USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 91 SER OG : rot -119:sc= 0.498 USER MOD Set 1.2: A 93 THR OG1 : rot 51:sc= 0.19 USER MOD Set 2.1: A 46 LYS NZ :NH3+ -136:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 66 ASN : amide:sc= -0.701! C(o=0.52!,f=-8.2!) USER MOD Set 3.1: A 15 TYR OH : rot -151:sc= 0.386 USER MOD Set 3.2: A 17 ASN : amide:sc= 0.356 X(o=0.74,f=0.71) USER MOD Set 4.1: A 12 CYS SG : rot 150:sc= -0.106 USER MOD Set 4.2: A 50 HIS : no HD1:sc= -1.3! X(o=-1.4!,f=-1.2) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -100:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00618) USER MOD Single : A 26 GLN : amide:sc= -0.272 K(o=-0.27,f=-1.6) USER MOD Single : A 28 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.3) USER MOD Single : A 30 MET CE :methyl -139:sc= 0 (180deg=-1.04) USER MOD Single : A 34 HIS : no HD1:sc= -2.26 K(o=-2.3,f=-3.4) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.0287 F(o=-1.1,f=-0.029) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= -1.57! (180deg=-2.63!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -116:sc= 0.453 (180deg=-0.174) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 89:sc= 0.845 USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0469) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 165:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 7 -1.953 -13.988 3.492 1.00 0.00 N ATOM 84 CA LYS A 7 -3.298 -13.505 3.072 1.00 0.00 C ATOM 85 C LYS A 7 -4.510 -14.346 3.607 1.00 0.00 C ATOM 86 O LYS A 7 -5.572 -14.366 2.968 1.00 0.00 O ATOM 87 CB LYS A 7 -3.332 -13.391 1.503 1.00 0.00 C ATOM 88 CG LYS A 7 -3.409 -14.721 0.695 1.00 0.00 C ATOM 89 CD LYS A 7 -2.184 -15.641 0.879 1.00 0.00 C ATOM 90 CE LYS A 7 -2.306 -16.969 0.119 1.00 0.00 C ATOM 91 NZ LYS A 7 -2.205 -16.790 -1.350 1.00 0.00 N ATOM 0 HA LYS A 7 -3.433 -12.528 3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.190 -12.778 1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.440 -12.853 1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.306 -15.264 0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.517 -14.485 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.290 -15.117 0.541 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.050 -15.848 1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.523 -17.650 0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.260 -17.437 0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.293 -17.714 -1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.967 -16.162 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.284 -16.368 -1.586 1.00 0.00 H new ATOM 105 N ILE A 8 -4.369 -14.968 4.798 1.00 0.00 N ATOM 106 CA ILE A 8 -5.456 -15.732 5.474 1.00 0.00 C ATOM 107 C ILE A 8 -6.747 -14.883 5.623 1.00 0.00 C ATOM 108 O ILE A 8 -7.851 -15.341 5.300 1.00 0.00 O ATOM 109 CB ILE A 8 -5.004 -16.208 6.916 1.00 0.00 C ATOM 110 CG1 ILE A 8 -3.671 -17.019 6.859 1.00 0.00 C ATOM 111 CG2 ILE A 8 -6.116 -17.029 7.622 1.00 0.00 C ATOM 112 CD1 ILE A 8 -3.116 -17.440 8.214 1.00 0.00 C ATOM 0 H ILE A 8 -3.496 -14.958 5.325 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.664 -16.597 4.844 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.826 -15.309 7.507 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.832 -17.912 6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.920 -16.419 6.346 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.770 -17.338 8.608 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.010 -16.415 7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.350 -17.912 7.027 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.190 -17.997 8.071 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.917 -16.554 8.817 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.843 -18.071 8.725 1.00 0.00 H new ATOM 124 N PHE A 9 -6.581 -13.629 6.092 1.00 0.00 N ATOM 125 CA PHE A 9 -7.708 -12.731 6.416 1.00 0.00 C ATOM 126 C PHE A 9 -7.855 -11.607 5.371 1.00 0.00 C ATOM 127 O PHE A 9 -8.642 -10.688 5.581 1.00 0.00 O ATOM 128 CB PHE A 9 -7.521 -12.127 7.841 1.00 0.00 C ATOM 129 CG PHE A 9 -7.359 -13.174 8.942 1.00 0.00 C ATOM 130 CD1 PHE A 9 -8.461 -13.855 9.457 1.00 0.00 C ATOM 131 CD2 PHE A 9 -6.098 -13.489 9.447 1.00 0.00 C ATOM 132 CE1 PHE A 9 -8.304 -14.817 10.440 1.00 0.00 C ATOM 133 CE2 PHE A 9 -5.945 -14.450 10.423 1.00 0.00 C ATOM 134 CZ PHE A 9 -7.047 -15.112 10.920 1.00 0.00 C ATOM 0 H PHE A 9 -5.665 -13.212 6.256 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.624 -13.322 6.396 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.645 -11.479 7.838 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.381 -11.499 8.074 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.449 -13.629 9.085 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.229 -12.972 9.068 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.167 -15.336 10.830 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.960 -14.685 10.799 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.925 -15.863 11.687 1.00 0.00 H new ATOM 144 N LYS A 10 -7.122 -11.704 4.237 1.00 0.00 N ATOM 145 CA LYS A 10 -7.131 -10.668 3.162 1.00 0.00 C ATOM 146 C LYS A 10 -8.559 -10.432 2.622 1.00 0.00 C ATOM 147 O LYS A 10 -8.993 -9.291 2.420 1.00 0.00 O ATOM 148 CB LYS A 10 -6.207 -11.110 2.000 1.00 0.00 C ATOM 149 CG LYS A 10 -6.109 -10.120 0.816 1.00 0.00 C ATOM 150 CD LYS A 10 -5.451 -8.779 1.206 1.00 0.00 C ATOM 151 CE LYS A 10 -5.422 -7.777 0.042 1.00 0.00 C ATOM 152 NZ LYS A 10 -4.697 -6.534 0.397 1.00 0.00 N ATOM 0 H LYS A 10 -6.510 -12.495 4.036 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.767 -9.734 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.205 -11.275 2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.561 -12.069 1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.535 -10.580 0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.109 -9.928 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.994 -8.342 2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.433 -8.964 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.946 -8.240 -0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.443 -7.530 -0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.701 -5.885 -0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.165 -6.078 1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.715 -6.765 0.651 1.00 0.00 H new ATOM 166 N ASN A 11 -9.268 -11.544 2.405 1.00 0.00 N ATOM 167 CA ASN A 11 -10.654 -11.551 1.900 1.00 0.00 C ATOM 168 C ASN A 11 -11.665 -11.221 3.028 1.00 0.00 C ATOM 169 O ASN A 11 -12.805 -10.816 2.764 1.00 0.00 O ATOM 170 CB ASN A 11 -10.934 -12.946 1.271 1.00 0.00 C ATOM 171 CG ASN A 11 -12.347 -13.109 0.696 1.00 0.00 C ATOM 172 OD1 ASN A 11 -13.250 -13.600 1.372 1.00 0.00 O ATOM 173 ND2 ASN A 11 -12.552 -12.689 -0.546 1.00 0.00 N ATOM 0 H ASN A 11 -8.896 -12.478 2.576 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.776 -10.777 1.142 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.209 -13.125 0.477 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.773 -13.712 2.029 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.479 -12.769 -0.965 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.783 -12.286 -1.082 1.00 0.00 H new ATOM 180 N CYS A 12 -11.221 -11.372 4.286 1.00 0.00 N ATOM 181 CA CYS A 12 -12.081 -11.270 5.472 1.00 0.00 C ATOM 182 C CYS A 12 -11.986 -9.881 6.149 1.00 0.00 C ATOM 183 O CYS A 12 -10.888 -9.381 6.443 1.00 0.00 O ATOM 184 CB CYS A 12 -11.672 -12.378 6.470 1.00 0.00 C ATOM 185 SG CYS A 12 -11.715 -14.049 5.779 1.00 0.00 S ATOM 0 H CYS A 12 -10.246 -11.570 4.509 1.00 0.00 H new ATOM 0 HA CYS A 12 -13.117 -11.396 5.159 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.665 -12.172 6.832 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.336 -12.337 7.334 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.821 -14.786 6.369 1.00 0.00 H new ATOM 191 N VAL A 13 -13.150 -9.249 6.362 1.00 0.00 N ATOM 192 CA VAL A 13 -13.300 -8.122 7.302 1.00 0.00 C ATOM 193 C VAL A 13 -13.828 -8.687 8.632 1.00 0.00 C ATOM 194 O VAL A 13 -14.797 -9.465 8.621 1.00 0.00 O ATOM 195 CB VAL A 13 -14.294 -7.026 6.766 1.00 0.00 C ATOM 196 CG1 VAL A 13 -14.351 -5.793 7.712 1.00 0.00 C ATOM 197 CG2 VAL A 13 -13.939 -6.608 5.325 1.00 0.00 C ATOM 0 H VAL A 13 -14.016 -9.503 5.888 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.331 -7.639 7.428 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.290 -7.469 6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.047 -5.057 7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.687 -6.108 8.700 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.359 -5.348 7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.643 -5.850 4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.928 -6.201 5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.994 -7.477 4.670 1.00 0.00 H new ATOM 207 N ILE A 14 -13.187 -8.324 9.767 1.00 0.00 N ATOM 208 CA ILE A 14 -13.545 -8.866 11.098 1.00 0.00 C ATOM 209 C ILE A 14 -13.944 -7.752 12.099 1.00 0.00 C ATOM 210 O ILE A 14 -13.146 -6.865 12.410 1.00 0.00 O ATOM 211 CB ILE A 14 -12.380 -9.730 11.733 1.00 0.00 C ATOM 212 CG1 ILE A 14 -12.064 -11.036 10.910 1.00 0.00 C ATOM 213 CG2 ILE A 14 -12.681 -10.082 13.208 1.00 0.00 C ATOM 214 CD1 ILE A 14 -11.140 -10.842 9.720 1.00 0.00 C ATOM 0 H ILE A 14 -12.417 -7.656 9.787 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.406 -9.511 10.921 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.487 -9.105 11.695 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.617 -11.770 11.581 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -13.004 -11.459 10.555 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.862 -10.675 13.615 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.787 -9.164 13.787 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.607 -10.655 13.264 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.985 -11.798 9.220 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.590 -10.136 9.021 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.182 -10.452 10.063 1.00 0.00 H new ATOM 226 N TYR A 15 -15.169 -7.863 12.651 1.00 0.00 N ATOM 227 CA TYR A 15 -15.633 -7.069 13.804 1.00 0.00 C ATOM 228 C TYR A 15 -15.632 -7.980 15.030 1.00 0.00 C ATOM 229 O TYR A 15 -16.252 -9.022 15.005 1.00 0.00 O ATOM 230 CB TYR A 15 -17.064 -6.503 13.565 1.00 0.00 C ATOM 231 CG TYR A 15 -17.763 -5.981 14.841 1.00 0.00 C ATOM 232 CD1 TYR A 15 -17.335 -4.816 15.478 1.00 0.00 C ATOM 233 CD2 TYR A 15 -18.833 -6.678 15.424 1.00 0.00 C ATOM 234 CE1 TYR A 15 -17.947 -4.363 16.634 1.00 0.00 C ATOM 235 CE2 TYR A 15 -19.443 -6.222 16.577 1.00 0.00 C ATOM 236 CZ TYR A 15 -18.996 -5.066 17.179 1.00 0.00 C ATOM 237 OH TYR A 15 -19.611 -4.609 18.332 1.00 0.00 O ATOM 0 H TYR A 15 -15.872 -8.515 12.303 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.967 -6.218 13.950 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -17.005 -5.692 12.840 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.681 -7.284 13.120 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -16.510 -4.257 15.061 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -19.186 -7.588 14.962 