USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 622 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 18 TYR OH : rot -30:sc= -1.53! USER MOD Set 1.2: A 75 THR OG1 : rot 124:sc= 0.234 USER MOD Single : A 11 ASN : amide:sc= -0.0287 K(o=-0.029,f=-0.95) USER MOD Single : A 23 THR OG1 : rot -151:sc= -1.43 USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= 1.22 (180deg=0.931) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.13! C(o=-1.1!,f=-4.3!) USER MOD Single : A 67 SER OG : rot 29:sc= 0.102 USER MOD Single : A 70 HIS : no HD1:sc= 1.05 K(o=1.1,f=-4.2!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= 1.24 (180deg=0.422) USER MOD Single : A 78 THR OG1 : rot -23:sc= 0.507 USER MOD Single : A 79 TYR OH : rot 105:sc= 1.91 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc=-0.00952 X(o=-0.0095,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -111:sc= -1.3 USER MOD Single : A 92 HIS :FLIP no HE2:sc= 0.157 F(o=-0.6,f=0.16) USER MOD Single : A 94 THR OG1 : rot -150:sc= 0 USER MOD Single : A 96 TYR OH : rot 40:sc= -0.664 USER MOD Single : A 97 CYS SG : rot -41:sc= -0.136 USER MOD Single : A 103 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -172:sc=-0.00645 (180deg=-0.101) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -12.600 9.017 1.458 1.00 0.00 N ATOM 131 CA ASN A 11 -11.896 8.590 2.662 1.00 0.00 C ATOM 132 C ASN A 11 -12.860 8.476 3.845 1.00 0.00 C ATOM 133 O ASN A 11 -12.448 8.569 5.011 1.00 0.00 O ATOM 134 CB ASN A 11 -10.775 9.577 2.987 1.00 0.00 C ATOM 135 CG ASN A 11 -9.675 9.571 1.937 1.00 0.00 C ATOM 136 OD1 ASN A 11 -9.344 8.530 1.376 1.00 0.00 O ATOM 137 ND2 ASN A 11 -9.122 10.733 1.649 1.00 0.00 N ATOM 0 HA ASN A 11 -11.464 7.606 2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.191 10.581 3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.347 9.330 3.959 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.392 10.788 0.938 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.424 11.576 2.137 1.00 0.00 H new ATOM 144 N ALA A 12 -14.143 8.300 3.546 1.00 0.00 N ATOM 145 CA ALA A 12 -15.159 8.186 4.582 1.00 0.00 C ATOM 146 C ALA A 12 -15.690 6.764 4.682 1.00 0.00 C ATOM 147 O ALA A 12 -15.824 6.062 3.676 1.00 0.00 O ATOM 148 CB ALA A 12 -16.306 9.151 4.313 1.00 0.00 C ATOM 0 H ALA A 12 -14.502 8.233 2.594 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.692 8.443 5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.056 9.052 5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.927 10.173 4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.757 8.920 3.348 1.00 0.00 H new ATOM 154 N VAL A 13 -15.996 6.350 5.898 1.00 0.00 N ATOM 155 CA VAL A 13 -16.548 5.029 6.146 1.00 0.00 C ATOM 156 C VAL A 13 -17.829 5.146 6.942 1.00 0.00 C ATOM 157 O VAL A 13 -18.083 6.172 7.583 1.00 0.00 O ATOM 158 CB VAL A 13 -15.562 4.108 6.912 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.320 3.815 6.080 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.179 4.724 8.252 1.00 0.00 C ATOM 0 H VAL A 13 -15.870 6.915 6.738 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.741 4.579 5.172 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.069 3.161 7.101 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.649 3.167 6.644 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.611 3.318 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.810 4.750 5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.487 4.062 8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.701 5.689 8.085 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.074 4.862 8.858 1.00 0.00 H new ATOM 170 N VAL A 14 -18.632 4.110 6.906 1.00 0.00 N ATOM 171 CA VAL A 14 -19.886 4.099 7.618 1.00 0.00 C ATOM 172 C VAL A 14 -19.827 3.089 8.754 1.00 0.00 C ATOM 173 O VAL A 14 -19.539 1.906 8.533 1.00 0.00 O ATOM 174 CB VAL A 14 -21.059 3.735 6.667 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.394 3.763 7.400 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.083 4.664 5.462 1.00 0.00 C ATOM 0 H VAL A 14 -18.436 3.255 6.385 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.058 5.097 8.021 1.00 0.00 H new ATOM 0 HB VAL A 14 -20.897 2.717 6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.195 3.504 6.707 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.375 3.043 8.218 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.569 4.762 7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -21.912 4.392 4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.209 5.693 5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.145 4.574 4.914 1.00 0.00 H new ATOM 186 N VAL A 15 -20.094 3.553 9.963 1.00 0.00 N ATOM 187 CA VAL A 15 -20.099 2.694 11.130 1.00 0.00 C ATOM 188 C VAL A 15 -21.500 2.691 11.723 1.00 0.00 C ATOM 189 O VAL A 15 -22.086 3.753 11.934 1.00 0.00 O ATOM 190 CB VAL A 15 -19.085 3.183 12.201 1.00 0.00 C ATOM 191 CG1 VAL A 15 -19.013 2.214 13.373 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.706 3.386 11.589 1.00 0.00 C ATOM 0 H VAL A 15 -20.312 4.530 10.160 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.805 1.689 10.826 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.438 4.143 12.578 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.296 2.582 14.106 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.996 2.131 13.837 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.696 1.234 13.016 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.013 3.728 12.358 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.350 2.443 11.174 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.766 4.132 10.797 1.00 0.00 H new ATOM 202 N PHE A 16 -22.041 1.517 11.976 1.00 0.00 N ATOM 203 CA PHE A 16 -23.402 1.417 12.471 1.00 0.00 C ATOM 204 C PHE A 16 -23.565 0.301 13.494 1.00 0.00 C ATOM 205 O PHE A 16 -22.793 -0.667 13.508 1.00 0.00 O ATOM 206 CB PHE A 16 -24.381 1.226 11.300 1.00 0.00 C ATOM 207 CG PHE A 16 -24.118 0.003 10.452 1.00 0.00 C ATOM 208 CD1 PHE A 16 -24.689 -1.221 10.771 1.00 0.00 C ATOM 209 CD2 PHE A 16 -23.303 0.081 9.331 1.00 0.00 C ATOM 210 CE1 PHE A 16 -24.451 -2.335 9.993 1.00 0.00 C ATOM 211 CE2 PHE A 16 -23.061 -1.030 8.551 1.00 0.00 C ATOM 212 CZ PHE A 16 -23.634 -2.239 8.879 1.00 0.00 C ATOM 0 H PHE A 16 -21.565 0.624 11.849 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.632 2.352 12.982 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.394 1.165 11.697 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.341 2.109 10.663 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -25.327 -1.302 11.638 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -22.852 1.026 9.066 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.902 -3.282 10.253 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -22.423 -0.952 7.683 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.446 -3.110 8.269 1.00 0.00 H new ATOM 222 N GLY A 17 -24.568 0.448 14.351 1.00 0.00 N ATOM 223 CA GLY A 17 -24.848 -0.560 15.347 1.00 0.00 C ATOM 224 C GLY A 17 -24.693 -0.053 16.765 1.00 0.00 C ATOM 225 O GLY A 17 -24.547 -0.845 17.697 1.00 0.00 O ATOM 0 H GLY A 17 -25.194 1.253 14.371 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.865 -0.927 15.208 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -24.180 -1.408 15.195 1.00 0.00 H new ATOM 229 N TYR A 18 -24.740 1.261 16.947 1.00 0.00 N ATOM 230 CA TYR A 18 -24.561 1.840 18.267 1.00 0.00 C ATOM 231 C TYR A 18 -25.455 3.059 18.483 1.00 0.00 C ATOM 232 O TYR A 18 -26.011 3.615 17.535 1.00 0.00 O ATOM 233 CB TYR A 18 -23.093 2.172 18.514 1.00 0.00 C ATOM 234 CG TYR A 18 -22.491 3.169 17.558 1.00 0.00 C ATOM 235 CD1 TYR A 18 -22.022 2.777 16.314 1.00 0.00 C ATOM 236 CD2 TYR A 18 -22.377 4.503 17.908 1.00 0.00 C ATOM 237 CE1 TYR A 18 -21.460 3.688 15.453 1.00 0.00 C ATOM 238 CE2 TYR A 18 -21.815 5.414 17.051 1.00 0.00 C ATOM 239 CZ TYR A 18 -21.358 5.006 15.828 1.00 0.00 C ATOM 240 OH TYR A 18 -20.789 5.917 14.980 1.00 0.00 O ATOM 0 H TYR A 18 -24.899 1.939 16.202 1.00 0.00 H new ATOM 0 HA TYR A 18 -24.868 1.093 18.999 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -22.990 2.557 19.528 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -22.515 1.249 18.463 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -22.099 1.741 16.018 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -22.737 4.832 18.872 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -21.100 3.370 14.486 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -21.733 6.451 17.341 1.00 0.00 H new ATOM 0 HH TYR A 18 -20.115 5.471 14.426 1.00 0.00 H new ATOM 250 N ARG A 19 -25.583 3.453 19.740 1.00 0.00 N ATOM 251 CA ARG A 19 -26.473 4.526 20.145 1.00 0.00 C ATOM 252 C ARG A 19 -25.694 5.801 20.529 1.00 0.00 C ATOM 253 O ARG A 19 -24.569 5.726 20.992 1.00 0.00 O ATOM 254 CB ARG A 19 -27.354 4.009 21.292 1.00 0.00 C ATOM 255 CG ARG A 19 -28.320 5.011 21.885 1.00 0.00 C ATOM 256 CD ARG A 19 -29.315 4.313 22.809 1.00 0.00 C ATOM 257 NE ARG A 19 -28.654 3.463 23.806 1.00 0.00 N ATOM 258 CZ ARG A 19 -29.306 2.644 24.647 1.00 0.00 C ATOM 259 NH1 ARG A 19 -30.632 2.567 24.610 1.00 0.00 N ATOM 260 NH2 ARG A 19 -28.629 1.897 25.509 1.00 0.00 N ATOM 0 H ARG A 19 -25.067 3.033 20.513 1.00 0.00 H new ATOM 0 HA ARG A 19 -27.108 4.817 19.309 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -27.924 3.154 20.929 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -26.704 3.645 22.088 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -27.770 5.770 22.441 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -28.855 5.525 21.087 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -29.920 5.063 23.319 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -29.996 3.706 22.212 1.00 0.00 H new ATOM 0 HE ARG A 19 -27.636 3.496 23.864 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -31.157 3.131 23.942 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -31.125 1.944 25.250 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -27.610 1.944 25.534 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -29.127 1.276 26.147 1.00 0.00 H new ATOM 