USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, 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 Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= -1.06 USER MOD Single : A 14 SER OG : rot -150:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc=-0.00415 X(o=-0.0041,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= -1.08! (180deg=-1.1!) USER MOD Single : A 25 TYR OH : rot -120:sc= -0.911 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.563 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 36:sc= 0.0348 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -1.19 USER MOD Single : A 49 MET CE :methyl 140:sc= -2.43 (180deg=-3.12) USER MOD Single : A 54 TYR OH : rot -59:sc= 1.24 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0.279 (180deg=0.271) USER MOD Single : A 66 GLN : amide:sc=-0.00725 K(o=-0.0072,f=-0.62) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 80:sc= 0 USER MOD Single : A 80 CYS SG : rot -80:sc= 0.309 USER MOD Single : A 83 HIS : no HD1:sc=-0.00119 X(o=-0.0012,f=-0.19) USER MOD Single : A 87 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 1.178 -8.976 10.124 1.00 0.00 N ATOM 60 CA GLY A 7 0.467 -7.894 9.464 1.00 0.00 C ATOM 61 C GLY A 7 0.908 -6.535 10.011 1.00 0.00 C ATOM 62 O GLY A 7 1.347 -6.434 11.156 1.00 0.00 O ATOM 0 HA2 GLY A 7 0.651 -7.935 8.390 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.606 -8.018 9.609 1.00 0.00 H new ATOM 66 N VAL A 8 0.776 -5.522 9.166 1.00 0.00 N ATOM 67 CA VAL A 8 1.155 -4.173 9.550 1.00 0.00 C ATOM 68 C VAL A 8 0.071 -3.194 9.097 1.00 0.00 C ATOM 69 O VAL A 8 -0.355 -3.225 7.943 1.00 0.00 O ATOM 70 CB VAL A 8 2.537 -3.837 8.986 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.633 -4.112 10.019 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.801 -4.605 7.689 1.00 0.00 C ATOM 0 H VAL A 8 0.412 -5.609 8.217 1.00 0.00 H new ATOM 0 HA VAL A 8 1.233 -4.093 10.634 1.00 0.00 H new ATOM 0 HB VAL A 8 2.555 -2.772 8.755 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.605 -3.865 9.593 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.459 -3.501 10.905 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.616 -5.166 10.296 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.790 -4.348 7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.754 -5.676 7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.047 -4.338 6.948 1.00 0.00 H new ATOM 82 N MET A 9 -0.346 -2.348 10.028 1.00 0.00 N ATOM 83 CA MET A 9 -1.372 -1.362 9.738 1.00 0.00 C ATOM 84 C MET A 9 -0.770 -0.121 9.076 1.00 0.00 C ATOM 85 O MET A 9 0.075 0.552 9.665 1.00 0.00 O ATOM 86 CB MET A 9 -2.074 -0.959 11.037 1.00 0.00 C ATOM 87 CG MET A 9 -3.201 -1.935 11.377 1.00 0.00 C ATOM 88 SD MET A 9 -3.207 -2.274 13.130 1.00 0.00 S ATOM 89 CE MET A 9 -4.525 -3.475 13.209 1.00 0.00 C ATOM 0 H MET A 9 0.009 -2.326 10.984 1.00 0.00 H new ATOM 0 HA MET A 9 -2.090 -1.805 9.048 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.351 -0.934 11.853 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.478 0.049 10.939 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.161 -1.514 11.076 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.071 -2.862 10.819 1.00 0.00 H new ATOM 0 HE1 MET A 9 -4.663 -3.796 14.241 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.448 -3.027 12.842 1.00 0.00 H new ATOM 0 HE3 MET A 9 -4.269 -4.337 12.592 1.00 0.00 H new ATOM 99 N VAL A 10 -1.228 0.143 7.861 1.00 0.00 N ATOM 100 CA VAL A 10 -0.744 1.291 7.113 1.00 0.00 C ATOM 101 C VAL A 10 -1.936 2.134 6.655 1.00 0.00 C ATOM 102 O VAL A 10 -3.013 1.602 6.392 1.00 0.00 O ATOM 103 CB VAL A 10 0.140 0.826 5.954 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.365 0.068 6.469 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.657 -0.027 4.965 1.00 0.00 C ATOM 0 H VAL A 10 -1.929 -0.418 7.376 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.121 1.924 7.745 1.00 0.00 H new ATOM 0 HB VAL A 10 0.492 1.711 5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.977 -0.251 5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.951 0.721 7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.041 -0.806 7.034 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.005 -0.345 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.052 -0.904 5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.482 0.560 4.561 1.00 0.00 H new ATOM 115 N PHE A 11 -1.702 3.436 6.573 1.00 0.00 N ATOM 116 CA PHE A 11 -2.743 4.358 6.151 1.00 0.00 C ATOM 117 C PHE A 11 -2.693 4.587 4.639 1.00 0.00 C ATOM 118 O PHE A 11 -1.836 5.319 4.146 1.00 0.00 O ATOM 119 CB PHE A 11 -2.481 5.686 6.865 1.00 0.00 C ATOM 120 CG PHE A 11 -3.024 5.742 8.294 1.00 0.00 C ATOM 121 CD1 PHE A 11 -2.270 5.276 9.326 1.00 0.00 C ATOM 122 CD2 PHE A 11 -4.260 6.257 8.532 1.00 0.00 C ATOM 123 CE1 PHE A 11 -2.774 5.329 10.653 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.764 6.309 9.858 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.011 5.844 10.891 1.00 0.00 C ATOM 0 H PHE A 11 -0.807 3.874 6.792 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.723 3.950 6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.407 5.868 6.888 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.929 6.493 6.285 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.289 4.866 9.137 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.858 6.626 7.712 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.176 4.961 11.473 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.746 6.718 10.047 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.395 5.883 11.900 1.00 0.00 H new ATOM 135 N ILE A 12 -3.622 3.946 3.944 1.00 0.00 N ATOM 136 CA ILE A 12 -3.694 4.071 2.499 1.00 0.00 C ATOM 137 C ILE A 12 -4.505 5.318 2.138 1.00 0.00 C ATOM 138 O ILE A 12 -5.456 5.666 2.835 1.00 0.00 O ATOM 139 CB ILE A 12 -4.237 2.783 1.876 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.551 1.553 2.475 1.00 0.00 C ATOM 141 CG2 ILE A 12 -4.121 2.819 0.351 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.160 1.354 1.871 1.00 0.00 C ATOM 0 H ILE A 12 -4.331 3.339 4.356 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.697 4.206 2.079 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.298 2.709 2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.469 1.668 3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.160 0.668 2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.514 1.892 -0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.692 3.662 -0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.074 2.929 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.694 0.474 2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.248 1.215 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.546 2.231 2.075 1.00 0.00 H new ATOM 154 N SER A 13 -4.098 5.955 1.050 1.00 0.00 N ATOM 155 CA SER A 13 -4.774 7.155 0.589 1.00 0.00 C ATOM 156 C SER A 13 -4.859 7.154 -0.939 1.00 0.00 C ATOM 157 O SER A 13 -4.423 6.204 -1.587 1.00 0.00 O ATOM 158 CB SER A 13 -4.058 8.415 1.080 1.00 0.00 C ATOM 159 OG SER A 13 -4.910 9.557 1.058 1.00 0.00 O ATOM 0 H SER A 13 -3.308 5.662 0.474 1.00 0.00 H new ATOM 0 HA SER A 13 -5.782 7.159 1.003 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.695 8.253 2.095 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.185 8.602 0.455 1.00 0.00 H new ATOM 0 HG SER A 13 -4.416 10.340 1.380 1.00 0.00 H new ATOM 165 N SER A 14 -5.424 8.229 -1.469 1.00 0.00 N ATOM 166 CA SER A 14 -5.572 8.363 -2.908 1.00 0.00 C ATOM 167 C SER A 14 -6.111 9.754 -3.251 1.00 0.00 C ATOM 168 O SER A 14 -7.075 10.217 -2.644 1.00 0.00 O ATOM 169 CB SER A 14 -6.497 7.282 -3.470 1.00 0.00 C ATOM 170 OG SER A 14 -7.822 7.394 -2.958 1.00 0.00 O ATOM 0 H SER A 14 -5.785 9.015 -0.928 1.00 0.00 H new ATOM 0 HA SER A 14 -4.591 8.237 -3.366 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.521 7.355 -4.557 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.096 6.299 -3.225 1.00 0.00 H new ATOM 0 HG SER A 14 -8.236 6.506 -2.924 1.00 0.00 H new ATOM 176 N SER A 15 -5.464 10.381 -4.223 1.00 0.00 N ATOM 177 CA SER A 15 -5.867 11.709 -4.654 1.00 0.00 C ATOM 178 C SER A 15 -7.327 11.691 -5.111 1.00 0.00 C ATOM 179 O SER A 15 -8.000 12.720 -5.090 1.00 0.00 O ATOM 180 CB SER A 15 -4.964 12.220 -5.779 1.00 0.00 C ATOM 181 OG SER A 15 -4.222 13.371 -5.386 1.00 0.00 O ATOM 0 H SER A 15 -4.664 9.994 -4.724 1.00 0.00 H new ATOM 0 HA SER A 15 -5.767 12.388 -3.808 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.276 11.430 -6.079 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.572 12.461 -6.651 1.00 0.00 H new ATOM 0 HG SER A 15 -3.657 13.666 -6.130 1.00 0.00 H new ATOM 187 N LEU A 16 -7.772 10.510 -5.514 1.00 0.00 N ATOM 188 CA LEU A 16 -9.140 10.344 -5.976 1.00 0.00 C ATOM 189 C LEU A 16 -10.104 10.712 -4.846 1.00 0.00 C ATOM 190 O LEU A 16 -11.040 11.483 -5.050 1.00 0.00 O ATOM 191 CB LEU A 16 -9.351 8.934 -6.530 1.00 0.00 C ATOM 192 CG LEU A 16 -8.542 8.575 -7.778 1.00 0.00 C ATOM 193 CD1 LEU A 16 -8.013 7.142 -7.695 1.00 0.00 C ATOM 194 CD2 LEU A 16 -9.360 8.812 -9.049 1.00 0.00 C ATOM 0 H LEU A 16 -7.210 9.659 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.347 11.021 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.109 8.217 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.409 8.810 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.676 9.235 -7.825 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.442 6.912 -8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.370 7.042 -6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.850 6.449 -7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.762 8.549 -9.921 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.257 8.194 -9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.645 9.862 -9.108 1.00 0.00 H new ATOM 206 N ASN A 17 -9.841 10.143 -3.679 1.00 0.00 N ATOM 207 CA ASN A 17 -10.673 10.401 -2.516 1.00 0.00 C ATOM 208 C ASN A 17 -9.927 11.331 -1.557 1.00 0.00 C ATOM 209 O ASN A 17 -8.810 11.030 -1.137 1.00 0.00 O ATOM 210 CB ASN A 17 -10.989 9.105 -1.767 1.00 0.00 C ATOM 211 CG ASN A 17 -12.068 8.300 -2.495 1.00 0.00 C ATOM 212 OD1 ASN A 17 -13.246 8.615 -2.456 1.00 0.00 O ATOM 213 ND2 ASN A 17 -11.601 7.247 -3.159 1.00 0.00 N ATOM 0 H ASN A 17 -9.063 9.504 -3.514 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.602 10.855 -2.860 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.084 8.505 -1.673 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.324 9.337 -0.756 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.242 6.646 -3.678 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.602 7.040 -3.150 1.00 0.00 H new ATOM 220 N SER A 18 -10.574 12.442 -1.237 1.00 0.00 N ATOM 221 CA SER A 18 -9.987 13.418 -0.336 1.00 0.00 C ATOM 222 C SER A 18 -10.039 12.899 1.103 1.00 0.00 C ATOM 223 O SER A 18 -10.689 13.497 1.959 1.00 0.00 O ATOM 224 CB SER A 18 -10.703 14.766 -0.440 1.00 0.00 C ATOM 225 OG SER A 18 -10.018 15.669 -1.304 1.00 0.00 O ATOM 0 H SER A 18 -11.500 12.688 -1.586 1.00 0.00 H new ATOM 0 HA SER A 18 -8.947 13.567 -0.625 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.717 14.610 -0.808 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.789 15.208 0.552 1.00 0.00 H new ATOM 0 HG SER A 18 -10.507 16.517 -1.345 1.00 0.00 H new ATOM 231 N PHE A 19 -9.345 11.792 1.324 1.00 0.00 N ATOM 232 CA PHE A 19 -9.304 11.186 2.644 1.00 0.00 C ATOM 233 C PHE A 19 -8.450 9.917 2.639 1.00 0.00 C ATOM 234 O PHE A 19 -8.210 9.330 1.584 1.00 0.00 O ATOM 235 CB PHE A 19 -10.743 10.817 3.012 1.00 0.00 C ATOM 236 CG PHE A 19 -11.034 10.869 4.513 1.00 0.00 C ATOM 237 CD1 PHE A 19 -11.261 12.064 5.121 1.00 0.00 C ATOM 238 CD2 PHE A 19 -11.066 9.719 5.239 1.00 0.00 C ATOM 239 CE1 PHE A 19 -11.531 12.111 6.514 1.00 0.00 C ATOM 240 CE2 PHE A 19 -11.336 9.767 6.633 1.00 0.00 C ATOM 241 CZ PHE A 19 -11.563 10.962 7.241 1.00 0.00 C ATOM 0 H PHE A 19 -8.807 11.299 0.611 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.867 11.883 3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.424 11.494 2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.955 9.812 2.646 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.236 12.977 4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.886 8.770 4.756 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.711 13.060 6.997 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.361 8.854 7.210 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.769 10.999 8.301 1.00 0.00 H new ATOM 251 N ARG A 20 -8.014 9.530 3.829 1.00 0.00 N ATOM 252 CA ARG A 20 -7.192 8.341 3.974 1.00 0.00 C ATOM 253 C ARG A 20 -8.034 7.174 4.495 1.00 0.00 C ATOM 254 O ARG A 20 -9.058 7.383 5.143 1.00 0.00 O ATOM 255 CB ARG A 20 -6.028 8.590 4.935 1.00 0.00 C ATOM 256 CG ARG A 20 -4.861 9.272 4.218 1.00 0.00 C ATOM 257 CD ARG A 20 -4.313 10.435 5.047 1.00 0.00 C ATOM 258 NE ARG A 20 -4.460 11.703 4.299 1.00 0.00 N ATOM 259 CZ ARG A 20 -5.581 12.438 4.280 1.00 0.00 C ATOM 260 NH1 ARG A 20 -6.658 12.035 4.967 1.00 0.00 N ATOM 261 NH2 ARG A 20 -5.624 13.576 3.574 1.00 0.00 N ATOM 0 H ARG A 20 -8.215 10.019 4.701 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.790 8.094 2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.363 9.212 5.765 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.695 7.644 5.361 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.069 8.547 4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.191 9.637 3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.846 10.499 5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.263 10.262 5.282 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.659 12.039 3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.625 11.169 5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.511 12.594 4.952 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.804 13.883 3.051 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.477 14.135 3.559 1.00 0.00 H new ATOM 275 N SER A 21 -7.570 5.970 4.192 1.00 0.00 N ATOM 276 CA SER A 21 -8.268 4.770 4.621 1.00 0.00 C ATOM 277 C SER A 21 -7.400 3.986 5.608 1.00 0.00 C ATOM 278 O SER A 21 -6.220 4.288 5.779 1.00 0.00 O ATOM 279 CB SER A 21 -8.638 3.890 3.425 1.00 0.00 C ATOM 280 OG SER A 21 -9.921 4.218 2.899 1.00 0.00 O ATOM 0 H SER A 21 -6.720 5.800 3.655 1.00 0.00 H new ATOM 0 HA SER A 21 -9.192 5.070 5.116 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.886 4.004 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.627 2.843 3.728 1.00 0.00 H new ATOM 0 HG SER A 21 -10.120 3.636 2.136 1.00 0.00 H new ATOM 286 N GLU A 22 -8.019 2.993 6.231 1.00 0.00 N ATOM 287 CA GLU A 22 -7.318 2.164 7.196 1.00 0.00 C ATOM 288 C GLU A 22 -7.390 0.692 6.783 1.00 0.00 C ATOM 289 O GLU A 22 -8.392 0.022 7.030 1.00 0.00 O ATOM 290 CB GLU A 22 -7.882 2.365 8.604 1.00 0.00 C ATOM 291 CG GLU A 22 -7.119 1.520 9.627 1.00 0.00 C ATOM 292 CD GLU A 22 -7.706 1.694 11.029 1.00 0.00 C ATOM 293 OE1 GLU A 22 -7.324 2.687 11.685 1.00 0.00 O ATOM 294 OE2 GLU A 22 -8.523 0.829 11.413 1.00 0.00 O ATOM 0 H GLU A 22 -8.998 2.745 6.086 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.271 2.467 7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.819 3.418 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.938 2.094 8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.160 0.469 9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.068 1.808 9.631 1.00 0.00 H new ATOM 301 N LYS A 23 -6.315 0.233 6.160 1.00 0.00 N ATOM 302 CA LYS A 23 -6.243 -1.147 5.710 1.00 0.00 C ATOM 303 C LYS A 23 -4.982 -1.800 6.279 1.00 0.00 C ATOM 304 O LYS A 23 -4.210 -1.155 6.987 1.00 0.00 O ATOM 305 CB LYS A 23 -6.338 -1.218 4.184 1.00 0.00 C ATOM 306 CG LYS A 23 -7.773 -0.978 3.712 1.00 0.00 C ATOM 307 CD LYS A 23 -8.330 -2.213 3.000 1.00 0.00 C ATOM 308 CE LYS A 23 -9.015 -1.827 1.688 1.00 0.00 C ATOM 309 NZ LYS A 23 -8.895 -2.921 0.699 1.00 0.00 N ATOM 0 H LYS A 23 -5.487 0.792 5.956 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.093 -1.715 6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.676 -0.474 3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.997 -2.194 3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.404 -0.731 4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.799 -0.122 3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.522 -2.917 2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.042 -2.722 3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.067 -1.608 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.565 -0.918 1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.351 -2.636 -0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.890 -3.123 0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.360 -3.775 1.068 1.00 0.00 H new ATOM 323 N ARG A 24 -4.811 -3.071 5.947 1.00 0.00 N ATOM 324 CA ARG A 24 -3.657 -3.819 6.416 1.00 0.00 C ATOM 325 C ARG A 24 -3.101 -4.697 5.293 1.00 0.00 C ATOM 326 O ARG A 24 -3.854 -5.194 4.458 1.00 0.00 O ATOM 327 CB ARG A 24 -4.021 -4.701 7.612 1.00 0.00 C ATOM 328 CG ARG A 24 -2.866 -5.638 7.973 1.00 0.00 C ATOM 329 CD ARG A 24 -3.294 -6.648 9.040 1.00 0.00 C ATOM 330 NE ARG A 24 -3.174 -8.025 8.510 1.00 0.00 N ATOM 331 CZ ARG A 24 -3.508 -9.126 9.197 1.00 0.00 C ATOM 332 NH1 ARG A 24 -3.985 -9.018 10.444 1.00 0.00 N ATOM 333 NH2 ARG A 24 -3.366 -10.334 8.636 1.00 0.00 N ATOM 0 H ARG A 24 -5.453 -3.602 5.358 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.900 -3.099 6.727 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.267 -4.074 8.469 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.910 -5.287 7.379 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.529 -6.166 7.081 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.020 -5.055 8.337 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.673 -6.536 9.929 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.323 -6.455 9.344 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.815 -8.143 7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.094 -8.098 10.870 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.239 -9.856 10.967 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.004 -10.416 7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.620 -11.172 9.159 1.00 0.00 H new ATOM 347 N TYR A 25 -1.786 -4.860 5.309 1.00 0.00 N ATOM 348 CA TYR A 25 -1.120 -5.669 4.302 1.00 0.00 C ATOM 349 C TYR A 25 0.145 -6.317 4.868 1.00 0.00 C ATOM 350 O TYR A 25 0.868 -5.698 5.648 1.00 0.00 O ATOM 351 CB TYR A 25 -0.727 -4.706 3.180 1.00 0.00 C ATOM 352 CG TYR A 25 -1.894 -3.884 2.628 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.280 -2.722 3.264 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.559 -4.305 1.495 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.378 -1.948 2.745 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.657 -3.531 0.976 1.00 0.00 C ATOM 357 CZ TYR A 25 -4.012 -2.391 1.626 1.00 0.00 C ATOM 358 OH TYR A 25 -5.049 -1.660 1.136 1.00 0.00 O ATOM 0 H TYR A 25 -1.164 -4.446 6.003 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.776 -6.468 