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.600 -3.457 17.108 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -20.269 -6.771 17.006 1.00 0.00 H new ATOM 0 HH TYR A 15 -19.974 -5.369 18.833 1.00 0.00 H new ATOM 247 N ILE A 16 -14.951 -7.574 16.103 1.00 0.00 N ATOM 248 CA ILE A 16 -14.912 -8.343 17.357 1.00 0.00 C ATOM 249 C ILE A 16 -15.928 -7.742 18.345 1.00 0.00 C ATOM 250 O ILE A 16 -16.082 -6.521 18.410 1.00 0.00 O ATOM 251 CB ILE A 16 -13.459 -8.370 17.957 1.00 0.00 C ATOM 252 CG1 ILE A 16 -12.448 -8.890 16.875 1.00 0.00 C ATOM 253 CG2 ILE A 16 -13.396 -9.234 19.244 1.00 0.00 C ATOM 254 CD1 ILE A 16 -10.998 -8.959 17.319 1.00 0.00 C ATOM 0 H ILE A 16 -14.412 -6.708 16.132 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.187 -9.379 17.159 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.180 -7.355 18.238 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.761 -9.885 16.558 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.512 -8.242 16.001 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.378 -9.232 19.634 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.072 -8.821 19.993 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.693 -10.256 19.011 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.384 -9.330 16.499 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.658 -7.964 17.606 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.910 -9.632 18.172 1.00 0.00 H new ATOM 266 N ASN A 17 -16.640 -8.610 19.082 1.00 0.00 N ATOM 267 CA ASN A 17 -17.755 -8.230 19.966 1.00 0.00 C ATOM 268 C ASN A 17 -17.638 -8.975 21.305 1.00 0.00 C ATOM 269 O ASN A 17 -17.269 -10.160 21.334 1.00 0.00 O ATOM 270 CB ASN A 17 -19.112 -8.576 19.289 1.00 0.00 C ATOM 271 CG ASN A 17 -20.336 -8.071 20.070 1.00 0.00 C ATOM 272 OD1 ASN A 17 -20.799 -6.949 19.869 1.00 0.00 O ATOM 273 ND2 ASN A 17 -20.861 -8.894 20.972 1.00 0.00 N ATOM 0 H ASN A 17 -16.454 -9.613 19.080 1.00 0.00 H new ATOM 0 HA ASN A 17 -17.711 -7.156 20.149 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.128 -8.147 18.287 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.186 -9.657 19.174 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -21.670 -8.601 21.520 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -20.455 -9.819 21.116 1.00 0.00 H new ATOM 280 N GLY A 18 -17.970 -8.266 22.402 1.00 0.00 N ATOM 281 CA GLY A 18 -18.013 -8.854 23.746 1.00 0.00 C ATOM 282 C GLY A 18 -16.634 -9.240 24.286 1.00 0.00 C ATOM 283 O GLY A 18 -15.624 -8.607 23.948 1.00 0.00 O ATOM 0 H GLY A 18 -18.214 -7.276 22.377 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.477 -8.144 24.430 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.648 -9.740 23.727 1.00 0.00 H new ATOM 287 N TYR A 19 -16.598 -10.290 25.120 1.00 0.00 N ATOM 288 CA TYR A 19 -15.361 -10.805 25.730 1.00 0.00 C ATOM 289 C TYR A 19 -14.811 -11.969 24.893 1.00 0.00 C ATOM 290 O TYR A 19 -15.481 -12.997 24.737 1.00 0.00 O ATOM 291 CB TYR A 19 -15.642 -11.254 27.187 1.00 0.00 C ATOM 292 CG TYR A 19 -16.136 -10.116 28.099 1.00 0.00 C ATOM 293 CD1 TYR A 19 -15.246 -9.157 28.598 1.00 0.00 C ATOM 294 CD2 TYR A 19 -17.486 -9.986 28.445 1.00 0.00 C ATOM 295 CE1 TYR A 19 -15.681 -8.121 29.409 1.00 0.00 C ATOM 296 CE2 TYR A 19 -17.922 -8.947 29.254 1.00 0.00 C ATOM 297 CZ TYR A 19 -17.020 -8.021 29.733 1.00 0.00 C ATOM 298 OH TYR A 19 -17.457 -6.984 30.533 1.00 0.00 O ATOM 0 H TYR A 19 -17.432 -10.810 25.393 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.610 -10.015 25.752 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -16.388 -12.049 27.176 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.731 -11.678 27.610 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.198 -9.226 28.345 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.200 -10.707 28.076 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -14.976 -7.395 29.786 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -18.968 -8.863 29.509 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.425 -7.058 30.665 1.00 0.00 H new ATOM 308 N THR A 20 -13.612 -11.770 24.325 1.00 0.00 N ATOM 309 CA THR A 20 -12.899 -12.778 23.526 1.00 0.00 C ATOM 310 C THR A 20 -11.468 -12.905 24.060 1.00 0.00 C ATOM 311 O THR A 20 -10.826 -11.879 24.353 1.00 0.00 O ATOM 312 CB THR A 20 -12.856 -12.367 22.012 1.00 0.00 C ATOM 313 OG1 THR A 20 -12.220 -11.080 21.865 1.00 0.00 O ATOM 314 CG2 THR A 20 -14.260 -12.305 21.381 1.00 0.00 C ATOM 0 H THR A 20 -13.103 -10.890 24.409 1.00 0.00 H new ATOM 0 HA THR A 20 -13.424 -13.730 23.606 1.00 0.00 H new ATOM 0 HB THR A 20 -12.285 -13.136 21.492 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.905 -10.387 21.759 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.176 -12.016 20.333 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.734 -13.284 21.451 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.865 -11.570 21.912 1.00 0.00 H new ATOM 322 N LYS A 21 -10.964 -14.147 24.235 1.00 0.00 N ATOM 323 CA LYS A 21 -9.553 -14.378 24.610 1.00 0.00 C ATOM 324 C LYS A 21 -8.775 -15.025 23.441 1.00 0.00 C ATOM 325 O LYS A 21 -9.252 -15.996 22.844 1.00 0.00 O ATOM 326 CB LYS A 21 -9.394 -15.218 25.900 1.00 0.00 C ATOM 327 CG LYS A 21 -10.062 -14.616 27.162 1.00 0.00 C ATOM 328 CD LYS A 21 -9.664 -13.139 27.450 1.00 0.00 C ATOM 329 CE LYS A 21 -8.155 -12.926 27.668 1.00 0.00 C ATOM 330 NZ LYS A 21 -7.621 -13.748 28.786 1.00 0.00 N ATOM 0 H LYS A 21 -11.511 -15.000 24.123 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.128 -13.397 24.825 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.813 -16.209 25.724 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.331 -15.352 26.099 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.145 -14.674 27.049 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.799 -15.227 28.026 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.991 -12.517 26.617 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.200 -12.795 28.335 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.620 -13.174 26.751 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.966 -11.872 27.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.609 -13.544 28.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.134 -13.519 29.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.745 -14.757 28.565 1.00 0.00 H new ATOM 344 N PRO A 22 -7.560 -14.483 23.076 1.00 0.00 N ATOM 345 CA PRO A 22 -6.932 -13.303 23.735 1.00 0.00 C ATOM 346 C PRO A 22 -7.639 -11.981 23.352 1.00 0.00 C ATOM 347 O PRO A 22 -8.544 -11.988 22.506 1.00 0.00 O ATOM 348 CB PRO A 22 -5.488 -13.360 23.219 1.00 0.00 C ATOM 349 CG PRO A 22 -5.627 -13.908 21.838 1.00 0.00 C ATOM 350 CD PRO A 22 -6.711 -14.969 21.961 1.00 0.00 C ATOM 0 HA PRO A 22 -6.999 -13.330 24.823 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.026 -12.373 23.213 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.865 -14.000 23.843 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.910 -13.131 21.128 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.689 -14.337 21.484 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.282 -15.066 21.037 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.288 -15.949 22.179 1.00 0.00 H new ATOM 358 N GLY A 23 -7.222 -10.880 23.998 1.00 0.00 N ATOM 359 CA GLY A 23 -7.874 -9.576 23.853 1.00 0.00 C ATOM 360 C GLY A 23 -8.078 -9.133 22.402 1.00 0.00 C ATOM 361 O GLY A 23 -7.253 -9.444 21.538 1.00 0.00 O ATOM 0 H GLY A 23 -6.424 -10.873 24.634 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.843 -9.610 24.350 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.277 -8.825 24.370 1.00 0.00 H new ATOM 365 N ARG A 24 -9.184 -8.402 22.166 1.00 0.00 N ATOM 366 CA ARG A 24 -9.617 -7.939 20.830 1.00 0.00 C ATOM 367 C ARG A 24 -8.507 -7.193 20.070 1.00 0.00 C ATOM 368 O ARG A 24 -8.441 -7.288 18.848 1.00 0.00 O ATOM 369 CB ARG A 24 -10.906 -7.077 20.944 1.00 0.00 C ATOM 370 CG ARG A 24 -10.774 -5.828 21.837 1.00 0.00 C ATOM 371 CD ARG A 24 -12.058 -4.984 21.902 1.00 0.00 C ATOM 372 NE ARG A 24 -11.862 -3.744 22.683 1.00 0.00 N ATOM 373 CZ ARG A 24 -12.727 -2.717 22.742 1.00 0.00 C ATOM 374 NH1 ARG A 24 -13.885 -2.756 22.095 1.00 0.00 N ATOM 375 NH2 ARG A 24 -12.426 -1.652 23.468 1.00 0.00 N ATOM 0 H ARG A 24 -9.815 -8.110 22.912 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.844 -8.827 20.240 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.204 -6.761 19.944 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.710 -7.701 21.334 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.501 -6.139 22.845 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.959 -5.208 21.463 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.377 -4.730 20.891 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.858 -5.573 22.350 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.000 -3.661 23.221 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.132 -3.576 21.540 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.528 -1.966 22.152 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.543 -1.615 23.977 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.077 -0.868 23.518 1.00 0.00 H new ATOM 389 N LEU A 25 -7.660 -6.435 20.798 1.00 0.00 N ATOM 390 CA LEU A 25 -6.523 -5.709 20.191 1.00 0.00 C ATOM 391 C LEU A 25 -5.508 -6.693 19.569 1.00 0.00 C ATOM 392 O LEU A 25 -5.067 -6.486 18.443 1.00 0.00 O ATOM 393 CB LEU A 25 -5.851 -4.737 21.221 1.00 0.00 C ATOM 394 CG LEU A 25 -5.186 -5.359 22.516 1.00 0.00 C ATOM 395 CD1 LEU A 25 -3.698 -5.753 22.308 1.00 0.00 C ATOM 396 CD2 LEU A 25 -5.323 -4.418 23.737 1.00 0.00 C ATOM 0 H LEU A 25 -7.742 -6.310 21.807 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.910 -5.090 19.381 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.084 -4.171 20.692 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.607 -4.022 21.546 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.738 -6.277 22.716 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.300 -6.173 23.232 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.626 -6.494 21.512 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.122 -4.869 22.034 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.855 -4.879 24.606 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.832 -3.469 23.522 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.379 -4.242 23.944 1.00 0.00 H new ATOM 408 N GLN A 26 -5.195 -7.790 20.294 1.00 0.00 N ATOM 409 CA GLN A 26 -4.182 -8.786 19.861 1.00 0.00 C ATOM 410 C GLN A 26 -4.717 -9.622 18.686 1.00 0.00 C ATOM 411 O GLN A 26 -3.990 -9.893 17.729 1.00 0.00 O ATOM 412 CB GLN A 26 -3.753 -9.693 21.052 1.00 0.00 C ATOM 413 CG GLN A 26 -2.694 -10.764 20.702 1.00 0.00 C ATOM 414 CD GLN A 26 -2.114 -11.500 21.915 1.00 0.00 C ATOM 415 OE1 GLN A 26 -2.758 -11.636 22.956 1.00 0.00 O ATOM 416 NE2 GLN A 26 -0.889 -11.990 21.782 1.00 0.00 N ATOM 0 H GLN A 26 -5.632 -8.011 21.189 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.296 -8.251 19.518 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.361 -9.061 21.849 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.638 -10.192 21.447 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.142 -11.495 20.029 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.879 -10.287 20.157 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.380 -11.861 20.907 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.455 -12.496 22.554 1.00 0.00 H new ATOM 425 N LEU A 27 -5.999 -10.015 18.775 1.00 0.00 N ATOM 426 CA LEU A 27 -6.737 -10.644 17.656 1.00 0.00 C ATOM 427 C LEU A 27 -6.716 -9.747 16.400 1.00 0.00 C ATOM 428 O LEU A 27 -6.497 -10.227 15.293 1.00 0.00 O ATOM 429 CB LEU A 27 -8.199 -10.908 18.064 1.00 0.00 C ATOM 430 CG LEU A 27 -8.432 -11.981 19.161 1.00 0.00 C ATOM 431 CD1 LEU A 27 -9.911 -11.995 19.602 1.00 0.00 C ATOM 432 CD2 LEU A 27 -7.979 -13.375 18.673 1.00 0.00 C ATOM 0 H LEU A 27 -6.556 -9.908 19.622 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.243 -11.587 17.422 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.631 -9.969 18.409 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.753 -11.206 17.173 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.826 -11.722 20.029 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.054 -12.754 20.371 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.181 -11.017 20.002 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.544 -12.224 18.745 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.152 -14.110 19.459 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.548 -13.652 17.785 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.917 -13.348 18.430 1.00 0.00 H new ATOM 444 N HIS A 28 -6.944 -8.438 16.603 1.00 0.00 N ATOM 445 CA HIS A 28 -6.942 -7.439 15.512 1.00 0.00 C ATOM 446 C HIS A 28 -5.543 -7.303 14.891 1.00 0.00 C ATOM 447 O HIS A 28 -5.423 -7.115 13.684 1.00 0.00 O ATOM 448 CB HIS A 28 -7.480 -6.067 16.007 1.00 0.00 C ATOM 449 CG HIS A 28 -8.987 -5.944 15.995 1.00 0.00 C ATOM 450 ND1 HIS A 28 -9.708 -5.312 16.989 1.00 0.00 N ATOM 451 CD2 HIS A 28 -9.900 -6.329 15.071 1.00 0.00 C ATOM 452 CE1 HIS A 28 -10.987 -5.310 16.676 1.00 0.00 C ATOM 453 NE2 HIS A 28 -11.136 -5.918 15.516 1.00 0.00 N ATOM 0 H HIS A 28 -7.134 -8.040 17.523 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.616 -7.793 14.732 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.122 -5.895 17.022 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.059 -5.279 15.383 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.696 -6.861 14.154 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.781 -4.882 17.270 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -12.021 -6.060 15.029 1.00 0.00 H new ATOM 462 N GLU A 29 -4.495 -7.433 15.720 1.00 0.00 N ATOM 463 CA GLU A 29 -3.095 -7.439 15.240 1.00 0.00 C ATOM 464 C GLU A 29 -2.837 -8.678 14.364 1.00 0.00 C ATOM 465 O GLU A 29 -2.196 -8.586 13.319 1.00 0.00 O ATOM 466 CB GLU A 29 -2.086 -7.403 16.417 1.00 0.00 C ATOM 467 CG GLU A 29 -2.137 -6.131 17.284 1.00 0.00 C ATOM 468 CD GLU A 29 -1.921 -4.835 16.487 1.00 0.00 C ATOM 469 OE1 GLU A 29 -0.751 -4.478 16.217 1.00 0.00 O ATOM 470 OE2 GLU A 29 -2.915 -4.164 16.125 1.00 0.00 O ATOM 0 H GLU A 29 -4.587 -7.536 16.731 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.947 -6.538 14.644 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.267 -8.267 17.056 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.079 -7.509 16.015 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.103 -6.082 17.786 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.376 -6.201 18.062 1.00 0.00 H new ATOM 477 N MET A 30 -3.381 -9.829 14.799 1.00 0.00 N ATOM 478 CA MET A 30 -3.304 -11.102 14.046 1.00 0.00 C ATOM 479 C MET A 30 -3.933 -10.961 12.643 1.00 0.00 C ATOM 480 O MET A 30 -3.466 -11.562 11.677 1.00 0.00 O ATOM 481 CB MET A 30 -4.029 -12.227 14.831 1.00 0.00 C ATOM 482 CG MET A 30 -3.365 -12.641 16.143 1.00 0.00 C ATOM 483 SD MET A 30 -4.286 -13.937 17.006 1.00 0.00 S ATOM 484 CE MET A 30 -3.307 -14.148 18.494 1.00 0.00 C ATOM 0 H MET A 30 -3.887 -9.907 15.681 1.00 0.00 H new ATOM 0 HA MET A 30 -2.251 -11.358 13.926 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.046 -11.900 15.045 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.105 -13.104 14.189 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.353 -12.992 15.940 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.275 -11.770 16.792 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.228 -15.209 18.730 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.310 -13.737 18.335 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.787 -13.626 19.322 1.00 0.00 H new ATOM 494 N ILE A 31 -5.001 -10.164 12.569 1.00 0.00 N ATOM 495 CA ILE A 31 -5.734 -9.890 11.319 1.00 0.00 C ATOM 496 C ILE A 31 -4.929 -8.962 10.378 1.00 0.00 C ATOM 497 O ILE A 31 -4.678 -9.316 9.226 1.00 0.00 O ATOM 498 CB ILE A 31 -7.139 -9.272 11.674 1.00 0.00 C ATOM 499 CG1 ILE A 31 -7.978 -10.297 12.515 1.00 0.00 C ATOM 500 CG2 ILE A 31 -7.921 -8.811 10.418 1.00 0.00 C ATOM 501 CD1 ILE A 31 -9.135 -9.691 13.283 1.00 0.00 C ATOM 0 H ILE A 31 -5.390 -9.683 13.380 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.880 -10.826 10.779 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.963 -8.378 12.272 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.367 -11.064 11.845 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.314 -10.797 13.220 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.881 -8.393 10.720 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.345 -8.051 9.889 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.087 -9.664 9.760 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.656 -10.474 13.834 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.757 -8.946 13.983 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.826 -9.217 12.586 1.00 0.00 H new ATOM 513 N VAL A 32 -4.469 -7.822 10.911 1.00 0.00 N ATOM 514 CA VAL A 32 -3.829 -6.751 10.112 1.00 0.00 C ATOM 515 C VAL A 32 -2.435 -7.179 9.597 1.00 0.00 C ATOM 516 O VAL A 32 -2.089 -6.946 8.432 1.00 0.00 O ATOM 517 CB VAL A 32 -3.730 -5.419 10.941 1.00 0.00 C ATOM 518 CG1 VAL A 32 -3.025 -4.304 10.138 1.00 0.00 C ATOM 519 CG2 VAL A 32 -5.131 -4.950 11.402 1.00 0.00 C ATOM 0 H VAL A 32 -4.527 -7.610 11.907 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.460 -6.570 9.242 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.127 -5.628 11.824 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.974 -3.398 10.741 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.016 -4.625 9.879 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.587 -4.102 9.226 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.036 -4.027 11.974 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.761 -4.774 10.530 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.584 -5.719 12.028 1.00 0.00 H new ATOM 529 N LEU A 33 -1.664 -7.844 10.474 1.00 0.00 N ATOM 530 CA LEU A 33 -0.330 -8.398 10.140 1.00 0.00 C ATOM 531 C LEU A 33 -0.421 -9.541 9.098 1.00 0.00 C ATOM 532 O LEU A 33 0.598 -9.972 8.561 1.00 0.00 O ATOM 533 CB LEU A 33 0.402 -8.875 11.439 1.00 0.00 C ATOM 534 CG LEU A 33 1.205 -7.790 12.235 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.376 -7.249 11.390 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.304 -6.644 12.746 1.00 0.00 C ATOM 0 H LEU A 33 -1.945 -8.016 11.439 1.00 0.00 H new ATOM 0 HA LEU A 33 0.256 -7.600 9.684 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.341 -9.307 12.109 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.090 -9.676 11.167 1.00 0.00 H new ATOM 0 HG LEU A 33 1.615 -8.278 13.119 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.920 -6.497 11.961 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.049 -8.068 11.134 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.988 -6.799 10.476 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.910 -5.920 13.290 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.175 -6.153 11.899 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.460 -7.050 13.409 1.00 0.00 H new ATOM 548 N HIS A 34 -1.646 -10.043 8.851 1.00 0.00 N ATOM 549 CA HIS A 34 -1.941 -11.050 7.807 1.00 0.00 C ATOM 550 C HIS A 34 -2.709 -10.419 6.621 1.00 0.00 C ATOM 551 O HIS A 34 -3.431 -11.115 5.890 1.00 0.00 O ATOM 552 CB HIS A 34 -2.721 -12.221 8.452 1.00 0.00 C ATOM 553 CG HIS A 34 -1.865 -13.050 9.369 1.00 0.00 C ATOM 554 ND1 HIS A 34 -1.217 -12.518 10.464 1.00 0.00 N ATOM 555 CD2 HIS A 34 -1.490 -14.345 9.311 1.00 0.00 C ATOM 556 CE1 HIS A 34 -0.479 -13.442 11.029 1.00 0.00 C ATOM 557 NE2 HIS A 34 -0.624 -14.564 10.355 1.00 0.00 N ATOM 0 H HIS A 34 -2.472 -9.758 9.377 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.009 -11.436 7.393 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.568 -11.824 9.012 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.128 -12.858 7.667 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.811 -15.073 8.581 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.144 -13.306 11.901 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -0.168 -15.450 10.572 1.00 0.00 H new ATOM 566 N GLY A 35 -2.532 -9.091 6.445 1.00 0.00 N ATOM 567 CA GLY A 35 -3.108 -8.344 5.312 1.00 0.00 C ATOM 568 C GLY A 35 -4.626 -8.223 5.361 1.00 0.00 C ATOM 569 O GLY A 35 -5.262 -7.873 4.361 1.00 0.00 O ATOM 0 H GLY A 35 -1.987 -8.511 7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.674 -7.344 5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.822 -8.836 4.382 1.00 0.00 H new ATOM 573 N GLY A 36 -5.196 -8.504 6.535 1.00 0.00 N ATOM 574 CA GLY A 36 -6.636 -8.557 6.721 1.00 0.00 C ATOM 575 C GLY A 36 -7.228 -7.247 7.187 1.00 0.00 C ATOM 576 O GLY A 36 -6.523 -6.394 7.746 1.00 0.00 O ATOM 0 H GLY A 36 -4.664 -8.701 7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.106 -8.846 5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.873 -9.334 7.448 1.00 0.00 H new ATOM 580 N LYS A 37 -8.545 -7.112 7.001 1.00 0.00 N ATOM 581 CA LYS A 37 -9.293 -5.888 7.325 1.00 0.00 C ATOM 582 C LYS A 37 -10.136 -6.111 8.591 1.00 0.00 C ATOM 583 O LYS A 37 -10.584 -7.232 8.854 1.00 0.00 O ATOM 584 CB LYS A 37 -10.184 -5.504 6.105 1.00 0.00 C ATOM 585 CG LYS A 37 -11.061 -4.243 6.282 1.00 0.00 C ATOM 586 CD LYS A 37 -10.253 -2.954 6.560 1.00 0.00 C ATOM 587 CE LYS A 37 -9.324 -2.556 5.400 1.00 0.00 C ATOM 588 NZ LYS A 37 -8.691 -1.233 5.636 1.00 0.00 N ATOM 0 H LYS A 37 -9.129 -7.855 6.618 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.606 -5.066 7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.538 -5.355 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.835 -6.347 5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.659 -4.099 5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.757 -4.409 7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.945 -2.136 6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.657 -3.094 7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.550 -3.314 5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.893 -2.527 4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.072 -0.997 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.429 -0.507 5.