274 N GLU A 20 -26.333 6.959 20.342 1.00 0.00 N ATOM 275 CA GLU A 20 -25.714 8.288 20.559 1.00 0.00 C ATOM 276 C GLU A 20 -25.098 8.448 21.976 1.00 0.00 C ATOM 277 O GLU A 20 -24.103 9.137 22.150 1.00 0.00 O ATOM 278 CB GLU A 20 -26.783 9.380 20.344 1.00 0.00 C ATOM 279 CG GLU A 20 -26.249 10.810 20.264 1.00 0.00 C ATOM 280 CD GLU A 20 -25.645 11.144 18.907 1.00 0.00 C ATOM 281 OE1 GLU A 20 -26.363 11.014 17.882 1.00 0.00 O ATOM 282 OE2 GLU A 20 -24.473 11.568 18.858 1.00 0.00 O ATOM 0 H GLU A 20 -27.304 7.011 20.033 1.00 0.00 H new ATOM 0 HA GLU A 20 -24.898 8.386 19.843 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -27.324 9.160 19.424 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -27.505 9.324 21.159 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -27.060 11.507 20.476 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -25.494 10.954 21.037 1.00 0.00 H new ATOM 289 N ALA A 21 -25.693 7.812 22.970 1.00 0.00 N ATOM 290 CA ALA A 21 -25.247 7.976 24.366 1.00 0.00 C ATOM 291 C ALA A 21 -23.946 7.222 24.713 1.00 0.00 C ATOM 292 O ALA A 21 -23.347 7.476 25.761 1.00 0.00 O ATOM 293 CB ALA A 21 -26.351 7.562 25.322 1.00 0.00 C ATOM 0 H ALA A 21 -26.483 7.178 22.850 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.020 9.036 24.478 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.009 7.688 26.349 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.230 8.184 25.154 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.608 6.517 25.151 1.00 0.00 H new ATOM 299 N ILE A 22 -23.487 6.327 23.841 1.00 0.00 N ATOM 300 CA ILE A 22 -22.308 5.498 24.173 1.00 0.00 C ATOM 301 C ILE A 22 -20.977 6.177 23.826 1.00 0.00 C ATOM 302 O ILE A 22 -19.951 5.499 23.654 1.00 0.00 O ATOM 303 CB ILE A 22 -22.341 4.115 23.491 1.00 0.00 C ATOM 304 CG1 ILE A 22 -22.283 4.253 21.967 1.00 0.00 C ATOM 305 CG2 ILE A 22 -23.580 3.345 23.915 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.558 3.128 21.302 1.00 0.00 C ATOM 0 H ILE A 22 -23.893 6.152 22.922 1.00 0.00 H new ATOM 0 HA ILE A 22 -22.367 5.369 25.254 1.00 0.00 H new ATOM 0 HB ILE A 22 -21.461 3.557 23.810 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -23.298 4.305 21.574 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -21.794 5.193 21.712 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -23.589 2.371 23.425 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -23.570 3.207 24.996 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -24.471 3.903 23.628 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.552 3.286 20.223 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -20.532 3.089 21.668 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -22.060 2.187 21.528 1.00 0.00 H new ATOM 318 N THR A 23 -20.979 7.494 23.760 1.00 0.00 N ATOM 319 CA THR A 23 -19.778 8.246 23.412 1.00 0.00 C ATOM 320 C THR A 23 -18.647 7.971 24.390 1.00 0.00 C ATOM 321 O THR A 23 -17.518 7.746 23.990 1.00 0.00 O ATOM 322 CB THR A 23 -20.051 9.749 23.403 1.00 0.00 C ATOM 323 OG1 THR A 23 -21.238 9.999 22.670 1.00 0.00 O ATOM 324 CG2 THR A 23 -18.894 10.492 22.763 1.00 0.00 C ATOM 0 H THR A 23 -21.799 8.072 23.943 1.00 0.00 H new ATOM 0 HA THR A 23 -19.484 7.919 22.415 1.00 0.00 H new ATOM 0 HB THR A 23 -20.165 10.098 24.429 1.00 0.00 H new ATOM 0 HG1 THR A 23 -21.191 10.891 22.266 1.00 0.00 H new ATOM 0 HG21 THR A 23 -19.103 11.562 22.764 1.00 0.00 H new ATOM 0 HG22 THR A 23 -17.982 10.300 23.328 1.00 0.00 H new ATOM 0 HG23 THR A 23 -18.764 10.149 21.737 1.00 0.00 H new ATOM 332 N LYS A 24 -18.967 7.958 25.666 1.00 0.00 N ATOM 333 CA LYS A 24 -17.969 7.746 26.702 1.00 0.00 C ATOM 334 C LYS A 24 -17.305 6.367 26.565 1.00 0.00 C ATOM 335 O LYS A 24 -16.202 6.146 27.058 1.00 0.00 O ATOM 336 CB LYS A 24 -18.589 7.905 28.102 1.00 0.00 C ATOM 337 CG LYS A 24 -18.901 9.352 28.505 1.00 0.00 C ATOM 338 CD LYS A 24 -20.064 9.957 27.716 1.00 0.00 C ATOM 339 CE LYS A 24 -21.395 9.315 28.077 1.00 0.00 C ATOM 340 NZ LYS A 24 -22.550 10.032 27.466 1.00 0.00 N ATOM 0 H LYS A 24 -19.916 8.092 26.016 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.198 8.506 26.576 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -19.510 7.324 28.145 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -17.908 7.477 28.837 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -19.136 9.384 29.569 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -18.011 9.964 28.356 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -20.114 11.028 27.910 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.880 9.834 26.649 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -21.397 8.277 27.745 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -21.509 9.304 29.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -23.302 9.350 27.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -22.913 10.739 28.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -22.241 10.508 26.594 1.00 0.00 H new ATOM 354 N GLN A 25 -17.990 5.451 25.892 1.00 0.00 N ATOM 355 CA GLN A 25 -17.494 4.097 25.718 1.00 0.00 C ATOM 356 C GLN A 25 -16.703 3.932 24.407 1.00 0.00 C ATOM 357 O GLN A 25 -15.489 3.716 24.427 1.00 0.00 O ATOM 358 CB GLN A 25 -18.661 3.116 25.762 1.00 0.00 C ATOM 359 CG GLN A 25 -19.390 3.113 27.090 1.00 0.00 C ATOM 360 CD GLN A 25 -20.592 2.199 27.101 1.00 0.00 C ATOM 361 OE1 GLN A 25 -20.599 1.141 26.463 1.00 0.00 O ATOM 362 NE2 GLN A 25 -21.625 2.604 27.808 1.00 0.00 N ATOM 0 H GLN A 25 -18.896 5.626 25.456 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.804 3.885 26.535 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.366 3.365 24.969 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.291 2.112 25.556 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.700 2.806 27.876 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.710 4.128 27.325 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.578 3.485 28.321 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.472 2.037 27.843 1.00 0.00 H new ATOM 371 N ILE A 26 -17.397 4.036 23.271 1.00 0.00 N ATOM 372 CA ILE A 26 -16.766 3.839 21.960 1.00 0.00 C ATOM 373 C ILE A 26 -15.702 4.887 21.647 1.00 0.00 C ATOM 374 O ILE A 26 -14.621 4.542 21.183 1.00 0.00 O ATOM 375 CB ILE A 26 -17.813 3.741 20.800 1.00 0.00 C ATOM 376 CG1 ILE A 26 -18.429 2.341 20.753 1.00 0.00 C ATOM 377 CG2 ILE A 26 -17.208 4.105 19.448 1.00 0.00 C ATOM 378 CD1 ILE A 26 -17.447 1.246 20.383 1.00 0.00 C ATOM 0 H ILE A 26 -18.392 4.255 23.230 1.00 0.00 H new ATOM 0 HA ILE A 26 -16.257 2.877 22.027 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.598 4.468 21.009 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -18.861 2.113 21.727 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -19.247 2.339 20.033 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -17.971 4.023 18.674 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -16.833 5.128 19.481 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.387 3.425 19.222 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.961 0.285 20.372 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -17.032 1.448 19.395 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -16.641 1.217 21.116 1.00 0.00 H new ATOM 390 N LEU A 27 -15.994 6.153 21.928 1.00 0.00 N ATOM 391 CA LEU A 27 -15.056 7.238 21.622 1.00 0.00 C ATOM 392 C LEU A 27 -13.720 7.056 22.352 1.00 0.00 C ATOM 393 O LEU A 27 -12.688 7.469 21.855 1.00 0.00 O ATOM 394 CB LEU A 27 -15.698 8.615 21.918 1.00 0.00 C ATOM 395 CG LEU A 27 -14.823 9.861 21.688 1.00 0.00 C ATOM 396 CD1 LEU A 27 -15.677 11.017 21.199 1.00 0.00 C ATOM 397 CD2 LEU A 27 -14.126 10.260 22.982 1.00 0.00 C ATOM 0 H LEU A 27 -16.865 6.456 22.364 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.833 7.200 20.556 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.592 8.711 21.302 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.026 8.619 22.958 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.073 9.622 20.934 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.048 11.893 21.040 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.160 10.742 20.261 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.438 11.248 21.944 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.510 11.142 22.807 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.873 10.484 23.743 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.495 9.439 23.323 1.00 0.00 H new ATOM 409 N ALA A 28 -13.746 6.425 23.521 1.00 0.00 N ATOM 410 CA ALA A 28 -12.521 6.187 24.281 1.00 0.00 C ATOM 411 C ALA A 28 -11.534 5.298 23.500 1.00 0.00 C ATOM 412 O ALA A 28 -10.327 5.562 23.477 1.00 0.00 O ATOM 413 CB ALA A 28 -12.855 5.551 25.621 1.00 0.00 C ATOM 0 H ALA A 28 -14.595 6.071 23.962 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.038 7.150 24.449 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.936 5.377 26.180 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.505 6.218 26.188 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.364 4.602 25.456 1.00 0.00 H new ATOM 419 N TYR A 29 -12.054 4.252 22.866 1.00 0.00 N ATOM 420 CA TYR A 29 -11.221 3.321 22.090 1.00 0.00 C ATOM 421 C TYR A 29 -11.074 3.773 20.627 1.00 0.00 C ATOM 422 O TYR A 29 -9.979 3.767 20.073 1.00 0.00 O ATOM 423 CB TYR A 29 -11.817 1.902 22.159 1.00 0.00 C ATOM 424 CG TYR A 29 -11.188 0.907 21.199 1.00 0.00 C ATOM 425 CD1 TYR A 29 -9.982 0.280 21.490 1.00 0.00 C ATOM 426 CD2 TYR A 29 -11.807 0.603 19.998 1.00 0.00 C ATOM 427 CE1 TYR A 29 -9.416 -0.621 20.608 1.00 0.00 C ATOM 428 CE2 TYR A 29 -11.252 -0.293 19.110 1.00 0.00 C ATOM 429 CZ TYR A 29 -10.056 -0.903 19.420 1.00 0.00 C ATOM 430 OH TYR A 29 -9.498 -1.803 18.539 1.00 0.00 O ATOM 0 H TYR A 29 -13.048 4.022 22.870 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.224 3.314 22.530 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.708 1.525 23.176 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.886 1.960 21.953 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.479 0.500 22.420 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.745 1.078 19.752 