USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 901 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 98 LYS NZ :NH3+ -160:sc=-0.000484 (180deg=0) USER MOD Set 1.2: A 111 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.75) USER MOD Set 2.1: A 41 GLN : amide:sc= -2.16 K(o=-0.98,f=-17!) USER MOD Set 2.2: A 42 THR OG1 : rot -24:sc= 1.18 USER MOD Single : A 8 GLN : amide:sc= 0.181 K(o=0.18,f=-3.9!) USER MOD Single : A 10 SER OG : rot -170:sc= -1.42 USER MOD Single : A 11 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0406) USER MOD Single : A 14 ASN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0222) USER MOD Single : A 22 SER OG : rot 117:sc= 2.04 USER MOD Single : A 25 CYS SG : rot -125:sc= -0.0239 USER MOD Single : A 28 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.0526) USER MOD Single : A 29 TYR OH : rot -123:sc= 0.704 USER MOD Single : A 30 THR OG1 : rot -174:sc= -4.23! USER MOD Single : A 37 HIS : no HE2:sc= -10.8! C(o=-11!,f=-13!) USER MOD Single : A 45 GLN :FLIP amide:sc= -4.28! C(o=-5.1!,f=-4.3!) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.13 F(o=-1.1,f=-0.13) USER MOD Single : A 48 CYS SG : rot 180:sc= -0.0283 USER MOD Single : A 53 SER OG : rot -90:sc= -0.296! USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0153 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.713 K(o=-0.71,f=-1.6!) USER MOD Single : A 65 SER OG : rot 180:sc= -0.786 USER MOD Single : A 67 GLN : amide:sc= -0.258 K(o=-0.26,f=-1.9!) USER MOD Single : A 72 SER OG : rot -54:sc= 0.68 USER MOD Single : A 82 SER OG : rot 180:sc=-0.00582 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0179 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 CYS SG : rot 180:sc= -2.05 USER MOD Single : A 117 HIS :FLIP no HD1:sc= -0.55 F(o=-2.1,f=-0.55) USER MOD Single : A 122 MET CE :methyl -113:sc= -4.99 (180deg=-6.17!) USER MOD Single : A 124 CYS SG : rot -43:sc= -1.82 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 1.671 2.351 -18.527 1.00 0.00 N ATOM 59 CA VAL A 4 2.397 3.568 -18.208 1.00 0.00 C ATOM 60 C VAL A 4 2.101 4.683 -19.206 1.00 0.00 C ATOM 61 O VAL A 4 2.269 4.518 -20.414 1.00 0.00 O ATOM 62 CB VAL A 4 3.912 3.309 -18.179 1.00 0.00 C ATOM 63 CG1 VAL A 4 4.308 2.623 -16.881 1.00 0.00 C ATOM 64 CG2 VAL A 4 4.340 2.480 -19.381 1.00 0.00 C ATOM 0 HA VAL A 4 2.060 3.886 -17.221 1.00 0.00 H new ATOM 0 HB VAL A 4 4.427 4.268 -18.231 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.384 2.447 -16.876 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.041 3.259 -16.037 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.784 1.671 -16.798 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.416 2.309 -19.340 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.819 1.523 -19.367 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.092 3.014 -20.298 1.00 0.00 H new ATOM 74 N VAL A 5 1.668 5.824 -18.681 1.00 0.00 N ATOM 75 CA VAL A 5 1.353 6.987 -19.503 1.00 0.00 C ATOM 76 C VAL A 5 2.610 7.803 -19.793 1.00 0.00 C ATOM 77 O VAL A 5 3.545 7.805 -18.992 1.00 0.00 O ATOM 78 CB VAL A 5 0.311 7.895 -18.819 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.016 7.166 -18.672 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.821 8.372 -17.467 1.00 0.00 C ATOM 0 H VAL A 5 1.526 5.969 -17.681 1.00 0.00 H new ATOM 0 HA VAL A 5 0.937 6.614 -20.439 1.00 0.00 H new ATOM 0 HB VAL A 5 0.150 8.771 -19.448 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.740 7.822 -18.187 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.386 6.882 -19.657 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.874 6.271 -18.066 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.072 9.011 -17.000 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.013 7.511 -16.826 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.744 8.936 -17.604 1.00 0.00 H new ATOM 90 N PRO A 6 2.651 8.507 -20.943 1.00 0.00 N ATOM 91 CA PRO A 6 3.792 9.331 -21.343 1.00 0.00 C ATOM 92 C PRO A 6 4.559 9.900 -20.152 1.00 0.00 C ATOM 93 O PRO A 6 5.765 9.689 -20.020 1.00 0.00 O ATOM 94 CB PRO A 6 3.114 10.438 -22.142 1.00 0.00 C ATOM 95 CG PRO A 6 1.953 9.765 -22.806 1.00 0.00 C ATOM 96 CD PRO A 6 1.579 8.571 -21.951 1.00 0.00 C ATOM 0 HA PRO A 6 4.546 8.771 -21.896 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.784 11.250 -21.494 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.794 10.871 -22.875 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.111 10.451 -22.898 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.217 9.448 -23.815 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.602 8.703 -21.487 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.531 7.656 -22.542 1.00 0.00 H new ATOM 104 N ASP A 7 3.847 10.594 -19.270 1.00 0.00 N ATOM 105 CA ASP A 7 4.450 11.157 -18.079 1.00 0.00 C ATOM 106 C ASP A 7 3.668 10.688 -16.859 1.00 0.00 C ATOM 107 O ASP A 7 2.739 11.347 -16.398 1.00 0.00 O ATOM 108 CB ASP A 7 4.481 12.682 -18.160 1.00 0.00 C ATOM 109 CG ASP A 7 5.464 13.185 -19.198 1.00 0.00 C ATOM 110 OD1 ASP A 7 5.574 12.552 -20.269 1.00 0.00 O ATOM 111 OD2 ASP A 7 6.125 14.214 -18.941 1.00 0.00 O ATOM 0 H ASP A 7 2.848 10.778 -19.363 1.00 0.00 H new ATOM 0 HA ASP A 7 5.481 10.815 -17.995 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.484 13.051 -18.399 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.746 13.090 -17.185 1.00 0.00 H new ATOM 116 N GLN A 8 4.050 9.525 -16.357 1.00 0.00 N ATOM 117 CA GLN A 8 3.395 8.925 -15.202 1.00 0.00 C ATOM 118 C GLN A 8 3.512 9.847 -14.005 1.00 0.00 C ATOM 119 O GLN A 8 2.569 10.009 -13.230 1.00 0.00 O ATOM 120 CB GLN A 8 4.004 7.554 -14.885 1.00 0.00 C ATOM 121 CG GLN A 8 5.512 7.485 -15.075 1.00 0.00 C ATOM 122 CD GLN A 8 5.904 6.881 -16.410 1.00 0.00 C ATOM 123 OE1 GLN A 8 5.981 7.578 -17.422 1.00 0.00 O ATOM 124 NE2 GLN A 8 6.154 5.576 -16.418 1.00 0.00 N ATOM 0 H GLN A 8 4.819 8.971 -16.735 1.00 0.00 H new ATOM 0 HA GLN A 8 2.340 8.781 -15.435 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.766 7.292 -13.854 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.534 6.804 -15.521 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.931 8.488 -14.997 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.949 6.894 -14.270 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.078 5.037 -15.555 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.422 5.113 -17.287 1.00 0.00 H new ATOM 133 N ARG A 9 4.669 10.476 -13.881 1.00 0.00 N ATOM 134 CA ARG A 9 4.907 11.416 -12.802 1.00 0.00 C ATOM 135 C ARG A 9 4.104 12.678 -13.048 1.00 0.00 C ATOM 136 O ARG A 9 3.782 13.404 -12.116 1.00 0.00 O ATOM 137 CB ARG A 9 6.397 11.758 -12.682 1.00 0.00 C ATOM 138 CG ARG A 9 7.332 10.625 -13.082 1.00 0.00 C ATOM 139 CD ARG A 9 8.136 10.974 -14.324 1.00 0.00 C ATOM 140 NE ARG A 9 9.380 11.665 -13.996 1.00 0.00 N ATOM 141 CZ ARG A 9 10.485 11.048 -13.580 1.00 0.00 C ATOM 142 NH1 ARG A 9 10.504 9.729 -13.440 1.00 0.00 N ATOM 143 NH2 ARG A 9 11.574 11.754 -13.304 1.00 0.00 N ATOM 0 H ARG A 9 5.458 10.352 -14.516 1.00 0.00 H new ATOM 0 HA ARG A 9 4.593 10.955 -11.866 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.610 12.627 -13.305 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.611 12.044 -11.652 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.011 10.405 -12.258 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.751 9.721 -13.266 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.363 10.062 -14.877 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.534 11.603 -14.980 1.00 0.00 H new ATOM 0 HE ARG A 9 9.404 12.680 -14.091 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.670 9.182 -13.651 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.353 9.262 -13.121 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.565 12.768 -13.410 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.420 11.282 -12.985 1.00 0.00 H new ATOM 157 N SER A 10 3.776 12.937 -14.311 1.00 0.00 N ATOM 158 CA SER A 10 3.003 14.127 -14.647 1.00 0.00 C ATOM 159 C SER A 10 1.622 14.072 -14.014 1.00 0.00 C ATOM 160 O SER A 10 1.088 15.093 -13.579 1.00 0.00 O ATOM 161 CB SER A 10 2.874 14.296 -16.165 1.00 0.00 C ATOM 162 OG SER A 10 3.959 15.041 -16.691 1.00 0.00 O ATOM 0 H SER A 10 4.029 12.350 -15.106 1.00 0.00 H new ATOM 0 HA SER A 10 3.540 14.988 -14.248 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.837 13.316 -16.641 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.936 14.799 -16.399 1.00 0.00 H new ATOM 0 HG SER A 10 3.776 15.270 -17.626 1.00 0.00 H new ATOM 168 N LYS A 11 1.044 12.881 -13.960 1.00 0.00 N ATOM 169 CA LYS A 11 -0.275 12.715 -13.373 1.00 0.00 C ATOM 170 C LYS A 11 -0.187 12.563 -11.871 1.00 0.00 C ATOM 171 O LYS A 11 -0.953 13.173 -11.136 1.00 0.00 O ATOM 172 CB LYS A 11 -0.999 11.518 -13.991 1.00 0.00 C ATOM 173 CG LYS A 11 -1.584 11.802 -15.364 1.00 0.00 C ATOM 174 CD LYS A 11 -0.494 12.004 -16.403 1.00 0.00 C ATOM 175 CE LYS A 11 -1.079 12.260 -17.782 1.00 0.00 C ATOM 176 NZ LYS A 11 -1.668 11.026 -18.373 1.00 0.00 N ATOM 0 H LYS A 11 1.465 12.022 -14.313 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.851 13.615 -13.590 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.302 10.683 -14.068 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.800 11.204 -13.322 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.226 10.974 -15.665 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.212 12.692 -15.316 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.136 12.845 -16.112 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.146 11.122 -16.436 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.846 13.032 -17.714 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.300 12.642 -18.