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.128 -1.268 6.510 1.00 0.00 H new ATOM 602 N PHE A 38 -10.343 -5.039 9.378 1.00 0.00 N ATOM 603 CA PHE A 38 -11.162 -5.086 10.600 1.00 0.00 C ATOM 604 C PHE A 38 -12.166 -3.927 10.626 1.00 0.00 C ATOM 605 O PHE A 38 -11.918 -2.855 10.059 1.00 0.00 O ATOM 606 CB PHE A 38 -10.263 -5.080 11.874 1.00 0.00 C ATOM 607 CG PHE A 38 -9.553 -3.754 12.186 1.00 0.00 C ATOM 608 CD1 PHE A 38 -8.370 -3.404 11.542 1.00 0.00 C ATOM 609 CD2 PHE A 38 -10.071 -2.860 13.133 1.00 0.00 C ATOM 610 CE1 PHE A 38 -7.729 -2.211 11.823 1.00 0.00 C ATOM 611 CE2 PHE A 38 -9.430 -1.666 13.411 1.00 0.00 C ATOM 612 CZ PHE A 38 -8.258 -1.341 12.757 1.00 0.00 C ATOM 0 H PHE A 38 -9.948 -4.119 9.184 1.00 0.00 H new ATOM 0 HA PHE A 38 -11.726 -6.019 10.596 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -10.879 -5.351 12.731 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.507 -5.858 11.766 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.945 -4.075 10.810 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.984 -3.107 13.654 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.812 -1.959 11.311 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.847 -0.987 14.140 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.756 -0.410 12.975 1.00 0.00 H new ATOM 622 N LEU A 39 -13.302 -4.172 11.296 1.00 0.00 N ATOM 623 CA LEU A 39 -14.351 -3.185 11.541 1.00 0.00 C ATOM 624 C LEU A 39 -14.453 -2.928 13.057 1.00 0.00 C ATOM 625 O LEU A 39 -14.390 -3.869 13.862 1.00 0.00 O ATOM 626 CB LEU A 39 -15.700 -3.678 10.958 1.00 0.00 C ATOM 627 CG LEU A 39 -16.896 -2.682 11.065 1.00 0.00 C ATOM 628 CD1 LEU A 39 -16.578 -1.329 10.387 1.00 0.00 C ATOM 629 CD2 LEU A 39 -18.184 -3.298 10.489 1.00 0.00 C ATOM 0 H LEU A 39 -13.517 -5.088 11.691 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.103 -2.248 11.042 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.551 -3.924 9.907 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.976 -4.602 11.465 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.059 -2.485 12.125 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.436 -0.663 10.483 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -15.711 -0.876 10.868 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.363 -1.493 9.331 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -19.001 -2.582 10.577 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -18.031 -3.546 9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -18.434 -4.203 11.043 1.00 0.00 H new ATOM 641 N HIS A 40 -14.597 -1.641 13.418 1.00 0.00 N ATOM 642 CA HIS A 40 -14.582 -1.164 14.820 1.00 0.00 C ATOM 643 C HIS A 40 -15.935 -1.365 15.541 1.00 0.00 C ATOM 644 O HIS A 40 -15.973 -1.692 16.733 1.00 0.00 O ATOM 645 CB HIS A 40 -14.156 0.337 14.863 1.00 0.00 C ATOM 646 CG HIS A 40 -15.072 1.342 14.167 1.00 0.00 C ATOM 647 ND1 HIS A 40 -16.038 1.211 13.201 1.00 0.00 N flip ATOM 648 CD2 HIS A 40 -15.000 2.695 14.429 1.00 0.00 C flip ATOM 649 CE1 HIS A 40 -16.493 2.476 12.910 1.00 0.00 C flip ATOM 650 NE2 HIS A 40 -15.853 3.347 13.665 1.00 0.00 N flip ATOM 0 H HIS A 40 -14.729 -0.891 12.740 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.854 -1.770 15.359 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.063 0.632 15.908 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.164 0.420 14.419 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -14.342 3.152 15.153 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -17.252 2.717 12.181 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -15.995 4.357 13.659 1.00 0.00 H new ATOM 659 N TYR A 41 -17.028 -1.199 14.783 1.00 0.00 N ATOM 660 CA TYR A 41 -18.405 -1.119 15.306 1.00 0.00 C ATOM 661 C TYR A 41 -19.379 -1.152 14.116 1.00 0.00 C ATOM 662 O TYR A 41 -18.962 -0.941 12.976 1.00 0.00 O ATOM 663 CB TYR A 41 -18.590 0.181 16.155 1.00 0.00 C ATOM 664 CG TYR A 41 -19.949 0.280 16.877 1.00 0.00 C ATOM 665 CD1 TYR A 41 -20.246 -0.563 17.952 1.00 0.00 C ATOM 666 CD2 TYR A 41 -20.933 1.195 16.477 1.00 0.00 C ATOM 667 CE1 TYR A 41 -21.465 -0.495 18.599 1.00 0.00 C ATOM 668 CE2 TYR A 41 -22.151 1.262 17.126 1.00 0.00 C ATOM 669 CZ TYR A 41 -22.410 0.416 18.183 1.00 0.00 C ATOM 670 OH TYR A 41 -23.627 0.479 18.827 1.00 0.00 O ATOM 0 H TYR A 41 -16.982 -1.115 13.768 1.00 0.00 H new ATOM 0 HA TYR A 41 -18.609 -1.966 15.962 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -17.793 0.233 16.897 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.475 1.046 15.502 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -19.509 -1.280 18.283 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -20.736 1.858 15.648 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -21.676 -1.154 19.428 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -22.897 1.974 16.806 1.00 0.00 H new ATOM 0 HH TYR A 41 -24.180 1.174 18.413 1.00 0.00 H new ATOM 743 N LYS A 46 -23.353 -3.258 5.676 1.00 0.00 N ATOM 744 CA LYS A 46 -22.735 -4.598 5.731 1.00 0.00 C ATOM 745 C LYS A 46 -21.290 -4.525 5.196 1.00 0.00 C ATOM 746 O LYS A 46 -20.991 -4.922 4.063 1.00 0.00 O ATOM 747 CB LYS A 46 -23.604 -5.634 4.959 1.00 0.00 C ATOM 748 CG LYS A 46 -25.057 -5.724 5.481 1.00 0.00 C ATOM 749 CD LYS A 46 -25.947 -6.705 4.683 1.00 0.00 C ATOM 750 CE LYS A 46 -27.410 -6.692 5.171 1.00 0.00 C ATOM 751 NZ LYS A 46 -28.288 -7.584 4.367 1.00 0.00 N ATOM 0 HA LYS A 46 -22.688 -4.938 6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -23.621 -5.368 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -23.137 -6.616 5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -25.039 -6.032 6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -25.507 -4.732 5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.916 -6.443 3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.544 -7.714 4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.444 -7.001 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.795 -5.673 5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -29.181 -7.094 4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.810 -7.831 3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -28.488 -8.451 4.905 1.00 0.00 H new ATOM 765 N THR A 47 -20.423 -3.930 6.030 1.00 0.00 N ATOM 766 CA THR A 47 -18.996 -3.737 5.751 1.00 0.00 C ATOM 767 C THR A 47 -18.218 -5.004 6.145 1.00 0.00 C ATOM 768 O THR A 47 -17.272 -5.418 5.461 1.00 0.00 O ATOM 769 CB THR A 47 -18.468 -2.499 6.560 1.00 0.00 C ATOM 770 OG1 THR A 47 -19.303 -1.358 6.286 1.00 0.00 O ATOM 771 CG2 THR A 47 -16.999 -2.147 6.232 1.00 0.00 C ATOM 0 H THR A 47 -20.704 -3.562 6.939 1.00 0.00 H new ATOM 0 HA THR A 47 -18.851 -3.552 4.687 1.00 0.00 H new ATOM 0 HB THR A 47 -18.507 -2.766 7.616 1.00 0.00 H new ATOM 0 HG1 THR A 47 -18.976 -0.585 6.791 1.00 0.00 H new ATOM 0 HG21 THR A 47 -16.691 -1.284 6.822 1.00 0.00 H new ATOM 0 HG22 THR A 47 -16.359 -2.996 6.471 1.00 0.00 H new ATOM 0 HG23 THR A 47 -16.909 -1.912 5.171 1.00 0.00 H new ATOM 779 N VAL A 48 -18.656 -5.619 7.258 1.00 0.00 N ATOM 780 CA VAL A 48 -18.017 -6.811 7.822 1.00 0.00 C ATOM 781 C VAL A 48 -18.656 -8.093 7.250 1.00 0.00 C ATOM 782 O VAL A 48 -19.824 -8.085 6.853 1.00 0.00 O ATOM 783 CB VAL A 48 -18.089 -6.791 9.397 1.00 0.00 C ATOM 784 CG1 VAL A 48 -19.520 -6.996 9.943 1.00 0.00 C ATOM 785 CG2 VAL A 48 -17.120 -7.802 10.016 1.00 0.00 C ATOM 0 H VAL A 48 -19.466 -5.299 7.790 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.965 -6.805 7.537 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.781 -5.789 9.697 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.501 -6.972 11.033 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -20.168 -6.201 9.574 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.902 -7.960 9.608 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -17.196 -7.761 11.103 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -17.372 -8.805 9.672 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -16.101 -7.561 9.715 1.00 0.00 H new ATOM 795 N THR A 49 -17.862 -9.172 7.162 1.00 0.00 N ATOM 796 CA THR A 49 -18.339 -10.503 6.736 1.00 0.00 C ATOM 797 C THR A 49 -18.223 -11.527 7.883 1.00 0.00 C ATOM 798 O THR A 49 -18.933 -12.537 7.896 1.00 0.00 O ATOM 799 CB THR A 49 -17.550 -10.999 5.478 1.00 0.00 C ATOM 800 OG1 THR A 49 -18.033 -12.284 5.052 1.00 0.00 O ATOM 801 CG2 THR A 49 -16.039 -11.078 5.739 1.00 0.00 C ATOM 0 H THR A 49 -16.867 -9.149 7.385 1.00 0.00 H new ATOM 0 HA THR A 49 -19.392 -10.410 6.469 1.00 0.00 H new ATOM 0 HB THR A 49 -17.718 -10.266 4.689 1.00 0.00 H new ATOM 0 HG1 THR A 49 -17.530 -12.578 4.264 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.532 -11.427 4.839 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.664 -10.090 6.007 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.847 -11.773 6.556 1.00 0.00 H new ATOM 809 N HIS A 50 -17.329 -11.246 8.855 1.00 0.00 N ATOM 810 CA HIS A 50 -17.022 -12.167 9.975 1.00 0.00 C ATOM 811 C HIS A 50 -17.014 -11.394 11.295 1.00 0.00 C ATOM 812 O HIS A 50 -16.289 -10.416 11.437 1.00 0.00 O ATOM 813 CB HIS A 50 -15.639 -12.868 9.780 1.00 0.00 C ATOM 814 CG HIS A 50 -15.598 -13.926 8.703 1.00 0.00 C ATOM 815 ND1 HIS A 50 -14.538 -14.083 7.830 1.00 0.00 N ATOM 816 CD2 HIS A 50 -16.471 -14.920 8.401 1.00 0.00 C ATOM 817 CE1 HIS A 50 -14.764 -15.123 7.043 1.00 0.00 C ATOM 818 NE2 HIS A 50 -15.929 -15.647 7.371 1.00 0.00 N ATOM 0 H HIS A 50 -16.799 -10.375 8.887 1.00 0.00 H new ATOM 0 HA HIS A 50 -17.795 -12.935 9.995 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.894 -12.107 9.547 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -15.345 -13.324 10.725 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -17.419 -15.105 8.883 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.106 -15.481 6.265 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -16.358 -16.461 6.930 1.00 0.00 H new ATOM 827 N ILE A 51 -17.795 -11.862 12.268 1.00 0.00 N ATOM 828 CA ILE A 51 -17.820 -11.287 13.626 1.00 0.00 C ATOM 829 C ILE A 51 -17.164 -12.291 14.581 1.00 0.00 C ATOM 830 O ILE A 51 -17.323 -13.481 14.413 1.00 0.00 O ATOM 831 CB ILE A 51 -19.284 -10.930 14.085 1.00 0.00 C ATOM 832 CG1 ILE A 51 -19.912 -9.844 13.141 1.00 0.00 C ATOM 833 CG2 ILE A 51 -19.332 -10.477 15.573 1.00 0.00 C ATOM 834 CD1 ILE A 51 -21.340 -9.440 13.491 1.00 0.00 C ATOM 0 H ILE A 51 -18.431 -12.650 12.144 1.00 0.00 H new ATOM 0 HA ILE A 51 -17.265 -10.349 13.633 1.00 0.00 H new ATOM 0 HB ILE A 51 -19.882 -11.838 14.009 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.282 -8.955 13.164 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -19.896 -10.219 12.118 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -20.360 -10.240 15.848 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -18.961 -11.280 16.210 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -18.708 -9.593 15.704 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -21.688 -8.686 12.785 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -21.989 -10.314 13.438 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -21.365 -9.030 14.501 1.00 0.00 H new ATOM 846 N VAL A 52 -16.365 -11.812 15.531 1.00 0.00 N ATOM 847 CA VAL A 52 -15.674 -12.667 16.507 1.00 0.00 C ATOM 848 C VAL A 52 -16.273 -12.453 17.893 1.00 0.00 C ATOM 849 O VAL A 52 -16.282 -11.340 18.402 1.00 0.00 O ATOM 850 CB VAL A 52 -14.141 -12.358 16.508 1.00 0.00 C ATOM 851 CG1 VAL A 52 -13.386 -13.061 17.659 1.00 0.00 C ATOM 852 CG2 VAL A 52 -13.540 -12.728 15.143 1.00 0.00 C ATOM 