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.479 -1.101 20.848 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.751 -0.515 18.178 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.981 -2.470 19.037 1.00 0.00 H new ATOM 440 N PHE A 30 -12.191 4.182 20.037 1.00 0.00 N ATOM 441 CA PHE A 30 -12.279 4.595 18.627 1.00 0.00 C ATOM 442 C PHE A 30 -11.742 5.997 18.369 1.00 0.00 C ATOM 443 O PHE A 30 -11.807 6.485 17.245 1.00 0.00 O ATOM 444 CB PHE A 30 -13.701 4.442 18.090 1.00 0.00 C ATOM 445 CG PHE A 30 -13.993 3.065 17.571 1.00 0.00 C ATOM 446 CD1 PHE A 30 -14.428 2.055 18.409 1.00 0.00 C ATOM 447 CD2 PHE A 30 -13.816 2.785 16.231 1.00 0.00 C ATOM 448 CE1 PHE A 30 -14.681 0.790 17.909 1.00 0.00 C ATOM 449 CE2 PHE A 30 -14.065 1.533 15.723 1.00 0.00 C ATOM 450 CZ PHE A 30 -14.497 0.530 16.564 1.00 0.00 C ATOM 0 H PHE A 30 -13.083 4.240 20.529 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.627 3.916 18.077 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.409 4.682 18.883 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.860 5.166 17.291 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -14.571 2.255 19.461 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -13.475 3.566 15.568 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -15.022 0.006 18.569 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -13.923 1.336 14.671 1.00 0.00 H new ATOM 0 HZ PHE A 30 -14.691 -0.458 16.173 1.00 0.00 H new ATOM 460 N ALA A 31 -11.291 6.657 19.431 1.00 0.00 N ATOM 461 CA ALA A 31 -10.750 8.042 19.399 1.00 0.00 C ATOM 462 C ALA A 31 -9.812 8.359 18.201 1.00 0.00 C ATOM 463 O ALA A 31 -9.506 9.526 17.969 1.00 0.00 O ATOM 464 CB ALA A 31 -10.032 8.344 20.701 1.00 0.00 C ATOM 0 H ALA A 31 -11.285 6.249 20.366 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.619 8.686 19.266 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.638 9.360 20.672 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.731 8.250 21.532 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.211 7.640 20.836 1.00 0.00 H new ATOM 470 N GLN A 32 -9.352 7.344 17.462 1.00 0.00 N ATOM 471 CA GLN A 32 -8.520 7.590 16.282 1.00 0.00 C ATOM 472 C GLN A 32 -9.319 8.407 15.277 1.00 0.00 C ATOM 473 O GLN A 32 -8.796 9.316 14.636 1.00 0.00 O ATOM 474 CB GLN A 32 -8.060 6.274 15.622 1.00 0.00 C ATOM 475 CG GLN A 32 -7.240 5.361 16.519 1.00 0.00 C ATOM 476 CD GLN A 32 -8.087 4.645 17.543 1.00 0.00 C ATOM 477 OE1 GLN A 32 -9.250 4.338 17.295 1.00 0.00 O ATOM 478 NE2 GLN A 32 -7.518 4.380 18.700 1.00 0.00 N ATOM 0 H GLN A 32 -9.538 6.360 17.656 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.629 8.133 16.599 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.940 5.729 15.280 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.471 6.515 14.737 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.719 4.626 15.905 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.477 5.948 17.030 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.549 4.652 18.866 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.046 3.903 19.431 1.00 0.00 H new ATOM 487 N PHE A 33 -10.602 8.067 15.169 1.00 0.00 N ATOM 488 CA PHE A 33 -11.542 8.766 14.298 1.00 0.00 C ATOM 489 C PHE A 33 -11.744 10.186 14.789 1.00 0.00 C ATOM 490 O PHE A 33 -11.896 11.130 14.004 1.00 0.00 O ATOM 491 CB PHE A 33 -12.899 8.051 14.315 1.00 0.00 C ATOM 492 CG PHE A 33 -12.918 6.691 13.666 1.00 0.00 C ATOM 493 CD1 PHE A 33 -12.447 5.577 14.340 1.00 0.00 C ATOM 494 CD2 PHE A 33 -13.424 6.530 12.390 1.00 0.00 C ATOM 495 CE1 PHE A 33 -12.479 4.330 13.749 1.00 0.00 C ATOM 496 CE2 PHE A 33 -13.459 5.288 11.795 1.00 0.00 C ATOM 497 CZ PHE A 33 -12.984 4.185 12.478 1.00 0.00 C ATOM 0 H PHE A 33 -11.020 7.294 15.687 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.136 8.775 13.286 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -13.223 7.946 15.350 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.631 8.685 13.815 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.050 5.685 15.339 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -13.797 7.389 11.852 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.108 3.469 14.284 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.857 5.177 10.797 1.00 0.00 H new ATOM 0 HZ PHE A 33 -13.009 3.210 12.014 1.00 0.00 H new ATOM 507 N GLY A 34 -11.754 10.321 16.093 1.00 0.00 N ATOM 508 CA GLY A 34 -12.016 11.584 16.708 1.00 0.00 C ATOM 509 C GLY A 34 -13.356 11.591 17.403 1.00 0.00 C ATOM 510 O GLY A 34 -13.591 10.795 18.318 1.00 0.00 O ATOM 0 H GLY A 34 -11.581 9.559 16.748 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.230 11.810 17.428 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.992 12.370 15.953 1.00 0.00 H new ATOM 514 N GLU A 35 -14.247 12.456 16.959 1.00 0.00 N ATOM 515 CA GLU A 35 -15.553 12.578 17.585 1.00 0.00 C ATOM 516 C GLU A 35 -16.560 11.638 16.925 1.00 0.00 C ATOM 517 O GLU A 35 -17.099 11.936 15.862 1.00 0.00 O ATOM 518 CB GLU A 35 -16.047 14.026 17.514 1.00 0.00 C ATOM 519 CG GLU A 35 -14.990 15.050 17.908 1.00 0.00 C ATOM 520 CD GLU A 35 -14.328 14.739 19.236 1.00 0.00 C ATOM 521 OE1 GLU A 35 -15.001 14.825 20.284 1.00 0.00 O ATOM 522 OE2 GLU A 35 -13.129 14.408 19.236 1.00 0.00 O ATOM 0 H GLU A 35 -14.093 13.084 16.170 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.457 12.294 18.633 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -16.385 14.237 16.499 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -16.912 14.139 18.168 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.228 15.094 17.130 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.450 16.037 17.960 1.00 0.00 H new ATOM 529 N ILE A 36 -16.777 10.489 17.548 1.00 0.00 N ATOM 530 CA ILE A 36 -17.716 9.484 17.039 1.00 0.00 C ATOM 531 C ILE A 36 -19.164 9.971 17.110 1.00 0.00 C ATOM 532 O ILE A 36 -19.938 9.801 16.167 1.00 0.00 O ATOM 533 CB ILE A 36 -17.610 8.164 17.846 1.00 0.00 C ATOM 534 CG1 ILE A 36 -16.170 7.660 17.872 1.00 0.00 C ATOM 535 CG2 ILE A 36 -18.530 7.099 17.259 1.00 0.00 C ATOM 536 CD1 ILE A 36 -15.610 7.358 16.503 1.00 0.00 C ATOM 0 H ILE A 36 -16.313 10.222 18.416 1.00 0.00 H new ATOM 0 HA ILE A 36 -17.445 9.310 15.998 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.923 8.369 18.870 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.541 8.407 18.356 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.121 6.758 18.483 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.441 6.181 17.840 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.561 7.450 17.292 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.247 6.903 16.225 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -14.583 7.005 16.600 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.215 6.588 16.024 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.627 8.263 15.895 1.00 0.00 H new ATOM 548 N LEU A 37 -19.512 10.566 18.227 1.00 0.00 N ATOM 549 CA LEU A 37 -20.872 10.983 18.489 1.00 0.00 C ATOM 550 C LEU A 37 -20.914 12.443 18.904 1.00 0.00 C ATOM 551 O LEU A 37 -19.891 13.011 19.299 1.00 0.00 O ATOM 552 CB LEU A 37 -21.459 10.106 19.576 1.00 0.00 C ATOM 553 CG LEU A 37 -21.652 8.639 19.192 1.00 0.00 C ATOM 554 CD1 LEU A 37 -21.909 7.809 20.408 1.00 0.00 C ATOM 555 CD2 LEU A 37 -22.798 8.485 18.216 1.00 0.00 C ATOM 0 H LEU A 37 -18.859 10.776 18.982 1.00 0.00 H new ATOM 0 HA LEU A 37 -21.462 10.877 17.579 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.810 10.154 20.450 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.424 10.518 19.872 1.00 0.00 H new ATOM 0 HG LEU A 37 -20.736 8.294 18.713 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -22.044 6.768 20.116 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -21.061 7.888 21.088 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -22.810 8.165 20.908 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -22.917 7.433 17.957 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -23.717 8.852 18.673 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -22.587 9.059 17.314 1.00 0.00 H new ATOM 567 N GLU A 38 -22.087 13.056 18.811 1.00 0.00 N ATOM 568 CA GLU A 38 -22.234 14.462 19.161 1.00 0.00 C ATOM 569 C GLU A 38 -22.383 14.613 20.676 1.00 0.00 C ATOM 570 O GLU A 38 -22.166 15.696 21.246 1.00 0.00 O ATOM 571 CB GLU A 38 -23.416 15.091 18.415 1.00 0.00 C ATOM 572 CG GLU A 38 -23.541 16.596 18.620 1.00 0.00 C ATOM 573 CD GLU A 38 -22.265 17.341 18.258 1.00 0.00 C ATOM 574 OE1 GLU A 38 -21.330 17.357 19.092 1.00 0.00 O ATOM 575 OE2 GLU A 38 -22.198 17.929 17.164 1.00 0.00 O ATOM 0 H GLU A 38 -22.946 12.604 18.498 1.00 0.00 H new ATOM 0 HA GLU A 38 -21.335 14.996 18.853 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -23.312 14.886 17.350 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -24.338 14.611 18.743 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -24.364 16.975 18.014 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -23.793 16.798 19.661 1.00 0.00 H new ATOM 582 N ASP A 39 -22.753 13.528 21.320 1.00 0.00 N ATOM 583 CA ASP A 39 -22.825 13.490 22.768 1.00 0.00 C ATOM 584 C ASP A 39 -21.409 13.551 23.327 1.00 0.00 C ATOM 585 O ASP A 39 -20.487 13.020 22.723 1.00 0.00 O ATOM 586 CB ASP A 39 -23.542 12.210 23.219 1.00 0.00 C ATOM 587 CG ASP A 39 -23.427 11.944 24.705 1.00 0.00 C ATOM 588 OD1 ASP A 39 -24.149 12.599 25.490 1.00 0.00 O ATOM 589 OD2 ASP A 39 -22.622 11.065 25.095 1.00 0.00 O ATOM 0 H ASP A 39 -23.011 12.654 20.862 1.00 0.00 H new ATOM 0 HA ASP A 39 -23.393 14.342 23.143 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -24.596 12.280 22.951 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -23.130 11.361 22.673 1.00 0.00 H new ATOM 594 N LEU A 40 -21.222 14.227 24.442 1.00 0.00 N ATOM 595 CA LEU A 40 -19.890 14.360 24.996 1.00 0.00 C ATOM 596 C LEU A 40 -19.879 13.986 26.475 1.00 0.00 C ATOM 597 O LEU A 40 -19.542 12.858 26.824 1.00 0.00 O ATOM 598 CB LEU A 40 -19.362 15.799 24.772 1.00 0.00 C ATOM 599 CG LEU A 40 -17.828 15.985 24.727 1.00 0.00 C ATOM 600 CD1 LEU A 40 -17.487 17.414 24.337 1.00 0.00 C ATOM 601 