USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 ASN : amide:sc=-0.00598 X(o=-0.006,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 0.661 (180deg=0.511) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.662 K(o=0.66,f=-1.5) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.148 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 179:sc= -0.379 (180deg=-0.391) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -20:sc= 0.206! USER MOD Single : A 40 GLN : amide:sc= -0.0867 K(o=-0.087,f=-2.2) USER MOD Single : A 48 CYS SG : rot -140:sc= -0.686 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0307 X(o=-0.031,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 60 ASN : amide:sc= 0.599 K(o=0.6,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc=-0.00229 (180deg=-0.0922) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.414 2.085 -20.420 1.00 25.00 N ATOM 81 CA LEU A 6 9.675 1.775 -21.829 1.00 25.00 C ATOM 82 C LEU A 6 8.413 1.952 -22.670 1.00 25.00 C ATOM 83 O LEU A 6 8.466 2.522 -23.754 1.00 25.00 O ATOM 84 CB LEU A 6 10.197 0.343 -21.975 1.00 25.00 C ATOM 85 CG LEU A 6 11.527 0.049 -21.262 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.787 -1.440 -21.299 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.709 0.790 -21.907 1.00 25.00 C ATOM 0 HA LEU A 6 10.434 2.470 -22.189 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.440 -0.342 -21.593 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.317 0.125 -23.036 1.00 25.00 H new ATOM 0 HG LEU A 6 11.441 0.402 -20.234 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.729 -1.658 -20.795 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.976 -1.964 -20.793 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.844 -1.774 -22.335 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.626 0.551 -21.369 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.808 0.481 -22.948 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.532 1.865 -21.863 1.00 25.00 H new ATOM 99 N ASN A 7 7.286 1.476 -22.142 1.00 25.00 N ATOM 100 CA ASN A 7 5.963 1.628 -22.774 1.00 25.00 C ATOM 101 C ASN A 7 5.937 1.213 -24.252 1.00 25.00 C ATOM 102 O ASN A 7 5.288 1.857 -25.076 1.00 25.00 O ATOM 103 CB ASN A 7 5.473 3.077 -22.638 1.00 25.00 C ATOM 104 CG ASN A 7 5.233 3.474 -21.212 1.00 25.00 C ATOM 105 OD1 ASN A 7 4.401 2.907 -20.533 1.00 25.00 O ATOM 106 ND2 ASN A 7 5.956 4.453 -20.750 1.00 25.00 N ATOM 0 H ASN A 7 7.258 0.969 -21.257 1.00 25.00 H new ATOM 0 HA ASN A 7 5.295 0.949 -22.244 1.00 25.00 H new ATOM 0 HB2 ASN A 7 6.210 3.748 -23.079 1.00 25.00 H new ATOM 0 HB3 ASN A 7 4.550 3.199 -23.205 1.00 25.00 H new ATOM 0 HD21 ASN A 7 5.833 4.768 -19.788 1.00 25.00 H new ATOM 0 HD22 ASN A 7 6.645 4.905 -21.350 1.00 25.00 H new ATOM 113 N VAL A 8 6.640 0.144 -24.587 1.00 25.00 N ATOM 114 CA VAL A 8 6.709 -0.324 -25.971 1.00 25.00 C ATOM 115 C VAL A 8 6.054 -1.690 -26.019 1.00 25.00 C ATOM 116 O VAL A 8 6.146 -2.453 -25.081 1.00 25.00 O ATOM 117 CB VAL A 8 8.183 -0.352 -26.486 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.054 -1.338 -25.677 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.239 -0.685 -27.985 1.00 25.00 C ATOM 0 H VAL A 8 7.172 -0.419 -23.924 1.00 25.00 H new ATOM 0 HA VAL A 8 6.180 0.358 -26.637 1.00 25.00 H new ATOM 0 HB VAL A 8 8.593 0.647 -26.340 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.072 -1.328 -26.066 1.00 25.00 H new ATOM 0 HG12 VAL A 8 9.063 -1.039 -24.629 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.642 -2.343 -25.764 1.00 25.00 H new ATOM 0 HG21 VAL A 8 9.277 -0.698 -28.316 1.00 25.00 H new ATOM 0 HG22 VAL A 8 7.791 -1.664 -28.157 1.00 25.00 H new ATOM 0 HG23 VAL A 8 7.688 0.070 -28.546 1.00 25.00 H new ATOM 129 N LEU A 9 5.318 -1.969 -27.080 1.00 25.00 N ATOM 130 CA LEU A 9 4.544 -3.208 -27.154 1.00 25.00 C ATOM 131 C LEU A 9 5.236 -4.257 -28.004 1.00 25.00 C ATOM 132 O LEU A 9 6.022 -3.948 -28.906 1.00 25.00 O ATOM 133 CB LEU A 9 3.122 -2.972 -27.692 1.00 25.00 C ATOM 134 CG LEU A 9 2.834 -1.699 -28.497 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.662 -1.962 -29.433 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.499 -0.530 -27.557 1.00 25.00 C ATOM 0 H LEU A 9 5.236 -1.365 -27.898 1.00 25.00 H new ATOM 0 HA LEU A 9 4.471 -3.576 -26.131 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.862 -3.824 -28.320 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.442 -2.984 -26.840 1.00 25.00 H new ATOM 0 HG LEU A 9 3.719 -1.431 -29.074 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.449 -1.063 -30.011 1.00 25.00 H new ATOM 0 HD12 LEU A 9 1.914 -2.777 -30.111 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.783 -2.235 -28.848 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.298 0.365 -28.146 1.00 25.00 H new ATOM 0 HD22 LEU A 9 1.619 -0.780 -26.965 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.343 -0.344 -26.892 1.00 25.00 H new ATOM 148 N ALA A 10 4.919 -5.504 -27.712 1.00 25.00 N ATOM 149 CA ALA A 10 5.494 -6.637 -28.415 1.00 25.00 C ATOM 150 C ALA A 10 4.408 -7.663 -28.720 1.00 25.00 C ATOM 151 O ALA A 10 3.479 -7.847 -27.931 1.00 25.00 O ATOM 152 CB ALA A 10 6.586 -7.260 -27.552 1.00 25.00 C ATOM 0 H ALA A 10 4.256 -5.761 -26.981 1.00 25.00 H new ATOM 0 HA ALA A 10 5.929 -6.303 -29.357 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.022 -8.112 -28.075 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.361 -6.519 -27.356 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.157 -7.595 -26.608 1.00 25.00 H new ATOM 158 N LYS A 11 4.549 -8.354 -29.842 1.00 25.00 N ATOM 159 CA LYS A 11 3.633 -9.435 -30.207 1.00 25.00 C ATOM 160 C LYS A 11 4.265 -10.745 -29.790 1.00 25.00 C ATOM 161 O LYS A 11 5.439 -10.977 -30.076 1.00 25.00 O ATOM 162 CB LYS A 11 3.385 -9.465 -31.716 1.00 25.00 C ATOM 163 CG LYS A 11 2.307 -10.490 -32.120 1.00 25.00 C ATOM 164 CD LYS A 11 2.195 -10.669 -33.623 1.00 25.00 C ATOM 165 CE LYS A 11 3.295 -11.583 -34.170 1.00 25.00 C ATOM 166 NZ LYS A 11 3.127 -13.013 -33.709 1.00 25.00 N ATOM 0 H LYS A 11 5.292 -8.187 -30.521 1.00 25.00 H new ATOM 0 HA LYS A 11 2.678 -9.276 -29.707 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.081 -8.473 -32.050 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.317 -9.702 -32.229 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.537 -11.451 -31.661 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.343 -10.171 -31.725 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.219 -11.088 -33.867 1.00 25.00 H new ATOM 0 HD3 LYS A 11 2.255 -9.696 -34.110 1.00 25.00 H new ATOM 0 HE2 LYS A 11 3.285 -11.550 -35.259 1.00 25.00 H new ATOM 0 HE3 LYS A 11 4.268 -11.211 -33.849 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 3.761 -13.631 -34.255 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 3.363 -13.082 -32.698 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.142 -13.311 -33.856 1.00 25.00 H new ATOM 180 N ALA A 12 3.495 -11.620 -29.165 1.00 25.00 N ATOM 181 CA ALA A 12 4.000 -12.931 -28.793 1.00 25.00 C ATOM 182 C ALA A 12 4.147 -13.807 -30.033 1.00 25.00 C ATOM 183 O ALA A 12 3.280 -13.830 -30.920 1.00 25.00 O ATOM 184 CB ALA A 12 3.064 -13.570 -27.803 1.00 25.00 C ATOM 0 H ALA A 12 2.524 -11.448 -28.906 1.00 25.00 H new ATOM 0 HA ALA A 12 4.981 -12.822 -28.331 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.444 -14.553 -27.525 