0 H VAL A 52 -16.174 -10.817 15.650 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.807 -13.712 16.228 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.020 -11.289 16.681 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.327 -12.808 17.607 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -13.791 -12.731 18.615 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.507 -14.140 17.567 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.472 -12.512 15.145 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.695 -13.790 14.953 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.026 -12.145 14.361 1.00 0.00 H new ATOM 862 N ALA A 53 -16.767 -13.534 18.491 1.00 0.00 N ATOM 863 CA ALA A 53 -17.350 -13.518 19.833 1.00 0.00 C ATOM 864 C ALA A 53 -17.126 -14.876 20.506 1.00 0.00 C ATOM 865 O ALA A 53 -16.653 -15.828 19.872 1.00 0.00 O ATOM 866 CB ALA A 53 -18.848 -13.174 19.752 1.00 0.00 C ATOM 0 H ALA A 53 -16.775 -14.456 18.054 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.863 -12.752 20.436 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.274 -13.164 20.755 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -18.972 -12.192 19.296 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -19.361 -13.922 19.147 1.00 0.00 H new ATOM 872 N SER A 54 -17.432 -14.947 21.801 1.00 0.00 N ATOM 873 CA SER A 54 -17.511 -16.219 22.537 1.00 0.00 C ATOM 874 C SER A 54 -18.991 -16.497 22.846 1.00 0.00 C ATOM 875 O SER A 54 -19.516 -17.581 22.574 1.00 0.00 O ATOM 876 CB SER A 54 -16.677 -16.142 23.835 1.00 0.00 C ATOM 877 OG SER A 54 -16.663 -17.379 24.526 1.00 0.00 O ATOM 0 H SER A 54 -17.633 -14.127 22.374 1.00 0.00 H new ATOM 0 HA SER A 54 -17.102 -17.032 21.937 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.655 -15.849 23.594 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.086 -15.368 24.484 1.00 0.00 H new ATOM 0 HG SER A 54 -16.125 -17.293 25.340 1.00 0.00 H new ATOM 883 N ASN A 55 -19.667 -15.459 23.373 1.00 0.00 N ATOM 884 CA ASN A 55 -21.084 -15.512 23.772 1.00 0.00 C ATOM 885 C ASN A 55 -21.923 -14.723 22.752 1.00 0.00 C ATOM 886 O ASN A 55 -22.073 -13.499 22.877 1.00 0.00 O ATOM 887 CB ASN A 55 -21.272 -14.908 25.201 1.00 0.00 C ATOM 888 CG ASN A 55 -20.335 -15.508 26.256 1.00 0.00 C ATOM 889 OD1 ASN A 55 -19.213 -15.034 26.440 1.00 0.00 O ATOM 890 ND2 ASN A 55 -20.788 -16.534 26.965 1.00 0.00 N ATOM 0 H ASN A 55 -19.238 -14.548 23.535 1.00 0.00 H new ATOM 0 HA ASN A 55 -21.413 -16.551 23.794 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -21.109 -13.831 25.154 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -22.304 -15.061 25.517 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -20.202 -16.953 27.687 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -21.722 -16.903 26.788 1.00 0.00 H new ATOM 897 N LEU A 56 -22.428 -15.405 21.712 1.00 0.00 N ATOM 898 CA LEU A 56 -23.307 -14.785 20.696 1.00 0.00 C ATOM 899 C LEU A 56 -24.723 -15.397 20.844 1.00 0.00 C ATOM 900 O LEU A 56 -24.919 -16.568 20.497 1.00 0.00 O ATOM 901 CB LEU A 56 -22.717 -14.971 19.251 1.00 0.00 C ATOM 902 CG LEU A 56 -23.021 -13.837 18.206 1.00 0.00 C ATOM 903 CD1 LEU A 56 -24.511 -13.717 17.873 1.00 0.00 C ATOM 904 CD2 LEU A 56 -22.437 -12.478 18.661 1.00 0.00 C ATOM 0 H LEU A 56 -22.243 -16.395 21.548 1.00 0.00 H new ATOM 0 HA LEU A 56 -23.371 -13.708 20.854 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.635 -15.072 19.337 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.094 -15.912 18.850 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.520 -14.130 17.283 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.658 -12.918 17.147 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -24.867 -14.658 17.454 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -25.070 -13.490 18.781 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -22.665 -11.716 17.916 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.878 -12.194 19.617 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -21.356 -12.565 18.772 1.00 0.00 H new ATOM 916 N PRO A 57 -25.717 -14.609 21.396 1.00 0.00 N ATOM 917 CA PRO A 57 -27.116 -15.067 21.601 1.00 0.00 C ATOM 918 C PRO A 57 -27.785 -15.609 20.328 1.00 0.00 C ATOM 919 O PRO A 57 -27.502 -15.122 19.235 1.00 0.00 O ATOM 920 CB PRO A 57 -27.851 -13.796 22.101 1.00 0.00 C ATOM 921 CG PRO A 57 -26.775 -12.967 22.726 1.00 0.00 C ATOM 922 CD PRO A 57 -25.535 -13.219 21.899 1.00 0.00 C ATOM 0 HA PRO A 57 -27.151 -15.905 22.297 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -28.334 -13.267 21.279 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -28.630 -14.045 22.821 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -27.042 -11.910 22.721 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -26.616 -13.250 23.766 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -25.449 -12.505 21.079 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -24.629 -13.126 22.498 1.00 0.00 H new ATOM 930 N LEU A 58 -28.687 -16.597 20.502 1.00 0.00 N ATOM 931 CA LEU A 58 -29.443 -17.225 19.395 1.00 0.00 C ATOM 932 C LEU A 58 -30.223 -16.160 18.595 1.00 0.00 C ATOM 933 O LEU A 58 -30.290 -16.220 17.361 1.00 0.00 O ATOM 934 CB LEU A 58 -30.413 -18.296 19.954 1.00 0.00 C ATOM 935 CG LEU A 58 -29.774 -19.373 20.887 1.00 0.00 C ATOM 936 CD1 LEU A 58 -30.852 -20.276 21.521 1.00 0.00 C ATOM 937 CD2 LEU A 58 -28.704 -20.207 20.147 1.00 0.00 C ATOM 0 H LEU A 58 -28.913 -16.984 21.418 1.00 0.00 H new ATOM 0 HA LEU A 58 -28.735 -17.708 18.721 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -31.205 -17.789 20.505 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -30.885 -18.805 19.114 1.00 0.00 H new ATOM 0 HG LEU A 58 -29.269 -18.844 21.695 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -30.375 -21.015 22.165 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -31.535 -19.667 22.113 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -31.409 -20.785 20.734 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -28.282 -20.945 20.829 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -29.162 -20.716 19.299 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -27.912 -19.549 19.790 1.00 0.00 H new ATOM 949 N LYS A 59 -30.768 -15.172 19.340 1.00 0.00 N ATOM 950 CA LYS A 59 -31.423 -13.973 18.779 1.00 0.00 C ATOM 951 C LYS A 59 -30.513 -13.282 17.748 1.00 0.00 C ATOM 952 O LYS A 59 -30.887 -13.114 16.583 1.00 0.00 O ATOM 953 CB LYS A 59 -31.758 -12.970 19.929 1.00 0.00 C ATOM 954 CG LYS A 59 -32.995 -13.338 20.780 1.00 0.00 C ATOM 955 CD LYS A 59 -34.345 -13.061 20.058 1.00 0.00 C ATOM 956 CE LYS A 59 -34.759 -11.564 20.059 1.00 0.00 C ATOM 957 NZ LYS A 59 -33.803 -10.666 19.353 1.00 0.00 N ATOM 0 H LYS A 59 -30.764 -15.187 20.360 1.00 0.00 H new ATOM 0 HA LYS A 59 -32.340 -14.285 18.280 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -30.893 -12.894 20.588 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -31.916 -11.983 19.495 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -32.943 -14.394 21.046 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -32.967 -12.773 21.712 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -34.273 -13.408 19.027 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -35.130 -13.646 20.537 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -35.740 -11.470 19.594 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -34.862 -11.228 21.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -34.304 -9.816 19.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -33.041 -10.389 20.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -33.396 -11.165 18.537 1.00 0.00 H new ATOM 971 N LYS A 60 -29.288 -12.946 18.182 1.00 0.00 N ATOM 972 CA LYS A 60 -28.336 -12.203 17.349 1.00 0.00 C ATOM 973 C LYS A 60 -27.604 -13.121 16.351 1.00 0.00 C ATOM 974 O LYS A 60 -26.898 -12.625 15.489 1.00 0.00 O ATOM 975 CB LYS A 60 -27.328 -11.408 18.220 1.00 0.00 C ATOM 976 CG LYS A 60 -27.968 -10.360 19.172 1.00 0.00 C ATOM 977 CD LYS A 60 -26.961 -9.279 19.655 1.00 0.00 C ATOM 978 CE LYS A 60 -25.711 -9.863 20.338 1.00 0.00 C ATOM 979 NZ LYS A 60 -24.771 -8.804 20.785 1.00 0.00 N ATOM 0 H LYS A 60 -28.935 -13.180 19.110 1.00 0.00 H new ATOM 0 HA LYS A 60 -28.914 -11.487 16.764 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -26.750 -12.114 18.817 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -26.625 -10.897 17.562 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -28.798 -9.872 18.660 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -28.385 -10.872 20.039 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -26.650 -8.676 18.801 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -27.466 -8.609 20.351 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -26.014 -10.463 21.196 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -25.200 -10.532 19.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -23.944 -9.243 21.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -24.460 -8.247 19.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -25.249 -8.180 21.466 1.00 0.00 H new ATOM 993 N ARG A 61 -27.741 -14.458 16.486 1.00 0.00 N ATOM 994 CA ARG A 61 -27.250 -15.398 15.447 1.00 0.00 C ATOM 995 C ARG A 61 -28.157 -15.330 14.211 1.00 0.00 C ATOM 996 O ARG A 61 -27.698 -15.563 13.095 1.00 0.00 O ATOM 997 CB ARG A 61 -27.153 -16.868 15.946 1.00 0.00 C ATOM 998 CG ARG A 61 -26.167 -17.105 17.111 1.00 0.00 C ATOM 999 CD ARG A 61 -25.799 -18.592 17.283 1.00 0.00 C ATOM 1000 NE ARG A 61 -26.980 -19.490 17.284 1.00 0.00 N ATOM 1001 CZ ARG A 61 -27.016 -20.722 16.734 1.00 0.00 C ATOM 1002 NH1 ARG A 61 -25.955 -21.222 16.114 1.00 0.00 N ATOM 1003 NH2 ARG A 61 -28.114 -21.456 16.817 1.00 0.00 N ATOM 0 H ARG A 61 -28.180 -14.908 17.289 1.00 0.00 H new ATOM 0 HA ARG A 61 -26.238 -15.083 15.194 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -28.145 -17.194 16.259 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -26.859 -17.500 15.108 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -25.259 -16.528 16.937 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -26.608 -16.734 18.036 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -25.126 -18.888 16.479 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -25.253 -18.719 18.218 1.00 0.00 H new ATOM 0 HE ARG A 61 -27.830 -19.150 17.735 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -25.097 -20.674 16.048 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -25.997 -22.155 15.703 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -28.936 -21.091 17.298 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -28.138 -22.387 16.400 1.00 0.00 H new ATOM 1017 N ILE A 62 -29.454 -15.039 14.435 1.00 0.00 N ATOM 1018 CA ILE A 62 -30.428 -14.831 13.342 1.00 0.00 C ATOM 1019 C ILE A 62 -30.291 -13.397 12.780 1.00 0.00 C ATOM 1020 O ILE A 62 -30.359 -13.181 11.564 1.00 0.00 O ATOM 1021 CB ILE A 62 -31.912 -15.074 13.817 1.00 0.00 C ATOM 1022 CG1 ILE A 62 -32.024 -16.404 14.635 1.00 0.00 C ATOM 1023 CG2 ILE A 62 -32.885 -15.096 12.604 1.00 0.00 C ATOM 1024 CD1 ILE A 62 -33.350 -16.601 15.361 1.00 0.00 C ATOM 0 H ILE A 62 -29.854 -14.942 15.368 1.00 0.00 H new ATOM 0 HA ILE A 62 -30.205 -15.560 12.563 1.00 0.00 H new