CD2 LEU A 40 -17.178 15.641 26.060 1.00 0.00 C ATOM 0 H LEU A 40 -21.961 14.686 24.975 1.00 0.00 H new ATOM 0 HA LEU A 40 -19.223 13.669 24.480 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -19.776 16.169 23.834 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -19.757 16.432 25.567 1.00 0.00 H new ATOM 0 HG LEU A 40 -17.434 15.298 23.978 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.404 17.535 24.308 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -17.903 17.632 23.353 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -17.909 18.102 25.070 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.100 15.785 25.987 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.579 16.290 26.838 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.389 14.601 26.310 1.00 0.00 H new ATOM 1035 N SER A 67 -19.297 17.865 12.160 1.00 0.00 N ATOM 1036 CA SER A 67 -19.772 18.377 10.889 1.00 0.00 C ATOM 1037 C SER A 67 -20.124 17.250 9.933 1.00 0.00 C ATOM 1038 O SER A 67 -20.422 17.474 8.759 1.00 0.00 O ATOM 1039 CB SER A 67 -18.709 19.258 10.278 1.00 0.00 C ATOM 1040 OG SER A 67 -18.398 20.342 11.137 1.00 0.00 O ATOM 0 HA SER A 67 -20.678 18.956 11.067 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.811 18.671 10.086 1.00 0.00 H new ATOM 0 HB3 SER A 67 -19.054 19.638 9.316 1.00 0.00 H new ATOM 0 HG SER A 67 -18.548 20.075 12.068 1.00 0.00 H new ATOM 1046 N ARG A 68 -20.056 16.049 10.429 1.00 0.00 N ATOM 1047 CA ARG A 68 -20.346 14.884 9.632 1.00 0.00 C ATOM 1048 C ARG A 68 -21.768 14.407 9.926 1.00 0.00 C ATOM 1049 O ARG A 68 -22.215 14.440 11.074 1.00 0.00 O ATOM 1050 CB ARG A 68 -19.340 13.763 9.920 1.00 0.00 C ATOM 1051 CG ARG A 68 -17.875 14.218 9.946 1.00 0.00 C ATOM 1052 CD ARG A 68 -17.472 14.976 8.683 1.00 0.00 C ATOM 1053 NE ARG A 68 -17.616 14.179 7.463 1.00 0.00 N ATOM 1054 CZ ARG A 68 -18.220 14.615 6.353 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -18.784 15.819 6.325 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -18.248 13.845 5.271 1.00 0.00 N ATOM 0 H ARG A 68 -19.799 15.845 11.395 1.00 0.00 H new ATOM 0 HA ARG A 68 -20.263 15.149 8.578 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.584 13.310 10.881 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.453 12.986 9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -17.712 14.855 10.815 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -17.230 13.347 10.064 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -18.082 15.875 8.596 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -16.436 15.301 8.777 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.232 13.234 7.460 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -18.757 16.414 7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -19.244 16.147 5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.810 12.924 5.289 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.708 14.174 4.422 1.00 0.00 H new ATOM 1070 N GLU A 69 -22.474 13.992 8.894 1.00 0.00 N ATOM 1071 CA GLU A 69 -23.850 13.528 9.039 1.00 0.00 C ATOM 1072 C GLU A 69 -23.910 12.129 9.656 1.00 0.00 C ATOM 1073 O GLU A 69 -23.034 11.291 9.418 1.00 0.00 O ATOM 1074 CB GLU A 69 -24.558 13.537 7.682 1.00 0.00 C ATOM 1075 CG GLU A 69 -23.823 12.761 6.603 1.00 0.00 C ATOM 1076 CD GLU A 69 -24.537 12.770 5.269 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -25.127 13.810 4.902 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -24.484 11.743 4.563 1.00 0.00 O ATOM 0 H GLU A 69 -22.120 13.964 7.938 1.00 0.00 H new ATOM 0 HA GLU A 69 -24.362 14.213 9.715 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -25.557 13.118 7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -24.682 14.569 7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -22.826 13.183 6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -23.693 11.730 6.931 1.00 0.00 H new ATOM 1085 N HIS A 70 -24.939 11.896 10.458 1.00 0.00 N ATOM 1086 CA HIS A 70 -25.156 10.603 11.075 1.00 0.00 C ATOM 1087 C HIS A 70 -26.645 10.383 11.309 1.00 0.00 C ATOM 1088 O HIS A 70 -27.427 11.333 11.300 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.350 10.454 12.388 1.00 0.00 C ATOM 1090 CG HIS A 70 -24.874 11.218 13.574 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -24.626 12.554 13.788 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -25.597 10.799 14.635 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -25.177 12.923 14.938 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -25.771 11.871 15.469 1.00 0.00 N ATOM 0 H HIS A 70 -25.641 12.596 10.696 1.00 0.00 H new ATOM 0 HA HIS A 70 -24.793 9.833 10.394 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -24.312 9.397 12.650 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -23.325 10.773 12.200 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -25.971 9.799 14.797 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -25.145 13.914 15.366 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -26.277 11.858 16.355 1.00 0.00 H new ATOM 1102 N GLY A 71 -27.026 9.144 11.526 1.00 0.00 N ATOM 1103 CA GLY A 71 -28.414 8.820 11.707 1.00 0.00 C ATOM 1104 C GLY A 71 -28.720 8.272 13.081 1.00 0.00 C ATOM 1105 O GLY A 71 -28.042 8.599 14.058 1.00 0.00 O ATOM 0 H GLY A 71 -26.391 8.348 11.581 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -29.015 9.713 11.537 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -28.711 8.088 10.956 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.737 7.428 13.145 1.00 0.00 N ATOM 1110 CA ARG A 72 -30.208 6.854 14.401 1.00 0.00 C ATOM 1111 C ARG A 72 -29.157 5.995 15.074 1.00 0.00 C ATOM 1112 O ARG A 72 -28.887 6.155 16.263 1.00 0.00 O ATOM 1113 CB ARG A 72 -31.461 6.029 14.133 1.00 0.00 C ATOM 1114 CG ARG A 72 -32.224 5.583 15.363 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.465 4.818 14.955 1.00 0.00 C ATOM 1116 NE ARG A 72 -34.341 4.519 16.079 1.00 0.00 N ATOM 1117 CZ ARG A 72 -35.549 3.976 15.948 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -36.023 3.687 14.736 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -36.289 3.729 17.022 1.00 0.00 N ATOM 0 H ARG A 72 -30.262 7.119 12.327 1.00 0.00 H new ATOM 0 HA ARG A 72 -30.431 7.675 15.082 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -32.132 6.613 13.503 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -31.177 5.145 13.562 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -31.588 4.955 15.987 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -32.502 6.450 15.962 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -34.017 5.398 14.215 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -33.169 3.886 14.473 1.00 0.00 H new ATOM 0 HE ARG A 72 -34.011 4.738 17.019 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -35.460 3.882 13.908 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -36.949 3.271 14.636 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -35.932 3.955 17.950 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -37.215 3.313 16.919 1.00 0.00 H new ATOM 1133 N THR A 73 -28.566 5.094 14.325 1.00 0.00 N ATOM 1134 CA THR A 73 -27.585 4.194 14.885 1.00 0.00 C ATOM 1135 C THR A 73 -26.359 4.060 13.984 1.00 0.00 C ATOM 1136 O THR A 73 -25.520 3.172 14.186 1.00 0.00 O ATOM 1137 CB THR A 73 -28.202 2.802 15.130 1.00 0.00 C ATOM 1138 OG1 THR A 73 -28.695 2.263 13.900 1.00 0.00 O ATOM 1139 CG2 THR A 73 -29.343 2.873 16.138 1.00 0.00 C ATOM 0 H THR A 73 -28.746 4.965 13.329 1.00 0.00 H new ATOM 0 HA THR A 73 -27.264 4.620 15.835 1.00 0.00 H new ATOM 0 HB THR A 73 -27.421 2.157 15.533 1.00 0.00 H new ATOM 0 HG1 THR A 73 -29.084 1.378 14.063 1.00 0.00 H new ATOM 0 HG21 THR A 73 -29.757 1.876 16.289 1.00 0.00 H new ATOM 0 HG22 THR A 73 -28.967 3.258 17.086 1.00 0.00 H new ATOM 0 HG23 THR A 73 -30.121 3.536 15.760 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.251 4.944 12.997 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.145 4.899 12.042 1.00 0.00 C ATOM 1149 C TRP A 74 -24.484 6.261 11.911 1.00 0.00 C ATOM 1150 O TRP A 74 -25.153 7.282 11.942 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.643 4.410 10.668 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.732 5.256 10.057 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -28.068 5.185 10.324 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -26.576 6.281 9.058 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -28.752 6.109 9.568 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -27.861 6.789 8.779 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -25.475 6.816 8.376 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -28.076 7.806 7.850 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -25.692 7.827 7.456 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -26.983 8.310 7.199 1.00 0.00 C ATOM 0 H TRP A 74 -26.915 5.701 12.836 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.401 4.196 12.416 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.798 4.377 9.981 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -26.009 3.389 10.772 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.523 4.503 11.027 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -29.760 6.263 9.591 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -24.478 6.447 8.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -29.069 8.182 7.