3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.040 -4.026 3.551 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.280 -5.276 2.366 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.759 -2.393 4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.256 -5.215 0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.691 -1.037 3.233 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.187 -3.849 0.090 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.861 -2.208 1.129 1.00 0.00 H new ATOM 368 N SER A 26 0.374 -7.554 4.454 1.00 0.00 N ATOM 369 CA SER A 26 1.539 -8.293 4.911 1.00 0.00 C ATOM 370 C SER A 26 2.815 -7.642 4.372 1.00 0.00 C ATOM 371 O SER A 26 2.824 -7.112 3.262 1.00 0.00 O ATOM 372 CB SER A 26 1.467 -9.758 4.477 1.00 0.00 C ATOM 373 OG SER A 26 2.522 -10.534 5.038 1.00 0.00 O ATOM 0 H SER A 26 -0.227 -8.064 3.807 1.00 0.00 H new ATOM 0 HA SER A 26 1.556 -8.266 6.001 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.508 -10.179 4.779 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.513 -9.816 3.390 1.00 0.00 H new ATOM 0 HG SER A 26 2.440 -11.463 4.738 1.00 0.00 H new ATOM 379 N ARG A 27 3.860 -7.704 5.184 1.00 0.00 N ATOM 380 CA ARG A 27 5.138 -7.127 4.802 1.00 0.00 C ATOM 381 C ARG A 27 5.812 -7.990 3.733 1.00 0.00 C ATOM 382 O ARG A 27 6.884 -7.645 3.238 1.00 0.00 O ATOM 383 CB ARG A 27 6.069 -7.004 6.011 1.00 0.00 C ATOM 384 CG ARG A 27 5.616 -5.877 6.940 1.00 0.00 C ATOM 385 CD ARG A 27 6.680 -5.576 7.997 1.00 0.00 C ATOM 386 NE ARG A 27 6.171 -5.929 9.342 1.00 0.00 N ATOM 387 CZ ARG A 27 6.225 -7.161 9.866 1.00 0.00 C ATOM 388 NH1 ARG A 27 6.766 -8.165 9.163 1.00 0.00 N ATOM 389 NH2 ARG A 27 5.739 -7.389 11.094 1.00 0.00 N ATOM 0 H ARG A 27 3.848 -8.144 6.104 1.00 0.00 H new ATOM 0 HA ARG A 27 4.947 -6.131 4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.086 -7.946 6.558 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.087 -6.814 5.672 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.414 -4.979 6.356 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.682 -6.157 7.428 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.587 -6.141 7.783 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.947 -4.520 7.966 1.00 0.00 H new ATOM 0 HE ARG A 27 5.753 -5.188 9.905 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.137 -7.992 8.229 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.807 -9.103 9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.328 -6.625 11.630 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.780 -8.327 11.493 1.00 0.00 H new ATOM 403 N SER A 28 5.156 -9.094 3.410 1.00 0.00 N ATOM 404 CA SER A 28 5.678 -10.009 2.408 1.00 0.00 C ATOM 405 C SER A 28 5.017 -9.736 1.056 1.00 0.00 C ATOM 406 O SER A 28 5.315 -10.408 0.069 1.00 0.00 O ATOM 407 CB SER A 28 5.457 -11.464 2.824 1.00 0.00 C ATOM 408 OG SER A 28 6.687 -12.162 2.999 1.00 0.00 O ATOM 0 H SER A 28 4.268 -9.376 3.824 1.00 0.00 H new ATOM 0 HA SER A 28 6.752 -9.844 2.319 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.888 -11.493 3.753 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.857 -11.970 2.068 1.00 0.00 H new ATOM 0 HG SER A 28 6.503 -13.087 3.266 1.00 0.00 H new ATOM 414 N LEU A 29 4.133 -8.749 1.053 1.00 0.00 N ATOM 415 CA LEU A 29 3.428 -8.380 -0.163 1.00 0.00 C ATOM 416 C LEU A 29 4.361 -7.566 -1.061 1.00 0.00 C ATOM 417 O LEU A 29 4.741 -6.448 -0.718 1.00 0.00 O ATOM 418 CB LEU A 29 2.119 -7.663 0.174 1.00 0.00 C ATOM 419 CG LEU A 29 0.863 -8.536 0.198 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.396 -7.681 0.352 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.797 -9.437 -1.037 1.00 0.00 C ATOM 0 H LEU A 29 3.889 -8.194 1.873 1.00 0.00 H new ATOM 0 HA LEU A 29 3.142 -9.270 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.228 -7.190 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.968 -6.864 -0.552 1.00 0.00 H new ATOM 0 HG LEU A 29 0.918 -9.189 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.274 -8.326 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.343 -7.120 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.469 -6.987 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.105 -10.047 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.777 -8.821 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.673 -10.086 -1.061 1.00 0.00 H new ATOM 433 N THR A 30 4.705 -8.159 -2.195 1.00 0.00 N ATOM 434 CA THR A 30 5.587 -7.503 -3.146 1.00 0.00 C ATOM 435 C THR A 30 4.973 -6.184 -3.619 1.00 0.00 C ATOM 436 O THR A 30 3.789 -6.128 -3.944 1.00 0.00 O ATOM 437 CB THR A 30 5.869 -8.486 -4.284 1.00 0.00 C ATOM 438 OG1 THR A 30 4.585 -8.744 -4.846 1.00 0.00 O ATOM 439 CG2 THR A 30 6.336 -9.852 -3.777 1.00 0.00 C ATOM 0 H THR A 30 4.389 -9.087 -2.477 1.00 0.00 H new ATOM 0 HA THR A 30 6.538 -7.236 -2.686 1.00 0.00 H new ATOM 0 HB THR A 30 6.627 -8.067 -4.946 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.675 -9.372 -5.593 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.522 -10.511 -4.625 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.254 -9.732 -3.202 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.565 -10.287 -3.142 1.00 0.00 H new ATOM 447 N ILE A 31 5.808 -5.156 -3.643 1.00 0.00 N ATOM 448 CA ILE A 31 5.363 -3.840 -4.072 1.00 0.00 C ATOM 449 C ILE A 31 4.384 -3.993 -5.238 1.00 0.00 C ATOM 450 O ILE A 31 3.401 -3.259 -5.328 1.00 0.00 O ATOM 451 CB ILE A 31 6.563 -2.946 -4.389 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.457 -2.771 -3.160 1.00 0.00 C ATOM 453 CG2 ILE A 31 6.109 -1.602 -4.963 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.657 -2.235 -1.971 1.00 0.00 C ATOM 0 H ILE A 31 6.790 -5.207 -3.373 1.00 0.00 H new ATOM 0 HA ILE A 31 4.825 -3.338 -3.268 1.00 0.00 H new ATOM 0 HB ILE A 31 7.162 -3.438 -5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.910 -3.727 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.272 -2.085 -3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.981 -0.986 -5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.546 -1.770 -5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.475 -1.092 -4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.317 -2.120 -1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.225 -1.268 -2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.858 -2.935 -1.725 1.00 0.00 H new ATOM 466 N ALA A 32 4.688 -4.950 -6.102 1.00 0.00 N ATOM 467 CA ALA A 32 3.847 -5.208 -7.259 1.00 0.00 C ATOM 468 C ALA A 32 2.477 -5.702 -6.788 1.00 0.00 C ATOM 469 O ALA A 32 1.449 -5.141 -7.164 1.00 0.00 O ATOM 470 CB ALA A 32 4.542 -6.211 -8.182 1.00 0.00 C ATOM 0 H ALA A 32 5.505 -5.556 -6.024 1.00 0.00 H new ATOM 0 HA ALA A 32 3.690 -4.293 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.911 -6.405 -9.050 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.497 -5.801 -8.512 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.714 -7.143 -7.643 1.00 0.00 H new ATOM 476 N GLU A 33 2.508 -6.746 -5.973 1.00 0.00 N ATOM 477 CA GLU A 33 1.281 -7.321 -5.448 1.00 0.00 C ATOM 478 C GLU A 33 0.543 -6.298 -4.582 1.00 0.00 C ATOM 479 O GLU A 33 -0.674 -6.153 -4.688 1.00 0.00 O ATOM 480 CB GLU A 33 1.570 -8.600 -4.659 1.00 0.00 C ATOM 481 CG GLU A 33 1.749 -9.795 -5.598 1.00 0.00 C ATOM 482 CD GLU A 33 0.438 -10.566 -5.761 1.00 0.00 C ATOM 483 OE1 GLU A 33 -0.377 -10.128 -6.602 1.00 0.00 O ATOM 484 OE2 GLU A 33 0.280 -11.576 -5.042 1.00 0.00 O ATOM 0 H GLU A 33 3.363 -7.208 -5.663 1.00 0.00 H new ATOM 0 HA GLU A 33 0.639 -7.587 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.470 -8.466 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.752 -8.797 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.094 -9.448 -6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.519 -10.459 -5.205 1.00 0.00 H new ATOM 491 N PHE A 34 1.311 -5.614 -3.746 1.00 0.00 N ATOM 492 CA PHE A 34 0.745 -4.608 -2.863 1.00 0.00 C ATOM 493 C PHE A 34 -0.205 -3.682 -3.625 1.00 0.00 C ATOM 494 O PHE A 34 -1.316 -3.415 -3.168 1.00 0.00 O ATOM 495 CB PHE A 34 1.913 -3.784 -2.318 1.00 0.00 C ATOM 496 CG PHE A 34 1.500 -2.711 -1.308 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.259 -2.743 -0.751 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.373 -1.725 -0.968 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.124 -1.748 0.186 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.989 -0.730 -0.031 1.00 0.00 C ATOM 501 CZ PHE A 34 0.749 -0.762 0.526 1.00 0.00 C ATOM 0 H PHE A 34 2.320 -5.737 -3.662 1.00 0.00 H new ATOM 0 HA PHE A 34 0.179 -5.089 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.629 -4.456 -1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.427 -3.305 -3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.435 -3.525 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.358 -1.699 -1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.109 -1.774 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.682 0.053 0.240 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.457 -0.004 1.238 1.00 0.00 H new ATOM 511 N LYS A 35 0.266 -3.218 -4.773 1.00 0.00 N ATOM 512 CA LYS A 35 -0.529 -2.327 -5.602 1.00 0.00 C ATOM 513 C LYS A 35 -1.790 -3.058 -6.065 1.00 0.00 C ATOM 514 O LYS A 35 -2.898 -2.545 -5.920 1.00 0.00 O ATOM 515 CB LYS A 35 0.315 -1.769 -6.750 1.00 0.00 C ATOM 516 CG LYS A 35 1.546 -1.031 -6.217 1.00 0.00 C ATOM 517 CD LYS A 35 2.673 -1.028 -7.252 1.00 0.00 C ATOM 518 CE LYS A 35 3.742 0.006 -6.894 1.00 0.00 C ATOM 519 NZ LYS A 35 4.523 0.381 -8.094 1.00 0.00 N ATOM 0 H LYS A 35 1.187 -3.442 -5.149 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.856 -1.461 -5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.629 -2.582 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.288 -1.090 -7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.278 -0.006 -5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.891 -1.507 -5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.124 -2.019 -7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.265 -0.808 -8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.271 0.892 -6.468 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.407 -0.399 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.244 1.084 -7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.988 -0.464 -8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.887 0.787 -8.809 1.00 0.00 H new ATOM 533 N CYS A 36 -1.579 -4.246 -6.613 1.00 0.00 N ATOM 534 CA CYS A 36 -2.686 -5.053 -7.099 1.00 0.00 C ATOM 535 C CYS A 36 -3.811 -4.999 -6.063 1.00 0.00 C ATOM 536 O CYS A 36 -4.988 -5.050 -6.416 1.00 0.00 O ATOM 537 CB CYS A 36 -2.251 -6.490 -7.394 1.00 0.00 C ATOM 538 SG CYS A 36 -3.101 -7.105 -8.893 1.00 0.00 S ATOM 0 H CYS A 36 -0.658 -4.669 -6.731 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.045 -4.650 -8.046 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.171 -6.530 -7.536 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.485 -7.131 -6.544 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.239 -6.132 -9.744 1.00 0.00 H new ATOM 544 N LYS A 37 -3.408 -4.898 -4.804 1.00 0.00 N ATOM 545 CA LYS A 37 -4.368 -4.837 -3.715 1.00 0.00 C ATOM 546 C LYS A 37 -5.038 -3.461 -3.708 1.00 0.00 C ATOM 547 O LYS A 37 -6.261 -3.363 -3.622 1.00 0.00 O ATOM 548 CB LYS A 37 -3.697 -5.200 -2.389 1.00 0.00 C ATOM 549 CG LYS A 37 -3.036 -6.578 -2.468 1.00 0.00 C ATOM 550 CD LYS A 37 -3.911 -7.644 -1.805 1.00 0.00 C ATOM 551 CE LYS A 37 -3.441 -9.051 -2.182 1.00 0.00 C ATOM 552 NZ LYS A 37 -4.542 -10.026 -2.017 1.00 0.00 N ATOM 0 H LYS A 37 -2.431 -4.857 -4.515 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.156 -5.576 -3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.949 -4.448 -2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.437 -5.193 -1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.862 -6.843 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.062 -6.547 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.879 -7.524 -0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.949 -7.509 -2.110 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.091 -9.060 -3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.596 -9.338 -1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.207 -10.976 -2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.857 -10.029 -1.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.337 -9.759 -2.632 1.00 0.00 H new ATOM 566 N LEU A 38 -4.207 -2.433 -3.799 1.00 0.00 N ATOM 567 CA LEU A 38 -4.704 -1.068 -3.805 1.00 0.00 C ATOM 568 C LEU A 38 -5.622 -0.868 -5.013 1.00 0.00 C ATOM 569 O LEU A 38 -6.604 -0.132 -4.936 1.00 0.00 O ATOM 570 CB LEU A 38 -3.542 -0.074 -3.744 1.00 0.00 C ATOM 571 CG LEU A 38 -2.462 -0.369 -2.702 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.588 0.863 -2.455 1.00 0.00 C ATOM 573 CD2 LEU A 38 -3.079 -0.902 -1.408 1.00 0.00 C ATOM 0 H LEU A 38 -3.193 -2.518 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.303 -0.878 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.071 -0.036 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.948 0.918 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.813 -1.152 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.828 0.627 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.104 1.158 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.209 1.683 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.289 -1.104 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.765 -0.160 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.623 -1.823 -1.617 1.00 0.00 H new ATOM 585 N GLU A 39 -5.269 -1.538 -6.101 1.00 0.00 N ATOM 586 CA GLU A 39 -6.048 -1.443 -7.323 1.00 0.00 C ATOM 587 C GLU A 39 -7.542 -1.391 -6.998 1.00 0.00 C ATOM 588 O GLU A 39 -8.320 -0.781 -7.730 1.00 0.00 O ATOM 589 CB GLU A 39 -5.733 -2.607 -8.266 1.00 0.00 C ATOM 590 CG GLU A 39 -4.304 -2.505 -8.804 1.00 0.00 C ATOM 591 CD GLU A 39 -4.064 -3.523 -9.920 1.00 0.00 C ATOM 592 OE1 GLU A 39 -5.066 -3.912 -10.558 1.00 0.00 O ATOM 593 OE2 GLU A 39 -2.885 -3.890 -10.109 1.00 0.00 O ATOM 0 H GLU A 39 -4.454 -2.148 -6.161 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.775 -0.520 -7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.860 -3.552 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.439 -2.608 -9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.125 -1.498 -9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.594 -2.674 -7.994 1.00 0.00 H new ATOM 600 N LEU A 40 -7.899 -2.039 -5.898 1.00 0.00 N ATOM 601 CA LEU A 40 -9.286 -2.073 -5.467 1.00 0.00 C ATOM 602 C LEU A 40 -9.559 -0.883 -4.545 1.00 0.00 C ATOM 603 O LEU A 40 -10.549 -0.174 -4.718 1.00 0.00 O ATOM 604 CB LEU A 40 -9.617 -3.428 -4.837 1.00 0.00 C ATOM 605 CG LEU A 40 -9.560 -4.636 -5.774 1.00 0.00 C ATOM 606 CD1 LEU A 40 -9.211 -5.911 -5.005 1.00 0.00 C ATOM 607 CD2 LEU A 40 -10.865 -4.781 -6.561 1.00 0.00 C ATOM 0 H LEU A 40 -7.252 -2.544 -5.293 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.954 -1.973 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.926 -3.601 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.618 -3.372 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.763 -4.469 -6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.177 -6.754 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.238 -5.793 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.969 -6.096 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.798 -5.647 -7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.695 -4.915 -5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.032 -3.884 -7.157 1.00 0.00 H new ATOM 619 N VAL A 41 -8.663 -0.700 -3.586 1.00 0.00 N ATOM 620 CA VAL A 41 -8.795 0.392 -2.638 1.00 0.00 C ATOM 621 C VAL A 41 -9.095 1.687 -3.395 1.00 0.00 C ATOM 622 O VAL A 41 -9.792 2.562 -2.885 1.00 0.00 O ATOM 623 CB VAL A 41 -7.539 0.485 -1.769 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.621 1.677 -0.813 1.00 0.00 C ATOM 625 CG2 VAL A 41 -7.306 -0.818 -1.002 1.00 0.00 C ATOM 0 H VAL A 41 -7.843 -1.290 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.630 0.211 -1.961 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.686 0.643 -2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.716 1.720 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.717 2.598 -1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.488 1.563 -0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.407 -0.726 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.162 -1.019 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.182 -1.639 -1.708 1.00 0.00 H new ATOM 635 N VAL A 42 -8.553 1.768 -4.602 1.00 0.00 N ATOM 636 CA VAL A 42 -8.754 2.941 -5.435 1.00 0.00 C ATOM 637 C VAL A 42 -9.646 2.572 -6.622 1.00 0.00 C ATOM 638 O VAL A 42 -10.414 3.401 -7.108 1.00 0.00 O ATOM 639 CB VAL A 42 -7.402 3.518 -5.860 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.886 4.523 -4.828 1.00 0.00 C ATOM 641 CG2 VAL A 42 -6.381 2.405 -6.100 1.00 0.00 C ATOM 0 H VAL A 42 -7.975 1.040 -5.022 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.266 3.724 -4.875 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.546 4.048 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.924 4.918 -5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.599 5.341 -4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.767 4.027 -3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.429 2.843 -6.401 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.243 1.833 -5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.742 1.744 -6.888 1.00 0.00 H new ATOM 651 N GLY A 43 -9.514 1.326 -7.055 1.00 0.00 N ATOM 652 CA GLY A 43 -10.299 0.837 -8.176 1.00 0.00 C ATOM 653 C GLY A 43 -9.618 1.165 -9.507 1.00 0.00 C ATOM 654 O GLY A 43 -10.282 1.278 -10.536 1.00 0.00 O ATOM 0 H GLY A 43 -8.876 0.641 -6.650 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.433 -0.241 -8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.293 1.285 -8.152 1.00 0.00 H new ATOM 658 N SER A 44 -8.303 1.310 -9.442 1.00 0.00 N ATOM 659 CA SER A 44 -7.525 1.623 -10.629 1.00 0.00 C ATOM 660 C SER A 44 -6.405 0.596 -10.806 1.00 0.00 C ATOM 661 O SER A 44 -6.133 -0.193 -9.903 1.00 0.00 O ATOM 662 CB SER A 44 -6.943 3.036 -10.549 1.00 0.00 C ATOM 663 OG SER A 44 -7.378 3.727 -9.381 1.00 0.00 O ATOM 0 H SER A 44 -7.756 1.217 -8.586 1.00 0.00 H new ATOM 0 HA SER A 44 -8.187 1.581 -11.494 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.854 2.981 -10.553 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.237 3.600 -11.434 1.00 0.00 H new ATOM 0 HG SER A 44 -6.984 4.624 -9.366 1.00 0.00 H new ATOM 669 N PRO A 45 -5.768 0.642 -12.007 1.00 0.00 N ATOM 670 CA PRO A 45 -4.683 -0.274 -12.314 1.00 0.00 C ATOM 671 C PRO A 45 -3.402 0.127 -11.580 1.00 0.00 C ATOM 672 O PRO A 45 -3.074 1.310 -11.499 1.00 0.00 O ATOM 673 CB PRO A 45 -4.542 -0.224 -13.826 1.00 0.00 C ATOM 674 CG PRO A 45 -5.232 1.057 -14.267 1.00 0.00 C ATOM 675 CD PRO A 45 -6.063 1.564 -13.100 1.00 0.00 C ATOM 0 HA PRO A 45 -4.885 -1.292 -11.980 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.493 -0.224 -14.121 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.003 -1.096 -14.290 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.496 1.804 -14.565 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.865 0.870 -15.134 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.795 2.588 -12.838 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.126 1.565 -13.341 1.00 0.00 H new ATOM 683 N ALA A 46 -2.713 -0.880 -11.065 1.00 0.00 N ATOM 684 CA ALA A 46 -1.475 -0.647 -10.340 1.00 0.00 C ATOM 685 C ALA A 46 -0.409 -0.137 -11.312 1.00 0.00 C ATOM 686 O ALA A 46 0.662 0.299 -10.892 1.00 0.00 O ATOM 687 CB ALA A 46 -1.048 -1.933 -9.630 1.00 0.00 C ATOM 0 H ALA A 46 -2.988 -1.860 -11.135 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.617 0.116 -9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.120 -1.758 -9.087 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.826 -2.238 -8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.894 -2.721 -10.367 1.00 0.00 H new ATOM 693 N SER A 47 -0.739 -0.209 -12.594 1.00 0.00 N ATOM 694 CA SER A 47 0.177 0.240 -13.628 1.00 0.00 C ATOM 695 C SER A 47 -0.069 1.718 -13.940 1.00 0.00 C ATOM 696 O SER A 47 0.669 2.324 -14.715 1.00 0.00 O ATOM 697 CB SER A 47 0.029 -0.601 -14.898 1.00 0.00 C ATOM 698 OG SER A 47 1.293 -0.957 -15.453 1.00 0.00 O ATOM 0 H SER A 47 -1.628 -0.571 -12.939 1.00 0.00 H new ATOM 0 HA SER A 47 1.195 0.117 -13.259 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.535 -1.506 -14.670 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.547 -0.044 -15.637 1.00 0.00 H new ATOM 0 HG SER A 47 1.156 -1.494 -16.261 1.00 0.00 H new ATOM 704 N CYS A 48 -1.109 2.255 -13.319 1.00 0.00 N ATOM 705 CA CYS A 48 -1.461 3.651 -13.520 1.00 0.00 C ATOM 706 C CYS A 48 -1.595 4.315 -12.148 1.00 0.00 C ATOM 707 O CYS A 48 -2.342 5.280 -11.992 1.00 0.00 O ATOM 708 CB CYS A 48 -2.736 3.798 -14.353 1.00 0.00 C ATOM 709 SG CYS A 48 -2.554 2.904 -15.940 1.00 0.00 S ATOM 0 H CYS A 48 -1.719 1.749 -12.677 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.675 4.149 -14.088 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.589 3.404 -13.800 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.938 4.853 -14.541 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.643 3.034 -16.638 1.00 0.00 H new ATOM 715 N MET A 49 -0.861 3.771 -11.189 1.00 0.00 N ATOM 716 CA MET A 49 -0.888 4.299 -9.835 1.00 0.00 C ATOM 717 C MET A 49 0.467 4.120 -9.149 1.00 0.00 C ATOM 718 O MET A 49 1.133 3.103 -9.338 1.00 0.00 O ATOM 719 CB MET A 49 -1.969 3.577 -9.028 1.00 0.00 C ATOM 720 CG MET A 49 -1.365 2.870 -7.813 1.00 0.00 C ATOM 721 SD MET A 49 -2.659 2.372 -6.690 1.00 0.00 S ATOM 722 CE MET A 49 -3.646 1.362 -7.782 1.00 0.00 C ATOM 0 H MET A 49 -0.244 2.970 -11.322 1.00 0.00 H new ATOM 0 HA MET A 49 -1.110 5.365 -9.885 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.722 4.293 -8.699 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.476 2.850 -9.662 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.796 1.998 -8.135 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.667 3.535 -7.305 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.997 0.481 -7.245 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.502 1.937 -8.134 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.042 1.051 -8.635 1.00 0.00 H new ATOM 732 N GLU A 50 0.836 5.124 -8.367 1.00 0.00 N ATOM 733 CA GLU A 50 2.100 5.090 -7.651 1.00 0.00 C ATOM 734 C GLU A 50 1.855 5.008 -6.143 1.00 0.00 C ATOM 735 O GLU A 50 0.754 5.293 -5.673 1.00 0.00 O ATOM 736 CB GLU A 50 2.961 6.306 -8.002 1.00 0.00 C ATOM 737 CG GLU A 50 4.439 5.922 -8.093 1.00 0.00 C ATOM 738 CD GLU A 50 4.674 4.910 -9.217 1.00 0.00 C ATOM 739 OE1 GLU A 50 4.382 5.272 -10.377 1.00 0.00 O ATOM 740 OE2 GLU A 50 5.142 3.798 -8.889 1.00 0.00 O ATOM 0 H GLU A 50 0.282 5.966 -8.214 1.00 0.00 H new ATOM 0 HA GLU A 50 2.646 4.198 -7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.632 6.727 -8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.828 7.080 -7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.040 6.814 -8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.768 5.499 -7.144 1.00 0.00 H new ATOM 747 N LEU A 51 2.898 4.617 -5.427 1.00 0.00 N ATOM 748 CA LEU A 51 2.810 4.495 -3.982 1.00 0.00 C ATOM 749 C LEU A 51 3.873 5.383 -3.332 1.00 0.00 C ATOM 750 O LEU A 51 5.003 5.458 -3.814 1.00 0.00 O ATOM 751 CB LEU A 51 2.897 3.026 -3.563 1.00 0.00 C ATOM 752 CG LEU A 51 1.950 2.065 -4.284 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.188 0.621 -3.838 1.00 0.00 C ATOM 754 CD2 LEU A 51 0.491 2.490 -4.098 1.00 0.00 C ATOM 0 H LEU A 51 3.809 4.380 -5.820 1.00 0.00 H new ATOM 0 HA LEU A 51 1.841 4.848 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.920 2.684 -3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.702 2.962 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 51 2.165 2.111 -5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.502 -0.041 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.215 0.335 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.017 0.539 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.161 1.790 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.245 2.492 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.349 3.491 -4.505 1.00 0.00 H new ATOM 766 N GLU A 52 3.474 6.034 -2.249 1.00 0.00 N ATOM 767 CA GLU A 52 4.379 6.914 -1.529 1.00 0.00 C ATOM 768 C GLU A 52 4.501 6.471 -0.070 1.00 0.00 C ATOM 769 O GLU A 52 3.521 6.038 0.535 1.00 0.00 O ATOM 770 CB GLU A 52 3.918 8.370 -1.624 1.00 0.00 C ATOM 771 CG GLU A 52 4.119 8.918 -3.038 1.00 0.00 C ATOM 772 CD GLU A 52 4.586 10.374 -3.000 1.00 0.00 C ATOM 773 OE1 GLU A 52 4.545 10.955 -1.894 1.00 0.00 O ATOM 774 OE2 GLU A 52 4.975 10.874 -4.078 1.00 0.00 O ATOM 0 H GLU A 52 2.536 5.970 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 52 5.364 6.848 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.866 8.441 -1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.475 8.979 -0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.854 8.310 -3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.185 8.846 -3.596 1.00 0.00 H new ATOM 781 N LEU A 53 5.712 6.595 0.453 1.00 0.00 N ATOM 782 CA LEU A 53 5.974 6.213 1.830 1.00 0.00 C ATOM 783 C LEU A 53 6.320 7.461 2.645 1.00 0.00 C ATOM 784 O LEU A 53 7.399 8.029 2.489 1.00 0.00 O ATOM 785 CB LEU A 53 7.048 5.124 1.889 1.00 0.00 C ATOM 786 CG LEU A 53 7.562 4.763 3.284 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.453 4.135 4.131 1.00 0.00 C ATOM 788 CD2 LEU A 53 8.796 3.863 3.198 1.00 0.00 C ATOM 0 H LEU A 53 6.522 6.954 -0.052 1.00 0.00 H new ATOM 0 HA LEU A 53 5.083 5.775 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.648 4.222 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.895 5.444 1.283 1.00 0.00 H new ATOM 0 HG LEU A 53 7.868 5.682 3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.845 3.888 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.630 4.842 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.094 3.228 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.141 3.621 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.540 2.944 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.588 4.382 2.658 1.00 0.00 H new ATOM 800 N TYR A 54 5.382 7.851 3.496 1.00 0.00 N ATOM 801 CA TYR A 54 5.573 9.022 4.335 1.00 0.00 C ATOM 802 C TYR A 54 5.945 8.618 5.763 1.00 0.00 C ATOM 803 O TYR A 54 5.579 7.537 6.221 1.00 0.00 O ATOM 804 CB TYR A 54 4.228 9.749 4.357 1.00 0.00 C ATOM 805 CG TYR A 54 3.903 10.497 3.062 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.393 9.810 1.979 1.00 0.00 C ATOM 807 CD2 TYR A 54 4.119 11.857 2.978 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.087 10.514 0.760 1.00 0.00 C ATOM 809 CE2 TYR A 54 3.814 12.561 1.759 1.00 0.00 C ATOM 810 CZ TYR A 54 3.313 11.854 0.710 1.00 0.00 C ATOM 811 OH TYR A 54 3.024 12.519 -0.441 1.00 0.00 O ATOM 0 H TYR A 54 4.488 7.377 3.622 1.00 0.00 H new ATOM 0 HA TYR A 54 6.378 9.645 3.947 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.438 9.024 4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.223 10.458 5.185 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.223 8.745 2.045 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.517 12.394 3.826 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.687 9.989 -0.095 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.979 13.625 1.679 1.00 0.00 H new ATOM 0 HH TYR A 54 3.551 12.144 -1.177 1.00 0.00 H new ATOM 821 N GLY A 55 6.668 9.509 6.427 1.00 0.00 N ATOM 822 CA GLY A 55 7.093 9.259 7.793 1.00 0.00 C ATOM 823 C GLY A 55 5.932 9.448 8.772 1.00 0.00 C ATOM 824 O GLY A 55 4.838 8.933 8.550 1.00 0.00 O ATOM 0 H GLY A 55 6.970 10.405 6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.482 8.244 7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.907 9.935 8.054 1.00 0.00 H new ATOM 828 N ALA A 56 6.211 10.190 9.834 1.00 0.00 N ATOM 829 CA ALA A 56 5.204 10.454 10.848 1.00 0.00 C ATOM 830 C ALA A 56 4.472 11.753 10.507 1.00 0.00 C ATOM 831 O ALA A 56 3.310 11.728 10.103 1.00 0.00 O ATOM 832 CB ALA A 56 5.866 10.502 12.226 1.00 0.00 C ATOM 0 H ALA A 56 7.120 10.617 10.014 1.00 0.00 H new ATOM 0 HA ALA A 56 4.464 9.654 10.871 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.110 10.700 12.986 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.346 9.546 12.432 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.614 11.295 12.243 1.00 0.00 H new ATOM 