ATOM 0 HB ILE A 62 -32.196 -14.247 14.468 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -31.869 -17.244 13.958 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -31.218 -16.432 15.368 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -33.902 -15.265 12.957 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -32.836 -14.141 12.081 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -32.599 -15.898 11.923 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -33.333 -17.549 15.899 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -33.503 -15.785 16.068 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -34.164 -16.610 14.636 1.00 0.00 H new ATOM 1036 N GLU A 63 -30.102 -12.424 13.691 1.00 0.00 N ATOM 1037 CA GLU A 63 -29.951 -10.993 13.335 1.00 0.00 C ATOM 1038 C GLU A 63 -28.634 -10.746 12.565 1.00 0.00 C ATOM 1039 O GLU A 63 -28.597 -9.945 11.626 1.00 0.00 O ATOM 1040 CB GLU A 63 -30.034 -10.106 14.613 1.00 0.00 C ATOM 1041 CG GLU A 63 -31.406 -10.162 15.322 1.00 0.00 C ATOM 1042 CD GLU A 63 -31.470 -9.343 16.628 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -31.641 -8.102 16.555 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -31.370 -9.931 17.732 1.00 0.00 O ATOM 0 H GLU A 63 -30.049 -12.603 14.694 1.00 0.00 H new ATOM 0 HA GLU A 63 -30.771 -10.715 12.673 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -29.260 -10.421 15.313 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -29.817 -9.073 14.342 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -32.172 -9.797 14.638 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -31.647 -11.202 15.545 1.00 0.00 H new ATOM 1051 N PHE A 64 -27.567 -11.463 12.959 1.00 0.00 N ATOM 1052 CA PHE A 64 -26.246 -11.411 12.292 1.00 0.00 C ATOM 1053 C PHE A 64 -26.022 -12.677 11.442 1.00 0.00 C ATOM 1054 O PHE A 64 -24.881 -13.066 11.206 1.00 0.00 O ATOM 1055 CB PHE A 64 -25.090 -11.248 13.333 1.00 0.00 C ATOM 1056 CG PHE A 64 -25.157 -9.988 14.201 1.00 0.00 C ATOM 1057 CD1 PHE A 64 -25.491 -8.752 13.649 1.00 0.00 C ATOM 1058 CD2 PHE A 64 -24.866 -10.037 15.566 1.00 0.00 C ATOM 1059 CE1 PHE A 64 -25.537 -7.610 14.430 1.00 0.00 C ATOM 1060 CE2 PHE A 64 -24.913 -8.893 16.346 1.00 0.00 C ATOM 1061 CZ PHE A 64 -25.251 -7.681 15.777 1.00 0.00 C ATOM 0 H PHE A 64 -27.593 -12.101 13.755 1.00 0.00 H new ATOM 0 HA PHE A 64 -26.237 -10.539 11.638 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -25.089 -12.119 13.988 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -24.140 -11.250 12.798 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -25.717 -8.684 12.595 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -24.601 -10.980 16.020 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -25.797 -6.662 13.983 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -24.685 -8.949 17.400 1.00 0.00 H new ATOM 0 HZ PHE A 64 -25.291 -6.790 16.386 1.00 0.00 H new ATOM 1071 N ALA A 65 -27.122 -13.311 10.972 1.00 0.00 N ATOM 1072 CA ALA A 65 -27.049 -14.477 10.049 1.00 0.00 C ATOM 1073 C ALA A 65 -26.519 -14.060 8.663 1.00 0.00 C ATOM 1074 O ALA A 65 -25.997 -14.892 7.911 1.00 0.00 O ATOM 1075 CB ALA A 65 -28.428 -15.142 9.911 1.00 0.00 C ATOM 0 H ALA A 65 -28.074 -13.037 11.215 1.00 0.00 H new ATOM 0 HA ALA A 65 -26.351 -15.197 10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -28.356 -15.992 9.233 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -28.766 -15.486 10.889 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -29.142 -14.420 9.513 1.00 0.00 H new ATOM 1081 N ASN A 66 -26.685 -12.761 8.336 1.00 0.00 N ATOM 1082 CA ASN A 66 -26.155 -12.164 7.091 1.00 0.00 C ATOM 1083 C ASN A 66 -24.619 -12.068 7.164 1.00 0.00 C ATOM 1084 O ASN A 66 -23.925 -12.131 6.140 1.00 0.00 O ATOM 1085 CB ASN A 66 -26.782 -10.762 6.861 1.00 0.00 C ATOM 1086 CG ASN A 66 -28.294 -10.770 6.541 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -28.779 -9.900 5.821 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -29.061 -11.730 7.069 1.00 0.00 N ATOM 0 H ASN A 66 -27.189 -12.098 8.925 1.00 0.00 H new ATOM 0 HA ASN A 66 -26.422 -12.802 6.249 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -26.617 -10.156 7.752 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -26.255 -10.274 6.041 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -30.062 -11.747 6.876 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -28.645 -12.446 7.665 1.00 0.00 H new ATOM 1095 N TYR A 67 -24.109 -11.942 8.401 1.00 0.00 N ATOM 1096 CA TYR A 67 -22.675 -12.046 8.713 1.00 0.00 C ATOM 1097 C TYR A 67 -22.380 -13.490 9.157 1.00 0.00 C ATOM 1098 O TYR A 67 -23.304 -14.305 9.282 1.00 0.00 O ATOM 1099 CB TYR A 67 -22.295 -11.049 9.846 1.00 0.00 C ATOM 1100 CG TYR A 67 -22.739 -9.599 9.598 1.00 0.00 C ATOM 1101 CD1 TYR A 67 -22.396 -8.929 8.423 1.00 0.00 C ATOM 1102 CD2 TYR A 67 -23.488 -8.895 10.546 1.00 0.00 C ATOM 1103 CE1 TYR A 67 -22.779 -7.621 8.205 1.00 0.00 C ATOM 1104 CE2 TYR A 67 -23.873 -7.586 10.327 1.00 0.00 C ATOM 1105 CZ TYR A 67 -23.516 -6.955 9.158 1.00 0.00 C ATOM 1106 OH TYR A 67 -23.901 -5.649 8.942 1.00 0.00 O ATOM 0 H TYR A 67 -24.688 -11.763 9.221 1.00 0.00 H new ATOM 0 HA TYR A 67 -22.084 -11.797 7.831 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -22.737 -11.396 10.780 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -21.213 -11.066 9.979 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.819 -9.444 7.669 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -23.771 -9.384 11.467 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.501 -7.121 7.289 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -24.452 -7.060 11.071 1.00 0.00 H new ATOM 0 HH TYR A 67 -24.416 -5.328 9.712 1.00 0.00 H new ATOM 1116 N LYS A 68 -21.103 -13.819 9.384 1.00 0.00 N ATOM 1117 CA LYS A 68 -20.697 -15.154 9.868 1.00 0.00 C ATOM 1118 C LYS A 68 -19.837 -15.007 11.118 1.00 0.00 C ATOM 1119 O LYS A 68 -18.636 -14.714 11.035 1.00 0.00 O ATOM 1120 CB LYS A 68 -19.973 -15.961 8.753 1.00 0.00 C ATOM 1121 CG LYS A 68 -20.862 -16.239 7.521 1.00 0.00 C ATOM 1122 CD LYS A 68 -22.162 -17.020 7.877 1.00 0.00 C ATOM 1123 CE LYS A 68 -23.224 -16.922 6.772 1.00 0.00 C ATOM 1124 NZ LYS A 68 -23.615 -15.507 6.513 1.00 0.00 N ATOM 0 H LYS A 68 -20.324 -13.177 9.240 1.00 0.00 H new ATOM 0 HA LYS A 68 -21.588 -15.723 10.133 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -19.086 -15.413 8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -19.630 -16.910 9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -21.130 -15.293 7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -20.291 -16.809 6.788 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -21.917 -18.068 8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -22.573 -16.631 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -22.838 -17.368 5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -24.104 -17.497 7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -24.617 -15.374 6.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -23.031 -14.873 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -23.470 -15.285 5.507 1.00 0.00 H new ATOM 1138 N VAL A 69 -20.488 -15.151 12.283 1.00 0.00 N ATOM 1139 CA VAL A 69 -19.815 -15.079 13.576 1.00 0.00 C ATOM 1140 C VAL A 69 -19.046 -16.389 13.833 1.00 0.00 C ATOM 1141 O VAL A 69 -19.597 -17.476 13.655 1.00 0.00 O ATOM 1142 CB VAL A 69 -20.809 -14.807 14.770 1.00 0.00 C ATOM 1143 CG1 VAL A 69 -20.027 -14.504 16.074 1.00 0.00 C ATOM 1144 CG2 VAL A 69 -21.809 -13.666 14.437 1.00 0.00 C ATOM 0 H VAL A 69 -21.492 -15.320 12.348 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.127 -14.235 13.532 1.00 0.00 H new ATOM 0 HB VAL A 69 -21.396 -15.712 14.926 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -20.731 -14.319 16.886 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.397 -15.357 16.327 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.403 -13.623 15.927 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -22.477 -13.509 15.284 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -21.258 -12.748 14.234 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -22.395 -13.940 13.559 1.00 0.00 H new ATOM 1154 N VAL A 70 -17.766 -16.259 14.200 1.00 0.00 N ATOM 1155 CA VAL A 70 -16.888 -17.365 14.607 1.00 0.00 C ATOM 1156 C VAL A 70 -16.337 -17.085 16.024 1.00 0.00 C ATOM 1157 O VAL A 70 -16.625 -16.037 16.620 1.00 0.00 O ATOM 1158 CB VAL A 70 -15.690 -17.549 13.590 1.00 0.00 C ATOM 1159 CG1 VAL A 70 -16.192 -17.935 12.176 1.00 0.00 C ATOM 1160 CG2 VAL A 70 -14.800 -16.279 13.538 1.00 0.00 C ATOM 0 H VAL A 70 -17.297 -15.354 14.223 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.470 -18.287 14.611 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.079 -18.374 13.955 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.340 -18.052 11.507 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.743 -18.874 12.229 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -16.847 -17.151 11.796 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -13.985 -16.435 12.831 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.400 -15.427 13.218 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.389 -16.082 14.528 1.00 0.00 H new ATOM 1170 N SER A 71 -15.568 -18.041 16.556 1.00 0.00 N ATOM 1171 CA SER A 71 -14.824 -17.877 17.815 1.00 0.00 C ATOM 1172 C SER A 71 -13.447 -17.215 17.543 1.00 0.00 C ATOM 1173 O SER A 71 -12.935 -17.315 16.416 1.00 0.00 O ATOM 1174 CB SER A 71 -14.646 -19.264 18.480 1.00 0.00 C ATOM 1175 OG SER A 71 -15.900 -19.854 18.787 1.00 0.00 O ATOM 0 H SER A 71 -15.442 -18.957 16.125 1.00 0.00 H new ATOM 0 HA SER A 71 -15.381 -17.226 18.489 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.087 -19.920 17.813 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.058 -19.160 19.392 1.00 0.00 H new ATOM 0 HG SER A 71 -15.756 -20.729 19.204 1.00 0.00 H new ATOM 1181 N PRO A 72 -12.813 -16.535 18.569 1.00 0.00 N ATOM 1182 CA PRO A 72 -11.436 -15.965 18.443 1.00 0.00 C ATOM 1183 C PRO A 72 -10.394 -17.029 18.051 1.00 0.00 C ATOM 1184 O PRO A 72 -9.401 -16.724 17.395 1.00 0.00 O ATOM 1185 CB PRO A 72 -11.144 -15.396 19.864 1.00 0.00 C ATOM 1186 CG PRO A 72 -12.146 -16.057 20.757 1.00 0.00 C ATOM 1187 CD PRO A 72 -13.379 -16.235 19.913 1.00 0.00 C ATOM 0 HA PRO A 72 -11.376 -15.214 17.655 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.125 -15.622 20.178 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.251 -14.311 19.885 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.776 -17.016 21.120 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.355 -15.444 21.634 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.007 -17.048 20.279 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.996 -15.336 19.902 1.00 0.00 H new ATOM 1195 N ASP A 73 -10.690 -18.276 18.436 1.00 0.00 N ATOM 1196 CA ASP A 73 -9.827 -19.450 18.224 1.00 0.00 C ATOM 1197 C ASP A 73 -9.583 -19.724 16.724 1.00 0.00 C ATOM 1198 O ASP A 73 -8.580 -20.344 16.373 1.00 0.00 O ATOM 1199 CB ASP A 73 -10.489 -20.679 18.892 1.00 0.00 C ATOM 1200 CG ASP A 73 -10.845 -20.425 20.370 1.00 0.00 C ATOM 1201 OD1 ASP A 73 -9.984 -20.633 21.246 1.00 0.00 O ATOM 1202 OD2 ASP A 73 -11.984 -19.977 20.654 1.00 0.00 O ATOM 0 H ASP A 73 -11.560 -18.505 18.917 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.854 -19.252 18.674 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.393 -20.944 18.344 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.814 -21.533 18.825 1.00 0.00 H new ATOM 1207 N TRP A 74 -10.511 -19.255 15.852 1.00 0.00 N ATOM 1208 CA TRP A 74 -10.329 -19.304 14.380 1.00 0.00 C ATOM 1209 C TRP A 74 -9.112 -18.462 13.981 1.00 0.00 C ATOM 1210 O TRP A 74 -8.229 -18.925 13.271 1.00 0.00 O ATOM 1211 CB TRP A 74 -11.597 -18.795 13.629 1.00 0.00 C ATOM 1212 CG TRP A 74 -11.484 -18.847 12.111 1.00 0.00 C ATOM 1213 CD1 TRP A 74 -11.222 -19.953 11.347 1.00 0.00 C ATOM 1214 CD2 TRP A 74 -11.627 -17.757 11.181 1.00 0.00 C ATOM 1215 NE1 TRP A 74 -11.193 -19.616 10.022 1.00 0.00 N ATOM 1216 CE2 TRP A 74 -11.436 -18.282 9.891 1.00 0.00 C ATOM 1217 CE3 TRP A 74 -11.890 -16.390 11.312 1.00 0.00 C ATOM 1218 CZ2 TRP A 74 -11.511 -17.494 8.743 1.00 0.00 C ATOM 1219 CZ3 TRP A 74 -11.967 -15.606 10.176 1.00 0.00 C ATOM 1220 CH2 TRP A 74 -11.774 -16.161 8.904 1.00 0.00 C ATOM 0 H TRP A 74 -11.395 -18.838 16.145 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.167 -20.343 14.094 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -12.454 -19.393 13.939 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -11.798 -17.768 13.933 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.061 -20.948 11.735 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.017 -20.262 9.253 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -12.031 -15.952 12.