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -24.852 8.252 6.927 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -27.118 9.097 6.472 1.00 0.00 H new ATOM 1171 N THR A 75 -23.178 6.266 11.773 1.00 0.00 N ATOM 1172 CA THR A 75 -22.418 7.495 11.641 1.00 0.00 C ATOM 1173 C THR A 75 -21.412 7.393 10.490 1.00 0.00 C ATOM 1174 O THR A 75 -20.702 6.386 10.360 1.00 0.00 O ATOM 1175 CB THR A 75 -21.674 7.808 12.955 1.00 0.00 C ATOM 1176 OG1 THR A 75 -22.621 7.938 14.024 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.847 9.084 12.850 1.00 0.00 C ATOM 0 H THR A 75 -22.609 5.420 11.749 1.00 0.00 H new ATOM 0 HA THR A 75 -23.117 8.302 11.423 1.00 0.00 H new ATOM 0 HB THR A 75 -20.991 6.983 13.155 1.00 0.00 H new ATOM 0 HG1 THR A 75 -22.392 7.311 14.742 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.339 9.268 13.797 1.00 0.00 H new ATOM 0 HG22 THR A 75 -20.107 8.974 12.057 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.502 9.924 12.621 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.366 8.418 9.651 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.421 8.449 8.556 1.00 0.00 C ATOM 1187 C LYS A 76 -19.179 9.238 8.987 1.00 0.00 C ATOM 1188 O LYS A 76 -19.203 10.471 9.063 1.00 0.00 O ATOM 1189 CB LYS A 76 -21.072 9.067 7.308 1.00 0.00 C ATOM 1190 CG LYS A 76 -20.219 8.990 6.056 1.00 0.00 C ATOM 1191 CD LYS A 76 -20.965 9.540 4.852 1.00 0.00 C ATOM 1192 CE LYS A 76 -21.151 11.047 4.936 1.00 0.00 C ATOM 1193 NZ LYS A 76 -21.888 11.580 3.766 1.00 0.00 N ATOM 0 H LYS A 76 -21.973 9.235 9.712 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.119 7.434 8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -22.020 8.563 7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.303 10.112 7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.297 9.553 6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.934 7.955 5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -20.418 9.293 3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -21.940 9.058 4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -21.692 11.295 5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.176 11.530 5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.776 12.613 3.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.509 11.157 2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -22.897 11.344 3.854 1.00 0.00 H new ATOM 1207 N LEU A 77 -18.103 8.521 9.260 1.00 0.00 N ATOM 1208 CA LEU A 77 -16.881 9.123 9.787 1.00 0.00 C ATOM 1209 C LEU A 77 -15.837 9.315 8.698 1.00 0.00 C ATOM 1210 O LEU A 77 -15.513 8.390 7.957 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.328 8.261 10.924 1.00 0.00 C ATOM 1212 CG LEU A 77 -17.227 8.163 12.165 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -16.701 7.116 13.128 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.330 9.515 12.858 1.00 0.00 C ATOM 0 H LEU A 77 -18.047 7.511 9.125 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.127 10.111 10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.150 7.255 10.543 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.361 8.663 11.226 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.223 7.862 11.840 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.353 7.063 14.000 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.678 6.145 12.633 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.693 7.386 13.444 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.971 9.426 13.735 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.337 9.843 13.166 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.756 10.245 12.170 1.00 0.00 H new ATOM 1226 N THR A 78 -15.335 10.535 8.591 1.00 0.00 N ATOM 1227 CA THR A 78 -14.357 10.882 7.581 1.00 0.00 C ATOM 1228 C THR A 78 -12.989 11.220 8.204 1.00 0.00 C ATOM 1229 O THR A 78 -12.891 12.124 9.030 1.00 0.00 O ATOM 1230 CB THR A 78 -14.859 12.088 6.771 1.00 0.00 C ATOM 1231 OG1 THR A 78 -16.215 11.843 6.355 1.00 0.00 O ATOM 1232 CG2 THR A 78 -13.986 12.322 5.549 1.00 0.00 C ATOM 0 H THR A 78 -15.596 11.309 9.202 1.00 0.00 H new ATOM 0 HA THR A 78 -14.228 10.017 6.930 1.00 0.00 H new ATOM 0 HB THR A 78 -14.813 12.977 7.400 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.385 10.878 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.362 13.181 4.992 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.961 12.515 5.866 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.008 11.438 4.911 1.00 0.00 H new ATOM 1240 N TYR A 79 -11.945 10.487 7.809 1.00 0.00 N ATOM 1241 CA TYR A 79 -10.572 10.769 8.280 1.00 0.00 C ATOM 1242 C TYR A 79 -9.890 11.801 7.400 1.00 0.00 C ATOM 1243 O TYR A 79 -8.987 12.500 7.854 1.00 0.00 O ATOM 1244 CB TYR A 79 -9.711 9.517 8.263 1.00 0.00 C ATOM 1245 CG TYR A 79 -9.801 8.650 9.486 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -9.088 8.971 10.632 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -10.557 7.495 9.491 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -9.134 8.169 11.747 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -10.596 6.684 10.601 1.00 0.00 C ATOM 1250 CZ TYR A 79 -9.883 7.025 11.723 1.00 0.00 C ATOM 1251 OH TYR A 79 -9.912 6.207 12.824 1.00 0.00 O ATOM 0 H TYR A 79 -12.015 9.697 7.168 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.670 11.144 9.299 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.988 8.919 7.395 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.671 9.815 8.126 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -8.486 9.867 10.648 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.125 7.225 8.613 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -8.583 8.440 12.635 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.187 5.780 10.590 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.768 6.314 13.288 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.301 11.840 6.123 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.720 12.731 5.099 1.00 0.00 C ATOM 1263 C ALA A 80 -8.414 12.163 4.525 1.00 0.00 C ATOM 1264 O ALA A 80 -7.812 12.755 3.635 1.00 0.00 O ATOM 1265 CB ALA A 80 -9.525 14.161 5.614 1.00 0.00 C ATOM 0 H ALA A 80 -11.052 11.250 5.766 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.444 12.781 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.095 14.777 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.488 14.575 5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.853 14.150 6.472 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.989 11.010 5.027 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.781 10.348 4.523 1.00 0.00 C ATOM 1273 C ASN A 81 -7.070 8.904 4.182 1.00 0.00 C ATOM 1274 O ASN A 81 -7.760 8.211 4.925 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.634 10.419 5.528 1.00 0.00 C ATOM 1276 CG ASN A 81 -5.081 11.821 5.693 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -5.562 12.599 6.512 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -4.054 12.142 4.926 1.00 0.00 N ATOM 0 H ASN A 81 -8.459 10.510 5.782 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.475 10.879 3.622 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.981 10.055 6.495 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.833 9.753 5.206 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.630 13.067 5.002 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.685 11.465 4.258 1.00 0.00 H new ATOM 1285 N HIS A 82 -6.532 8.453 3.060 1.00 0.00 N ATOM 1286 CA HIS A 82 -6.756 7.090 2.589 1.00 0.00 C ATOM 1287 C HIS A 82 -6.101 6.073 3.522 1.00 0.00 C ATOM 1288 O HIS A 82 -6.647 4.994 3.754 1.00 0.00 O ATOM 1289 CB HIS A 82 -6.244 6.912 1.151 1.00 0.00 C ATOM 1290 CG HIS A 82 -6.685 5.618 0.509 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -7.745 5.541 -0.376 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -6.216 4.355 0.634 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -7.903 4.288 -0.764 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -6.991 3.552 -0.168 1.00 0.00 N ATOM 0 H HIS A 82 -5.933 9.013 2.453 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.831 6.911 2.592 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.593 7.747 0.544 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -5.155 6.954 1.154 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.387 4.037 1.249 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.653 3.929 -1.453 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -6.877 2.545 -0.283 1.00 0.00 H new ATOM 1302 N SER A 83 -4.926 6.412 4.047 1.00 0.00 N ATOM 1303 CA SER A 83 -4.217 5.509 4.951 1.00 0.00 C ATOM 1304 C SER A 83 -5.070 5.243 6.196 1.00 0.00 C ATOM 1305 O SER A 83 -5.218 4.101 6.634 1.00 0.00 O ATOM 1306 CB SER A 83 -2.873 6.117 5.357 1.00 0.00 C ATOM 1307 OG SER A 83 -2.120 6.507 4.211 1.00 0.00 O ATOM 0 H SER A 83 -4.449 7.295 3.865 1.00 0.00 H new ATOM 0 HA SER A 83 -4.034 4.566 4.436 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.041 6.983 5.998 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.304 5.393 5.941 1.00 0.00 H new ATOM 0 HG SER A 83 -1.266 6.894 4.497 1.00 0.00 H new ATOM 1313 N SER A 84 -5.644 6.305 6.738 1.00 0.00 N ATOM 1314 CA SER A 84 -6.505 6.210 7.899 1.00 0.00 C ATOM 1315 C SER A 84 -7.806 5.467 7.539 1.00 0.00 C ATOM 1316 O SER A 84 -8.364 4.735 8.351 1.00 0.00 O ATOM 1317 CB SER A 84 -6.812 7.609 8.417 1.00 0.00 C ATOM 1318 OG SER A 84 -5.617 8.359 8.608 1.00 0.00 O ATOM 0 H SER A 84 -5.525 7.254 6.384 1.00 0.00 H new ATOM 0 HA SER A 84 -5.997 5.645 8.681 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.461 8.127 7.711 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.356 7.540 9.359 1.00 0.00 H new ATOM 0 HG SER A 84 -5.842 9.254 8.939 1.00 0.00 H new ATOM 1324 N TYR A 85 -8.256 5.665 6.301 1.00 0.00 N ATOM 1325 CA TYR A 85 -9.480 5.046 5.773 1.00 0.00 C ATOM 1326 C TYR A 85 -9.431 3.521 5.843 1.00 0.00 C ATOM 1327 O TYR A 85 -10.369 2.883 6.316 1.00 0.00 O ATOM 1328 CB TYR A 85 -9.677 5.498 4.309 1.00 0.00 C ATOM 1329 CG TYR A 85 -10.675 4.681 3.512 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -12.032 4.972 3.520 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -10.241 3.606 2.739 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -12.927 4.213 2.778 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -11.126 2.847 2.002 1.00 0.00 C ATOM 1334 CZ TYR A 85 -12.462 3.152 2.023 1.00 0.00 C ATOM 1335 OH TYR A 85 -13.345 2.391 1.286 1.00 0.00 O ATOM 0 H TYR A 85 -7.780 6.264 5.627 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.318 5.370 6.390 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.999 6.539 4.307 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.713 5.462 3.801 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.396 5.799 4.111 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.189 