838 N ASP A 57 5.181 12.858 10.682 1.00 0.00 N ATOM 839 CA ASP A 57 4.614 14.165 10.398 1.00 0.00 C ATOM 840 C ASP A 57 4.541 14.366 8.883 1.00 0.00 C ATOM 841 O ASP A 57 5.110 15.319 8.351 1.00 0.00 O ATOM 842 CB ASP A 57 5.481 15.281 10.982 1.00 0.00 C ATOM 843 CG ASP A 57 6.990 15.052 10.873 1.00 0.00 C ATOM 844 OD1 ASP A 57 7.535 15.368 9.793 1.00 0.00 O ATOM 845 OD2 ASP A 57 7.564 14.566 11.871 1.00 0.00 O ATOM 0 H ASP A 57 6.144 12.875 11.017 1.00 0.00 H new ATOM 0 HA ASP A 57 3.622 14.207 10.848 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.233 16.215 10.477 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.223 15.408 12.033 1.00 0.00 H new ATOM 850 N ASP A 58 3.836 13.454 8.230 1.00 0.00 N ATOM 851 CA ASP A 58 3.682 13.520 6.786 1.00 0.00 C ATOM 852 C ASP A 58 5.000 13.974 6.157 1.00 0.00 C ATOM 853 O ASP A 58 5.055 15.018 5.509 1.00 0.00 O ATOM 854 CB ASP A 58 2.599 14.526 6.393 1.00 0.00 C ATOM 855 CG ASP A 58 1.192 14.188 6.890 1.00 0.00 C ATOM 856 OD1 ASP A 58 1.076 13.866 8.092 1.00 0.00 O ATOM 857 OD2 ASP A 58 0.263 14.259 6.056 1.00 0.00 O ATOM 0 H ASP A 58 3.365 12.665 8.674 1.00 0.00 H new ATOM 0 HA ASP A 58 3.399 12.529 6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.878 15.507 6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.575 14.605 5.306 1.00 0.00 H new ATOM 862 N LYS A 59 6.030 13.168 6.370 1.00 0.00 N ATOM 863 CA LYS A 59 7.344 13.474 5.832 1.00 0.00 C ATOM 864 C LYS A 59 7.753 12.381 4.843 1.00 0.00 C ATOM 865 O LYS A 59 8.012 11.245 5.239 1.00 0.00 O ATOM 866 CB LYS A 59 8.351 13.687 6.964 1.00 0.00 C ATOM 867 CG LYS A 59 9.774 13.369 6.500 1.00 0.00 C ATOM 868 CD LYS A 59 10.249 14.380 5.455 1.00 0.00 C ATOM 869 CE LYS A 59 11.706 14.122 5.066 1.00 0.00 C ATOM 870 NZ LYS A 59 12.221 15.226 4.224 1.00 0.00 N ATOM 0 H LYS A 59 5.981 12.303 6.908 1.00 0.00 H new ATOM 0 HA LYS A 59 7.319 14.413 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.300 14.719 7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.091 13.052 7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.450 13.380 7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.807 12.364 6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.616 14.318 4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.148 15.391 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.317 14.026 5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.783 13.178 4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.211 15.035 3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.648 15.299 3.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.166 16.120 4.752 1.00 0.00 H new ATOM 884 N PHE A 60 7.799 12.761 3.574 1.00 0.00 N ATOM 885 CA PHE A 60 8.172 11.827 2.526 1.00 0.00 C ATOM 886 C PHE A 60 9.510 11.155 2.841 1.00 0.00 C ATOM 887 O PHE A 60 10.445 11.810 3.301 1.00 0.00 O ATOM 888 CB PHE A 60 8.313 12.636 1.235 1.00 0.00 C ATOM 889 CG PHE A 60 8.783 11.814 0.033 1.00 0.00 C ATOM 890 CD1 PHE A 60 7.888 11.079 -0.680 1.00 0.00 C ATOM 891 CD2 PHE A 60 10.096 11.819 -0.322 1.00 0.00 C ATOM 892 CE1 PHE A 60 8.325 10.316 -1.795 1.00 0.00 C ATOM 893 CE2 PHE A 60 10.532 11.056 -1.437 1.00 0.00 C ATOM 894 CZ PHE A 60 9.638 10.320 -2.150 1.00 0.00 C ATOM 0 H PHE A 60 7.584 13.703 3.248 1.00 0.00 H new ATOM 0 HA PHE A 60 7.416 11.047 2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.352 13.091 0.997 1.00 0.00 H new ATOM 0 HB3 PHE A 60 9.018 13.450 1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.845 11.076 -0.398 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.807 12.403 0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.614 9.732 -2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 60 11.574 11.060 -1.719 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.970 9.739 -2.998 1.00 0.00 H new ATOM 904 N TYR A 61 9.560 9.857 2.581 1.00 0.00 N ATOM 905 CA TYR A 61 10.768 9.089 2.831 1.00 0.00 C ATOM 906 C TYR A 61 11.361 8.560 1.524 1.00 0.00 C ATOM 907 O TYR A 61 12.424 9.006 1.094 1.00 0.00 O ATOM 908 CB TYR A 61 10.342 7.905 3.701 1.00 0.00 C ATOM 909 CG TYR A 61 10.342 8.203 5.201 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.430 9.507 5.646 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.255 7.169 6.111 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.430 9.787 7.058 1.00 0.00 C ATOM 913 CE2 TYR A 61 10.255 7.449 7.523 1.00 0.00 C ATOM 914 CZ TYR A 61 10.343 8.745 7.927 1.00 0.00 C ATOM 915 OH TYR A 61 10.343 9.010 9.261 1.00 0.00 O ATOM 0 H TYR A 61 8.783 9.317 2.200 1.00 0.00 H new ATOM 0 HA TYR A 61 11.525 9.709 3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.342 7.590 3.404 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.011 7.066 3.508 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.499 10.317 4.935 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.187 6.149 5.763 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.498 10.803 7.419 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.187 6.649 8.245 1.00 0.00 H new ATOM 0 HH TYR A 61 10.275 8.170 9.761 1.00 0.00 H new ATOM 925 N SER A 62 10.649 7.615 0.928 1.00 0.00 N ATOM 926 CA SER A 62 11.092 7.019 -0.321 1.00 0.00 C ATOM 927 C SER A 62 9.883 6.666 -1.190 1.00 0.00 C ATOM 928 O SER A 62 8.740 6.833 -0.767 1.00 0.00 O ATOM 929 CB SER A 62 11.944 5.774 -0.067 1.00 0.00 C ATOM 930 OG SER A 62 13.198 6.098 0.528 1.00 0.00 O ATOM 0 H SER A 62 9.768 7.247 1.287 1.00 0.00 H new ATOM 0 HA SER A 62 11.710 7.747 -0.846 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.400 5.089 0.583 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.114 5.252 -1.009 1.00 0.00 H new ATOM 0 HG SER A 62 13.712 5.277 0.676 1.00 0.00 H new ATOM 936 N LYS A 63 10.177 6.185 -2.389 1.00 0.00 N ATOM 937 CA LYS A 63 9.128 5.807 -3.321 1.00 0.00 C ATOM 938 C LYS A 63 9.187 4.298 -3.565 1.00 0.00 C ATOM 939 O LYS A 63 10.270 3.724 -3.664 1.00 0.00 O ATOM 940 CB LYS A 63 9.223 6.641 -4.601 1.00 0.00 C ATOM 941 CG LYS A 63 8.690 8.057 -4.374 1.00 0.00 C ATOM 942 CD LYS A 63 7.393 8.286 -5.152 1.00 0.00 C ATOM 943 CE LYS A 63 7.588 9.335 -6.248 1.00 0.00 C ATOM 944 NZ LYS A 63 6.280 9.831 -6.730 1.00 0.00 N ATOM 0 H LYS A 63 11.126 6.048 -2.737 1.00 0.00 H new ATOM 0 HA LYS A 63 8.147 6.023 -2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.260 6.688 -4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.656 6.158 -5.397 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.513 8.217 -3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.439 8.785 -4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.061 7.348 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.608 8.610 -4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.179 10.166 -5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.148 8.903 -7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.431 10.590 -7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.757 9.052 -7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.732 10.201 -5.927 1.00 0.00 H new ATOM 958 N LEU A 64 8.009 3.698 -3.653 1.00 0.00 N ATOM 959 CA LEU A 64 7.913 2.267 -3.883 1.00 0.00 C ATOM 960 C LEU A 64 7.914 1.995 -5.388 1.00 0.00 C ATOM 961 O LEU A 64 6.990 1.373 -5.911 1.00 0.00 O ATOM 962 CB LEU A 64 6.700 1.687 -3.153 1.00 0.00 C ATOM 963 CG LEU A 64 6.662 1.902 -1.639 1.00 0.00 C ATOM 964 CD1 LEU A 64 8.056 2.219 -1.095 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.641 2.978 -1.263 1.00 0.00 C ATOM 0 H LEU A 64 7.113 4.177 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 64 8.781 1.755 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.799 2.123 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.661 0.615 -3.349 1.00 0.00 H new ATOM 0 HG LEU A 64 6.337 0.973 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.001 2.367 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.729 1.390 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.433 3.126 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.634 3.111 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.911 3.919 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.650 2.672 -1.597 1.00 0.00 H new ATOM 977 N ASP A 65 8.960 2.475 -6.044 1.00 0.00 N ATOM 978 CA ASP A 65 9.093 2.292 -7.479 1.00 0.00 C ATOM 979 C ASP A 65 9.348 0.813 -7.779 1.00 0.00 C ATOM 980 O ASP A 65 8.809 0.269 -8.740 1.00 0.00 O ATOM 981 CB ASP A 65 10.272 3.096 -8.030 1.00 0.00 C ATOM 982 CG ASP A 65 10.615 2.819 -9.495 1.00 0.00 C ATOM 983 OD1 ASP A 65 11.395 1.870 -9.726 1.00 0.00 O ATOM 984 OD2 ASP A 65 10.089 3.562 -10.352 1.00 0.00 O ATOM 0 H ASP A 65 9.724 2.991 -5.608 1.00 0.00 H new ATOM 0 HA ASP A 65 8.171 2.635 -7.949 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.052 4.158 -7.918 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.151 2.887 -7.421 1.00 0.00 H new ATOM 989 N GLN A 66 10.171 0.206 -6.937 1.00 0.00 N ATOM 990 CA GLN A 66 10.505 -1.199 -7.099 1.00 0.00 C ATOM 991 C GLN A 66 9.265 -2.068 -6.881 1.00 0.00 C ATOM 992 O GLN A 66 8.560 -1.911 -5.885 1.00 0.00 O ATOM 993 CB GLN A 66 11.634 -1.608 -6.151 1.00 0.00 C ATOM 994 CG GLN A 66 12.878 -2.036 -6.933 1.00 0.00 C ATOM 995 CD GLN A 66 13.775 -0.835 -7.238 1.00 0.00 C ATOM 996 OE1 GLN A 66 13.333 0.199 -7.712 1.00 0.00 O ATOM 997 NE2 GLN A 66 15.057 -1.028 -6.940 1.00 0.00 N ATOM 0 H GLN A 66 10.617 0.661 -6.140 1.00 0.00 H new ATOM 0 HA GLN A 66 10.858 -1.352 -8.119 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.882 -0.774 -5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.300 -2.427 -5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.437 -2.775 -6.358 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.579 -2.517 -7.864 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.360 -1.918 -6.545 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.737 -0.286 -7.106 1.00 0.00 H new ATOM 1006 N GLU A 67 9.036 -2.965 -7.828 1.00 0.00 N ATOM 1007 CA GLU A 67 7.893 -3.859 -7.752 1.00 0.00 C ATOM 1008 C GLU A 67 8.290 -5.173 -7.074 1.00 0.00 C ATOM 1009 O GLU A 67 7.504 -5.752 -6.326 1.00 0.00 O ATOM 1010 CB GLU A 67 7.303 -4.115 -9.140 1.00 0.00 C ATOM 1011 CG GLU A 67 8.010 -5.283 -9.829 1.00 0.00 C ATOM 1012 CD GLU A 67 7.840 -5.208 -11.348 1.00 0.00 C ATOM 1013 OE1 GLU A 67 8.593 -4.424 -11.965 1.00 0.00 O ATOM 1014 OE2 GLU A 67 6.961 -5.936 -11.858 1.00 0.00 O ATOM 0 H GLU A 67 9.623 -3.092 -8.653 1.00 0.00 H new ATOM 0 HA GLU A 67 7.122 -3.380 -7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.238 -4.330 -9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.397 -3.217 -9.750 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.070 -5.270 -9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.606 -6.226 -9.460 1.00 0.00 H new ATOM 1021 N ASP A 68 9.510 -5.604 -7.361 1.00 0.00 N ATOM 1022 CA ASP A 68 10.021 -6.838 -6.789 1.00 0.00 C ATOM 1023 C ASP A 68 10.209 -6.656 -5.282 1.00 0.00 C ATOM 1024 O ASP A 68 10.159 -7.625 -4.525 1.00 0.00 O ATOM 1025 CB ASP A 68 11.377 -7.205 -7.395 1.00 0.00 C ATOM 1026 CG ASP A 68 11.344 -7.575 -8.879 1.00 0.00 C ATOM 1027 OD1 ASP A 68 10.898 -6.715 -9.668 1.00 0.00 O ATOM 1028 OD2 ASP A 68 11.766 -8.710 -9.190 1.00 0.00 O ATOM 0 H ASP A 68 10.159 -5.121 -7.982 1.00 0.00 H new ATOM 0 HA ASP A 68 9.305 -7.632 -7.002 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.057 -6.364 -7.261 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.793 -8.044 -6.836 1.00 0.00 H new ATOM 1033 N ALA A 69 10.423 -5.409 -4.890 1.00 0.00 N ATOM 1034 CA ALA A 69 10.619 -5.088 -3.487 1.00 0.00 C ATOM 1035 C ALA A 69 9.455 -5.654 -2.671 1.00 0.00 C ATOM 1036 O ALA A 69 8.471 -6.132 -3.235 1.00 0.00 O ATOM 1037 CB ALA A 69 10.762 -3.574 -3.324 1.00 0.00 C ATOM 0 H ALA A 69 10.465 -4.608 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 69 11.536 -5.544 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.909 -3.334 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.620 -3.226 -3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.859 -3.082 -3.686 1.00 0.00 H new ATOM 1043 N LEU A 70 9.605 -5.583 -1.357 1.00 0.00 N ATOM 1044 CA LEU A 70 8.578 -6.082 -0.458 1.00 0.00 C ATOM 1045 C LEU A 70 8.333 -5.055 0.650 1.00 0.00 C ATOM 1046 O LEU A 70 9.246 -4.333 1.045 1.00 0.00 O ATOM 1047 CB LEU A 70 8.952 -7.471 0.063 1.00 0.00 C ATOM 1048 CG LEU A 70 9.513 -8.447 -0.972 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.431 -9.479 -0.313 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.387 -9.109 -1.770 1.00 0.00 C ATOM 0 H LEU A 70 10.422 -5.187 -0.893 1.00 0.00 H new ATOM 0 HA LEU A 70 7.635 -6.209 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.688 -7.353 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.066 -7.919 0.513 1.00 0.00 H new ATOM 0 HG LEU A 70 10.120 -7.881 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.816 -10.160 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.263 -8.969 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.869 -10.044 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.814 -9.798 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.734 -9.658 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.810 -8.344 -2.289 1.00 0.00 H new ATOM 1062 N LEU A 71 7.094 -5.024 1.119 1.00 0.00 N ATOM 1063 CA LEU A 71 6.717 -4.098 2.173 1.00 0.00 C ATOM 1064 C LEU A 71 7.528 -4.407 3.433 1.00 0.00 C ATOM 1065 O LEU A 71 7.369 -5.470 4.032 1.00 0.00 O ATOM 1066 CB LEU A 71 5.203 -4.125 2.394 1.00 0.00 C ATOM 1067 CG LEU A 71 4.463 -2.813 2.130 1.00 0.00 C ATOM 1068 CD1 LEU A 71 2.991 -2.922 2.535 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.161 -1.640 2.820 1.00 0.00 C ATOM 0 H LEU A 71 6.339 -5.625 0.789 1.00 0.00 H new ATOM 0 HA LEU A 71 6.956 -3.075 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.776 -4.895 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.012 -4.426 3.424 1.00 0.00 H new ATOM 0 HG LEU A 71 4.489 -2.617 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.488 -1.975 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.513 -3.714 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.922 -3.154 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.614 -0.720 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.188 -1.815 3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.179 -1.549 2.441 1.00 0.00 H new ATOM 1081 N GLY A 72 8.380 -3.461 3.797 1.00 0.00 N ATOM 1082 CA GLY A 72 9.216 -3.619 4.975 1.00 0.00 C ATOM 1083 C GLY A 72 10.641 -3.132 4.705 1.00 0.00 C ATOM 1084 O GLY A 72 11.151 -2.268 5.416 1.00 0.00 O ATOM 0 H GLY A 72 8.510 -2.582 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.788 -3.059 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.236 -4.667 5.273 1.00 0.00 H new ATOM 1088 N SER A 73 11.244 -3.707 3.675 1.00 0.00 N ATOM 1089 CA SER A 73 12.600 -3.343 3.302 1.00 0.00 C ATOM 1090 C SER A 73 12.757 -1.821 3.320 1.00 0.00 C ATOM 1091 O SER A 73 13.860 -1.308 3.504 1.00 0.00 O ATOM 1092 CB SER A 73 12.960 -3.897 1.922 1.00 0.00 C ATOM 1093 OG SER A 73 12.949 -2.884 0.920 1.00 0.00 O ATOM 0 H SER A 73 10.818 -4.423 3.087 1.00 0.00 H new ATOM 0 HA SER A 73 13.284 -3.781 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.948 -4.356 1.962 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.254 -4.682 1.651 1.00 0.00 H new ATOM 0 HG SER A 73 13.186 -3.278 0.054 1.00 0.00 H new ATOM 1099 N TYR A 74 11.636 -1.140 3.125 1.00 0.00 N ATOM 1100 CA TYR A 74 11.635 0.312 3.117 1.00 0.00 C ATOM 1101 C TYR A 74 11.472 0.869 4.533 1.00 0.00 C ATOM 1102 O TYR A 74 11.163 0.127 5.464 1.00 0.00 O ATOM 1103 CB TYR A 74 10.426 0.728 2.276 1.00 0.00 C ATOM 1104 CG TYR A 74 10.674 0.688 0.767 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.514 1.613 0.181 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.058 -0.274 -0.008 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.747 1.576 -1.240 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.292 -0.311 -1.429 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.125 0.615 -1.974 1.00 0.00 C ATOM 1110 OH TYR A 74 11.345 0.580 -3.316 1.00 0.00 O ATOM 0 H TYR A 74 10.723 -1.568 2.971 1.00 0.00 H new ATOM 0 HA TYR A 74 12.574 0.694 2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.588 0.072 2.514 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.130 1.738 2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.997 2.365 0.788 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.401 -0.998 0.451 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.401 2.295 -1.712 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.816 -1.058 -2.048 1.00 0.00 H new ATOM 0 HH TYR A 74 12.203 0.142 -3.496 1.00 0.00 H new ATOM 1120 N PRO A 75 11.692 2.206 4.654 1.00 0.00 N ATOM 1121 CA PRO A 75 11.573 2.870 5.940 1.00 0.00 C ATOM 1122 C PRO A 75 10.105 3.042 6.335 1.00 0.00 C ATOM 1123 O PRO A 75 9.655 4.156 6.597 1.00 0.00 O ATOM 1124 CB PRO A 75 12.301 4.194 5.768 1.00 0.00 C ATOM 1125 CG PRO A 75 12.397 4.425 4.269 1.00 0.00 C ATOM 1126 CD PRO A 75 12.060 3.116 3.573 1.00 0.00 C ATOM 0 HA PRO A 75 12.011 2.292 6.754 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.758 5.004 6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.291 4.157 6.222 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.708 5.211 3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.400 4.755 3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.240 3.243 2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.912 2.737 3.009 1.00 0.00 H new ATOM 1134 N VAL A 76 9.399 1.921 6.365 1.00 0.00 N ATOM 1135 CA VAL A 76 7.991 1.934 6.723 1.00 0.00 C ATOM 1136 C VAL A 76 7.823 1.368 8.135 1.00 0.00 C ATOM 1137 O VAL A 76 8.796 0.946 8.758 1.00 0.00 O ATOM 1138 CB VAL A 76 7.177 1.174 5.673 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.343 -0.338 5.840 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.701 1.573 5.730 1.00 0.00 C ATOM 0 H VAL A 76 9.776 0.998 6.147 1.00 0.00 H new ATOM 0 HA VAL A 76 7.609 2.955 6.734 1.00 0.00 H new ATOM 0 HB VAL A 76 7.560 1.447 4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.754 -0.855 5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.394 -0.603 5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.999 -0.635 6.831 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.145 1.019 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.300 1.343 6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.605 2.642 5.540 1.00 0.00 H new ATOM 1150 N ASP A 77 6.582 1.376 8.597 1.00 0.00 N ATOM 1151 CA ASP A 77 6.274 0.869 9.924 1.00 0.00 C ATOM 1152 C ASP A 77 4.770 0.993 10.176 1.00 0.00 C ATOM 1153 O ASP A 77 4.095 1.803 9.543 1.00 0.00 O ATOM 1154 CB ASP A 77 7.002 1.672 11.003 1.00 0.00 C ATOM 1155 CG ASP A 77 8.373 1.122 11.403 1.00 0.00 C ATOM 1156 OD1 ASP A 77 8.685 -0.003 10.958 1.00 0.00 O ATOM 1157 OD2 ASP A 77 9.078 1.840 12.145 1.00 0.00 O ATOM 0 H ASP A 77 5.777 1.725 8.077 1.00 0.00 H new ATOM 0 HA ASP A 77 6.596 -0.171 9.971 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.127 2.696 10.651 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.371 1.715 11.891 1.00 