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -11.367 -17.921 7.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -12.179 -14.551 10.270 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.834 -15.524 8.034 1.00 0.00 H new ATOM 1231 N ILE A 75 -9.074 -17.242 14.524 1.00 0.00 N ATOM 1232 CA ILE A 75 -8.065 -16.226 14.192 1.00 0.00 C ATOM 1233 C ILE A 75 -6.705 -16.670 14.752 1.00 0.00 C ATOM 1234 O ILE A 75 -5.702 -16.692 14.033 1.00 0.00 O ATOM 1235 CB ILE A 75 -8.455 -14.789 14.750 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -9.787 -14.253 14.118 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -7.314 -13.767 14.534 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -11.049 -14.974 14.553 1.00 0.00 C ATOM 0 H ILE A 75 -9.752 -16.925 15.217 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.011 -16.138 13.107 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.615 -14.907 15.822 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.888 -13.197 14.367 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.707 -14.319 13.033 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.616 -12.796 14.927 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.418 -14.107 15.054 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.103 -13.677 13.468 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.912 -14.527 14.060 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.979 -16.027 14.279 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.164 -14.887 15.633 1.00 0.00 H new ATOM 1250 N VAL A 76 -6.736 -17.097 16.026 1.00 0.00 N ATOM 1251 CA VAL A 76 -5.548 -17.524 16.783 1.00 0.00 C ATOM 1252 C VAL A 76 -4.856 -18.711 16.100 1.00 0.00 C ATOM 1253 O VAL A 76 -3.679 -18.626 15.739 1.00 0.00 O ATOM 1254 CB VAL A 76 -5.959 -17.938 18.246 1.00 0.00 C ATOM 1255 CG1 VAL A 76 -4.761 -18.475 19.070 1.00 0.00 C ATOM 1256 CG2 VAL A 76 -6.638 -16.763 18.968 1.00 0.00 C ATOM 0 H VAL A 76 -7.599 -17.156 16.566 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.854 -16.684 16.817 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.672 -18.758 18.159 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.099 -18.746 20.070 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.345 -19.354 18.577 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.995 -17.703 19.143 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.915 -17.067 19.977 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.949 -15.920 19.019 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.532 -16.467 18.420 1.00 0.00 H new ATOM 1266 N ASP A 77 -5.636 -19.777 15.860 1.00 0.00 N ATOM 1267 CA ASP A 77 -5.100 -21.061 15.382 1.00 0.00 C ATOM 1268 C ASP A 77 -4.666 -20.956 13.912 1.00 0.00 C ATOM 1269 O ASP A 77 -3.660 -21.528 13.536 1.00 0.00 O ATOM 1270 CB ASP A 77 -6.119 -22.221 15.611 1.00 0.00 C ATOM 1271 CG ASP A 77 -5.471 -23.630 15.610 1.00 0.00 C ATOM 1272 OD1 ASP A 77 -4.484 -23.837 16.354 1.00 0.00 O ATOM 1273 OD2 ASP A 77 -5.962 -24.542 14.904 1.00 0.00 O ATOM 0 H ASP A 77 -6.648 -19.774 15.991 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.213 -21.300 15.968 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.626 -22.065 16.563 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.882 -22.181 14.834 1.00 0.00 H new ATOM 1278 N SER A 78 -5.416 -20.182 13.092 1.00 0.00 N ATOM 1279 CA SER A 78 -5.053 -19.943 11.671 1.00 0.00 C ATOM 1280 C SER A 78 -3.679 -19.246 11.558 1.00 0.00 C ATOM 1281 O SER A 78 -2.868 -19.591 10.698 1.00 0.00 O ATOM 1282 CB SER A 78 -6.138 -19.110 10.939 1.00 0.00 C ATOM 1283 OG SER A 78 -7.352 -19.839 10.787 1.00 0.00 O ATOM 0 H SER A 78 -6.273 -19.713 13.387 1.00 0.00 H new ATOM 0 HA SER A 78 -4.989 -20.917 11.187 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.332 -18.194 11.498 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.767 -18.813 9.958 1.00 0.00 H new ATOM 0 HG SER A 78 -7.923 -19.690 11.569 1.00 0.00 H new ATOM 1289 N VAL A 79 -3.431 -18.280 12.461 1.00 0.00 N ATOM 1290 CA VAL A 79 -2.158 -17.531 12.519 1.00 0.00 C ATOM 1291 C VAL A 79 -0.998 -18.425 13.007 1.00 0.00 C ATOM 1292 O VAL A 79 0.117 -18.353 12.468 1.00 0.00 O ATOM 1293 CB VAL A 79 -2.321 -16.250 13.423 1.00 0.00 C ATOM 1294 CG1 VAL A 79 -0.973 -15.580 13.777 1.00 0.00 C ATOM 1295 CG2 VAL A 79 -3.257 -15.236 12.730 1.00 0.00 C ATOM 0 H VAL A 79 -4.105 -17.995 13.171 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.905 -17.207 11.510 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.759 -16.579 14.365 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.154 -14.705 14.401 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.346 -16.288 14.319 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.467 -15.275 12.861 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.366 -14.353 13.359 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.832 -14.947 11.769 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.234 -15.692 12.572 1.00 0.00 H new ATOM 1305 N LYS A 80 -1.279 -19.281 14.010 1.00 0.00 N ATOM 1306 CA LYS A 80 -0.281 -20.224 14.564 1.00 0.00 C ATOM 1307 C LYS A 80 0.163 -21.241 13.495 1.00 0.00 C ATOM 1308 O LYS A 80 1.360 -21.488 13.312 1.00 0.00 O ATOM 1309 CB LYS A 80 -0.859 -20.969 15.798 1.00 0.00 C ATOM 1310 CG LYS A 80 -1.141 -20.068 17.018 1.00 0.00 C ATOM 1311 CD LYS A 80 -1.765 -20.841 18.207 1.00 0.00 C ATOM 1312 CE LYS A 80 -0.839 -21.940 18.763 1.00 0.00 C ATOM 1313 NZ LYS A 80 0.457 -21.401 19.251 1.00 0.00 N ATOM 0 H LYS A 80 -2.194 -19.340 14.457 1.00 0.00 H new ATOM 0 HA LYS A 80 0.589 -19.647 14.878 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.785 -21.464 15.506 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.160 -21.751 16.094 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.210 -19.602 17.342 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.814 -19.263 16.721 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.005 -20.138 19.005 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.704 -21.292 17.887 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.344 -22.457 19.579 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.651 -22.680 17.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.000 -22.162 19.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.999 -21.021 18.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.280 -20.642 19.940 1.00 0.00 H new ATOM 1327 N GLU A 81 -0.822 -21.801 12.779 1.00 0.00 N ATOM 1328 CA GLU A 81 -0.592 -22.815 11.731 1.00 0.00 C ATOM 1329 C GLU A 81 -0.142 -22.153 10.405 1.00 0.00 C ATOM 1330 O GLU A 81 0.344 -22.846 9.503 1.00 0.00 O ATOM 1331 CB GLU A 81 -1.882 -23.656 11.502 1.00 0.00 C ATOM 1332 CG GLU A 81 -2.505 -24.293 12.768 1.00 0.00 C ATOM 1333 CD GLU A 81 -1.531 -25.167 13.569 1.00 0.00 C ATOM 1334 OE1 GLU A 81 -1.285 -26.326 13.160 1.00 0.00 O ATOM 1335 OE2 GLU A 81 -1.002 -24.712 14.612 1.00 0.00 O ATOM 0 H GLU A 81 -1.806 -21.565 12.908 1.00 0.00 H new ATOM 0 HA GLU A 81 0.207 -23.476 12.069 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.631 -23.017 11.034 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.653 -24.452 10.793 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.881 -23.500 13.414 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.363 -24.898 12.474 1.00 0.00 H new ATOM 1342 N ALA A 82 -0.345 -20.812 10.311 1.00 0.00 N ATOM 1343 CA ALA A 82 0.021 -19.974 9.139 1.00 0.00 C ATOM 1344 C ALA A 82 -0.773 -20.369 7.869 1.00 0.00 C ATOM 1345 O ALA A 82 -0.312 -20.160 6.739 1.00 0.00 O ATOM 1346 CB ALA A 82 1.546 -19.995 8.906 1.00 0.00 C ATOM 0 H ALA A 82 -0.776 -20.274 11.063 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.263 -18.946 9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.791 -19.375 8.043 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.054 -19.606 9.788 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.872 -21.019 8.721 1.00 0.00 H new ATOM 1352 N ARG A 83 -1.995 -20.893 8.076 1.00 0.00 N ATOM 1353 CA ARG A 83 -2.887 -21.369 6.991 1.00 0.00 C ATOM 1354 C ARG A 83 -4.347 -21.011 7.323 1.00 0.00 C ATOM 1355 O ARG A 83 -4.685 -20.795 8.489 1.00 0.00 O ATOM 1356 CB ARG A 83 -2.743 -22.911 6.809 1.00 0.00 C ATOM 1357 CG ARG A 83 -3.038 -23.721 8.091 1.00 0.00 C ATOM 1358 CD ARG A 83 -2.993 -25.250 7.899 1.00 0.00 C ATOM 1359 NE ARG A 83 -4.096 -25.752 7.054 1.00 0.00 N ATOM 1360 CZ ARG A 83 -4.806 -26.874 7.277 1.00 0.00 C ATOM 1361 NH1 ARG A 83 -4.575 -27.629 8.345 1.00 0.00 N ATOM 1362 NH2 ARG A 83 -5.736 -27.240 6.409 1.00 0.00 N ATOM 0 H ARG A 83 -2.399 -21.001 9.007 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.601 -20.881 6.059 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.419 -23.239 6.020 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.730 -23.135 6.474 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.316 -23.441 8.858 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.023 -23.442 8.464 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.040 -25.527 7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.038 -25.736 8.874 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.341 -25.201 6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.850 -27.362 9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.122 -28.476 8.499 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.910 -26.673 5.579 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.278 -28.089 6.570 1.00 0.00 H new ATOM 1376 N LEU A 84 -5.203 -20.962 6.290 1.00 0.00 N ATOM 1377 CA LEU A 84 -6.645 -20.721 6.452 1.00 0.00 C ATOM 1378 C LEU A 84 -7.332 -22.028 6.897 1.00 0.00 C ATOM 1379 O LEU A 84 -7.214 -23.064 6.229 1.00 0.00 