3.362 2.716 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.981 4.450 2.790 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.768 2.017 1.411 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.411 1.495 1.678 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.337 2.947 5.388 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.196 1.517 5.341 1.00 0.00 C ATOM 1347 C LEU A 86 -8.161 0.913 6.750 1.00 0.00 C ATOM 1348 O LEU A 86 -8.616 -0.209 6.972 1.00 0.00 O ATOM 1349 CB LEU A 86 -6.953 1.146 4.541 1.00 0.00 C ATOM 1350 CG LEU A 86 -6.733 -0.335 4.345 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -7.915 -0.970 3.624 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -5.447 -0.593 3.588 1.00 0.00 C ATOM 0 H LEU A 86 -7.526 3.461 5.043 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.067 1.096 4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.016 1.620 3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.080 1.564 5.042 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.648 -0.794 5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.732 -2.037 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.821 -0.826 4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.039 -0.502 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.310 -1.667 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.498 -0.114 2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.606 -0.185 4.149 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.621 1.665 7.690 1.00 0.00 N ATOM 1365 CA ARG A 87 -7.513 1.218 9.074 1.00 0.00 C ATOM 1366 C ARG A 87 -8.843 1.386 9.818 1.00 0.00 C ATOM 1367 O ARG A 87 -9.010 0.909 10.939 1.00 0.00 O ATOM 1368 CB ARG A 87 -6.409 1.989 9.789 1.00 0.00 C ATOM 1369 CG ARG A 87 -5.043 1.788 9.164 1.00 0.00 C ATOM 1370 CD ARG A 87 -3.961 2.535 9.917 1.00 0.00 C ATOM 1371 NE ARG A 87 -2.657 2.367 9.281 1.00 0.00 N ATOM 1372 CZ ARG A 87 -1.498 2.301 9.934 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -1.471 2.393 11.260 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -0.366 2.125 9.258 1.00 0.00 N ATOM 0 H ARG A 87 -7.246 2.598 7.522 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.263 0.157 9.068 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.653 3.051 9.782 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.374 1.677 10.833 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.805 0.724 9.147 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.064 2.127 8.128 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.212 3.595 9.962 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.916 2.175 10.945 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.632 2.295 8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.340 2.515 11.781 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.582 2.342 11.757 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.387 2.041 8.242 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.523 2.074 9.756 1.00 0.00 H new ATOM 1388 N ALA A 88 -9.780 2.071 9.186 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.092 2.331 9.764 1.00 0.00 C ATOM 1390 C ALA A 88 -12.090 1.252 9.391 1.00 0.00 C ATOM 1391 O ALA A 88 -13.198 1.201 9.926 1.00 0.00 O ATOM 1392 CB ALA A 88 -11.602 3.676 9.317 1.00 0.00 C ATOM 0 H ALA A 88 -9.654 2.465 8.254 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.981 2.328 10.848 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.583 3.857 9.756 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -10.910 4.453 9.641 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.683 3.692 8.230 1.00 0.00 H new ATOM 1398 N LEU A 89 -11.687 0.403 8.465 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.556 -0.618 7.907 1.00 0.00 C ATOM 1400 C LEU A 89 -13.095 -1.556 8.999 1.00 0.00 C ATOM 1401 O LEU A 89 -14.273 -1.880 9.001 1.00 0.00 O ATOM 1402 CB LEU A 89 -11.782 -1.403 6.850 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.582 -2.406 6.027 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -13.688 -1.695 5.272 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -11.667 -3.120 5.058 1.00 0.00 C ATOM 0 H LEU A 89 -10.744 0.401 8.076 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.419 -0.136 7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.321 -0.691 6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.972 -1.938 7.347 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.030 -3.139 6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.254 -2.420 4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.354 -1.202 5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.253 -0.951 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.244 -3.836 4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.206 -2.393 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.890 -3.647 5.612 1.00 0.00 H new ATOM 1417 N ARG A 90 -12.213 -1.973 9.920 1.00 0.00 N ATOM 1418 CA ARG A 90 -12.594 -2.821 11.066 1.00 0.00 C ATOM 1419 C ARG A 90 -13.469 -4.015 10.632 1.00 0.00 C ATOM 1420 O ARG A 90 -13.190 -4.672 9.633 1.00 0.00 O ATOM 1421 CB ARG A 90 -13.353 -1.990 12.120 1.00 0.00 C ATOM 1422 CG ARG A 90 -12.592 -0.797 12.673 1.00 0.00 C ATOM 1423 CD ARG A 90 -11.310 -1.221 13.365 1.00 0.00 C ATOM 1424 NE ARG A 90 -11.557 -2.127 14.491 1.00 0.00 N ATOM 1425 CZ ARG A 90 -10.592 -2.628 15.276 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -9.320 -2.282 15.079 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -10.899 -3.472 16.249 1.00 0.00 N ATOM 0 H ARG A 90 -11.221 -1.735 9.895 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.672 -3.212 11.497 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.283 -1.634 11.678 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.624 -2.644 12.949 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.357 -0.108 11.862 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.224 -0.257 13.378 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.656 -1.712 12.644 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.783 -0.336 13.723 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.522 -2.392 14.689 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.078 -1.634 14.329 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.589 -2.665 15.678 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.871 -3.742 16.402 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.164 -3.852 16.845 1.00 0.00 H new ATOM 1441 N GLU A 91 -14.518 -4.285 11.431 1.00 0.00 N ATOM 1442 CA GLU A 91 -15.485 -5.351 11.176 1.00 0.00 C ATOM 1443 C GLU A 91 -14.815 -6.747 11.185 1.00 0.00 C ATOM 1444 O GLU A 91 -15.293 -7.699 10.572 1.00 0.00 O ATOM 1445 CB GLU A 91 -16.251 -5.076 9.863 1.00 0.00 C ATOM 1446 CG GLU A 91 -17.442 -5.990 9.632 1.00 0.00 C ATOM 1447 CD GLU A 91 -18.223 -5.629 8.394 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -17.744 -5.930 7.280 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -19.328 -5.062 8.526 1.00 0.00 O ATOM 0 H GLU A 91 -14.714 -3.757 12.282 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.211 -5.358 11.989 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -16.596 -4.042 9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.561 -5.178 9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.094 -7.019 9.549 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -18.102 -5.946 10.498 1.00 0.00 H new ATOM 1456 N HIS A 92 -13.721 -6.856 11.917 1.00 0.00 N ATOM 1457 CA HIS A 92 -13.029 -8.132 12.072 1.00 0.00 C ATOM 1458 C HIS A 92 -13.149 -8.616 13.503 1.00 0.00 C ATOM 1459 O HIS A 92 -12.242 -8.423 14.309 1.00 0.00 O ATOM 1460 CB HIS A 92 -11.547 -8.029 11.680 1.00 0.00 C ATOM 1461 CG HIS A 92 -11.300 -7.999 10.208 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -11.285 -6.974 9.329 1.00 0.00 N flip ATOM 1463 CD2 HIS A 92 -11.027 -9.131 9.473 1.00 0.00 C flip ATOM 1464 CE1 HIS A 92 -11.002 -7.504 8.095 1.00 0.00 C flip ATOM 1465 NE2 HIS A 92 -10.850 -8.802 8.211 1.00 0.00 N flip ATOM 0 H HIS A 92 -13.289 -6.078 12.416 1.00 0.00 H new ATOM 0 HA HIS A 92 -13.503 -8.848 11.401 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.128 -7.127 12.125 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -11.010 -8.875 12.109 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -11.453 -5.991 9.542 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -10.967 -10.133 9.870 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.918 -6.943 7.176 1.00 0.00 H new ATOM 1473 N GLY A 93 -14.284 -9.217 13.825 1.00 0.00 N ATOM 1474 CA GLY A 93 -14.513 -9.687 15.176 1.00 0.00 C ATOM 1475 C GLY A 93 -14.633 -8.536 16.157 1.00 0.00 C ATOM 1476 O GLY A 93 -14.289 -8.667 17.326 1.00 0.00 O ATOM 0 H GLY A 93 -15.051 -9.388 13.175 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.424 -10.285 15.204 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.694 -10.339 15.478 1.00 0.00 H new ATOM 1480 N THR A 94 -15.121 -7.404 15.673 1.00 0.00 N ATOM 1481 CA THR A 94 -15.239 -6.223 16.498 1.00 0.00 C ATOM 1482 C THR A 94 -16.552 -6.233 17.283 1.00 0.00 C ATOM 1483 O THR A 94 -17.580 -5.735 16.814 1.00 0.00 O ATOM 1484 CB THR A 94 -15.146 -4.938 15.642 1.00 0.00 C ATOM 1485 OG1 THR A 94 -14.023 -5.043 14.741 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.957 -3.708 16.528 1.00 0.00 C ATOM 0 H THR A 94 -15.440 -7.283 14.712 1.00 0.00 H new ATOM 0 HA THR A 94 -14.410 -6.231 17.205 1.00 0.00 H new ATOM 0 HB THR A 94 -16.074 -4.830 15.080 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.664 -4.149 14.560 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.894 -2.816 15.904 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.804 -3.616 17.208 1.00 0.00 H new ATOM 0 HG23 THR A 94 -14.038 -3.813 17.105 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.513 -6.824 18.466 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.673 -6.880 19.332 1.00 0.00 C ATOM 1496 C ILE A 95 -17.484 -5.955 20.518 1.00 0.00 C ATOM 1497 O ILE A 95 -16.459 -6.009 21.204 1.00 0.00 O ATOM 1498 CB ILE A 95 -17.956 -8.321 19.833 