0.00 H new ATOM 1162 N ASP A 78 4.289 0.177 11.103 1.00 0.00 N ATOM 1163 CA ASP A 78 2.877 0.185 11.447 1.00 0.00 C ATOM 1164 C ASP A 78 2.487 1.577 11.948 1.00 0.00 C ATOM 1165 O ASP A 78 2.700 1.904 13.115 1.00 0.00 O ATOM 1166 CB ASP A 78 2.576 -0.819 12.561 1.00 0.00 C ATOM 1167 CG ASP A 78 3.587 -0.835 13.709 1.00 0.00 C ATOM 1168 OD1 ASP A 78 4.628 -0.160 13.557 1.00 0.00 O ATOM 1169 OD2 ASP A 78 3.296 -1.521 14.712 1.00 0.00 O ATOM 0 H ASP A 78 4.852 -0.494 11.626 1.00 0.00 H new ATOM 0 HA ASP A 78 2.311 -0.085 10.555 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.589 -0.601 12.969 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.527 -1.817 12.126 1.00 0.00 H new ATOM 1174 N GLY A 79 1.922 2.361 11.041 1.00 0.00 N ATOM 1175 CA GLY A 79 1.499 3.710 11.377 1.00 0.00 C ATOM 1176 C GLY A 79 1.853 4.689 10.255 1.00 0.00 C ATOM 1177 O GLY A 79 1.366 5.819 10.237 1.00 0.00 O ATOM 0 H GLY A 79 1.747 2.088 10.074 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.423 3.725 11.552 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.977 4.025 12.304 1.00 0.00 H new ATOM 1181 N CYS A 80 2.697 4.221 9.348 1.00 0.00 N ATOM 1182 CA CYS A 80 3.121 5.041 8.226 1.00 0.00 C ATOM 1183 C CYS A 80 1.886 5.391 7.393 1.00 0.00 C ATOM 1184 O CYS A 80 0.760 5.104 7.795 1.00 0.00 O ATOM 1185 CB CYS A 80 4.195 4.344 7.390 1.00 0.00 C ATOM 1186 SG CYS A 80 5.859 4.856 7.954 1.00 0.00 S ATOM 0 H CYS A 80 3.099 3.284 9.367 1.00 0.00 H new ATOM 0 HA CYS A 80 3.580 5.958 8.595 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.090 3.263 7.476 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.066 4.594 6.337 1.00 0.00 H new ATOM 0 HG CYS A 80 6.152 6.016 7.445 1.00 0.00 H new ATOM 1192 N ARG A 81 2.140 6.006 6.247 1.00 0.00 N ATOM 1193 CA ARG A 81 1.063 6.398 5.353 1.00 0.00 C ATOM 1194 C ARG A 81 1.430 6.069 3.905 1.00 0.00 C ATOM 1195 O ARG A 81 2.522 6.402 3.446 1.00 0.00 O ATOM 1196 CB ARG A 81 0.767 7.894 5.471 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.317 8.318 4.478 1.00 0.00 C ATOM 1198 CD ARG A 81 -0.678 9.794 4.657 1.00 0.00 C ATOM 1199 NE ARG A 81 -0.773 10.121 6.098 1.00 0.00 N ATOM 1200 CZ ARG A 81 0.266 10.504 6.851 1.00 0.00 C ATOM 1201 NH1 ARG A 81 1.485 10.612 6.307 1.00 0.00 N ATOM 1202 NH2 ARG A 81 0.086 10.781 8.150 1.00 0.00 N ATOM 0 H ARG A 81 3.076 6.242 5.917 1.00 0.00 H new ATOM 0 HA ARG A 81 0.172 5.840 5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.446 8.126 6.486 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.677 8.464 5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.031 8.146 3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.206 7.703 4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.076 10.422 4.182 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.626 10.007 4.164 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.687 10.050 6.545 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.623 10.402 5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.276 10.904 6.881 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.842 10.700 8.565 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.877 11.073 8.724 1.00 0.00 H new ATOM 1216 N ILE A 82 0.496 5.420 3.224 1.00 0.00 N ATOM 1217 CA ILE A 82 0.707 5.044 1.837 1.00 0.00 C ATOM 1218 C ILE A 82 -0.263 5.824 0.948 1.00 0.00 C ATOM 1219 O ILE A 82 -1.433 5.461 0.832 1.00 0.00 O ATOM 1220 CB ILE A 82 0.607 3.526 1.673 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.752 2.819 2.401 1.00 0.00 C ATOM 1222 CG2 ILE A 82 0.541 3.137 0.194 1.00 0.00 C ATOM 1223 CD1 ILE A 82 3.081 3.038 1.676 1.00 0.00 C ATOM 0 H ILE A 82 -0.408 5.145 3.608 1.00 0.00 H new ATOM 0 HA ILE A 82 1.715 5.310 1.519 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.322 3.193 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.825 3.194 3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.541 1.752 2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.470 2.053 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.335 3.596 -0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.441 3.485 -0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.878 2.525 2.214 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.013 2.641 0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.301 4.105 1.633 1.00 0.00 H new ATOM 1235 N HIS A 83 0.258 6.880 0.342 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.547 7.715 -0.533 1.00 0.00 C ATOM 1237 C HIS A 83 -0.427 7.213 -1.974 1.00 0.00 C ATOM 1238 O HIS A 83 0.679 7.022 -2.478 1.00 0.00 O ATOM 1239 CB HIS A 83 -0.163 9.188 -0.385 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.990 10.127 -1.231 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -2.092 10.804 -0.739 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.863 10.494 -2.538 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.599 11.542 -1.716 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.836 11.348 -2.830 1.00 0.00 N ATOM 0 H HIS A 83 1.229 7.177 0.440 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.596 7.643 -0.245 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.263 9.475 0.662 1.00 0.00 H new ATOM 0 HB3 HIS A 83 0.888 9.307 -0.650 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.100 10.148 -3.220 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.464 12.184 -1.643 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.988 11.787 -3.738 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.580 7.014 -2.595 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.618 6.538 -3.968 1.00 0.00 C ATOM 1254 C VAL A 84 -1.746 7.734 -4.914 1.00 0.00 C ATOM 1255 O VAL A 84 -2.507 8.663 -4.647 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.746 5.518 -4.137 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.042 5.269 -5.617 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.415 4.210 -3.416 1.00 0.00 C ATOM 0 H VAL A 84 -2.495 7.174 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.691 6.022 -4.220 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.645 5.933 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.847 4.540 -5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.342 6.204 -6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.147 4.885 -6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.233 3.503 -3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.498 3.789 -3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.277 4.405 -2.353 1.00 0.00 H new ATOM 1268 N ILE A 85 -0.990 7.672 -6.000 1.00 0.00 N ATOM 1269 CA ILE A 85 -1.010 8.738 -6.987 1.00 0.00 C ATOM 1270 C ILE A 85 -1.765 8.262 -8.230 1.00 0.00 C ATOM 1271 O ILE A 85 -1.227 7.503 -9.035 1.00 0.00 O ATOM 1272 CB ILE A 85 0.411 9.224 -7.279 1.00 0.00 C ATOM 1273 CG1 ILE A 85 1.053 9.826 -6.028 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.426 10.200 -8.458 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.579 9.762 -6.109 1.00 0.00 C ATOM 0 H ILE A 85 -0.360 6.900 -6.218 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.546 9.605 -6.601 1.00 0.00 H new ATOM 0 HB ILE A 85 1.014 8.363 -7.567 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.735 10.862 -5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.709 9.288 -5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.448 10.530 -8.644 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.038 9.703 -9.347 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.197 11.063 -8.224 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.010 10.197 -5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.895 8.723 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.921 10.321 -6.980 1.00 0.00 H new ATOM 1287 N ASP A 86 -2.999 8.729 -8.349 1.00 0.00 N ATOM 1288 CA ASP A 86 -3.833 8.361 -9.480 1.00 0.00 C ATOM 1289 C ASP A 86 -3.101 8.702 -10.780 1.00 0.00 C ATOM 1290 O ASP A 86 -3.075 9.859 -11.196 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.154 9.133 -9.465 1.00 0.00 C ATOM 1292 CG ASP A 86 -5.014 10.651 -9.335 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -4.721 11.099 -8.206 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -5.205 11.329 -10.368 1.00 0.00 O ATOM 0 H ASP A 86 -3.441 9.359 -7.680 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.039 7.293 -9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.698 8.911 -10.383 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.762 8.767 -8.638 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.526 7.673 -11.385 1.00 0.00 N ATOM 1300 CA HIS A 87 -1.796 7.850 -12.629 1.00 0.00 C ATOM 1301 C HIS A 87 -2.652 7.363 -13.800 1.00 0.00 C ATOM 1302 O HIS A 87 -2.124 6.930 -14.822 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.434 7.156 -12.562 1.00 0.00 C ATOM 1304 CG HIS A 87 0.720 8.093 -12.294 1.00 0.00 C ATOM 1305 ND1 HIS A 87 0.811 9.352 -12.861 1.00 0.00 N ATOM 1306 CD2 HIS A 87 1.828 7.941 -11.513 1.00 0.00 C ATOM 1307 CE1 HIS A 87 1.928 9.923 -12.435 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.557 9.047 -11.600 1.00 0.00 N ATOM 0 H HIS A 87 -2.551 6.714 -11.037 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.593 8.909 -12.788 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.462 6.398 -11.780 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.256 6.636 -13.503 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.071 7.069 -10.924 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.279 10.909 -12.702 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.442 9.214 -11.121 1.00 0.00 H new