O ATOM 1380 CB LEU A 84 -7.257 -20.179 5.126 1.00 0.00 C ATOM 1381 CG LEU A 84 -8.786 -19.856 5.147 1.00 0.00 C ATOM 1382 CD1 LEU A 84 -9.126 -18.773 6.194 1.00 0.00 C ATOM 1383 CD2 LEU A 84 -9.298 -19.456 3.737 1.00 0.00 C ATOM 0 H LEU A 84 -4.915 -21.088 5.320 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.807 -19.964 7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.720 -19.272 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.073 -20.912 4.340 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.305 -20.768 5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.198 -18.576 6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.835 -19.121 7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.585 -17.857 5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.365 -19.238 3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.762 -18.572 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.127 -20.278 3.041 1.00 0.00 H new ATOM 1395 N LEU A 85 -7.998 -21.976 8.057 1.00 0.00 N ATOM 1396 CA LEU A 85 -8.720 -23.121 8.650 1.00 0.00 C ATOM 1397 C LEU A 85 -10.232 -22.980 8.397 1.00 0.00 C ATOM 1398 O LEU A 85 -10.690 -21.859 8.157 1.00 0.00 O ATOM 1399 CB LEU A 85 -8.417 -23.164 10.170 1.00 0.00 C ATOM 1400 CG LEU A 85 -6.911 -23.287 10.545 1.00 0.00 C ATOM 1401 CD1 LEU A 85 -6.719 -23.250 12.064 1.00 0.00 C ATOM 1402 CD2 LEU A 85 -6.267 -24.551 9.929 1.00 0.00 C ATOM 0 H LEU A 85 -8.055 -21.129 8.622 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.389 -24.052 8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.816 -22.259 10.629 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.953 -24.006 10.607 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.397 -22.425 10.119 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.658 -23.338 12.299 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.101 -22.307 12.456 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.261 -24.079 12.520 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.216 -24.600 10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.784 -25.438 10.295 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.346 -24.507 8.843 1.00 0.00 H new ATOM 1414 N PRO A 86 -11.040 -24.098 8.453 1.00 0.00 N ATOM 1415 CA PRO A 86 -12.496 -24.032 8.191 1.00 0.00 C ATOM 1416 C PRO A 86 -13.226 -23.165 9.243 1.00 0.00 C ATOM 1417 O PRO A 86 -13.339 -23.546 10.413 1.00 0.00 O ATOM 1418 CB PRO A 86 -12.947 -25.522 8.230 1.00 0.00 C ATOM 1419 CG PRO A 86 -11.916 -26.214 9.062 1.00 0.00 C ATOM 1420 CD PRO A 86 -10.613 -25.495 8.779 1.00 0.00 C ATOM 0 HA PRO A 86 -12.735 -23.557 7.240 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -13.940 -25.623 8.667 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.996 -25.947 7.227 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.169 -26.164 10.121 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.846 -27.270 8.801 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.947 -25.519 9.642 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.075 -25.953 7.949 1.00 0.00 H new ATOM 1428 N TRP A 87 -13.680 -21.975 8.800 1.00 0.00 N ATOM 1429 CA TRP A 87 -14.455 -21.030 9.633 1.00 0.00 C ATOM 1430 C TRP A 87 -15.740 -21.695 10.172 1.00 0.00 C ATOM 1431 O TRP A 87 -16.178 -21.398 11.277 1.00 0.00 O ATOM 1432 CB TRP A 87 -14.793 -19.745 8.818 1.00 0.00 C ATOM 1433 CG TRP A 87 -15.719 -19.972 7.634 1.00 0.00 C ATOM 1434 CD1 TRP A 87 -15.371 -20.342 6.363 1.00 0.00 C ATOM 1435 CD2 TRP A 87 -17.147 -19.868 7.636 1.00 0.00 C ATOM 1436 NE1 TRP A 87 -16.490 -20.471 5.587 1.00 0.00 N ATOM 1437 CE2 TRP A 87 -17.591 -20.179 6.343 1.00 0.00 C ATOM 1438 CE3 TRP A 87 -18.091 -19.534 8.612 1.00 0.00 C ATOM 1439 CZ2 TRP A 87 -18.937 -20.175 5.998 1.00 0.00 C ATOM 1440 CZ3 TRP A 87 -19.424 -19.535 8.272 1.00 0.00 C ATOM 1441 CH2 TRP A 87 -19.839 -19.847 6.972 1.00 0.00 C ATOM 0 H TRP A 87 -13.519 -21.640 7.850 1.00 0.00 H new ATOM 0 HA TRP A 87 -13.845 -20.745 10.490 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -15.252 -19.017 9.487 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -13.864 -19.305 8.456 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -14.360 -20.508 6.022 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -16.501 -20.741 4.604 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -17.779 -19.280 9.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -19.259 -20.422 4.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -20.163 -19.291 9.021 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -20.892 -19.828 6.734 1.00 0.00 H new ATOM 1452 N GLN A 88 -16.306 -22.609 9.350 1.00 0.00 N ATOM 1453 CA GLN A 88 -17.546 -23.358 9.655 1.00 0.00 C ATOM 1454 C GLN A 88 -17.404 -24.198 10.940 1.00 0.00 C ATOM 1455 O GLN A 88 -18.383 -24.404 11.661 1.00 0.00 O ATOM 1456 CB GLN A 88 -17.923 -24.268 8.449 1.00 0.00 C ATOM 1457 CG GLN A 88 -16.827 -25.290 8.057 1.00 0.00 C ATOM 1458 CD GLN A 88 -17.218 -26.246 6.926 1.00 0.00 C ATOM 1459 OE1 GLN A 88 -17.998 -25.902 6.041 1.00 0.00 O ATOM 1460 NE2 GLN A 88 -16.670 -27.452 6.945 1.00 0.00 N ATOM 0 H GLN A 88 -15.907 -22.850 8.443 1.00 0.00 H new ATOM 0 HA GLN A 88 -18.344 -22.635 9.826 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -18.839 -24.808 8.689 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -18.141 -23.638 7.587 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.931 -24.745 7.760 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.566 -25.878 8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.026 -27.708 7.693 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.892 -28.125 6.211 1.00 0.00 H new ATOM 1469 N ASN A 89 -16.169 -24.665 11.209 1.00 0.00 N ATOM 1470 CA ASN A 89 -15.839 -25.452 12.413 1.00 0.00 C ATOM 1471 C ASN A 89 -15.881 -24.569 13.673 1.00 0.00 C ATOM 1472 O ASN A 89 -16.355 -24.992 14.736 1.00 0.00 O ATOM 1473 CB ASN A 89 -14.445 -26.112 12.237 1.00 0.00 C ATOM 1474 CG ASN A 89 -13.971 -26.890 13.472 1.00 0.00 C ATOM 1475 OD1 ASN A 89 -14.341 -28.049 13.666 1.00 0.00 O ATOM 1476 ND2 ASN A 89 -13.125 -26.277 14.298 1.00 0.00 N ATOM 0 H ASN A 89 -15.370 -24.506 10.595 1.00 0.00 H new ATOM 0 HA ASN A 89 -16.584 -26.237 12.540 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -14.478 -26.788 11.383 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -13.713 -25.339 12.003 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.766 -26.768 15.117 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.836 -25.317 14.112 1.00 0.00 H new ATOM 1483 N TYR A 90 -15.387 -23.331 13.532 1.00 0.00 N ATOM 1484 CA TYR A 90 -15.314 -22.355 14.635 1.00 0.00 C ATOM 1485 C TYR A 90 -16.556 -21.435 14.666 1.00 0.00 C ATOM 1486 O TYR A 90 -16.645 -20.562 15.531 1.00 0.00 O ATOM 1487 CB TYR A 90 -14.035 -21.496 14.485 1.00 0.00 C ATOM 1488 CG TYR A 90 -12.712 -22.283 14.542 1.00 0.00 C ATOM 1489 CD1 TYR A 90 -12.067 -22.523 15.759 1.00 0.00 C ATOM 1490 CD2 TYR A 90 -12.096 -22.761 13.381 1.00 0.00 C ATOM 1491 CE1 TYR A 90 -10.866 -23.208 15.815 1.00 0.00 C ATOM 1492 CE2 TYR A 90 -10.895 -23.448 13.435 1.00 0.00 C ATOM 1493 CZ TYR A 90 -10.284 -23.666 14.653 1.00 0.00 C ATOM 1494 OH TYR A 90 -9.088 -24.350 14.716 1.00 0.00 O ATOM 0 H TYR A 90 -15.025 -22.974 12.648 1.00 0.00 H new ATOM 0 HA TYR A 90 -15.284 -22.910 15.573 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.083 -20.963 13.535 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -14.027 -20.743 15.273 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.515 -22.166 16.674 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.566 -22.591 12.424 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.386 -23.383 16.767 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.438 -23.812 12.527 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.929 -24.809 13.865 1.00 0.00 H new ATOM 1504 N SER A 91 -17.506 -21.633 13.732 1.00 0.00 N ATOM 1505 CA SER A 91 -18.638 -20.706 13.540 1.00 0.00 C ATOM 1506 C SER A 91 -19.659 -20.808 14.689 1.00 0.00 C ATOM 1507 O SER A 91 -20.136 -21.902 15.018 1.00 0.00 O ATOM 1508 CB SER A 91 -19.333 -20.960 12.179 1.00 0.00 C ATOM 1509 OG SER A 91 -20.260 -19.927 11.862 1.00 0.00 O ATOM 0 H SER A 91 -17.512 -22.430 13.096 1.00 0.00 H new ATOM 0 HA SER A 91 -18.232 -19.694 13.543 1.00 0.00 H new ATOM 0 HB2 SER A 91 -18.581 -21.028 11.393 1.00 0.00 H new ATOM 0 HB3 SER A 91 -19.851 -21.918 12.208 1.00 0.00 H new ATOM 0 HG SER A 91 -21.160 -20.307 11.784 1.00 0.00 H new ATOM 1515 N LEU A 92 -19.944 -19.654 15.322 1.00 0.00 N ATOM 1516 CA LEU A 92 -21.056 -19.507 16.267 1.00 0.00 C ATOM 1517 C LEU A 92 -22.394 -19.494 15.507 1.00 0.00 C ATOM 1518 O LEU A 92 -23.345 -20.154 15.922 1.00 0.00 O ATOM 1519 CB LEU A 92 -20.886 -18.222 17.124 1.00 0.00 C ATOM 1520 CG LEU A 92 -19.601 -18.168 18.017 1.00 0.00 C ATOM 1521 CD1 LEU A 92 -19.565 -16.891 18.873 1.00 0.00 C ATOM 1522 CD2 LEU A 92 -19.466 -19.425 18.906 1.00 0.00 C ATOM 0 H LEU A 92 -19.405 -18.798 15.189 1.00 0.00 H new ATOM 0 HA LEU A 92 -21.054 -20.359 16.947 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -20.879 -17.360 16.457 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -21.759 -18.119 17.769 1.00 0.00 H new ATOM 0 HG LEU A 92 -18.746 -18.147 17.341 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -18.660 -16.886 19.481 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -19.570 -16.017 18.222 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -20.439 -16.864 19.524 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.562 -19.348 19.510 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -20.334 -19.503 19.561 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.407 -20.312 18.275 1.00 0.00 H new ATOM 1534 N THR A 93 -22.449 -18.748 14.383 1.00 0.00 N ATOM 1535 CA THR A 93 -23.620 -18.738 13.484 1.00 0.00 C ATOM 1536 C THR A 93 -23.648 -20.035 12.647 1.00 0.00 C ATOM 1537 O THR A 93 -23.142 -20.083 11.520 1.00 0.00 O ATOM 1538 CB THR A 93 -23.621 -17.479 12.554 1.00 0.00 C ATOM 1539 OG1 THR A 93 -22.320 -17.316 11.969 1.00 0.00 O ATOM 1540 CG2 THR A 93 -24.016 -16.211 13.319 1.00 0.00 C ATOM 0 H THR A 93 -21.689 -18.141 14.076 1.00 0.00 H new ATOM 0 HA THR A 93 -24.520 -18.689 14.097 1.00 0.00 H new ATOM 0 HB THR A 93 -24.363 -17.635 11.770 1.00 0.00 H new ATOM 0 HG1 THR A 93 -22.032 -18.164 11.570 1.00 0.00 H new ATOM 0 HG21 THR A 93 -24.005 -15.358 12.640 1.00 0.00 H new ATOM 0 HG22 THR A 93 -25.017 -16.333 13.733 1.00 0.00 H new ATOM 0 HG23 THR A 93 -23.307 -16.039 14.129 1.00 0.00 H new ATOM 1548 N SER A 94 -24.213 -21.082 13.249 1.00 0.00 N ATOM 1549 CA SER A 94 -24.318 -22.410 12.648 1.00 0.00 C ATOM 1550 C SER A 94 -25.505 -23.137 13.328 1.00 0.00 C ATOM 1551 O SER A 94 -26.631 -23.087 12.791 1.00 0.00 O ATOM 1552 CB SER A 94 -22.971 -23.175 12.825 1.00 0.00 C ATOM 1553 OG SER A 94 -22.965 -24.407 12.125 1.00 0.00 O ATOM 1554 OXT SER A 94 -25.329 -23.675 14.448 1.00 0.00 O ATOM 0 H SER A 94 -24.617 -21.029 14.184 1.00 0.00 H new ATOM 0 HA SER A 94 -24.507 -22.353 11.576 1.00 0.00 H new ATOM 0 HB2 SER A 94 -22.151 -22.552 12.469 1.00 0.00 H new ATOM 0 HB3 SER A 94 -22.795 -23.359 13.885 1.00 0.00 H new ATOM 0 HG SER A 94 -22.104 -24.855 12.259 1.00 0.00 H new