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -18.325 -9.223 18.660 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -19.066 -8.330 20.879 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -18.390 -10.694 19.016 1.00 0.00 C ATOM 0 H ILE A 95 -15.682 -7.275 18.848 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.532 -6.556 18.745 1.00 0.00 H new ATOM 0 HB ILE A 95 -17.049 -8.703 20.301 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -19.292 -8.912 18.264 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.595 -9.084 17.863 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -19.243 -9.352 21.212 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -18.769 -7.717 21.730 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -19.980 -7.927 20.443 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -18.658 -11.271 18.131 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -17.418 -11.023 19.383 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -19.141 -10.848 19.791 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.460 -5.104 20.742 1.00 0.00 N ATOM 1514 CA TYR A 96 -18.411 -4.155 21.820 1.00 0.00 C ATOM 1515 C TYR A 96 -19.731 -4.186 22.581 1.00 0.00 C ATOM 1516 O TYR A 96 -20.799 -4.204 21.971 1.00 0.00 O ATOM 1517 CB TYR A 96 -18.145 -2.756 21.264 1.00 0.00 C ATOM 1518 CG TYR A 96 -17.686 -1.763 22.300 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -16.336 -1.632 22.588 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -18.587 -0.964 22.989 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -15.891 -0.733 23.534 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -18.153 -0.060 23.937 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.798 0.050 24.207 1.00 0.00 C ATOM 1524 OH TYR A 96 -16.354 0.943 25.154 1.00 0.00 O ATOM 0 H TYR A 96 -19.309 -5.054 20.179 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.603 -4.416 22.504 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -17.390 -2.825 20.481 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -19.056 -2.383 20.796 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -15.620 -2.245 22.062 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -19.643 -1.051 22.780 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -14.835 -0.645 23.745 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -18.864 0.558 24.465 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.530 1.370 24.840 1.00 0.00 H new ATOM 1534 N CYS A 97 -19.647 -4.235 23.913 1.00 0.00 N ATOM 1535 CA CYS A 97 -20.829 -4.256 24.791 1.00 0.00 C ATOM 1536 C CYS A 97 -21.681 -5.526 24.569 1.00 0.00 C ATOM 1537 O CYS A 97 -22.807 -5.622 25.055 1.00 0.00 O ATOM 1538 CB CYS A 97 -21.676 -2.981 24.587 1.00 0.00 C ATOM 1539 SG CYS A 97 -22.978 -2.731 25.823 1.00 0.00 S ATOM 0 H CYS A 97 -18.760 -4.261 24.417 1.00 0.00 H new ATOM 0 HA CYS A 97 -20.477 -4.277 25.823 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -21.013 -2.116 24.597 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -22.135 -3.020 23.599 1.00 0.00 H new ATOM 0 HG CYS A 97 -23.558 -3.866 26.078 1.00 0.00 H new ATOM 1545 N GLY A 98 -21.116 -6.508 23.871 1.00 0.00 N ATOM 1546 CA GLY A 98 -21.838 -7.732 23.607 1.00 0.00 C ATOM 1547 C GLY A 98 -22.499 -7.757 22.239 1.00 0.00 C ATOM 1548 O GLY A 98 -23.303 -8.640 21.952 1.00 0.00 O ATOM 0 H GLY A 98 -20.172 -6.474 23.486 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -21.152 -8.575 23.687 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -22.601 -7.868 24.374 1.00 0.00 H new ATOM 1552 N ALA A 99 -22.177 -6.791 21.401 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.732 -6.745 20.054 1.00 0.00 C ATOM 1554 C ALA A 99 -21.657 -6.394 19.042 1.00 0.00 C ATOM 1555 O ALA A 99 -20.711 -5.675 19.357 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.867 -5.743 19.976 1.00 0.00 C ATOM 0 H ALA A 99 -21.537 -6.029 21.624 1.00 0.00 H new ATOM 0 HA ALA A 99 -23.123 -7.734 19.817 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -24.267 -5.724 18.962 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.655 -6.031 20.672 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.496 -4.752 20.238 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.792 -6.911 17.842 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.841 -6.624 16.789 1.00 0.00 C ATOM 1564 C ALA A 100 -21.281 -5.405 16.006 1.00 0.00 C ATOM 1565 O ALA A 100 -22.413 -5.343 15.515 1.00 0.00 O ATOM 1566 CB ALA A 100 -20.683 -7.825 15.866 1.00 0.00 C ATOM 0 H ALA A 100 -22.552 -7.534 17.569 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.872 -6.415 17.243 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.964 -7.589 15.081 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -20.326 -8.680 16.440 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -21.646 -8.067 15.415 1.00 0.00 H new ATOM 1572 N ILE A 101 -20.396 -4.433 15.900 1.00 0.00 N ATOM 1573 CA ILE A 101 -20.692 -3.220 15.168 1.00 0.00 C ATOM 1574 C ILE A 101 -20.244 -3.363 13.717 1.00 0.00 C ATOM 1575 O ILE A 101 -19.247 -4.026 13.429 1.00 0.00 O ATOM 1576 CB ILE A 101 -20.033 -1.963 15.811 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -18.502 -2.089 15.834 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -20.573 -1.750 17.221 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -17.787 -0.824 16.275 1.00 0.00 C ATOM 0 H ILE A 101 -19.464 -4.461 16.313 1.00 0.00 H new ATOM 0 HA ILE A 101 -21.771 -3.073 15.207 1.00 0.00 H new ATOM 0 HB ILE A 101 -20.287 -1.096 15.201 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -18.224 -2.904 16.503 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -18.155 -2.362 14.838 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -20.105 -0.869 17.660 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -21.653 -1.605 17.179 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -20.348 -2.624 17.833 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -16.710 -0.992 16.265 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -18.033 -0.010 15.593 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -18.104 -0.560 17.284 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.985 -2.755 12.813 1.00 0.00 N ATOM 1592 CA GLY A 102 -20.664 -2.875 11.413 1.00 0.00 C ATOM 1593 C GLY A 102 -19.889 -1.688 10.908 1.00 0.00 C ATOM 1594 O GLY A 102 -20.280 -0.539 11.133 1.00 0.00 O ATOM 0 H GLY A 102 -21.802 -2.181 13.022 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -20.083 -3.783 11.251 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.584 -2.979 10.838 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.787 -1.961 10.245 1.00 0.00 N ATOM 1599 CA CYS A 103 -17.940 -0.922 9.695 1.00 0.00 C ATOM 1600 C CYS A 103 -17.624 -1.243 8.240 1.00 0.00 C ATOM 1601 O CYS A 103 -16.933 -2.222 7.946 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.648 -0.816 10.510 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.904 -0.588 12.290 1.00 0.00 S ATOM 0 H CYS A 103 -18.452 -2.908 10.071 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.460 0.035 9.743 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -16.058 -1.719 10.353 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -16.060 0.019 10.130 1.00 0.00 H new ATOM 0 HG CYS A 103 -15.752 -0.512 12.888 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.152 -0.443 7.337 1.00 0.00 N ATOM 1610 CA VAL A 104 -17.954 -0.674 5.916 1.00 0.00 C ATOM 1611 C VAL A 104 -17.724 0.640 5.185 1.00 0.00 C ATOM 1612 O VAL A 104 -17.983 1.715 5.732 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.180 -1.396 5.274 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -19.336 -2.802 5.823 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.455 -0.593 5.492 1.00 0.00 C ATOM 0 H VAL A 104 -18.722 0.373 7.559 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.076 -1.312 5.818 1.00 0.00 H new ATOM 0 HB VAL A 104 -18.999 -1.470 4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -20.198 -3.281 5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.438 -3.380 5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -19.484 -2.757 6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.296 -1.115 5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.635 -0.479 6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.348 0.391 5.035 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.220 0.580 3.938 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.032 1.766 3.116 1.00 0.00 C ATOM 1627 C PRO A 105 -18.379 2.346 2.717 1.00 0.00 C ATOM 1628 O PRO A 105 -19.389 1.643 2.744 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.282 1.247 1.873 1.00 0.00 C ATOM 1630 CG PRO A 105 -15.825 -0.128 2.226 1.00 0.00 C ATOM 1631 CD PRO A 105 -16.800 -0.642 3.238 1.00 0.00 C ATOM 0 HA PRO A 105 -16.489 2.557 3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -16.934 1.231 1.000 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.437 1.890 1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -15.803 -0.770 1.345 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -14.814 -0.110 2.633 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -17.643 -1.148 2.767 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -16.338 -1.358 3.917 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.404 3.619 2.382 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.642 4.268 1.995 1.00 0.00 C ATOM 1641 C TYR A 106 -20.258 3.590 0.769 1.00 0.00 C ATOM 1642 O TYR A 106 -19.659 3.566 -0.310 1.00 0.00 O ATOM 1643 CB TYR A 106 -19.395 5.747 1.680 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.660 6.535 1.385 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.192 6.591 0.100 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -21.323 7.210 2.395 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -22.345 7.302 -0.166 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -22.480 7.921 2.141 1.00 0.00 C ATOM 1649 CZ TYR A 106 -22.987 7.964 0.857 1.00 0.00 C ATOM 1650 OH TYR A 106 -24.140 8.668 0.599 1.00 0.00 O ATOM 0 H TYR A 106 -17.584 4.225 2.369 