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.182 10.802 -19.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.554 10.234 -17.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.680 11.179 -18.559 1.00 0.00 H new ATOM 190 N PHE A 12 0.760 11.773 -11.411 1.00 0.00 N ATOM 191 CA PHE A 12 0.936 11.584 -9.996 1.00 0.00 C ATOM 192 C PHE A 12 1.416 12.888 -9.360 1.00 0.00 C ATOM 193 O PHE A 12 1.282 13.086 -8.153 1.00 0.00 O ATOM 194 CB PHE A 12 1.904 10.419 -9.748 1.00 0.00 C ATOM 195 CG PHE A 12 2.721 10.540 -8.498 1.00 0.00 C ATOM 196 CD1 PHE A 12 3.832 11.354 -8.477 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.381 9.834 -7.356 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.601 11.470 -7.334 1.00 0.00 C ATOM 199 CE2 PHE A 12 3.142 9.940 -6.207 1.00 0.00 C ATOM 200 CZ PHE A 12 4.256 10.761 -6.196 1.00 0.00 C ATOM 0 H PHE A 12 1.415 11.255 -11.997 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.013 11.324 -9.527 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.332 9.492 -9.704 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.578 10.337 -10.600 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.105 11.908 -9.363 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.511 9.193 -7.363 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.469 12.112 -7.329 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.869 9.385 -5.322 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.855 10.848 -5.302 1.00 0.00 H new ATOM 210 N GLU A 13 1.982 13.781 -10.183 1.00 0.00 N ATOM 211 CA GLU A 13 2.479 15.062 -9.679 1.00 0.00 C ATOM 212 C GLU A 13 1.502 16.212 -9.934 1.00 0.00 C ATOM 213 O GLU A 13 1.484 17.191 -9.189 1.00 0.00 O ATOM 214 CB GLU A 13 3.847 15.395 -10.290 1.00 0.00 C ATOM 215 CG GLU A 13 3.775 16.022 -11.676 1.00 0.00 C ATOM 216 CD GLU A 13 5.091 15.933 -12.424 1.00 0.00 C ATOM 217 OE1 GLU A 13 5.770 14.892 -12.312 1.00 0.00 O ATOM 218 OE2 GLU A 13 5.441 16.906 -13.125 1.00 0.00 O ATOM 0 H GLU A 13 2.105 13.641 -11.186 1.00 0.00 H new ATOM 0 HA GLU A 13 2.582 14.951 -8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.375 16.076 -9.622 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.439 14.482 -10.347 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.997 15.525 -12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.484 17.068 -11.583 1.00 0.00 H new ATOM 225 N ASN A 14 0.725 16.115 -11.009 1.00 0.00 N ATOM 226 CA ASN A 14 -0.207 17.183 -11.366 1.00 0.00 C ATOM 227 C ASN A 14 -1.645 16.885 -10.948 1.00 0.00 C ATOM 228 O ASN A 14 -2.415 17.806 -10.674 1.00 0.00 O ATOM 229 CB ASN A 14 -0.156 17.438 -12.873 1.00 0.00 C ATOM 230 CG ASN A 14 -0.833 18.737 -13.264 1.00 0.00 C ATOM 231 OD1 ASN A 14 -1.714 18.757 -14.124 1.00 0.00 O ATOM 232 ND2 ASN A 14 -0.424 19.832 -12.633 1.00 0.00 N ATOM 0 H ASN A 14 0.721 15.316 -11.643 1.00 0.00 H new ATOM 0 HA ASN A 14 0.110 18.071 -10.819 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.884 17.461 -13.200 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.636 16.610 -13.395 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.843 20.735 -12.855 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.309 19.770 -11.927 1.00 0.00 H new ATOM 239 N GLU A 15 -2.017 15.612 -10.910 1.00 0.00 N ATOM 240 CA GLU A 15 -3.381 15.243 -10.534 1.00 0.00 C ATOM 241 C GLU A 15 -3.678 15.644 -9.090 1.00 0.00 C ATOM 242 O GLU A 15 -2.850 15.457 -8.201 1.00 0.00 O ATOM 243 CB GLU A 15 -3.617 13.748 -10.738 1.00 0.00 C ATOM 244 CG GLU A 15 -3.980 13.383 -12.168 1.00 0.00 C ATOM 245 CD GLU A 15 -5.438 13.649 -12.486 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.855 14.825 -12.423 1.00 0.00 O ATOM 247 OE2 GLU A 15 -6.164 12.681 -12.799 1.00 0.00 O ATOM 0 H GLU A 15 -1.406 14.826 -11.131 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.066 15.787 -11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.718 13.203 -10.449 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.416 13.420 -10.073 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.353 13.952 -12.854 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.762 12.328 -12.336 1.00 0.00 H new ATOM 254 N GLU A 16 -4.861 16.219 -8.874 1.00 0.00 N ATOM 255 CA GLU A 16 -5.270 16.679 -7.545 1.00 0.00 C ATOM 256 C GLU A 16 -5.427 15.527 -6.558 1.00 0.00 C ATOM 257 O GLU A 16 -4.677 15.438 -5.586 1.00 0.00 O ATOM 258 CB GLU A 16 -6.570 17.488 -7.630 1.00 0.00 C ATOM 259 CG GLU A 16 -7.673 16.812 -8.429 1.00 0.00 C ATOM 260 CD GLU A 16 -8.408 17.776 -9.340 1.00 0.00 C ATOM 261 OE1 GLU A 16 -7.764 18.348 -10.244 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.630 17.958 -9.148 1.00 0.00 O ATOM 0 H GLU A 16 -5.555 16.378 -9.604 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.473 17.322 -7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.933 17.679 -6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.353 18.457 -8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.243 16.009 -9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.384 16.353 -7.743 1.00 0.00 H new ATOM 269 N PHE A 17 -6.389 14.639 -6.800 1.00 0.00 N ATOM 270 CA PHE A 17 -6.596 13.509 -5.909 1.00 0.00 C ATOM 271 C PHE A 17 -5.316 12.704 -5.823 1.00 0.00 C ATOM 272 O PHE A 17 -4.910 12.273 -4.750 1.00 0.00 O ATOM 273 CB PHE A 17 -7.769 12.643 -6.402 1.00 0.00 C ATOM 274 CG PHE A 17 -7.539 11.162 -6.270 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.700 10.506 -7.154 1.00 0.00 C ATOM 276 CD2 PHE A 17 -8.151 10.434 -5.263 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.473 9.147 -7.037 1.00 0.00 C ATOM 278 CE2 PHE A 17 -7.931 9.075 -5.140 1.00 0.00 C ATOM 279 CZ PHE A 17 -7.090 8.431 -6.029 1.00 0.00 C ATOM 0 H PHE A 17 -7.027 14.681 -7.595 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.852 13.869 -4.913 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.665 12.912 -5.842 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.965 12.877 -7.448 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.217 11.062 -7.944 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.807 10.934 -4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.815 8.646 -7.732 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.415 8.517 -4.352 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.916 7.369 -5.936 1.00 0.00 H new ATOM 289 N PHE A 18 -4.687 12.518 -6.971 1.00 0.00 N ATOM 290 CA PHE A 18 -3.456 11.780 -7.064 1.00 0.00 C ATOM 291 C PHE A 18 -2.384 12.474 -6.232 1.00 0.00 C ATOM 292 O PHE A 18 -1.470 11.833 -5.726 1.00 0.00 O ATOM 293 CB PHE A 18 -3.061 11.753 -8.527 1.00 0.00 C ATOM 294 CG PHE A 18 -2.401 10.502 -8.974 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.399 9.896 -8.245 1.00 0.00 C ATOM 296 CD2 PHE A 18 -2.825 9.928 -10.146 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.823 8.719 -8.694 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.261 8.759 -10.608 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.257 8.150 -9.882 1.00 0.00 C ATOM 0 H PHE A 18 -5.024 12.879 -7.864 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.571 10.765 -6.685 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.954 11.912 -9.132 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.391 12.590 -8.723 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.062 10.341 -7.320 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.613 10.400 -10.715 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.039 8.246 -8.121 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.603 8.321 -11.534 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.811 7.233 -10.238 1.00 0.00 H new ATOM 309 N ARG A 19 -2.523 13.795 -6.081 1.00 0.00 N ATOM 310 CA ARG A 19 -1.583 14.580 -5.292 1.00 0.00 C ATOM 311 C ARG A 19 -1.954 14.503 -3.816 1.00 0.00 C ATOM 312 O ARG A 19 -1.194 13.973 -2.997 1.00 0.00 O ATOM 313 CB ARG A 19 -1.583 16.041 -5.752 1.00 0.00 C ATOM 314 CG ARG A 19 -0.487 16.366 -6.756 1.00 0.00 C ATOM 315 CD ARG A 19 0.185 17.692 -6.437 1.00 0.00 C ATOM 316 NE ARG A 19 -0.787 18.762 -6.222 1.00 0.00 N ATOM 317 CZ ARG A 19 -0.474 20.056 -6.212 1.00 0.00 C ATOM 318 NH1 ARG A 19 0.781 20.444 -6.402 1.00 0.00 N ATOM 319 NH2 ARG A 19 -1.419 20.965 -6.010 1.00 0.00 N ATOM 0 H ARG A 19 -3.279 14.338 -6.497 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.583 14.170 -5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.551 16.273 -6.196 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.469 16.687 -4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.257 15.570 -6.754 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.911 16.404 -7.760 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.803 17.580 -5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.851 17.967 -7.255 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.762 18.502 -6.071 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.512 19.749 -6.557 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.015 21.437 -6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.385 20.672 -5.862 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.180 21.956 -6.002 1.00 0.00 H new ATOM 333 N LYS A 20 -3.147 15.004 -3.479 1.00 0.00 N ATOM 334 CA LYS A 20 -3.615 14.957 -2.096 1.00 0.00 C ATOM 335 C LYS A 20 -3.504 13.531 -1.564 1.00 0.00 C ATOM 336 O LYS A 20 -3.353 13.313 -0.362 1.00 0.00 O ATOM 337 CB LYS A 20 -5.047 15.482 -1.971 1.00 0.00 C ATOM 338 CG LYS A 20 -6.083 14.654 -2.705 1.00 0.00 C ATOM 339 CD LYS A 20 -7.213 15.524 -3.236 1.00 0.00 C ATOM 340 CE LYS A 20 -8.519 14.750 -3.328 1.00 0.00 C ATOM 341 NZ LYS A 20 -9.498 15.190 -2.295 1.00 0.00 N ATOM 0 H LYS A 20 -3.795 15.440 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.982 15.609 -1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.315 15.524 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.081 16.504 -2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.609 14.125 -3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.489 13.897 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.346 16.387 -2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.946 15.907 -4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.952 14.884 -4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.319 13.685 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.392 14.675 -2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.116 14.992 -1.