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.992 -12.944 -26.914 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.077 -13.677 -28.252 1.00 25.00 H new ATOM 190 N LEU A 13 5.257 -14.517 -30.096 1.00 25.00 N ATOM 191 CA LEU A 13 5.563 -15.419 -31.201 1.00 25.00 C ATOM 192 C LEU A 13 5.122 -16.827 -30.833 1.00 25.00 C ATOM 193 O LEU A 13 4.661 -17.588 -31.679 1.00 25.00 O ATOM 194 CB LEU A 13 7.071 -15.416 -31.471 1.00 25.00 C ATOM 195 CG LEU A 13 7.690 -14.069 -31.882 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.205 -14.198 -31.915 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.170 -13.609 -33.255 1.00 25.00 C ATOM 0 H LEU A 13 5.981 -14.487 -29.378 1.00 25.00 H new ATOM 0 HA LEU A 13 5.036 -15.087 -32.096 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.580 -15.766 -30.573 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.279 -16.141 -32.258 1.00 25.00 H new ATOM 0 HG LEU A 13 7.400 -13.318 -31.147 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.645 -13.244 -32.206 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.568 -14.478 -30.926 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.489 -14.964 -32.636 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.627 -12.654 -33.516 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.427 -14.353 -34.009 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.087 -13.494 -33.214 1.00 25.00 H new ATOM 209 N TYR A 14 5.248 -17.139 -29.554 1.00 25.00 N ATOM 210 CA TYR A 14 4.877 -18.445 -29.012 1.00 25.00 C ATOM 211 C TYR A 14 3.908 -18.179 -27.883 1.00 25.00 C ATOM 212 O TYR A 14 3.815 -17.049 -27.419 1.00 25.00 O ATOM 213 CB TYR A 14 6.111 -19.171 -28.475 1.00 25.00 C ATOM 214 CG TYR A 14 7.285 -19.165 -29.432 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.427 -20.155 -30.422 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.268 -18.161 -29.342 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.534 -20.132 -31.313 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.373 -18.137 -30.215 1.00 25.00 C ATOM 219 CZ TYR A 14 9.497 -19.126 -31.201 1.00 25.00 C ATOM 220 OH TYR A 14 10.560 -19.117 -32.066 1.00 25.00 O ATOM 0 H TYR A 14 5.612 -16.492 -28.854 1.00 25.00 H new ATOM 0 HA TYR A 14 4.432 -19.075 -29.783 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.416 -18.706 -27.537 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.844 -20.203 -28.248 1.00 25.00 H new ATOM 0 HD1 TYR A 14 6.689 -20.939 -30.505 1.00 25.00 H new ATOM 0 HD2 TYR A 14 8.173 -17.394 -28.588 1.00 25.00 H new ATOM 0 HE1 TYR A 14 8.631 -20.891 -32.075 1.00 25.00 H new ATOM 0 HE2 TYR A 14 10.120 -17.362 -30.125 1.00 25.00 H new ATOM 0 HH TYR A 14 11.142 -18.355 -31.862 1.00 25.00 H new ATOM 230 N ASP A 15 3.196 -19.194 -27.433 1.00 25.00 N ATOM 231 CA ASP A 15 2.320 -19.069 -26.272 1.00 25.00 C ATOM 232 C ASP A 15 3.098 -19.460 -25.025 1.00 25.00 C ATOM 233 O ASP A 15 4.193 -20.026 -25.114 1.00 25.00 O ATOM 234 CB ASP A 15 1.081 -19.959 -26.434 1.00 25.00 C ATOM 235 CG ASP A 15 1.432 -21.411 -26.685 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.959 -21.706 -27.787 1.00 25.00 O ATOM 237 OD2 ASP A 15 1.081 -22.259 -25.854 1.00 25.00 O ATOM 0 H ASP A 15 3.204 -20.123 -27.854 1.00 25.00 H new ATOM 0 HA ASP A 15 1.980 -18.037 -26.181 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.468 -19.888 -25.536 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.478 -19.587 -27.262 1.00 25.00 H new ATOM 242 N ASN A 16 2.549 -19.118 -23.871 1.00 25.00 N ATOM 243 CA ASN A 16 3.169 -19.423 -22.589 1.00 25.00 C ATOM 244 C ASN A 16 2.095 -19.560 -21.516 1.00 25.00 C ATOM 245 O ASN A 16 1.447 -18.578 -21.136 1.00 25.00 O ATOM 246 CB ASN A 16 4.135 -18.301 -22.210 1.00 25.00 C ATOM 247 CG ASN A 16 5.134 -18.715 -21.164 1.00 25.00 C ATOM 248 OD1 ASN A 16 6.255 -19.072 -21.493 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.756 -18.645 -19.920 1.00 25.00 N ATOM 0 H ASN A 16 1.661 -18.621 -23.795 1.00 25.00 H new ATOM 0 HA ASN A 16 3.717 -20.362 -22.668 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.667 -17.970 -23.102 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.566 -17.447 -21.843 1.00 25.00 H new ATOM 0 HD21 ASN A 16 5.406 -18.894 -19.175 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.810 -18.341 -19.691 1.00 25.00 H new ATOM 256 N VAL A 17 1.890 -20.774 -21.035 1.00 25.00 N ATOM 257 CA VAL A 17 0.967 -21.008 -19.932 1.00 25.00 C ATOM 258 C VAL A 17 1.728 -20.571 -18.697 1.00 25.00 C ATOM 259 O VAL A 17 2.881 -20.936 -18.538 1.00 25.00 O ATOM 260 CB VAL A 17 0.579 -22.511 -19.811 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.316 -22.754 -18.585 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.148 -22.978 -21.088 1.00 25.00 C ATOM 0 H VAL A 17 2.348 -21.614 -21.389 1.00 25.00 H new ATOM 0 HA VAL A 17 0.033 -20.464 -20.075 1.00 25.00 H new ATOM 0 HB VAL A 17 1.497 -23.086 -19.687 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -0.572 -23.812 -18.525 1.00 25.00 H new ATOM 0 HG12 VAL A 17 0.217 -22.458 -17.681 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.228 -22.165 -18.678 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -0.414 -24.031 -20.991 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.053 -22.387 -21.229 1.00 25.00 H new ATOM 0 HG23 VAL A 17 0.508 -22.847 -21.949 1.00 25.00 H new ATOM 272 N ALA A 18 1.100 -19.774 -17.848 1.00 25.00 N ATOM 273 CA ALA A 18 1.749 -19.353 -16.618 1.00 25.00 C ATOM 274 C ALA A 18 1.708 -20.533 -15.651 1.00 25.00 C ATOM 275 O ALA A 18 0.629 -20.957 -15.233 1.00 25.00 O ATOM 276 CB ALA A 18 1.024 -18.146 -16.019 1.00 25.00 C ATOM 0 H ALA A 18 0.157 -19.411 -17.984 1.00 25.00 H new ATOM 0 HA ALA A 18 2.779 -19.055 -16.812 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.522 -17.843 -15.098 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.043 -17.321 -16.731 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -0.010 -18.414 -15.801 1.00 25.00 H new ATOM 282 N GLU A 19 2.869 -21.066 -15.309 1.00 25.00 N ATOM 283 CA GLU A 19 2.956 -22.209 -14.394 1.00 25.00 C ATOM 284 C GLU A 19 3.240 -21.681 -12.996 1.00 25.00 C ATOM 285 O GLU A 19 3.222 -22.404 -12.006 1.00 25.00 O ATOM 286 CB GLU A 19 4.061 -23.168 -14.842 1.00 25.00 C ATOM 287 CG GLU A 19 3.907 -23.579 -16.297 1.00 25.00 C ATOM 288 CD GLU A 19 4.715 -24.827 -16.658 1.00 25.00 C ATOM 289 OE1 GLU A 19 5.964 -24.780 -16.605 1.00 25.00 O ATOM 290 OE2 GLU A 19 4.096 -25.854 -17.023 1.00 25.00 O ATOM 0 H GLU A 19 3.770 -20.730 -15.648 1.00 25.00 H new ATOM 0 HA GLU A 19 2.016 -22.762 -14.397 1.00 25.00 H new ATOM 0 HB2 GLU A 19 5.032 -22.693 -14.701 1.00 25.00 H new ATOM 0 HB3 GLU A 19 4.047 -24.057 -14.211 1.00 25.00 H new ATOM 0 HG2 GLU A 19 2.853 -23.763 -16.507 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.220 -22.754 -16.936 1.00 25.00 H new ATOM 297 N SER A 20 3.480 -20.381 -12.944 1.00 25.00 N ATOM 298 CA SER A 20 3.739 -19.665 -11.705 1.00 25.00 C ATOM 299 C SER A 20 2.860 -18.413 -11.714 1.00 25.00 C ATOM 300 O SER A 20 2.548 -17.892 -12.778 1.00 25.00 O ATOM 301 CB SER A 20 5.217 -19.297 -11.648 1.00 25.00 C ATOM 302 OG SER A 20 6.008 -20.455 -11.439 1.00 25.00 O ATOM 0 H SER A 20 3.501 -19.785 -13.772 1.00 25.00 H new ATOM 0 HA SER A 20 3.507 -20.271 -10.829 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.513 -18.810 -12.577 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.389 -18.581 -10.844 1.00 25.00 H new ATOM 0 HG SER A 20 6.955 -20.203 -11.406 1.00 25.00 H new ATOM 308 N PRO A 21 2.424 -17.927 -10.537 1.00 25.00 N ATOM 309 CA PRO A 21 1.483 -16.798 -10.613 1.00 25.00 C ATOM 310 C PRO A 21 2.103 -15.464 -11.040 1.00 25.00 C ATOM 311 O PRO A 21 1.412 -14.595 -11.564 1.00 25.00 O ATOM 312 CB PRO A 21 0.941 -16.714 -9.183 1.00 25.00 C ATOM 313 CG PRO A 21 2.060 -17.219 -8.338 1.00 25.00 C ATOM 314 CD PRO A 21 2.653 -18.356 -9.143 1.00 25.00 C ATOM 0 HA PRO A 21 0.731 -16.971 -11.383 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.672 -15.691 -8.918 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.044 -17.321 -9.061 1.00 25.00 H new ATOM 0 HG2 PRO A 21 2.798 -16.439 -8.147 1.00 25.00 H new ATOM 0 HG3 PRO A 21 1.702 -17.563 -7.368 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.714 -18.491 -8.931 1.00 25.00 H new ATOM 0 HD3 PRO A 21 2.161 -19.304 -8.926 1.00 25.00 H new ATOM 322 N ASP A 22 3.402 -15.307 -10.816 1.00 25.00 N ATOM 323 CA ASP A 22 4.108 -14.072 -11.173 1.00 25.00 C ATOM 324 C ASP A 22 4.408 -14.038 -12.667 1.00 25.00 C ATOM 325 O ASP A 22 4.729 -12.998 -13.239 1.00 25.00 O ATOM 326 CB ASP A 22 5.425 -14.002 -10.404 1.00 25.00 C ATOM 327 CG ASP A 22 5.214 -13.971 -8.910 1.00 25.00 C ATOM 328 OD1 ASP A 22 5.146 -12.867 -8.335 1.00 25.00 O ATOM 329 OD2 ASP A 22 5.105 -15.063 -8.304 1.00 25.00 O ATOM 0 H ASP A 22 3.994 -16.019 -10.388 1.00 25.00 H new ATOM 0 HA ASP A 22 3.474 -13.223 -10.917 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.041 -14.863 -10.664 1.00 25.00 H new ATOM 0 HB3 ASP A 22 5.975 -13.112 -10.710 1.00 25.00 H new ATOM 334 N GLU A 23 4.296 -15.194 -13.298 1.00 25.00 N ATOM 335 CA GLU A 23 4.525 -15.324 -14.727 1.00 25.00 C ATOM 336 C GLU A 23 3.255 -14.874 -15.433 1.00 25.00 C ATOM 337 O GLU A 23 2.149 -15.145 -14.958 1.00 25.00 O ATOM 338 CB GLU A 23 4.830 -16.783 -15.053 1.00 25.00 C ATOM 339 CG GLU A 23 5.313 -17.028 -16.459 1.00 25.00 C ATOM 340 CD GLU A 23 5.663 -18.490 -16.686 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.102 -19.361 -15.981 1.00 25.00 O ATOM 342 OE2 GLU A 23 6.481 -18.770 -17.590 1.00 25.00 O ATOM 0 H GLU A 23 4.044 -16.068 -12.835 1.00 25.00 H new ATOM 0 HA GLU A 23 5.369 -14.716 -15.053 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.585 -17.146 -14.356 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.930 -17.374 -14.885 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.542 -16.724 -17.167 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.188 -16.409 -16.656 1.00 25.00 H new ATOM 349 N LEU A 24 3.380 -14.179 -16.547 1.00 25.00 N ATOM 350 CA LEU A 24 2.197 -13.746 -17.276 1.00 25.00 C ATOM 351 C LEU A 24 1.749 -14.836 -18.244 1.00 25.00 C ATOM 352 O LEU A 24 2.539 -15.346 -19.039 1.00 25.00 O ATOM 353 CB LEU A 24 2.471 -12.456 -18.047 1.00 25.00 C ATOM 354 CG LEU A 24 1.479 -11.317 -17.770 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.904 -10.095 -18.564 1.00 25.00 C ATOM 356 CD2 LEU A 24 0.035 -11.693 -18.119 1.00 25.00 C ATOM 0 H LEU A 24 4.270 -13.905 -16.964 1.00 25.00 H new ATOM 0 HA LEU A 24 1.405 -13.556 -16.552 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.476 -12.111 -17.804 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.459 -12.678 -19.114 1.00 25.00 H new ATOM 0 HG LEU A 24 1.498 -11.108 -16.700 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.207 -9.278 -18.376 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.906 -9.794 -18.260 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.904 -10.334 -19.627 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.623 -10.851 -17.903 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.030 -11.942 -19.178 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.271 -12.554 -17.524 1.00 25.00 H new ATOM 368 N SER A 25 0.469 -15.167 -18.201 1.00 25.00 N ATOM 369 CA SER A 25 -0.115 -16.109 -19.136 1.00 25.00 C ATOM 370 C SER A 25 -0.442 -15.353 -20.419 1.00 25.00 C ATOM 371 O SER A 25 -1.268 -14.442 -20.411 1.00 25.00 O ATOM 372 CB SER A 25 -1.389 -16.699 -18.536 1.00 25.00 C ATOM 373 OG SER A 25 -1.802 -15.949 -17.396 1.00 25.00 O ATOM 0 H SER A 25 -0.190 -14.791 -17.520 1.00 25.00 H new ATOM 0 HA SER A 25 0.578 -16.923 -19.347 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.182 -16.701 -19.284 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.216 -17.737 -18.252 1.00 25.00 H new ATOM 0 HG SER A 25 -2.621 -16.341 -17.026 1.00 25.00 H new ATOM 379 N PHE A 26 0.206 -15.719 -21.513 1.00 25.00 N ATOM 380 CA PHE A 26 -0.040 -15.062 -22.797 1.00 25.00 C ATOM 381 C PHE A 26 -0.013 -16.092 -23.904 1.00 25.00 C ATOM 382 O PHE A 26 0.418 -17.223 -23.702 1.00 25.00 O ATOM 383 CB PHE A 26 0.995 -13.960 -23.064 1.00 25.00 C ATOM 384 CG PHE A 26 2.403 -14.461 -23.202 1.00 25.00 C ATOM 385 CD1 PHE A 26 3.246 -14.504 -22.083 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.905 -14.865 -24.456 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.574 -14.949 -22.202 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.246 -15.301 -24.593 1.00 25.00 C ATOM 389 CZ PHE A 26 5.081 -15.343 -23.460 1.00 25.00 C ATOM 0 H PHE A 26 0.903 -16.463 -21.543 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.022 -14.591 -22.765 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.718 -13.430 -23.976 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.957 -13.236 -22.250 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.871 -14.192 -21.119 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.260 -14.842 -25.322 1.00 25.00 H new ATOM 0 HE1 PHE A 26 5.208 -14.990 -21.329 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.625 -15.599 -25.559 1.00 25.00 H new ATOM 0 HZ PHE A 26 6.105 -15.675 -23.553 1.00 25.00 H new ATOM 399 N ARG A 27 -0.497 -15.722 -25.081 1.00 25.00 N ATOM 400 CA ARG A 27 -0.556 -16.666 -26.197 1.00 25.00 C ATOM 401 C ARG A 27 0.047 -16.092 -27.451 1.00 25.00 C ATOM 402 O ARG A 27 0.069 -14.886 -27.642 1.00 25.00 O ATOM 403 CB ARG A 27 -1.999 -17.090 -26.458 1.00 25.00 C ATOM 404 CG ARG A 27 -2.610 -17.834 -25.277 1.00 25.00 C ATOM 405 CD ARG A 27 -3.996 -18.341 -25.596 1.00 25.00 C ATOM 406 NE ARG A 27 -4.951 -17.233 -25.783 1.00 25.00 N ATOM 407 CZ ARG A 27 -6.252 -17.369 -26.017 1.00 25.00 C ATOM 408 NH1 ARG A 27 -6.826 -18.543 -26.122 1.00 25.00 N ATOM 409 NH2 ARG A 27 -6.989 -16.306 -26.154 1.00 25.00 N ATOM 0 H ARG A 27 -0.851 -14.789 -25.291 1.00 25.00 H new ATOM 0 HA ARG A 27 0.032 -17.539 -25.916 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.600 -16.207 -26.678 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.033 -17.727 -27.342 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -1.969 -18.672 -25.004 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -2.654 -17.172 -24.413 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -3.962 -18.949 -26.500 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.342 -18.988 -24.790 1.00 25.00 H new ATOM 0 HE ARG A 27 -4.582 -16.284 -25.728 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -6.271 -19.393 -26.024 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -7.828 -18.607 -26.302 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -6.567 -15.380 -26.082 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -7.989 -16.398 -26.334 1.00 25.00 H new ATOM 423 N LYS A 28 0.502 -16.967 -28.326 1.00 