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.335 4.183 2.832 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.881 6.207 2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.726 5.819 0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.694 6.069 -0.703 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.929 7.180 3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -22.741 7.339 -1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -22.985 8.440 2.942 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.467 9.075 1.428 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.439 3.032 0.951 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.198 2.455 -0.146 1.00 0.00 C ATOM 1662 C LYS A 107 -23.481 3.238 -0.321 1.00 0.00 C ATOM 1663 O LYS A 107 -24.162 3.549 0.655 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.516 0.963 0.092 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.461 -0.016 -0.437 1.00 0.00 C ATOM 1666 CD LYS A 107 -20.219 -0.047 0.431 1.00 0.00 C ATOM 1667 CE LYS A 107 -19.138 -0.943 -0.163 1.00 0.00 C ATOM 1668 NZ LYS A 107 -19.580 -2.358 -0.284 1.00 0.00 N ATOM 0 H LYS A 107 -21.900 2.965 1.859 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.592 2.514 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -22.638 0.799 1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.472 0.731 -0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -21.890 -1.016 -0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -21.185 0.265 -1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -19.830 0.965 0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -20.480 -0.404 1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -18.858 -0.567 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -18.246 -0.896 0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -18.773 -2.951 -0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -19.950 -2.686 0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -20.327 -2.428 -1.004 1.00 0.00 H new ATOM 1682 N HIS A 108 -23.818 3.541 -1.556 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.010 4.337 -1.851 1.00 0.00 C ATOM 1684 C HIS A 108 -26.268 3.592 -1.421 1.00 0.00 C ATOM 1685 O HIS A 108 -27.199 4.180 -0.870 1.00 0.00 O ATOM 1686 CB HIS A 108 -25.062 4.676 -3.350 1.00 0.00 C ATOM 1687 CG HIS A 108 -26.237 5.520 -3.759 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -26.314 6.875 -3.522 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -27.382 5.194 -4.398 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -27.454 7.341 -3.997 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -28.117 6.343 -4.532 1.00 0.00 N ATOM 0 H HIS A 108 -23.289 3.252 -2.379 1.00 0.00 H new ATOM 0 HA HIS A 108 -24.959 5.269 -1.288 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -24.144 5.197 -3.624 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -25.083 3.747 -3.919 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -27.666 4.210 -4.740 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -27.785 8.368 -3.953 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -29.033 6.411 -4.976 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.281 2.294 -1.667 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.422 1.458 -1.333 1.00 0.00 C ATOM 1701 C GLU A 109 -27.632 1.383 0.184 1.00 0.00 C ATOM 1702 O GLU A 109 -28.767 1.420 0.667 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.229 0.057 -1.903 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.423 -0.853 -1.714 1.00 0.00 C ATOM 1705 CD GLU A 109 -28.174 -2.246 -2.225 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -27.703 -3.098 -1.438 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -28.471 -2.508 -3.405 1.00 0.00 O ATOM 0 H GLU A 109 -25.507 1.792 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.311 1.908 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.010 0.136 -2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.359 -0.399 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.677 -0.898 -0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.284 -0.429 -2.230 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.534 1.288 0.930 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.606 1.189 2.389 1.00 0.00 C ATOM 1716 C LEU A 110 -27.254 2.437 2.982 1.00 0.00 C ATOM 1717 O LEU A 110 -28.157 2.350 3.804 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.204 1.010 2.975 1.00 0.00 C ATOM 1719 CG LEU A 110 -25.125 0.942 4.500 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -25.812 -0.308 5.024 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -23.680 0.997 4.960 1.00 0.00 C ATOM 0 H LEU A 110 -25.587 1.277 0.552 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.216 0.322 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -24.774 0.096 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.580 1.836 2.634 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.648 1.807 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -25.742 -0.333 6.111 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -26.861 -0.298 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -25.327 -1.191 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.642 0.948 6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -23.132 0.154 4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.226 1.929 4.623 1.00 0.00 H new ATOM 1733 N ILE A 111 -26.805 3.593 2.522 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.350 4.860 2.966 1.00 0.00 C ATOM 1735 C ILE A 111 -28.815 4.972 2.586 1.00 0.00 C ATOM 1736 O ILE A 111 -29.633 5.444 3.375 1.00 0.00 O ATOM 1737 CB ILE A 111 -26.525 6.063 2.416 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.256 6.262 3.264 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -27.349 7.350 2.389 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -24.290 5.097 3.256 1.00 0.00 C ATOM 0 H ILE A 111 -26.057 3.677 1.834 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.278 4.895 4.053 1.00 0.00 H new ATOM 0 HB ILE A 111 -26.242 5.832 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -24.734 7.149 2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -25.553 6.461 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -26.739 8.165 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -28.220 7.211 1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -27.677 7.593 3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -23.429 5.334 3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -24.788 4.209 3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -23.956 4.908 2.236 1.00 0.00 H new ATOM 1752 N SER A 112 -29.143 4.523 1.387 1.00 0.00 N ATOM 1753 CA SER A 112 -30.510 4.546 0.916 1.00 0.00 C ATOM 1754 C SER A 112 -31.406 3.741 1.863 1.00 0.00 C ATOM 1755 O SER A 112 -32.453 4.225 2.296 1.00 0.00 O ATOM 1756 CB SER A 112 -30.584 3.953 -0.499 1.00 0.00 C ATOM 1757 OG SER A 112 -31.796 4.305 -1.150 1.00 0.00 O ATOM 0 H SER A 112 -28.474 4.137 0.721 1.00 0.00 H new ATOM 0 HA SER A 112 -30.858 5.579 0.891 1.00 0.00 H new ATOM 0 HB2 SER A 112 -29.738 4.308 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 112 -30.502 2.868 -0.444 1.00 0.00 H new ATOM 0 HG SER A 112 -31.811 3.913 -2.048 1.00 0.00 H new ATOM 1763 N GLU A 113 -30.968 2.530 2.222 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.742 1.693 3.134 1.00 0.00 C ATOM 1765 C GLU A 113 -31.796 2.303 4.526 1.00 0.00 C ATOM 1766 O GLU A 113 -32.836 2.278 5.180 1.00 0.00 O ATOM 1767 CB GLU A 113 -31.197 0.268 3.208 1.00 0.00 C ATOM 1768 CG GLU A 113 -32.028 -0.632 4.114 1.00 0.00 C ATOM 1769 CD GLU A 113 -31.533 -2.051 4.162 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -30.678 -2.367 5.021 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -32.022 -2.874 3.357 1.00 0.00 O ATOM 0 H GLU A 113 -30.094 2.115 1.899 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.754 1.644 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -31.169 -0.159 2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -30.170 0.294 3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -32.027 -0.220 5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -33.062 -0.627 3.769 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.678 2.865 4.966 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.599 3.502 6.269 1.00 0.00 C ATOM 1780 C LEU A 114 -31.547 4.691 6.347 1.00 0.00 C ATOM 1781 O LEU A 114 -32.165 4.942 7.381 1.00 0.00 O ATOM 1782 CB LEU A 114 -29.171 3.924 6.569 1.00 0.00 C ATOM 1783 CG LEU A 114 -28.189 2.771 6.779 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -26.790 3.294 6.959 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -28.601 1.923 7.974 1.00 0.00 C ATOM 0 H LEU A 114 -29.809 2.891 4.433 1.00 0.00 H new ATOM 0 HA LEU A 114 -30.906 2.779 7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -28.811 4.544 5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -29.172 4.548 7.463 1.00 0.00 H new ATOM 0 HG LEU A 114 -28.209 2.140 5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -26.106 2.459 7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -26.494 3.853 6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -26.756 3.950 7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -27.889 1.109 8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -28.614 2.541 8.872 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -29.595 1.511 7.802 1.00 0.00 H new ATOM 1797 N SER A 115 -31.640 5.433 5.257 1.00 0.00 N ATOM 1798 CA SER A 115 -32.556 6.546 5.174 1.00 0.00 C ATOM 1799 C SER A 115 -34.010 6.036 5.245 1.00 0.00 C ATOM 1800 O SER A 115 -34.867 6.645 5.885 1.00 0.00 O ATOM 1801 CB SER A 115 -32.318 7.320 3.872 1.00 0.00 C ATOM 1802 OG SER A 115 -32.913 8.613 3.914 1.00 0.00 O ATOM 0 H SER A 115 -31.086 5.279 4.414 1.00 0.00 H new ATOM 0 HA SER A 115 -32.384 7.218 6.014 1.00 0.00 H new ATOM 0 HB2 SER A 115 -31.247 7.418 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 115 -32.728 6.757 3.033 1.00 0.00 H new ATOM 0 HG SER A 115 -32.741 9.080 3.070 1.00 0.00 H new