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.670 16.211 -2.392 1.00 0.00 H new ATOM 355 N LEU A 21 -3.533 12.564 -2.483 1.00 0.00 N ATOM 356 CA LEU A 21 -3.384 11.161 -2.117 1.00 0.00 C ATOM 357 C LEU A 21 -1.903 10.813 -2.118 1.00 0.00 C ATOM 358 O LEU A 21 -1.418 10.113 -1.229 1.00 0.00 O ATOM 359 CB LEU A 21 -4.126 10.248 -3.094 1.00 0.00 C ATOM 360 CG LEU A 21 -5.643 10.147 -2.896 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.018 8.796 -2.309 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.161 11.274 -2.014 1.00 0.00 C ATOM 0 H LEU A 21 -3.658 12.729 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.813 11.009 -1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.934 10.600 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.702 9.247 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.114 10.243 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.099 8.744 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.697 8.004 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.527 8.670 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.240 11.175 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.680 11.222 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.935 12.233 -2.479 1.00 0.00 H new ATOM 374 N SER A 22 -1.182 11.346 -3.112 1.00 0.00 N ATOM 375 CA SER A 22 0.262 11.131 -3.227 1.00 0.00 C ATOM 376 C SER A 22 0.981 11.574 -1.956 1.00 0.00 C ATOM 377 O SER A 22 2.159 11.282 -1.764 1.00 0.00 O ATOM 378 CB SER A 22 0.828 11.896 -4.426 1.00 0.00 C ATOM 379 OG SER A 22 2.231 12.069 -4.306 1.00 0.00 O ATOM 0 H SER A 22 -1.578 11.930 -3.849 1.00 0.00 H new ATOM 0 HA SER A 22 0.427 10.064 -3.373 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.603 11.356 -5.345 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.344 12.870 -4.502 1.00 0.00 H new ATOM 0 HG SER A 22 2.682 11.606 -5.043 1.00 0.00 H new ATOM 385 N ARG A 23 0.266 12.291 -1.093 1.00 0.00 N ATOM 386 CA ARG A 23 0.837 12.779 0.149 1.00 0.00 C ATOM 387 C ARG A 23 0.460 11.856 1.304 1.00 0.00 C ATOM 388 O ARG A 23 -0.049 10.754 1.086 1.00 0.00 O ATOM 389 CB ARG A 23 0.324 14.192 0.420 1.00 0.00 C ATOM 390 CG ARG A 23 0.104 15.013 -0.844 1.00 0.00 C ATOM 391 CD ARG A 23 0.635 16.432 -0.695 1.00 0.00 C ATOM 392 NE ARG A 23 -0.443 17.417 -0.650 1.00 0.00 N ATOM 393 CZ ARG A 23 -1.167 17.674 0.437 1.00 0.00 C ATOM 394 NH1 ARG A 23 -0.935 17.019 1.568 1.00 0.00 N ATOM 395 NH2 ARG A 23 -2.126 18.588 0.392 1.00 0.00 N ATOM 0 H ARG A 23 -0.712 12.545 -1.236 1.00 0.00 H new ATOM 0 HA ARG A 23 1.923 12.797 0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.615 14.130 0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.036 14.711 1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.598 14.526 -1.685 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.961 15.046 -1.076 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.229 16.503 0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.300 16.660 -1.528 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.653 17.938 -1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.199 16.314 1.607 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.493 17.220 2.398 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.308 19.093 -0.475 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.681 18.786 1.224 1.00 0.00 H new ATOM 409 N GLU A 24 0.728 12.301 2.526 1.00 0.00 N ATOM 410 CA GLU A 24 0.429 11.504 3.713 1.00 0.00 C ATOM 411 C GLU A 24 -0.795 12.037 4.450 1.00 0.00 C ATOM 412 O GLU A 24 -0.962 13.245 4.607 1.00 0.00 O ATOM 413 CB GLU A 24 1.636 11.487 4.653 1.00 0.00 C ATOM 414 CG GLU A 24 2.151 12.873 5.007 1.00 0.00 C ATOM 415 CD GLU A 24 3.302 12.830 5.993 1.00 0.00 C ATOM 416 OE1 GLU A 24 3.071 12.450 7.160 1.00 0.00 O ATOM 417 OE2 GLU A 24 4.435 13.178 5.598 1.00 0.00 O ATOM 0 H GLU A 24 1.151 13.208 2.722 1.00 0.00 H new ATOM 0 HA GLU A 24 0.210 10.488 3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.364 10.964 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.440 10.917 4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.474 13.380 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.337 13.463 5.429 1.00 0.00 H new ATOM 424 N CYS A 25 -1.647 11.121 4.904 1.00 0.00 N ATOM 425 CA CYS A 25 -2.854 11.494 5.632 1.00 0.00 C ATOM 426 C CYS A 25 -3.250 10.414 6.631 1.00 0.00 C ATOM 427 O CYS A 25 -2.464 9.517 6.938 1.00 0.00 O ATOM 428 CB CYS A 25 -4.006 11.772 4.656 1.00 0.00 C ATOM 429 SG CYS A 25 -4.880 10.296 4.079 1.00 0.00 S ATOM 0 H CYS A 25 -1.523 10.116 4.780 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.642 12.406 6.190 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.722 12.436 5.140 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.611 12.305 3.791 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.885 10.275 2.779 1.00 0.00 H new ATOM 435 N GLU A 26 -4.472 10.511 7.138 1.00 0.00 N ATOM 436 CA GLU A 26 -4.973 9.549 8.106 1.00 0.00 C ATOM 437 C GLU A 26 -5.758 8.436 7.420 1.00 0.00 C ATOM 438 O GLU A 26 -6.689 8.692 6.657 1.00 0.00 O ATOM 439 CB GLU A 26 -5.861 10.247 9.140 1.00 0.00 C ATOM 440 CG GLU A 26 -5.362 11.626 9.546 1.00 0.00 C ATOM 441 CD GLU A 26 -5.465 11.868 11.038 1.00 0.00 C ATOM 442 OE1 GLU A 26 -6.330 11.238 11.684 1.00 0.00 O ATOM 443 OE2 GLU A 26 -4.681 12.687 11.563 1.00 0.00 O ATOM 0 H GLU A 26 -5.134 11.248 6.894 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.115 9.105 8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.869 10.340 8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.930 9.620 10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.324 11.739 9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.937 12.386 9.018 1.00 0.00 H new ATOM 450 N ILE A 27 -5.378 7.199 7.708 1.00 0.00 N ATOM 451 CA ILE A 27 -6.051 6.038 7.136 1.00 0.00 C ATOM 452 C ILE A 27 -6.865 5.313 8.201 1.00 0.00 C ATOM 453 O ILE A 27 -6.688 5.552 9.396 1.00 0.00 O ATOM 454 CB ILE A 27 -5.055 5.048 6.500 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.053 4.546 7.541 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.333 5.699 5.332 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.147 3.449 7.024 1.00 0.00 C ATOM 0 H ILE A 27 -4.606 6.972 8.335 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.712 6.410 6.353 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.614 4.191 6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.442 5.383 7.879 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.598 4.178 8.410 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.634 4.987 4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.060 6.004 4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.787 6.574 5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.462 3.140 7.814 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.750 2.596 6.713 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.576 3.820 6.173 1.00 0.00 H new ATOM 469 N LYS A 28 -7.762 4.434 7.768 1.00 0.00 N ATOM 470 CA LYS A 28 -8.602 3.687 8.701 1.00 0.00 C ATOM 471 C LYS A 28 -9.018 2.339 8.119 1.00 0.00 C ATOM 472 O LYS A 28 -9.162 2.198 6.907 1.00 0.00 O ATOM 473 CB LYS A 28 -9.846 4.503 9.058 1.00 0.00 C ATOM 474 CG LYS A 28 -10.531 5.126 7.851 1.00 0.00 C ATOM 475 CD LYS A 28 -11.948 4.599 7.671 1.00 0.00 C ATOM 476 CE LYS A 28 -12.935 5.728 7.420 1.00 0.00 C ATOM 477 NZ LYS A 28 -12.599 6.496 6.190 1.00 0.00 N ATOM 0 H LYS A 28 -7.927 4.221 6.784 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.017 3.502 9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.556 3.859 9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.565 5.293 9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.558 6.209 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.948 4.916 6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.974 3.899 6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.247 4.044 8.560 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.941 5.317 7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.943 6.401 8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.309 7.460 6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.820 6.024 5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.433 6.541 5.570 1.00 0.00 H new ATOM 491 N TYR A 29 -9.213 1.352 8.990 1.00 0.00 N ATOM 492 CA TYR A 29 -9.612 0.018 8.551 1.00 0.00 C ATOM 493 C TYR A 29 -11.115 -0.058 8.303 1.00 0.00 C ATOM 494 O TYR A 29 -11.918 0.227 9.192 1.00 0.00 O ATOM 495 CB TYR A 29 -9.208 -1.030 9.587 1.00 0.00 C ATOM 496 CG TYR A 29 -8.810 -2.353 8.976 1.00 0.00 C ATOM 497 CD1 TYR A 29 -7.883 -2.411 7.943 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.360 -3.545 9.431 1.00 0.00 C ATOM 499 CE1 TYR A 29 -7.517 -3.618 7.380 1.00 0.00 C ATOM 500 CE2 TYR A 29 -8.998 -4.755 8.875 1.00 0.00 C ATOM 501 CZ TYR A 29 -8.077 -4.787 7.849 1.00 0.00 C