 -3.804 1.00 0.00 C ATOM 1243 O LEU A 86 -9.047 -3.793 -2.648 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.878 -6.468 -3.869 1.00 0.00 C ATOM 1245 CG LEU A 86 -7.232 -7.478 -4.818 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -7.988 -7.532 -6.136 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -5.770 -7.128 -5.054 1.00 0.00 C ATOM 0 H LEU A 86 -6.310 -4.796 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.620 -4.909 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.461 -6.617 -2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.943 -6.690 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.279 -8.464 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.513 -8.256 -6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.020 -7.831 -5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.973 -6.548 -6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.326 -7.857 -5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.701 -6.134 -5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.235 -7.142 -4.105 1.00 0.00 H new