25.00 N ATOM 424 CA LYS A 28 1.043 -16.556 -29.623 1.00 25.00 C ATOM 425 C LYS A 28 0.035 -15.695 -30.376 1.00 25.00 C ATOM 426 O LYS A 28 -1.136 -16.048 -30.501 1.00 25.00 O ATOM 427 CB LYS A 28 1.441 -17.779 -30.473 1.00 25.00 C ATOM 428 CG LYS A 28 0.470 -18.979 -30.431 1.00 25.00 C ATOM 429 CD LYS A 28 -0.255 -19.177 -31.754 1.00 25.00 C ATOM 430 CE LYS A 28 -1.196 -20.377 -31.660 1.00 25.00 C ATOM 431 NZ LYS A 28 -1.967 -20.592 -32.931 1.00 25.00 N ATOM 0 H LYS A 28 0.511 -17.975 -28.168 1.00 25.00 H new ATOM 0 HA LYS A 28 1.940 -15.965 -29.438 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.545 -17.458 -31.509 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.423 -18.120 -30.145 1.00 25.00 H new ATOM 0 HG2 LYS A 28 1.024 -19.884 -30.183 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.261 -18.825 -29.637 1.00 25.00 H new ATOM 0 HD2 LYS A 28 -0.821 -18.280 -32.006 1.00 25.00 H new ATOM 0 HD3 LYS A 28 0.468 -19.333 -32.554 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -0.619 -21.273 -31.431 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -1.892 -20.227 -30.835 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -2.592 -21.416 -32.823 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 -2.539 -19.748 -33.137 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 -1.304 -20.761 -33.715 1.00 25.00 H new ATOM 445 N GLY A 29 0.503 -14.551 -30.855 1.00 25.00 N ATOM 446 CA GLY A 29 -0.340 -13.613 -31.581 1.00 25.00 C ATOM 447 C GLY A 29 -0.840 -12.461 -30.724 1.00 25.00 C ATOM 448 O GLY A 29 -1.195 -11.420 -31.257 1.00 25.00 O ATOM 0 H GLY A 29 1.472 -14.249 -30.752 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.220 -13.211 -32.425 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.196 -14.148 -31.992 1.00 25.00 H new ATOM 452 N ASP A 30 -0.858 -12.642 -29.412 1.00 25.00 N ATOM 453 CA ASP A 30 -1.347 -11.611 -28.491 1.00 25.00 C ATOM 454 C ASP A 30 -0.355 -10.451 -28.403 1.00 25.00 C ATOM 455 O ASP A 30 0.821 -10.599 -28.771 1.00 25.00 O ATOM 456 CB ASP A 30 -1.566 -12.229 -27.107 1.00 25.00 C ATOM 457 CG ASP A 30 -2.719 -11.602 -26.356 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.277 -12.295 -25.476 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.112 -10.462 -26.674 1.00 25.00 O ATOM 0 H ASP A 30 -0.539 -13.496 -28.953 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.292 -11.219 -28.866 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.750 -13.298 -27.217 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.655 -12.121 -26.519 1.00 25.00 H new ATOM 464 N ILE A 31 -0.829 -9.306 -27.933 1.00 25.00 N ATOM 465 CA ILE A 31 -0.032 -8.079 -27.849 1.00 25.00 C ATOM 466 C ILE A 31 0.047 -7.641 -26.392 1.00 25.00 C ATOM 467 O ILE A 31 -0.976 -7.511 -25.736 1.00 25.00 O ATOM 468 CB ILE A 31 -0.700 -6.907 -28.648 1.00 25.00 C ATOM 469 CG1 ILE A 31 -1.071 -7.337 -30.087 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.219 -5.646 -28.655 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.107 -7.686 -30.983 1.00 25.00 C ATOM 0 H ILE A 31 -1.785 -9.196 -27.595 1.00 25.00 H new ATOM 0 HA ILE A 31 0.952 -8.291 -28.267 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.628 -6.647 -28.139 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.733 -8.201 -30.031 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.637 -6.532 -30.555 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.265 -4.846 -29.215 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.394 -5.317 -27.630 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.171 -5.892 -29.124 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.258 -7.974 -31.969 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.761 -6.819 -31.078 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.664 -8.515 -30.546 1.00 25.00 H new ATOM 483 N MET A 32 1.249 -7.389 -25.893 1.00 25.00 N ATOM 484 CA MET A 32 1.417 -6.917 -24.512 1.00 25.00 C ATOM 485 C MET A 32 2.422 -5.783 -24.464 1.00 25.00 C ATOM 486 O MET A 32 3.352 -5.721 -25.274 1.00 25.00 O ATOM 487 CB MET A 32 1.856 -8.066 -23.599 1.00 25.00 C ATOM 488 CG MET A 32 3.158 -8.741 -24.017 1.00 25.00 C ATOM 489 SD MET A 32 3.047 -10.527 -23.818 1.00 25.00 S ATOM 490 CE MET A 32 1.988 -10.954 -25.235 1.00 25.00 C ATOM 0 H MET A 32 2.120 -7.500 -26.413 1.00 25.00 H new ATOM 0 HA MET A 32 0.457 -6.545 -24.153 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.968 -7.685 -22.584 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.065 -8.815 -23.572 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.380 -8.500 -25.057 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.982 -8.355 -23.417 1.00 25.00 H new ATOM 0 HE1 MET A 32 1.837 -12.033 -25.265 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.024 -10.456 -25.132 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.467 -10.629 -26.158 1.00 25.00 H new ATOM 500 N THR A 33 2.221 -4.872 -23.526 1.00 25.00 N ATOM 501 CA THR A 33 3.120 -3.735 -23.360 1.00 25.00 C ATOM 502 C THR A 33 4.257 -4.151 -22.446 1.00 25.00 C ATOM 503 O THR A 33 4.015 -4.652 -21.355 1.00 25.00 O ATOM 504 CB THR A 33 2.385 -2.530 -22.735 1.00 25.00 C ATOM 505 OG1 THR A 33 1.227 -2.234 -23.516 1.00 25.00 O ATOM 506 CG2 THR A 33 3.274 -1.288 -22.708 1.00 25.00 C ATOM 0 H THR A 33 1.444 -4.895 -22.866 1.00 25.00 H new ATOM 0 HA THR A 33 3.495 -3.436 -24.339 1.00 25.00 H new ATOM 0 HB THR A 33 2.115 -2.792 -21.712 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.754 -1.470 -23.124 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.726 -0.458 -22.262 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.167 -1.493 -22.117 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.564 -1.026 -23.725 1.00 25.00 H new ATOM 514 N VAL A 34 5.484 -3.914 -22.884 1.00 25.00 N ATOM 515 CA VAL A 34 6.675 -4.168 -22.082 1.00 25.00 C ATOM 516 C VAL A 34 6.948 -2.899 -21.288 1.00 25.00 C ATOM 517 O VAL A 34 7.046 -1.799 -21.847 1.00 25.00 O ATOM 518 CB VAL A 34 7.911 -4.503 -22.975 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.184 -4.636 -22.125 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.672 -5.806 -23.756 1.00 25.00 C ATOM 0 H VAL A 34 5.685 -3.538 -23.811 1.00 25.00 H new ATOM 0 HA VAL A 34 6.508 -5.027 -21.432 1.00 25.00 H new ATOM 0 HB VAL A 34 8.046 -3.682 -23.679 1.00 25.00 H new ATOM 0 HG11 VAL A 34 10.030 -4.870 -22.771 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.373 -3.697 -21.604 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.053 -5.436 -21.396 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.543 -6.025 -24.374 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.508 -6.625 -23.056 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.795 -5.693 -24.393 1.00 25.00 H new ATOM 530 N LEU A 35 7.030 -3.051 -19.979 1.00 25.00 N ATOM 531 CA LEU A 35 7.270 -1.931 -19.082 1.00 25.00 C ATOM 532 C LEU A 35 8.758 -1.815 -18.769 1.00 25.00 C ATOM 533 O LEU A 35 9.311 -0.718 -18.797 1.00 25.00 O ATOM 534 CB LEU A 35 6.491 -2.133 -17.779 1.00 25.00 C ATOM 535 CG LEU A 35 4.962 -2.154 -17.916 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.342 -2.553 -16.586 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.411 -0.787 -18.350 1.00 25.00 C ATOM 0 H LEU A 35 6.933 -3.950 -19.507 1.00 25.00 H new ATOM 0 HA LEU A 35 6.935 -1.015 -19.569 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.810 -3.073 -17.328 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.765 -1.337 -17.086 1.00 25.00 H new ATOM 0 HG LEU A 35 4.702 -2.879 -18.687 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.256 -2.569 -16.681 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.696 -3.544 -16.302 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.629 -1.833 -15.820 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.326 -0.843 -18.436 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.678 -0.035 -17.608 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.838 -0.512 -19.315 1.00 25.00 H new ATOM 549 N GLU A 36 9.391 -2.940 -18.469 1.00 25.00 N ATOM 550 CA GLU A 36 10.798 -2.962 -18.056 1.00 25.00 C ATOM 551 C GLU A 36 11.444 -4.281 -18.507 1.00 25.00 C ATOM 552 O GLU A 36 10.732 -5.217 -18.862 1.00 25.00 O ATOM 553 CB GLU A 36 10.871 -2.801 -16.525 1.00 25.00 C ATOM 554 CG GLU A 36 12.278 -2.533 -15.970 1.00 25.00 C ATOM 555 CD GLU A 36 13.012 -1.444 -16.750 1.00 25.00 C ATOM 556 OE1 GLU A 36 12.877 -0.259 -16.394 1.00 25.00 O ATOM 557 OE2 GLU A 36 13.674 -1.779 -17.772 1.00 25.00 O ATOM 0 H GLU A 36 8.953 -3.860 -18.503 1.00 25.00 H new ATOM 0 HA GLU A 36 11.344 -2.141 -18.521 1.00 25.00 H new ATOM 0 HB2 GLU A 36 10.217 -1.981 -16.229 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.479 -3.705 -16.060 1.00 25.00 H new ATOM 0 HG2 GLU A 36 12.203 -2.239 -14.923 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.860 -3.454 -16.001 1.00 25.00 H new ATOM 564 N ARG A 37 12.773 -4.364 -18.506 1.00 25.00 N ATOM 565 CA ARG A 37 13.493 -5.588 -18.888 1.00 25.00 C ATOM 566 C ARG A 37 14.524 -5.926 -17.814 1.00 25.00 C ATOM 567 O ARG A 37 14.980 -5.037 -17.124 1.00 25.00 O ATOM 568 CB ARG A 37 14.205 -5.379 -20.219 1.00 25.00 C ATOM 569 CG ARG A 37 13.266 -4.961 -21.351 1.00 25.00 C ATOM 570 CD ARG A 37 13.991 -4.970 -22.681 1.00 25.00 C ATOM 571 NE ARG A 37 15.148 -4.059 -22.661 1.00 25.00 N ATOM 572 CZ ARG A 37 16.096 -4.004 -23.587 1.00 25.00 C ATOM 573 NH1 ARG A 37 16.084 -4.776 -24.648 1.00 25.00 N ATOM 574 NH2 ARG A 37 17.075 -3.157 -23.440 1.00 25.00 N ATOM 0 H ARG A 37 13.384 -3.591 -18.242 1.00 25.00 H new ATOM 0 HA ARG A 37 12.779 -6.406 -18.986 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.975 -4.617 -20.095 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.712 -6.302 -20.500 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.413 -5.639 -21.392 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.872 -3.964 -21.153 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.325 -5.982 -22.910 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.305 -4.674 -23.475 1.00 25.00 H new ATOM 0 HE ARG A 37 15.227 -3.418 -21.871 1.00 25.00 H new ATOM 0 HH11 ARG A 37 15.328 -5.447 -24.782 1.00 25.00 H new ATOM 0 HH12 ARG A 37 16.831 -4.705 -25.339 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.105 -2.549 -22.622 1.00 25.00 H new ATOM 0 HH22 ARG A 37 17.812 -3.102 -24.143 1.00 25.00 H new ATOM 588 N ASP A 38 14.847 -7.213 -17.690 1.00 25.00 N ATOM 589 CA ASP A 38 15.755 -7.729 -16.643 1.00 25.00 C ATOM 590 C ASP A 38 15.179 -7.310 -15.291 1.00 25.00 C ATOM 591 O ASP A 38 15.859 -6.880 -14.369 1.00 25.00 O ATOM 592 CB ASP A 38 17.197 -7.248 -16.839 1.00 25.00 C ATOM 593 CG ASP A 38 18.194 -8.112 -16.086 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.758 -9.000 -15.327 1.00 25.00 O ATOM 595 OD2 ASP A 38 19.410 -7.942 -16.299 1.00 25.00 O ATOM 0 H ASP A 38 14.489 -7.938 -18.312 1.00 25.00 H new ATOM 0 HA ASP A 38 15.813 -8.816 -16.700 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.440 -7.256 -17.901 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.284 -6.216 -16.500 1.00 25.00 H new ATOM 600 N THR A 39 13.860 -7.397 -15.232 1.00 25.00 N ATOM 601 CA THR A 39 13.061 -6.854 -14.136 1.00 25.00 C ATOM 602 C THR A 39 13.211 -7.612 -12.816 1.00 25.00 C ATOM 603 O THR A 39 12.780 -7.139 -11.769 1.00 25.00 O ATOM 604 CB THR A 39 11.568 -6.874 -14.568 1.00 25.00 C ATOM 605 OG1 THR A 39 10.726 -6.427 -13.500 1.00 25.00 O ATOM 606 CG2 THR A 39 11.131 -8.290 -14.998 1.00 25.00 C ATOM 0 H THR A 39 13.302 -7.853 -15.954 1.00 25.00 H new ATOM 0 HA THR A 39 13.423 -5.844 -13.946 1.00 25.00 H new ATOM 0 HB THR A 39 11.466 -6.199 -15.417 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.207 -6.504 -12.650 1.00 25.00 H new ATOM 0 HG21 THR A 39 10.082 -8.273 -15.295 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.741 -8.619 -15.839 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.261 -8.980 -14.164 1.00 25.00 H new ATOM 614 N GLN A 40 13.810 -8.792 -12.868 1.00 25.00 N ATOM 615 CA GLN A 40 13.951 -9.641 -11.686 1.00 25.00 C ATOM 616 C GLN A 40 15.390 -10.121 -11.511 1.00 25.00 C ATOM 617 O GLN A 40 15.658 -11.021 -10.722 1.00 25.00 O ATOM 618 CB GLN A 40 13.016 -10.855 -11.821 1.00 25.00 C ATOM 619 CG GLN A 40 11.992 -10.992 -10.691 1.00 25.00 C ATOM 620 CD GLN A 40 10.649 -10.351 -11.007 1.00 25.00 C ATOM 621 OE1 GLN A 40 10.539 -9.472 -11.845 1.00 25.00 O ATOM 622 NE2 GLN A 40 9.617 -10.811 -10.345 1.00 25.00 N ATOM 0 H GLN A 40 14.209 -9.188 -13.719 1.00 25.00 H new ATOM 0 HA GLN A 40 13.683 -9.053 -10.808 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.485 -10.786 -12.770 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.620 -11.761 -11.860 1.00 25.00 H new ATOM 0 HG2 GLN A 40 11.839 -12.050 -10.476 1.00 25.00 H new ATOM 0 HG3 GLN A 40 12.398 -10.539 -9.787 1.00 25.00 H new ATOM 0 HE21 GLN A 40 9.744 -11.547 -9.650 1.00 25.00 H new ATOM 0 HE22 GLN A 40 8.687 -10.433 -10.524 1.00 25.00 H new ATOM 631 N GLY A 41 16.307 -9.563 -12.290 1.00 25.00 N ATOM 632 CA GLY A 41 17.681 -10.052 -12.281 1.00 25.00 C ATOM 633 C GLY A 41 17.772 -11.281 -13.164 1.00 25.00 C ATOM 634 O GLY A 41 18.731 -12.050 -13.111 1.00 25.00 O ATOM 0 H GLY A 41 16.131 -8.785 -12.926 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.359 -9.278 -12.642 1.00 25.00 H new ATOM 0 HA3 GLY A 41 17.988 -10.295 -11.264 1.00 25.00 H new ATOM 638 N LEU A 42 16.737 -11.477 -13.969 1.00 25.00 N ATOM 639 CA LEU A 42 16.676 -12.578 -14.916 1.00 25.00 C ATOM 640 C LEU A 42 16.902 -11.992 -16.301 1.00 25.00 C ATOM 641 O LEU A 42 16.035 -11.294 -16.846 1.00 25.00 O ATOM 642 CB LEU A 42 15.296 -13.255 -14.876 1.00 25.00 C ATOM 643 CG LEU A 42 14.889 -13.990 -13.592 1.00 25.00 C ATOM 644 CD1 LEU A 42 13.409 -14.383 -13.705 1.00 25.00 C ATOM 645 CD2 LEU A 42 15.751 -15.232 -13.370 1.00 25.00 C ATOM 0 H LEU A 42 15.914 -10.874 -13.983 1.00 25.00 H new ATOM 0 HA LEU A 42 17.429 -13.326 -14.668 1.00 25.00 H new ATOM 0 HB2 LEU A 42 14.544 -12.492 -15.076 1.00 25.00 H new ATOM 0 HB3 LEU A 42 15.251 -13.970 -15.698 1.00 25.00 H new ATOM 0 HG LEU A 42 15.039 -13.331 -12.737 1.00 25.00 H new ATOM 0 HD11 LEU A 42 13.102 -14.907 -12.800 1.00 25.00 H new ATOM 0 HD12 LEU A 42 12.803 -13.486 -13.828 1.00 25.00 H new ATOM 0 HD13 LEU A 42 13.271 -15.036 -14.567 1.00 25.00 H new ATOM 0 HD21 LEU A 42 15.439 -15.732 -12.453 1.00 25.00 H new ATOM 0 HD22 LEU A 42 15.632 -15.913 -14.213 1.00 25.00 H new ATOM 0 HD23 LEU A 42 16.797 -14.938 -13.286 1.00 25.00 H new ATOM 657 N ASP A 43 18.039 -12.316 -16.892 1.00 25.00 N ATOM 658 CA ASP A 43 18.357 -11.832 -18.226 1.00 25.00 C ATOM 659 C ASP A 43 17.345 -12.402 -19.209 1.00 25.00 C ATOM 660 O ASP A 43 16.896 -13.547 -19.083 1.00 25.00 O ATOM 661 CB ASP A 43 19.772 -12.235 -18.640 