ATOM 502 OH TYR A 29 -7.712 -5.993 7.295 1.00 0.00 O ATOM 0 H TYR A 29 -9.102 1.450 9.999 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.097 -0.187 7.612 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.376 -0.645 10.177 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.039 -1.190 10.274 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.441 -1.497 7.574 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.083 -3.524 10.233 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.796 -3.646 6.577 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.434 -5.673 9.242 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.510 -6.455 6.961 1.00 0.00 H new ATOM 512 N THR A 30 -11.486 -0.448 7.086 1.00 0.00 N ATOM 513 CA THR A 30 -12.891 -0.569 6.714 1.00 0.00 C ATOM 514 C THR A 30 -13.068 -1.541 5.548 1.00 0.00 C ATOM 515 O THR A 30 -14.027 -1.437 4.783 1.00 0.00 O ATOM 516 CB THR A 30 -13.464 0.797 6.337 1.00 0.00 C ATOM 517 OG1 THR A 30 -12.914 1.251 5.114 1.00 0.00 O ATOM 518 CG2 THR A 30 -13.208 1.864 7.379 1.00 0.00 C ATOM 0 H THR A 30 -10.831 -0.686 6.341 1.00 0.00 H new ATOM 0 HA THR A 30 -13.431 -0.958 7.577 1.00 0.00 H new ATOM 0 HB THR A 30 -14.540 0.645 6.255 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.220 2.165 4.937 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.641 2.808 7.047 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.664 1.567 8.323 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.134 1.987 7.518 1.00 0.00 H new ATOM 526 N GLY A 31 -12.139 -2.483 5.416 1.00 0.00 N ATOM 527 CA GLY A 31 -12.216 -3.455 4.339 1.00 0.00 C ATOM 528 C GLY A 31 -13.205 -4.566 4.633 1.00 0.00 C ATOM 529 O GLY A 31 -14.190 -4.737 3.914 1.00 0.00 O ATOM 0 H GLY A 31 -11.335 -2.591 6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.505 -2.950 3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.229 -3.886 4.171 1.00 0.00 H new ATOM 533 N PHE A 32 -12.947 -5.315 5.699 1.00 0.00 N ATOM 534 CA PHE A 32 -13.826 -6.411 6.100 1.00 0.00 C ATOM 535 C PHE A 32 -14.159 -6.314 7.586 1.00 0.00 C ATOM 536 O PHE A 32 -14.785 -7.207 8.152 1.00 0.00 O ATOM 537 CB PHE A 32 -13.176 -7.769 5.801 1.00 0.00 C ATOM 538 CG PHE A 32 -11.676 -7.721 5.682 1.00 0.00 C ATOM 539 CD1 PHE A 32 -11.078 -7.411 4.472 1.00 0.00 C ATOM 540 CD2 PHE A 32 -10.867 -7.988 6.776 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.702 -7.367 4.353 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.490 -7.946 6.664 1.00 0.00 C ATOM 543 CZ PHE A 32 -8.907 -7.634 5.450 1.00 0.00 C ATOM 0 H PHE A 32 -12.135 -5.184 6.303 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.748 -6.330 5.524 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.445 -8.470 6.591 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.591 -8.161 4.873 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.695 -7.201 3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.318 -8.232 7.727 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.249 -7.124 3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.871 -8.157 7.523 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.831 -7.599 5.360 1.00 0.00 H new ATOM 553 N ARG A 33 -13.726 -5.220 8.205 1.00 0.00 N ATOM 554 CA ARG A 33 -13.954 -4.982 9.622 1.00 0.00 C ATOM 555 C ARG A 33 -15.388 -4.569 9.905 1.00 0.00 C ATOM 556 O ARG A 33 -15.810 -4.502 11.058 1.00 0.00 O ATOM 557 CB ARG A 33 -12.996 -3.904 10.108 1.00 0.00 C ATOM 558 CG ARG A 33 -13.251 -2.539 9.490 1.00 0.00 C ATOM 559 CD ARG A 33 -14.375 -1.802 10.202 1.00 0.00 C ATOM 560 NE ARG A 33 -13.938 -0.509 10.725 1.00 0.00 N ATOM 561 CZ ARG A 33 -14.768 0.482 11.041 1.00 0.00 C ATOM 562 NH1 ARG A 33 -16.078 0.332 10.892 1.00 0.00 N ATOM 563 NH2 ARG A 33 -14.287 1.626 11.508 1.00 0.00 N ATOM 0 H ARG A 33 -13.208 -4.476 7.737 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.774 -5.915 10.157 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.074 -3.823 11.192 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.974 -4.210 9.884 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.339 -1.943 9.534 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.503 -2.658 8.436 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.205 -1.652 9.511 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.749 -2.416 11.021 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.938 -0.357 10.855 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.453 -0.546 10.534 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.710 1.095 11.136 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.281 1.746 11.625 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.923 2.386 11.750 1.00 0.00 H new ATOM 577 N ASP A 34 -16.129 -4.291 8.848 1.00 0.00 N ATOM 578 CA ASP A 34 -17.521 -3.878 8.973 1.00 0.00 C ATOM 579 C ASP A 34 -18.323 -4.842 9.854 1.00 0.00 C ATOM 580 O ASP A 34 -19.454 -4.538 10.233 1.00 0.00 O ATOM 581 CB ASP A 34 -18.168 -3.781 7.591 1.00 0.00 C ATOM 582 CG ASP A 34 -17.975 -2.418 6.956 1.00 0.00 C ATOM 583 OD1 ASP A 34 -18.153 -1.403 7.661 1.00 0.00 O ATOM 584 OD2 ASP A 34 -17.645 -2.366 5.752 1.00 0.00 O ATOM 0 H ASP A 34 -15.791 -4.343 7.887 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.531 -2.899 9.451 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.744 -4.545 6.940 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.234 -3.991 7.677 1.00 0.00 H new ATOM 589 N ARG A 35 -17.742 -5.997 10.190 1.00 0.00 N ATOM 590 CA ARG A 35 -18.434 -6.965 11.036 1.00 0.00 C ATOM 591 C ARG A 35 -17.580 -7.360 12.250 1.00 0.00 C ATOM 592 O ARG A 35 -17.932 -7.020 13.380 1.00 0.00 O ATOM 593 CB ARG A 35 -18.874 -8.199 10.232 1.00 0.00 C ATOM 594 CG ARG A 35 -18.956 -7.962 8.727 1.00 0.00 C ATOM 595 CD ARG A 35 -17.584 -7.988 8.067 1.00 0.00 C ATOM 596 NE ARG A 35 -17.179 -9.343 7.698 1.00 0.00 N ATOM 597 CZ ARG A 35 -17.566 -9.955 6.580 1.00 0.00 C ATOM 598 NH1 ARG A 35 -18.374 -9.342 5.724 1.00 0.00 N ATOM 599 NH2 ARG A 35 -17.145 -11.185 6.319 1.00 0.00 N ATOM 0 H ARG A 35 -16.808 -6.279 9.893 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.336 -6.484 11.414 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.175 -9.013 10.424 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -19.850 -8.525 10.592 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.590 -8.725 8.274 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.431 -6.999 8.537 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.598 -7.359 7.177 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.846 -7.562 8.747 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.564 -9.850 8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.702 -8.397 5.920 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.667 -9.816 4.870 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.525 -11.662 6.974 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.441 -11.654 5.463 1.00 0.00 H new ATOM 613 N PRO A 36 -16.447 -8.075 12.062 1.00 0.00 N ATOM 614 CA PRO A 36 -15.583 -8.486 13.157 1.00 0.00 C ATOM 615 C PRO A 36 -14.366 -7.575 13.308 1.00 0.00 C ATOM 616 O PRO A 36 -13.229 -8.042 13.294 1.00 0.00 O ATOM 617 CB PRO A 36 -15.153 -9.874 12.698 1.00 0.00 C ATOM 618 CG PRO A 36 -15.098 -9.784 11.200 1.00 0.00 C ATOM 619 CD PRO A 36 -15.894 -8.558 10.790 1.00 0.00 C ATOM 0 HA PRO A 36 -16.076 -8.454 14.129 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.182 -10.145 13.114 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.862 -10.635 13.023 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.066 -9.704 10.858 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.516 -10.683 10.746 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.262 -7.808 10.315 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.681 -8.808 10.078 1.00 0.00 H new ATOM 627 N HIS A 37 -14.612 -6.275 13.442 1.00 0.00 N ATOM 628 CA HIS A 37 -13.537 -5.290 13.585 1.00 0.00 C ATOM 629 C HIS A 37 -12.461 -5.763 14.565 1.00 0.00 C ATOM 630 O HIS A 37 -11.298 -5.938 14.192 1.00 0.00 O ATOM 631 CB HIS A 37 -14.119 -3.951 14.044 1.00 0.00 C ATOM 632 CG HIS A 37 -13.101 -2.861 14.195 1.00 0.00 C ATOM 633 ND1 HIS A 37 -12.707 -2.371 15.421 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.406 -2.155 13.269 1.00 0.00 C ATOM 635 CE1 HIS A 37 -11.818 -1.411 15.245 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.617 -1.259 13.949 1.00 0.00 N ATOM 0 H HIS A 37 -15.550 -5.875 13.455 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.062 -5.167 12.612 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.875 -3.631 13.327 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.626 -4.095 14.998 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.049 -2.699 16.324 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.462 -2.275 12.197 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -11.336 -0.845 16.029 1.00 0.00 H new ATOM 645 N GLU A 38 -12.853 -5.967 15.819 1.00 0.00 N ATOM 646 CA GLU A 38 -11.920 -6.416 16.851 1.00 0.00 C ATOM 647 C GLU A 38 -11.151 -7.655 16.401 1.00 0.00 C ATOM 648 O GLU A 38 -10.025 -7.889 16.840 1.00 0.00 O ATOM 649 CB GLU A 38 -12.666 -6.708 18.154 1.00 0.00 C ATOM 650 CG GLU A 38 -13.245 -5.467 18.814 1.00 0.00 C ATOM 651 CD GLU A 38 -13.239 -5.556 20.328 1.00 0.00 C ATOM 652 OE1 GLU A 38 -12.146 -5.718 20.909 1.00 0.00 O ATOM 653 OE2 GLU A 38 -14.328 -5.465 20.931 1.00 0.00 O ATOM 0 H GLU A 38 -13.809 -5.829 16.146 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.203 -5.614 17.023 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.473 -7.412 17.951 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.985 -7.196 18.851 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.672 -4.593 18.503 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.267 -5.318 18.466 1.00 0.00 H new ATOM 660 N GLU A 39 -11.750 -8.428 15.503 1.00 0.00 N ATOM 661 CA GLU A 39 -11.103 -9.620 14.973 1.00 0.00 C ATOM 662 C GLU A 39 -10.221 -9.213 13.815 1.00 0.00 C ATOM 663 O GLU A 39 -9.121 -9.733 13.624 1.00 0.00 O ATOM 664 CB GLU A 39 -12.139 -10.648 14.516 1.00 0.00 C ATOM 665 CG GLU A 39 -11.767 -12.082 14.858 1.00 0.00 C ATOM 666 CD GLU A 39 -12.954 -13.022 14.792 1.00 0.00 C ATOM 667 OE1 GLU A 39 -13.953 -12.768 15.497 1.00 0.00 O ATOM 668 OE2 GLU A 39 -12.885 -14.014 14.035 1.00 0.00 O ATOM 0 H GLU A 39 -12.682 -8.250 15.128 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.502 -10.084 15.755 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.099 -10.412 14.974 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.271 -10.563 13.437 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.996 -12.428 14.170 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.338 -12.114 15.860 1.00 0.00 H new ATOM 675 N ARG A 40 -10.724 -8.248 13.060 1.00 0.00 N ATOM 676 CA ARG A 40 -10.020 -7.705 11.924 1.00 0.00 C ATOM 677 C ARG A 40 -8.657 -7.184 12.351 1.00 0.00 C ATOM 678 O ARG A 40 -7.733 -7.097 11.544 1.00 0.00 O ATOM 679 CB ARG A 40 -10.853 -6.602 11.291 1.00 0.00 C ATOM 680 CG ARG A 40 -11.411 -6.995 9.934 1.00 0.00 C ATOM 681 CD ARG A 40 -12.496 -8.053 10.067 1.00 0.00 C ATOM 682 NE ARG A 40 -12.097 -9.334 9.484 1.00 0.00 N ATOM 683 CZ ARG A 40 -12.889 -10.087 8.717 1.00 0.00 C ATOM 684 NH1 ARG A 40 -14.127 -9.700 8.438 1.00 0.00 N ATOM 685 NH2 ARG A 40 -12.441 -11.235 8.225 1.00 0.00 N ATOM 0 H ARG A 40 -11.636 -7.822 13.225 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.862 -8.490 11.184 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.676 -6.346 11.958 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.241 -5.707 11.182 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.818 -6.114 9.437 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.606 -7.374 9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.735 -8.195 11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.405 -7.701 9.579 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.154 -9.673 9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.482 -8.819 8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.724 -10.283 7.851 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.491 -11.543 8.433 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.047 -11.810 7.639 1.00 0.00 H new ATOM 699 N GLN A 41 -8.531 -6.858 13.637 1.00 0.00 N ATOM 700 CA GLN A 41 -7.262 -6.371 14.163 1.00 0.00 C ATOM 701 C GLN A 41 -6.188 -7.427 13.929 1.00 0.00 C ATOM 702 O GLN A 41 -5.067 -7.121 13.517 1.00 0.00 O ATOM 703 CB GLN A 41 -7.381 -6.025 15.654 1.00 0.00 C ATOM 704 CG GLN A 41 -7.363 -7.229 16.584 1.00 0.00 C ATOM 705 CD GLN A 41 -5.963 -7.589 17.043 1.00 0.00 C ATOM 706 OE1 GLN A 41 -5.217 -8.263 16.333 1.00 0.00 O ATOM 707 NE2 GLN A 41 -5.598 -7.137 18.238 1.00 0.00 N ATOM 0 H GLN A 41 -9.283 -6.922 14.324 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.984 -5.455 13.641 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.562 -5.359 15.926 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.307 -5.473 15.813 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.985 -7.021 17.455 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.806 -8.085 16.074 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.248 -6.581 18.794 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.667 -7.346 18.600 1.00 0.00 H new ATOM 716 N THR A 42 -6.563 -8.683 14.156 1.00 0.00 N ATOM 717 CA THR A 42 -5.666 -9.805 13.936 1.00 0.00 C ATOM 718 C THR A 42 -5.733 -10.220 12.478 1.00 0.00 C ATOM 719 O THR A 42 -4.738 -10.653 11.896 1.00 0.00 O ATOM 720 CB THR A 42 -6.040 -10.984 14.838 1.00 0.00 C ATOM 721 OG1 THR A 42 -6.005 -10.604 16.202 1.00 0.00 O ATOM 722 CG2 THR A 42 -5.127 -12.180 14.670 1.00 0.00 C ATOM 0 H THR A 42 -7.489 -8.946 14.494 1.00 0.00 H new ATOM 0 HA THR A 42 -4.649 -9.500 14.183 1.00 0.00 H new ATOM 0 HB THR A 42 -7.047 -11.271 14.535 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.401 -9.840 16.313 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.448 -12.979 15.338 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.171 -12.529 13.638 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.104 -11.893 14.912 1.00 0.00 H new ATOM 730 N ARG A 43 -6.912 -10.061 11.880 1.00 0.00 N ATOM 731 CA ARG A 43 -7.094 -10.397 10.477 1.00 0.00 C ATOM 732 C ARG A 43 -6.225 -9.491 9.616 1.00 0.00 C ATOM 733 O ARG A 43 -5.742 -9.896 8.558 1.00 0.00 O ATOM 734 CB ARG A 43 -8.564 -10.275 10.084 1.00 0.00 C ATOM 735 CG ARG A 43 -9.221 -11.614 9.792 1.00 0.00 C ATOM 736 CD ARG A 43 -10.303 -11.943 10.810 1.00 0.00 C ATOM 737 NE ARG A 43 -10.156 -13.293 11.350 1.00 0.00 N ATOM 738 CZ ARG A 43 -10.593 -14.391 10.734 1.00 0.00 C ATOM 739 NH1 ARG A 43 -11.197 -14.304 9.555 1.00 0.00 N ATOM 740 NH2 ARG A 43 -10.423 -15.578 11.299 1.00 0.00 N ATOM 0 H ARG A 43 -7.747 -9.704 12.344 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.789 -11.431 10.315 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.108 -9.779 10.888 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.646 -9.638 9.203 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.655 -11.596 8.792 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.465 -12.399 9.797 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.265 -11.221 11.625 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.283 -11.845 10.342 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.691 -13.401 12.252 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.329 -13.393 9.116 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.529 -15.148 9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.958 -15.650 12.204 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.757 -16.419 10.829 1.00 0.00 H new ATOM 754 N PHE A 44 -6.004 -8.268 10.095 1.00 0.00 N ATOM 755 CA PHE A 44 -5.171 -7.310 9.393 1.00 0.00 C ATOM 756 C PHE A 44 -3.702 -7.650 9.633 1.00 0.00 C ATOM 757 O PHE A 44 -2.932 -7.832 8.690 1.00 0.00 O ATOM 758 CB PHE A 44 -5.490 -5.894 9.874 1.00 0.00 C ATOM 759 CG PHE A 44 -4.291 -5.005 9.966 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.713 -4.483 8.826 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.742 -4.706 11.197 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.603 -3.670 8.908 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.630 -3.893 11.292 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.058 -3.374 10.145 1.00 0.00 C ATOM 0 H PHE A 44 -6.395 -7.922 10.971 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.372 -7.358 8.323 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.214 -5.444 9.195 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.965 -5.951 10.853 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.135 -4.714 7.859 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.186 -5.112 12.094 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.160 -3.265 8.010 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.208 -3.663 12.259 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.187 -2.739 10.215 1.00 0.00 H new ATOM 774 N GLN A 45 -3.330 -7.753 10.909 1.00 0.00 N ATOM 775 CA GLN A 45 -1.961 -8.093 11.281 1.00 0.00 C ATOM 776 C GLN A 45 -1.585 -9.456 10.704 1.00 0.00 C ATOM 777 O GLN A 45 -0.417 -9.729 10.427 1.00 0.00 O ATOM 778 CB GLN A 45 -1.812 -8.110 12.804 1.00 0.00 C ATOM 779 CG GLN A 45 -1.069 -6.904 13.356 1.00 0.00 C ATOM 780 CD GLN A 45 -0.388 -7.197 14.680 1.00 0.00 C ATOM 781 OE1 GLN A 45 -1.185 -7.402 15.722 1.00 0.00 O flip ATOM 782 NE2 GLN A 45 0.839 -7.239 14.763 1.00 0.00 N flip ATOM 0 H GLN A 45 -3.958 -7.606 11.699 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.290 -7.337 10.873 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.802 -8.155 13.257 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.285 -9.017 13.099 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.323 -6.578 12.631 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.769 -6.078 13.486 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.412 -7.075 13.935 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.283 -7.438 15.659 1.00 0.00 H new ATOM 791 N ASN A 46 -2.598 -10.296 10.506 1.00 0.00 N ATOM 792 CA ASN A 46 -2.404 -11.625 9.942 1.00 0.00 C ATOM 793 C ASN A 46 -2.331 -11.529 8.426 1.00 0.00 C ATOM 794 O ASN A 46 -1.639 -12.308 7.771 1.00 0.00 O ATOM 795 CB ASN A 46 -3.541 -12.558 10.358 1.00 0.00 C ATOM 796 CG ASN A 46 -3.317 -13.985 9.895 1.00 0.00 C ATOM 797 OD1 ASN A 46 -3.572 -14.239 8.617 1.00 0.00 O flip ATOM 798 ND2 ASN A 46 -2.920 -14.848 10.677 1.00 0.00 N flip ATOM 0 H ASN A 46 -3.568 -10.075 10.731 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.469 -12.037 10.323 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.641 -12.543 11.443 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.480 -12.188 9.946 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.737 -14.608 11.651 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.774 -15.803 10.351 1.00 0.00 H new ATOM 805 N ALA A 47 -3.024 -10.533 7.882 1.00 0.00 N ATOM 806 CA ALA A 47 -3.017 -10.288 6.452 1.00 0.00 C ATOM 807 C ALA A 47 -1.622 -9.858 6.049 1.00 0.00 C ATOM 808 O ALA A 47 -1.151 -10.160 4.953 1.00 0.00 O ATOM 809 CB ALA A 47 -4.041 -9.223 6.081 1.00 0.00 C ATOM 0 H ALA A 47 -3.599 -9.882 8.417 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.290 -11.199 5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.018 -9.056 5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.036 -9.557 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.803 -8.293 6.598 1.00 0.00 H new ATOM 815 N CYS A 48 -0.947 -9.185 6.979 1.00 0.00 N ATOM 816 CA CYS A 48 0.423 -8.754 6.754 1.00 0.00 C ATOM 817 C CYS A 48 1.303 -9.981 6.590 1.00 0.00 C ATOM 818 O CYS A 48 2.388 -9.914 6.012 1.00 0.00 O ATOM 819 CB CYS A 48 0.917 -7.893 7.921 1.00 0.00 C ATOM 820 SG CYS A 48 1.086 -6.138 7.522 1.00 0.00 S ATOM 0 H CYS A 48 -1.328 -8.929 7.890 1.00 0.00 H new ATOM 0 HA CYS A 48 0.468 -8.147 5.850 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.225 -8.000 8.756 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.882 -8.273 8.256 1.00 0.00 H new ATOM 0 HG CYS A 48 1.506 -5.493 8.570 1.00 0.00 H new ATOM 826 N ARG A 49 0.811 -11.116 7.091 1.00 0.00 N ATOM 827 CA ARG A 49 1.540 -12.371 6.981 1.00 0.00 C ATOM 828 C ARG A 49 1.498 -12.873 5.538 1.00 0.00 C ATOM 829 O ARG A 49 2.389 -13.594 5.090 1.00 0.00 O ATOM 830 CB ARG A 49 0.959 -13.418 7.947 1.00 0.00 C ATOM 831 CG ARG A 49 0.097 -14.484 7.283 1.00 0.00 C ATOM 832 CD ARG A 49 -0.538 -15.409 8.310 1.00 0.00 C ATOM 833 NE ARG A 49 0.249 -16.624 8.513 1.00 0.00 N ATOM 834 CZ ARG A 49 1.247 -16.728 9.388 1.00 0.00 C ATOM 835 NH1 ARG A 49 1.591 -15.693 10.144 1.00 0.00 N ATOM 836 NH2 ARG A 49 1.905 -17.873 9.507 1.00 0.00 N ATOM 0 H ARG A 49 -0.085 -11.187 7.574 1.00 0.00 H new ATOM 0 HA ARG A 49 2.581 -12.202 7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.781 -13.908 8.469 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.363 -12.905 8.702 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.684 -14.005 6.692 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.706 -15.068 6.594 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.641 -14.881 9.258 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.543 -15.678 7.984 1.00 0.00 H new ATOM 0 HE ARG A 49 0.019 -17.443 7.950 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.089 -14.809 10.057 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.357 -15.781 10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.646 -18.672 8.929 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.670 -17.954 10.177 1.00 0.00 H new ATOM 850 N ASP A 50 0.451 -12.476 4.816 1.00 0.00 N ATOM 851 CA ASP A 50 0.281 -12.870 3.423 1.00 0.00 C ATOM 852 C ASP A 50 0.646 -11.724 2.477 1.00 0.00 C ATOM 853 O ASP A 50 0.484 -11.839 1.262 1.00 0.00 O ATOM 854 CB ASP A 50 -1.161 -13.313 3.171 1.00 0.00 C ATOM 855 CG ASP A 50 -1.456 -14.680 3.756 1.00 0.00 C ATOM 856 OD1 ASP A 50 -0.574 -15.561 3.680 1.00 0.00 O ATOM 857 OD2 ASP A 50 -2.569 -14.869 4.291 1.00 0.00 O ATOM 0 H ASP A 50 -0.294 -11.879 5.177 1.00 0.00 H new ATOM 0 HA ASP A 50 0.953 -13.705 3.225 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.844 -12.581 3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.350 -13.332 2.098 1.00 0.00 H new ATOM 862 N GLY A 51 1.145 -10.623 3.037 1.00 0.00 N ATOM 863 CA GLY A 51 1.530 -9.482 2.224 1.00 0.00 C ATOM 864 C GLY A 51 0.359 -8.858 1.489 1.00 0.00 C ATOM 865 O GLY A 51 0.513 -8.373 0.370 1.00 0.00 O ATOM 0 H GLY A 51 1.289 -10.502 4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.995 -8.729 2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.282 -9.796 1.500 1.00 0.00 H new ATOM 869 N ARG A 52 -0.811 -8.872 2.116 1.00 0.00 N ATOM 870 CA ARG A 52 -2.010 -8.302 1.515 1.00 0.00 C ATOM 871 C ARG A 52 -2.981 -7.782 2.562 1.00 0.00 C ATOM 872 O ARG A 52 -3.353 -8.495 3.494 1.00 0.00 O ATOM 873 CB ARG A 52 -2.702 -9.338 0.644 1.00 0.00 C ATOM 874 CG ARG A 52 -2.115 -9.400 -0.744 1.00 0.00 C ATOM 875 CD ARG A 52 -1.595 -10.789 -1.070 1.00 0.00 C ATOM 876 NE ARG A 52 -0.823 -10.807 -2.310 1.00 0.00 N ATOM 877 CZ ARG A 52 -1.370 -10.822 -3.524 1.00 0.00 C ATOM 878 NH1 ARG A 52 -2.691 -10.825 -3.665 1.00 0.00 N ATOM 879 NH2 ARG A 52 -0.596 -10.835 -4.601 1.00 0.00 N ATOM 0 H ARG A 52 -0.955 -9.273 3.043 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.696 -7.456 0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.622 -10.318 1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.764 -9.103 0.577 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.873 -9.114 -1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.303 -8.678 -0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.972 -11.145 -0.250 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.434 -11.480 -1.155 1.00 0.00 H new ATOM 0 HE ARG A 52 0.195 -10.808 -2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.292 -10.816 -2.841 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.104 -10.836 -4.597 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.419 -10.834 -4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.016 -10.847 -5.531 1.00 0.00 H new ATOM 893 N SER A 53 -3.404 -6.538 2.385 1.00 0.00 N ATOM 894 CA SER A 53 -4.356 -5.916 3.300 1.00 0.00 C ATOM 895 C SER A 53 -5.315 -4.989 2.563 1.00 0.00 C ATOM 896 O SER A 53 -5.086 -4.614 1.409 1.00 0.00 O ATOM 897 CB SER A 53 -3.637 -5.142 4.402 1.00 0.00 C ATOM 898 OG SER A 53 -3.309 -3.828 3.977 1.00 0.00 O ATOM 0 H SER A 53 -3.104 -5.938 1.617 1.00 0.00 H new ATOM 0 HA SER A 53 -4.933 -6.721 3.754 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.270 -5.093 5.288 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.728 -5.672 4.688 1.00 0.00 H new ATOM 0 HG SER A 53 -2.422 -3.831 3.560 1.00 0.00 H new ATOM 904 N GLU A 54 -6.376 -4.606 3.258 1.00 0.00 N ATOM 905 CA GLU A 54 -7.378 -3.703 2.715 1.00 0.00 C ATOM 906 C GLU A 54 -7.566 -2.529 3.664 1.00 0.00 C ATOM 907 O GLU A 54 -8.226 -2.652 4.696 1.00 0.00 O ATOM 908 CB GLU A 54 -8.706 -4.435 2.508 1.00 0.00 C ATOM 909 CG GLU A 54 -9.569 -3.831 1.411 1.00 0.00 C ATOM 910 CD GLU A 54 -10.702 -4.747 0.991 1.00 0.00 C ATOM 911 OE1 GLU A 54 -10.442 -5.947 0.761 1.00 0.00 O ATOM 912 OE2 GLU A 54 -11.849 -4.263 0.890 1.00 0.00 O ATOM 0 H GLU A 54 -6.566 -4.912 4.212 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.039 -3.335 1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.503 -5.478 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.265 -4.428 3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.982 -2.884 1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.946 -3.608 0.545 1.00 0.00 H new ATOM 919 N ILE A 55 -6.958 -1.399 3.328 1.00 0.00 N ATOM 920 CA ILE A 55 -7.037 -0.215 4.174 1.00 0.00 C ATOM 921 C ILE A 55 -7.871 0.885 3.531 1.00 0.00 C ATOM 922 O ILE A 55 -7.877 1.049 2.311 1.00 0.00 O ATOM 923 CB ILE A 55 -5.633 0.341 4.488 1.00 0.00 C ATOM 924 CG1 ILE A 55 -4.615 -0.797 4.602 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.661 1.159 5.770 1.00 0.00 C ATOM 926 CD1 ILE A 55 -4.895 -1.748 5.745 1.00 0.00 C ATOM 0 H ILE A 55 -6.406 -1.277 2.479 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.520 -0.528 5.100 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.330 0.991 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.604 -1.358 3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.620 -0.371 4.730 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.663 1.544 5.978 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.355 1.992 5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.986 0.528 6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.134 -2.528 5.764 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.877 -1.200 6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.876 -2.202 5.608 1.00 0.00 H new ATOM 938 N ALA A 56 -8.570 1.637 4.372 1.00 0.00 N ATOM 939 CA ALA A 56 -9.412 2.732 3.912 1.00 0.00 C ATOM 940 C ALA A 56 -8.669 4.059 4.001 1.00 0.00 C ATOM 941 O ALA A 56 -7.743 4.211 4.799 1.00 0.00 O ATOM 942 CB ALA A 56 -10.697 2.787 4.726 1.00 0.00 C ATOM 0 H ALA A 56 -8.569 1.506 5.384 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.667 2.554 2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.317 3.610 4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.240 1.849 4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.455 2.942 5.778 1.00 0.00 H new ATOM 948 N PHE A 57 -9.070 5.011 3.171 1.00 0.00 N ATOM 949 CA PHE A 57 -8.434 6.321 3.148 1.00 0.00 C ATOM 950 C PHE A 57 -9.401 7.373 3.698 1.00 0.00 C ATOM 951 O PHE A 57 -10.520 7.507 3.204 1.00 0.00 O ATOM 952 CB PHE A 57 -8.049 6.656 1.704 1.00 0.00 C ATOM 953 CG PHE A 57 -6.812 7.493 1.562 1.00 0.00 C ATOM 954 CD1 PHE A 57 -5.561 6.916 1.716 1.00 0.00 C ATOM 955 CD2 PHE A 57 -6.891 8.840 1.252 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.411 7.666 1.565 1.00 0.00 C ATOM 957 CE2 PHE A 57 -5.743 9.595 1.098 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.503 9.008 1.255 1.00 0.00 C ATOM 0 H PHE A 57 -9.834 4.901 2.504 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.539 6.314 3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.906 5.725 1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.881 7.179 1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.485 5.866 1.957 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.858 9.305 1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.443 7.204 1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.816 10.645 0.855 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.606 9.598 1.135 1.00 0.00 H new ATOM 968 N VAL A 58 -8.980 8.102 4.729 1.00 0.00 N ATOM 969 CA VAL A 58 -9.840 9.117 5.339 1.00 0.00 C ATOM 970 C VAL A 58 -9.909 10.392 4.501 1.00 0.00 C ATOM 971 O VAL A 58 -10.902 11.117 4.547 1.00 0.00 O ATOM 972 CB VAL A 58 -9.370 9.480 6.762 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.359 10.423 7.430 1.00 0.00 C ATOM 974 CG2 VAL A 58 -9.177 