1.00 25.00 C ATOM 662 CG ASP A 43 20.197 -11.605 -19.971 1.00 25.00 C ATOM 663 OD1 ASP A 43 21.114 -12.150 -20.620 1.00 25.00 O ATOM 664 OD2 ASP A 43 19.597 -10.581 -20.379 1.00 25.00 O ATOM 0 H ASP A 43 18.755 -12.909 -16.473 1.00 25.00 H new ATOM 0 HA ASP A 43 18.310 -10.743 -18.226 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.474 -11.937 -17.861 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.828 -13.321 -18.722 1.00 25.00 H new ATOM 669 N GLY A 44 16.958 -11.584 -20.169 1.00 25.00 N ATOM 670 CA GLY A 44 16.004 -11.997 -21.183 1.00 25.00 C ATOM 671 C GLY A 44 14.548 -11.913 -20.761 1.00 25.00 C ATOM 672 O GLY A 44 13.672 -11.963 -21.617 1.00 25.00 O ATOM 0 H GLY A 44 17.291 -10.625 -20.269 1.00 25.00 H new ATOM 0 HA2 GLY A 44 16.147 -11.379 -22.069 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.225 -13.024 -21.472 1.00 25.00 H new ATOM 676 N TRP A 45 14.264 -11.775 -19.477 1.00 25.00 N ATOM 677 CA TRP A 45 12.877 -11.701 -19.011 1.00 25.00 C ATOM 678 C TRP A 45 12.438 -10.255 -18.896 1.00 25.00 C ATOM 679 O TRP A 45 13.195 -9.403 -18.432 1.00 25.00 O ATOM 680 CB TRP A 45 12.728 -12.402 -17.667 1.00 25.00 C ATOM 681 CG TRP A 45 12.795 -13.892 -17.789 1.00 25.00 C ATOM 682 CD1 TRP A 45 13.900 -14.654 -18.005 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.699 -14.828 -17.712 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.596 -15.980 -18.067 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.247 -16.132 -17.894 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.311 -14.695 -17.504 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.448 -17.297 -17.875 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.505 -15.866 -17.471 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.088 -17.155 -17.661 1.00 25.00 C ATOM 0 H TRP A 45 14.965 -11.712 -18.738 1.00 25.00 H new ATOM 0 HA TRP A 45 12.241 -12.205 -19.739 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.513 -12.060 -16.993 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.776 -12.120 -17.217 1.00 25.00 H new ATOM 0 HD1 TRP A 45 14.898 -14.256 -18.114 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.264 -16.736 -18.218 1.00 25.00 H new ATOM 0 HE3 TRP A 45 9.867 -13.719 -17.372 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 11.887 -18.273 -18.024 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.442 -15.779 -17.301 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.459 -18.032 -17.637 1.00 25.00 H new ATOM 700 N TRP A 46 11.231 -9.966 -19.358 1.00 25.00 N ATOM 701 CA TRP A 46 10.727 -8.600 -19.391 1.00 25.00 C ATOM 702 C TRP A 46 9.442 -8.521 -18.584 1.00 25.00 C ATOM 703 O TRP A 46 8.662 -9.467 -18.569 1.00 25.00 O ATOM 704 CB TRP A 46 10.437 -8.191 -20.842 1.00 25.00 C ATOM 705 CG TRP A 46 11.623 -8.317 -21.797 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.935 -8.513 -21.484 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.587 -8.271 -23.237 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.713 -8.601 -22.593 1.00 25.00 N ATOM 709 CE2 TRP A 46 12.924 -8.459 -23.699 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.558 -8.108 -24.183 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.251 -8.489 -25.070 1.00 25.00 C ATOM 712 CZ3 TRP A 46 10.879 -8.141 -25.567 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.225 -8.327 -25.993 1.00 25.00 C ATOM 0 H TRP A 46 10.579 -10.663 -19.717 1.00 25.00 H new ATOM 0 HA TRP A 46 11.473 -7.928 -18.967 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.619 -8.804 -21.220 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.091 -7.157 -20.850 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.311 -8.589 -20.474 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.722 -8.749 -22.599 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.538 -7.960 -23.861 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.271 -8.634 -25.394 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.096 -8.024 -26.302 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.452 -8.342 -27.049 1.00 25.00 H new ATOM 724 N LEU A 47 9.211 -7.393 -17.930 1.00 25.00 N ATOM 725 CA LEU A 47 7.966 -7.171 -17.198 1.00 25.00 C ATOM 726 C LEU A 47 6.963 -6.657 -18.204 1.00 25.00 C ATOM 727 O LEU A 47 7.155 -5.587 -18.784 1.00 25.00 O ATOM 728 CB LEU A 47 8.149 -6.121 -16.095 1.00 25.00 C ATOM 729 CG LEU A 47 6.913 -5.829 -15.229 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.517 -7.055 -14.402 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.214 -4.653 -14.303 1.00 25.00 C ATOM 0 H LEU A 47 9.868 -6.614 -17.889 1.00 25.00 H new ATOM 0 HA LEU A 47 7.640 -8.096 -16.723 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.957 -6.448 -15.441 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.471 -5.189 -16.559 1.00 25.00 H new ATOM 0 HG LEU A 47 6.078 -5.581 -15.885 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.640 -6.819 -13.799 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.286 -7.885 -15.070 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.343 -7.335 -13.747 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.340 -4.442 -13.687 1.00 25.00 H new ATOM 0 HD22 LEU A 47 8.059 -4.902 -13.661 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.458 -3.774 -14.899 1.00 25.00 H new ATOM 743 N CYS A 48 5.911 -7.415 -18.438 1.00 25.00 N ATOM 744 CA CYS A 48 4.891 -7.019 -19.388 1.00 25.00 C ATOM 745 C CYS A 48 3.567 -6.841 -18.668 1.00 25.00 C ATOM 746 O CYS A 48 3.402 -7.309 -17.545 1.00 25.00 O ATOM 747 CB CYS A 48 4.762 -8.080 -20.477 1.00 25.00 C ATOM 748 SG CYS A 48 6.320 -8.374 -21.331 1.00 25.00 S ATOM 0 H CYS A 48 5.740 -8.311 -17.982 1.00 25.00 H new ATOM 0 HA CYS A 48 5.172 -6.073 -19.851 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.412 -9.012 -20.034 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.008 -7.767 -21.199 1.00 25.00 H new ATOM 0 HG CYS A 48 6.095 -8.530 -22.602 1.00 25.00 H new ATOM 754 N SER A 49 2.623 -6.187 -19.328 1.00 25.00 N ATOM 755 CA SER A 49 1.278 -6.002 -18.791 1.00 25.00 C ATOM 756 C SER A 49 0.262 -6.519 -19.809 1.00 25.00 C ATOM 757 O SER A 49 0.326 -6.162 -20.996 1.00 25.00 O ATOM 758 CB SER A 49 1.028 -4.526 -18.484 1.00 25.00 C ATOM 759 OG SER A 49 -0.273 -4.327 -17.953 1.00 25.00 O ATOM 0 H SER A 49 2.764 -5.770 -20.248 1.00 25.00 H new ATOM 0 HA SER A 49 1.174 -6.561 -17.861 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.773 -4.168 -17.773 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.147 -3.937 -19.394 1.00 25.00 H new ATOM 0 HG SER A 49 -0.407 -3.375 -17.764 1.00 25.00 H new ATOM 765 N LEU A 50 -0.626 -7.390 -19.346 1.00 25.00 N ATOM 766 CA LEU A 50 -1.640 -8.036 -20.180 1.00 25.00 C ATOM 767 C LEU A 50 -2.726 -8.564 -19.237 1.00 25.00 C ATOM 768 O LEU A 50 -2.437 -8.866 -18.092 1.00 25.00 O ATOM 769 CB LEU A 50 -1.010 -9.207 -20.954 1.00 25.00 C ATOM 770 CG LEU A 50 -1.898 -9.987 -21.933 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.407 -9.099 -23.065 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.119 -11.155 -22.506 1.00 25.00 C ATOM 0 H LEU A 50 -0.665 -7.674 -18.367 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.056 -7.333 -20.902 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.159 -8.818 -21.513 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.616 -9.915 -20.225 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.765 -10.352 -21.383 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -3.032 -9.688 -23.737 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.993 -8.280 -22.649 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.560 -8.694 -23.619 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.751 -11.708 -23.201 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.240 -10.783 -23.032 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -0.805 -11.815 -21.697 1.00 25.00 H new ATOM 784 N HIS A 51 -3.962 -8.674 -19.718 1.00 25.00 N ATOM 785 CA HIS A 51 -5.077 -9.223 -18.924 1.00 25.00 C ATOM 786 C HIS A 51 -5.319 -8.421 -17.634 1.00 25.00 C ATOM 787 O HIS A 51 -5.778 -8.945 -16.630 1.00 25.00 O ATOM 788 CB HIS A 51 -4.815 -10.712 -18.611 1.00 25.00 C ATOM 789 CG HIS A 51 -6.057 -11.506 -18.350 1.00 25.00 C ATOM 790 ND1 HIS A 51 -6.808 -12.112 -19.323 1.00 25.00 N ATOM 791 CD2 HIS A 51 -6.694 -11.799 -17.180 1.00 25.00 C ATOM 792 CE1 HIS A 51 -7.826 -12.736 -18.737 1.00 25.00 C ATOM 793 NE2 HIS A 51 -7.805 -12.577 -17.432 1.00 25.00 N ATOM 0 H HIS A 51 -4.226 -8.390 -20.661 1.00 25.00 H new ATOM 0 HA HIS A 51 -5.986 -9.139 -19.519 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.279 -11.160 -19.448 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.162 -10.781 -17.741 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -6.376 -11.471 -16.202 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -8.577 -13.303 -19.267 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -8.468 -12.949 -16.752 1.00 25.00 H new ATOM 801 N GLY A 52 -4.983 -7.137 -17.668 1.00 25.00 N ATOM 802 CA GLY A 52 -5.202 -6.273 -16.518 1.00 25.00 C ATOM 803 C GLY A 52 -4.173 -6.408 -15.407 1.00 25.00 C ATOM 804 O GLY A 52 -4.297 -5.742 -14.383 1.00 25.00 O ATOM 0 H GLY A 52 -4.561 -6.675 -18.474 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -5.214 -5.237 -16.858 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.189 -6.485 -16.106 1.00 25.00 H new ATOM 808 N ARG A 53 -3.164 -7.249 -15.595 1.00 25.00 N ATOM 809 CA ARG A 53 -2.128 -7.444 -14.579 1.00 25.00 C ATOM 810 C ARG A 53 -0.754 -7.412 -15.206 1.00 25.00 C ATOM 811 O ARG A 53 -0.609 -7.529 -16.418 1.00 25.00 O ATOM 812 CB ARG A 53 -2.338 -8.769 -13.823 1.00 25.00 C ATOM 813 CG ARG A 53 -2.022 -10.042 -14.614 1.00 25.00 C ATOM 814 CD ARG A 53 -2.231 -11.256 -13.711 1.00 25.00 C ATOM 815 NE ARG A 53 -1.869 -12.536 -14.348 1.00 25.00 N ATOM 816 CZ ARG A 53 -0.686 -13.144 -14.255 1.00 25.00 C ATOM 817 NH1 ARG A 53 0.335 -12.622 -13.628 1.00 25.00 N ATOM 818 NH2 ARG A 53 -0.538 -14.315 -14.806 1.00 25.00 N ATOM 0 H ARG A 53 -3.038 -7.808 -16.439 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.204 -6.626 -13.863 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.718 -8.757 -12.927 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -3.375 -8.817 -13.492 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -2.666 -10.110 -15.490 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -0.994 -10.015 -14.976 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -1.638 -11.130 -12.805 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.276 -11.295 -13.405 1.00 25.00 H new ATOM 0 HE ARG A 53 -2.586 -12.996 -14.909 1.00 25.00 H new ATOM 0 HH11 ARG A 53 0.247 -11.709 -13.182 1.00 25.00 H new ATOM 0 HH12 ARG A 53 1.220 -13.128 -13.585 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -1.319 -14.750 -15.297 1.00 25.00 H new ATOM 0 HH22 ARG A 53 0.359 -14.797 -14.746 1.00 25.00 H new ATOM 832 N GLN A 54 0.255 -7.253 -14.378 1.00 25.00 N ATOM 833 CA GLN A 54 1.628 -7.279 -14.845 1.00 25.00 C ATOM 834 C GLN A 54 2.181 -8.652 -14.494 1.00 25.00 C ATOM 835 O GLN A 54 1.642 -9.330 -13.618 1.00 25.00 O ATOM 836 CB GLN A 54 2.443 -6.170 -14.179 1.00 25.00 C ATOM 837 CG GLN A 54 1.882 -4.770 -14.438 1.00 25.00 C ATOM 838 CD GLN A 54 2.599 -3.701 -13.640 1.00 25.00 C ATOM 839 OE1 GLN A 54 3.790 -3.778 -13.410 1.00 25.00 O ATOM 840 NE2 GLN A 54 1.872 -2.711 -13.205 1.00 25.00 N ATOM 0 H GLN A 54 0.152 -7.104 -13.374 1.00 25.00 H new ATOM 0 HA GLN A 54 1.682 -7.106 -15.920 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.476 -6.348 -13.104 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.470 -6.215 -14.541 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.962 -4.541 -15.501 1.00 25.00 H new ATOM 0 HG3 GLN A 54 0.821 -4.755 -14.188 1.00 25.00 H new ATOM 0 HE21 GLN A 54 0.875 -2.679 -13.417 1.00 25.00 H new ATOM 0 HE22 GLN A 54 2.300 -1.968 -12.652 1.00 25.00 H new ATOM 849 N GLY A 55 3.234 -9.063 -15.176 1.00 25.00 N ATOM 850 CA GLY A 55 3.861 -10.341 -14.895 1.00 25.00 C ATOM 851 C GLY A 55 5.116 -10.490 -15.722 1.00 25.00 C ATOM 852 O GLY A 55 5.309 -9.750 -16.698 1.00 25.00 O ATOM 0 H GLY A 55 3.673 -8.531 -15.928 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.103 -10.412 -13.835 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.169 -11.153 -15.119 1.00 25.00 H new ATOM 856 N ILE A 56 5.983 -11.413 -15.342 1.00 25.00 N ATOM 857 CA ILE A 56 7.231 -11.617 -16.069 1.00 25.00 C ATOM 858 C ILE A 56 6.975 -12.490 -17.291 1.00 25.00 C ATOM 859 O ILE A 56 6.100 -13.361 -17.290 1.00 25.00 O ATOM 860 CB ILE A 56 8.353 -12.225 -15.163 1.00 25.00 C ATOM 861 CG1 ILE A 56 7.989 -13.649 -14.684 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.608 -11.287 -13.954 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.114 -14.375 -13.934 1.00 25.00 C ATOM 0 H ILE A 56 5.850 -12.030 -14.541 1.00 25.00 H new ATOM 0 HA ILE A 56 7.595 -10.643 -16.395 1.00 25.00 H new ATOM 0 HB ILE A 56 9.265 -12.308 -15.754 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.116 -13.588 -14.034 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.701 -14.247 -15.549 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.389 -11.711 -13.323 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.923 -10.307 -14.314 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.691 -11.183 -13.375 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.772 -15.366 -13.635 1.00 25.00 H new ATOM 0 HD12 ILE A 56 9.982 -14.472 -14.586 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.388 -13.803 -13.048 1.00 25.00 H new ATOM 875 N VAL A 57 7.713 -12.208 -18.354 1.00 25.00 N ATOM 876 CA VAL A 57 7.556 -12.896 -19.632 1.00 25.00 C ATOM 877 C VAL A 57 8.940 -13.161 -20.222 1.00 25.00 C ATOM 878 O VAL A 57 9.776 -12.250 -20.257 1.00 25.00 O ATOM 879 CB VAL A 57 6.774 -11.984 -20.630 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.867 -12.506 -22.061 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.308 -11.855 -20.203 1.00 25.00 C ATOM 0 H VAL A 57 8.441 -11.493 -18.357 1.00 25.00 H new ATOM 0 HA VAL A 57 7.014 -13.828 -19.474 1.00 25.00 H new ATOM 0 HB VAL A 57 7.237 -10.997 -20.607 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.311 -11.845 -22.726 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.912 -12.536 -22.370 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.445 -13.510 -22.110 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.778 -11.216 -20.910 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.845 -12.842 -20.188 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.256 -11.415 -19.207 1.00 25.00 H new ATOM 891 N PRO A 58 9.201 -14.380 -20.739 1.00 25.00 N ATOM 892 CA PRO A 58 10.480 -14.549 -21.439 1.00 25.00 C ATOM 893 C PRO A 58 10.486 -13.758 -22.760 1.00 25.00 C ATOM 894 O PRO A 58 9.776 -14.091 -23.714 1.00 25.00 O ATOM 895 CB PRO A 58 10.549 -16.062 -21.663 1.00 25.00 C ATOM 896 CG PRO A 58 9.122 -16.492 -21.738 1.00 25.00 C ATOM 897 CD PRO A 58 8.390 -15.614 -20.775 1.00 25.00 C ATOM 0 HA PRO A 58 11.341 -14.173 -20.887 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.085 -16.304 -22.581 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.072 -16.561 -20.847 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.730 -16.378 -22.749 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.014 -17.543 -21.471 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.372 -15.414 -21.110 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.317 -16.074 -19.790 1.00 25.00 H new ATOM 905 N GLY A 59 11.264 -12.687 -22.796 1.00 25.00 N ATOM 906 CA GLY A 59 11.262 -11.755 -23.916 1.00 25.00 C ATOM 907 C GLY A 59 11.648 -12.346 -25.251 1.00 25.00 C ATOM 908 O GLY A 59 11.243 -11.848 -26.289 1.00 25.00 O ATOM 0 H GLY A 59 11.915 -12.438 -22.051 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.266 -11.321 -24.004 1.00 25.00 H new ATOM 0 HA3 GLY A 59 11.946 -10.938 -23.688 1.00 25.00 H new ATOM 912 N ASN A 60 12.396 -13.437 -25.245 1.00 25.00 N ATOM 913 CA ASN A 60 12.771 -14.109 -26.493 1.00 25.00 C ATOM 914 C ASN A 60 11.542 -14.714 -27.199 1.00 25.00 C ATOM 915 O ASN A 60 11.588 -15.020 -28.390 1.00 25.00 O ATOM 916 CB ASN A 60 13.808 -15.202 -26.219 1.00 25.00 C ATOM 917 CG ASN A 60 14.835 -15.319 -27.328 1.00 25.00 C ATOM 918 OD1 ASN A 60 16.012 -15.150 -27.099 1.00 25.00 O ATOM 919 ND2 ASN A 60 14.391 -15.594 -28.523 1.00 25.00 N ATOM 0 H ASN A 60 12.757 -13.879 -24.400 1.00 25.00 H new ATOM 0 HA ASN A 60 13.206 -13.360 -27.154 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.316 -14.989 -25.279 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.300 -16.158 -26.097 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.043 -15.673 -29.304 1.00 25.00 H new ATOM 0 HD22 ASN A 60 13.392 -15.730 -28.677 1.00 25.00 H new ATOM 926 N ARG A 61 10.436 -14.867 -26.476 1.00 25.00 N ATOM 927 CA ARG A 61 9.202 -15.373 -27.086 1.00 25.00 C ATOM 928 C ARG A 61 8.357 -14.230 -27.639 1.00 25.00 C ATOM 929 O ARG A 61 7.241 -14.455 -28.109 1.00 25.00 O ATOM 930 CB ARG A 61 8.356 -16.164 -26.074 1.00 25.00 C ATOM 931 CG ARG A 61 9.030 -17.410 -25.506 1.00 25.00 C ATOM 932 CD ARG A 61 7.983 -18.348 -24.877 1.00 25.00 C ATOM 933 NE ARG A 61 8.614 -19.416 -24.085 1.00 25.00 N ATOM 934 CZ ARG A 61 8.007 -20.521 -23.655 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.763 -20.809 -23.938 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.685 -21.364 -22.929 1.00 25.00 N ATOM 0 H ARG A 61 10.364 -14.653 -25.481 1.00 25.00 H new ATOM 0 HA ARG A 61 9.502 -16.035 -27.898 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.092 -15.503 -25.248 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.424 -16.460 -26.555 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.567 -17.933 -26.297 1.00 25.00 H new ATOM 0 HG3 ARG A 61 9.767 -17.123 -24.756 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.313 -17.770 -24.240 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.372 -18.791 -25.664 1.00 25.00 H new ATOM 0 HE ARG A 61 9.599 -19.300 -23.845 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.211 -20.173 -24.513 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.345 -21.669 -23.583 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.660 -21.171 -22.701 1.00 25.00 H new ATOM 0 HH22 ARG A 61 8.241 -22.217 -22.589 1.00 25.00 H new ATOM 950 N LEU A 62 8.873 -13.012 -27.565 1.00 25.00 N ATOM 951 CA LEU A 62 8.157 -11.824 -28.025 1.00 25.00 C ATOM 952 C LEU A 62 8.925 -11.147 -29.151 1.00 25.00 C ATOM 953 O LEU A 62 10.138 -11.268 -29.244 1.00 25.00 O ATOM 954 CB LEU A 62 8.015 -10.809 -26.879 1.00 25.00 C ATOM 955 CG LEU A 62 7.316 -11.232 -25.578 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.300 -10.029 -24.624 1.00 25.00 C ATOM 957 CD2 LEU A 62 5.896 -11.713 -25.838 1.00 25.00 C ATOM 0 H LEU A 62 9.799 -12.816 -27.185 1.00 25.00 H new ATOM 0 HA LEU A 62 7.175 -12.142 -28.374 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.017 -10.470 -26.616 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.479 -9.945 -27.272 1.00 25.00 H new ATOM 0 HG LEU A 62 7.863 -12.064 -25.134 1.00 25.00 H new ATOM 0 HD11 LEU A 62 6.807 -10.309 -23.693 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.323 -9.718 -24.413 1.00 25.00 H new ATOM 0 HD13 LEU A 62 6.758 -9.204 -25.087 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.432 -12.004 -24.896 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.318 -10.910 -26.294 1.00 25.00 H new ATOM 0 HD23 LEU A 62 5.920 -12.570 -26.511 1.00 25.00 H new ATOM 969 N LYS A 63 8.222 -10.366 -29.958 1.00 25.00 N ATOM 970 CA LYS A 63 8.859 -9.523 -30.970 1.00 25.00 C ATOM 971 C LYS A 63 8.357 -8.102 -30.794 1.00 25.00 C ATOM 972 O LYS A 63 7.162 -7.846 -30.941 1.00 25.00 O ATOM 973 CB LYS A 63 8.551 -10.020 -32.383 1.00 25.00 C ATOM 974 CG LYS A 63 9.280 -9.231 -33.467 1.00 25.00 C ATOM 975 CD LYS A 63 8.965 -9.760 -34.858 1.00 25.00 C ATOM 976 CE LYS A 63 9.654 -8.916 -35.937 1.00 25.00 C ATOM 977 NZ LYS A 63 11.152 -9.014 -35.849 1.00 25.00 N ATOM 0 H LYS A 63 7.205 -10.296 -29.934 1.00 25.00 H new ATOM 0 HA LYS A 63 9.940 -9.562 -30.840 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.827 -11.072 -32.460 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.477 -9.958 -32.557 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.997 -8.180 -33.405 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.355 -9.282 -33.293 1.00 25.00 H new ATOM 0 HD2 LYS A 63 9.291 -10.797 -34.939 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.887 -9.752 -35.018 1.00 25.00 H new ATOM 0 HE2 LYS A 63 9.325 -9.246 -36.922 1.00 25.00 H new ATOM 0 HE3 LYS A 63 9.351 -7.874 -35.833 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 11.579 -8.558 -36.680 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 11.481 -8.537 -34.985 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 11.433 -10.015 -35.821 1.00 25.00 H new ATOM 991 N ILE A 64 9.268 -7.196 -30.490 1.00 25.00 N ATOM 992 CA ILE A 64 8.950 -5.774 -30.331 1.00 25.00 C ATOM 993 C ILE A 64 8.355 -5.267 -31.645 1.00 25.00 C ATOM 994 O ILE A 64 8.838 -5.619 -32.729 1.00 25.00 O ATOM 995 CB ILE A 64 10.252 -4.965 -29.995 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.837 -5.404 -28.628 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.988 -3.437 -29.998 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.024 -4.967 -27.375 1.00 25.00 C ATOM 0 H ILE A 64 10.253 -7.418 -30.345 1.00 25.00 H new ATOM 0 HA ILE A 64 8.239 -5.641 -29.516 1.00 25.00 H new ATOM 0 HB ILE A 64 10.981 -5.184 -30.775 1.00 25.00 H new ATOM 0 HG12 ILE A 64 10.923 -6.491 -28.622 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.847 -5.004 -28.541 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.911 -2.908 -29.761 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.636 -3.130 -30.983 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.231 -3.197 -29.252 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.522 -5.326 -26.475 1.00 25.00 H new ATOM 0 HD12 ILE A 64 9.959 -3.879 -27.344 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.020 -5.389 -27.427 1.00 25.00 H new