8.223 7.598 1.00 0.00 C ATOM 0 H VAL A 58 -8.059 8.012 5.157 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.835 8.675 5.389 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.410 9.991 6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.009 10.667 8.433 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.443 11.337 6.843 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.335 9.941 7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.845 8.499 8.599 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.121 7.682 7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.426 7.586 7.130 1.00 0.00 H new ATOM 984 N ALA A 59 -8.852 10.670 3.747 1.00 0.00 N ATOM 985 CA ALA A 59 -8.804 11.868 2.912 1.00 0.00 C ATOM 986 C ALA A 59 -10.069 12.023 2.071 1.00 0.00 C ATOM 987 O ALA A 59 -10.626 13.117 1.968 1.00 0.00 O ATOM 988 CB ALA A 59 -7.578 11.839 2.014 1.00 0.00 C ATOM 0 H ALA A 59 -8.018 10.085 3.695 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.740 12.729 3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.557 12.738 1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.678 11.798 2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.619 10.960 1.371 1.00 0.00 H new ATOM 994 N THR A 60 -10.517 10.926 1.468 1.00 0.00 N ATOM 995 CA THR A 60 -11.714 10.951 0.635 1.00 0.00 C ATOM 996 C THR A 60 -12.570 9.704 0.849 1.00 0.00 C ATOM 997 O THR A 60 -13.445 9.399 0.040 1.00 0.00 O ATOM 998 CB THR A 60 -11.329 11.067 -0.842 1.00 0.00 C ATOM 999 OG1 THR A 60 -10.579 9.938 -1.254 1.00 0.00 O ATOM 1000 CG2 THR A 60 -10.508 12.300 -1.150 1.00 0.00 C ATOM 0 H THR A 60 -10.071 10.012 1.540 1.00 0.00 H new ATOM 0 HA THR A 60 -12.302 11.821 0.926 1.00 0.00 H new ATOM 0 HB THR A 60 -12.273 11.133 -1.383 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.344 10.029 -2.201 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.269 12.322 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.078 13.191 -0.888 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.585 12.276 -0.571 1.00 0.00 H new ATOM 1008 N GLY A 61 -12.313 8.984 1.938 1.00 0.00 N ATOM 1009 CA GLY A 61 -13.074 7.783 2.223 1.00 0.00 C ATOM 1010 C GLY A 61 -12.939 6.743 1.129 1.00 0.00 C ATOM 1011 O GLY A 61 -13.869 5.978 0.870 1.00 0.00 O ATOM 0 H GLY A 61 -11.594 9.211 2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.737 7.358 3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.125 8.043 2.347 1.00 0.00 H new ATOM 1015 N THR A 62 -11.778 6.719 0.481 1.00 0.00 N ATOM 1016 CA THR A 62 -11.521 5.770 -0.595 1.00 0.00 C ATOM 1017 C THR A 62 -10.824 4.519 -0.069 1.00 0.00 C ATOM 1018 O THR A 62 -9.795 4.607 0.603 1.00 0.00 O ATOM 1019 CB THR A 62 -10.668 6.424 -1.685 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.346 5.488 -2.699 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.369 7.003 -1.166 1.00 0.00 C ATOM 0 H THR A 62 -11.000 7.347 0.683 1.00 0.00 H new ATOM 0 HA THR A 62 -12.480 5.474 -1.020 1.00 0.00 H new ATOM 0 HB THR A 62 -11.278 7.238 -2.077 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.802 5.925 -3.387 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.815 7.450 -1.991 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.584 7.766 -0.418 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.772 6.210 -0.715 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.386 3.356 -0.384 1.00 0.00 N ATOM 1030 CA ASN A 63 -10.813 2.088 0.052 1.00 0.00 C ATOM 1031 C ASN A 63 -9.646 1.697 -0.846 1.00 0.00 C ATOM 1032 O ASN A 63 -9.590 2.095 -2.010 1.00 0.00 O ATOM 1033 CB ASN A 63 -11.877 0.988 0.039 1.00 0.00 C ATOM 1034 CG ASN A 63 -11.346 -0.336 0.552 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -11.318 -0.581 1.758 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -10.922 -1.199 -0.364 1.00 0.00 N ATOM 0 H ASN A 63 -12.237 3.266 -0.939 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.447 2.208 1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -12.724 1.298 0.651 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.249 0.858 -0.977 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.555 -2.107 -0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.964 -0.954 -1.353 1.00 0.00 H new ATOM 1043 N LEU A 64 -8.708 0.927 -0.304 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.544 0.506 -1.074 1.00 0.00 C ATOM 1045 C LEU A 64 -7.104 -0.909 -0.717 1.00 0.00 C ATOM 1046 O LEU A 64 -6.807 -1.208 0.439 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.376 1.469 -0.844 1.00 0.00 C ATOM 1048 CG LEU A 64 -6.764 2.934 -0.631 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -5.672 3.664 0.136 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -7.029 3.612 -1.966 1.00 0.00 C ATOM 0 H LEU A 64 -8.730 0.585 0.657 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.835 0.518 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.814 1.130 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.704 1.410 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.680 2.970 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.962 4.705 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.530 3.189 1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.740 3.622 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.304 4.653 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.130 3.569 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.844 3.100 -2.479 1.00 0.00 H new ATOM 1062 N SER A 65 -7.032 -1.764 -1.730 1.00 0.00 N ATOM 1063 CA SER A 65 -6.591 -3.140 -1.548 1.00 0.00 C ATOM 1064 C SER A 65 -5.178 -3.279 -2.098 1.00 0.00 C ATOM 1065 O SER A 65 -4.978 -3.321 -3.312 1.00 0.00 O ATOM 1066 CB SER A 65 -7.537 -4.108 -2.261 1.00 0.00 C ATOM 1067 OG SER A 65 -8.828 -4.086 -1.675 1.00 0.00 O ATOM 0 H SER A 65 -7.275 -1.526 -2.691 1.00 0.00 H new ATOM 0 HA SER A 65 -6.599 -3.386 -0.486 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.608 -3.841 -3.315 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.131 -5.118 -2.215 1.00 0.00 H new ATOM 0 HG SER A 65 -9.414 -4.712 -2.150 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.194 -3.316 -1.207 1.00 0.00 N ATOM 1074 CA LEU A 66 -2.801 -3.408 -1.629 1.00 0.00 C ATOM 1075 C LEU A 66 -2.142 -4.719 -1.216 1.00 0.00 C ATOM 1076 O LEU A 66 -2.490 -5.323 -0.202 1.00 0.00 O ATOM 1077 CB LEU A 66 -1.984 -2.227 -1.085 1.00 0.00 C ATOM 1078 CG LEU A 66 -2.505 -1.561 0.198 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.767 -0.757 -0.075 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.740 -2.585 1.300 1.00 0.00 C ATOM 0 H LEU A 66 -4.332 -3.284 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.812 -3.375 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.967 -2.573 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.925 -1.466 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.735 -0.872 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.113 -0.297 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.552 0.020 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.542 -1.417 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.108 -2.080 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.477 -3.316 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.804 -3.093 1.530 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.164 -5.132 -2.018 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.405 -6.348 -1.765 1.00 0.00 C ATOM 1094 C GLN A 67 1.065 -5.992 -1.583 1.00 0.00 C ATOM 1095 O GLN A 67 1.760 -5.672 -2.547 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.572 -7.339 -2.918 1.00 0.00 C ATOM 1097 CG GLN A 67 -2.002 -7.452 -3.425 1.00 0.00 C ATOM 1098 CD GLN A 67 -2.170 -6.900 -4.827 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -1.309 -6.178 -5.330 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -3.284 -7.238 -5.467 1.00 0.00 N ATOM 0 H GLN A 67 -0.878 -4.632 -2.860 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.780 -6.821 -0.858 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.073 -7.036 -3.742 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.233 -8.322 -2.592 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.306 -8.499 -3.412 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.667 -6.918 -2.746 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.971 -7.839 -5.012 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.452 -6.897 -6.413 1.00 0.00 H new ATOM 1109 N PHE A 68 1.525 -6.021 -0.340 1.00 0.00 N ATOM 1110 CA PHE A 68 2.908 -5.671 -0.029 1.00 0.00 C ATOM 1111 C PHE A 68 3.797 -6.882 0.215 1.00 0.00 C ATOM 1112 O PHE A 68 3.486 -7.763 1.017 1.00 0.00 O ATOM 1113 CB PHE A 68 2.980 -4.722 1.168 1.00 0.00 C ATOM 1114 CG PHE A 68 1.749 -4.699 2.023 1.00 0.00 C ATOM 1115 CD1 PHE A 68 1.289 -5.842 2.667 1.00 0.00 C ATOM 1116 CD2 PHE A 68 1.055 -3.516 2.186 1.00 0.00 C ATOM 1117 CE1 PHE A 68 0.162 -5.791 3.461 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.072 -3.464 2.971 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.518 -4.600 3.611 1.00 0.00 C ATOM 0 H PHE A 68 0.963 -6.283 0.470 1.00 0.00 H new ATOM 0 HA PHE A 68 3.292 -5.167 -0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.831 -5.004 1.788 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.172 -3.713 0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.817 -6.776 2.545 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.402 -2.621 1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.187 -6.681 3.964 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.608 -2.533 3.086 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.401 -4.558 4.231 1.00 0.00 H new ATOM 1129 N PHE A 69 4.920 -6.883 -0.488 1.00 0.00 N ATOM 1130 CA PHE A 69 5.922 -7.936 -0.388 1.00 0.00 C ATOM 1131 C PHE A 69 7.261 -7.412 -0.895 1.00 0.00 C ATOM 1132 O PHE A 69 7.309 -6.715 -1.908 1.00 0.00 O ATOM 1133 CB PHE A 69 5.509 -9.160 -1.206 1.00 0.00 C ATOM 1134 CG PHE A 69 4.699 -10.168 -0.442 1.00 0.00 C ATOM 1135 CD1 PHE A 69 5.004 -10.482 0.875 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.629 -10.807 -1.049 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.256 -11.415 1.566 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.880 -11.740 -0.360 1.00 0.00 C ATOM 1139 CZ PHE A 69 3.193 -12.045 0.948 1.00 0.00 C ATOM 0 H PHE A 69 5.164 -6.147 -1.150 1.00 0.00 H new ATOM 0 HA PHE A 69 6.011 -8.233 0.657 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.933 -8.828 -2.070 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.406 -9.647 -1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.833 -9.993 1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.378 -10.572 -2.073 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.502 -11.652 2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.049 -12.231 -0.845 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.608 -12.775 1.488 1.00 0.00 H new ATOM 1149 N PRO A 70 8.377 -7.743 -0.225 1.00 0.00 N ATOM 1150 CA PRO A 70 9.698 -7.292 -0.664 1.00 0.00 C ATOM 1151 C PRO A 70 9.910 -7.583 -2.144 1.00 0.00 C ATOM 1152 O PRO A 70 10.140 -8.726 -2.526 1.00 0.00 O ATOM 1153 CB PRO A 70 10.660 -8.111 0.190 1.00 0.00 C ATOM 1154 CG PRO A 70 9.884 -8.453 1.417 1.00 0.00 C ATOM 1155 CD PRO A 70 8.447 -8.584 0.984 1.00 0.00 C ATOM 0 HA PRO A 70 9.836 -6.217 -0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.988 -9.009 -0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.556 -7.540 0.435 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.244 -9.383 1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.993 -7.677 2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.185 -9.620 0.769 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.761 -8.236 1.756 1.00 0.00 H new ATOM 1163 N ALA A 71 9.806 -6.539 -2.964 1.00 0.00 N ATOM 1164 CA ALA A 71 9.950 -6.648 -4.422 1.00 0.00 C ATOM 1165 C ALA A 71 11.060 -7.603 -4.846 1.00 0.00 C ATOM 1166 O ALA A 71 11.020 -8.156 -5.945 1.00 0.00 O ATOM 1167 CB ALA A 71 10.165 -5.273 -5.036 1.00 0.00 C ATOM 0 H ALA A 71 9.619 -5.590 -2.640 1.00 0.00 H new ATOM 0 HA ALA A 71 9.019 -7.073 -4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.270 -5.369 -6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.310 -4.636 -4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.069 -4.827 -4.622 1.00 0.00 H new ATOM 1173 N SER A 72 12.033 -7.812 -3.981 1.00 0.00 N ATOM 1174 CA SER A 72 13.123 -8.720 -4.286 1.00 0.00 C ATOM 1175 C SER A 72 12.762 -10.144 -3.868 1.00 0.00 C ATOM 1176 O SER A 72 13.475 -10.772 -3.085 1.00 0.00 O ATOM 1177 CB SER A 72 14.385 -8.260 -3.572 1.00 0.00 C ATOM 1178 OG SER A 72 15.455 -9.165 -3.782 1.00 0.00 O ATOM 0 H SER A 72 12.092 -7.368 -3.065 1.00 0.00 H new ATOM 0 HA SER A 72 13.301 -8.715 -5.361 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.668 -7.270 -3.930 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.188 -8.168 -2.504 1.00 0.00 H new ATOM 0 HG SER A 72 15.177 -10.067 -3.519 1.00 0.00 H new ATOM 1319 N PRO A 81 6.421 -12.772 4.777 1.00 0.00 N ATOM 1320 CA PRO A 81 7.015 -11.528 4.280 1.00 0.00 C ATOM 1321 C PRO A 81 8.151 -11.020 5.153 1.00 0.00 C ATOM 1322 O PRO A 81 8.408 -11.548 6.236 1.00 0.00 O ATOM 1323 CB PRO A 81 5.854 -10.522 4.306 1.00 0.00 C ATOM 1324 CG PRO A 81 4.736 -11.210 5.018 1.00 0.00 C ATOM 1325 CD PRO A 81 4.957 -12.680 4.813 1.00 0.00 C ATOM 0 HA PRO A 81 7.454 -11.677 3.293 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.142 -9.606 4.822 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.559 -10.239 3.296 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.737 -10.960 6.079 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.770 -10.901 4.618 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.532 -13.272 5.623 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.504 -13.034 3.887 1.00 0.00 H new ATOM 1333 N SER A 82 8.816 -9.976 4.675 1.00 0.00 N ATOM 1334 CA SER A 82 9.919 -9.369 5.407 1.00 0.00 C ATOM 1335 C SER A 82 9.548 -7.959 5.852 1.00 0.00 C ATOM 1336 O SER A 82 8.541 -7.408 5.410 1.00 0.00 O ATOM 1337 CB SER A 82 11.178 -9.331 4.540 1.00 0.00 C ATOM 1338 OG SER A 82 12.328 -9.057 5.322 1.00 0.00 O ATOM 0 H SER A 82 8.609 -9.531 3.781 1.00 0.00 H new ATOM 0 HA SER A 82 10.121 -9.975 6.291 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.301 -10.286 4.030 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.069 -8.569 3.768 1.00 0.00 H new ATOM 0 HG SER A 82 13.120 -9.040 4.745 1.00 0.00 H new ATOM 1344 N ARG A 83 10.374 -7.373 6.713 1.00 0.00 N ATOM 1345 CA ARG A 83 10.133 -6.017 7.200 1.00 0.00 C ATOM 1346 C ARG A 83 10.696 -4.985 6.222 1.00 0.00 C ATOM 1347 O ARG A 83 10.841 -3.811 6.560 1.00 0.00 O ATOM 1348 CB ARG A 83 10.760 -5.818 8.587 1.00 0.00 C ATOM 1349 CG ARG A 83 10.746 -7.065 9.466 1.00 0.00 C ATOM 1350 CD ARG A 83 9.729 -6.950 10.592 1.00 0.00 C ATOM 1351 NE ARG A 83 8.694 -7.977 10.497 1.00 0.00 N ATOM 1352 CZ ARG A 83 8.859 -9.235 10.898 1.00 0.00 C ATOM 1353 NH1 ARG A 83 10.013 -9.626 11.424 1.00 0.00 N ATOM 1354 NH2 ARG A 83 7.866 -10.106 10.772 1.00 0.00 N ATOM 0 H ARG A 83 11.214 -7.813 7.088 1.00 0.00 H new ATOM 0 HA ARG A 83 9.055 -5.875 7.279 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.791 -5.487 8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.228 -5.018 9.102 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.515 -7.938 8.855 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.739 -7.224 9.887 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.239 -7.035 11.552 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.266 -5.964 10.564 1.00 0.00 H new ATOM 0 HE ARG A 83 7.792 -7.714 10.100 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.780 -8.961 11.523 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.133 -10.592 11.729 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.977 -9.811 10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.992 -11.071 11.079 1.00 0.00 H new ATOM 1368 N GLU A 84 10.988 -5.428 4.997 1.00 0.00 N ATOM 1369 CA GLU A 84 11.506 -4.542 3.965 1.00 0.00 C ATOM 1370 C GLU A 84 10.371 -3.696 3.433 1.00 0.00 C ATOM 1371 O GLU A 84 10.524 -2.501 3.178 1.00 0.00 O ATOM 1372 CB GLU A 84 12.149 -5.353 2.836 1.00 0.00 C ATOM 1373 CG GLU A 84 13.644 -5.122 2.699 1.00 0.00 C ATOM 1374 CD GLU A 84 14.354 -6.281 2.027 1.00 0.00 C ATOM 1375 OE1 GLU A 84 14.640 -7.283 2.716 1.00 0.00 O ATOM 1376 OE2 GLU A 84 14.623 -6.187 0.811 1.00 0.00 O ATOM 0 H GLU A 84 10.873 -6.397 4.700 1.00 0.00 H new ATOM 0 HA GLU A 84 12.274 -3.895 4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.968 -6.413 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.662 -5.099 1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.816 -4.212 2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.075 -4.960 3.687 1.00 0.00 H new ATOM 1383 N TYR A 85 9.221 -4.334 3.292 1.00 0.00 N ATOM 1384 CA TYR A 85 8.028 -3.668 2.818 1.00 0.00 C ATOM 1385 C TYR A 85 6.972 -3.695 3.911 1.00 0.00 C ATOM 1386 O TYR A 85 6.381 -2.672 4.237 1.00 0.00 O ATOM 1387 CB TYR A 85 7.515 -4.341 1.546 1.00 0.00 C ATOM 1388 CG TYR A 85 8.304 -3.964 0.312 1.00 0.00 C ATOM 1389 CD1 TYR A 85 9.693 -3.887 0.346 1.00 0.00 C ATOM 1390 CD2 TYR A 85 7.660 -3.679 -0.885 1.00 0.00 C ATOM 1391 CE1 TYR A 85 10.415 -3.537 -0.780 1.00 0.00 C ATOM 1392 CE2 TYR A 85 8.375 -3.330 -2.014 1.00 0.00 C ATOM 1393 CZ TYR A 85 9.752 -3.259 -1.957 1.00 0.00 C ATOM 1394 OH TYR A 85 10.469 -2.910 -3.080 1.00 0.00 O ATOM 0 H TYR A 85 9.092 -5.324 3.503 1.00 0.00 H new ATOM 0 HA TYR A 85 8.260 -2.631 2.576 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.551 -5.423 1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.469 -4.072 1.397 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.215 -4.104 1.266 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.582 -3.731 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.493 -3.482 -0.738 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.859 -3.114 -2.938 1.00 0.00 H new ATOM 0 HH TYR A 85 9.853 -2.748 -3.824 1.00 0.00 H new ATOM 1404 N VAL A 86 6.764 -4.871 4.498 1.00 0.00 N ATOM 1405 CA VAL A 86 5.803 -5.019 5.573 1.00 0.00 C ATOM 1406 C VAL A 86 6.501 -5.403 6.873 1.00 0.00 C ATOM 1407 O VAL A 86 6.978 -6.524 7.036 1.00 0.00 O ATOM 1408 CB VAL A 86 4.743 -6.078 5.244 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.744 -5.538 4.238 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.387 -7.353 4.728 1.00 0.00 C ATOM 0 H VAL A 86 7.250 -5.731 4.243 1.00 0.00 H new ATOM 0 HA VAL A 86 5.309 -4.054 5.692 1.00 0.00 H new ATOM 0 HB VAL A 86 4.210 -6.319 6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.000 -6.303 4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.249 -4.660 4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.264 -5.262 3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.613 -8.086 4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.954 -7.134 3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.058 -7.755 5.487 1.00 0.00 H new ATOM 1420 N ASP A 87 6.553 -4.453 7.788 1.00 0.00 N ATOM 1421 CA ASP A 87 7.189 -4.650 9.081 1.00 0.00 C ATOM 1422 C ASP A 87 6.153 -4.957 10.160 1.00 0.00 C ATOM 1423 O ASP A 87 5.022 -4.477 10.104 1.00 0.00 O ATOM 1424 CB ASP A 87 7.999 -3.401 9.451 1.00 0.00 C ATOM 1425 CG ASP A 87 8.623 -3.483 10.831 1.00 0.00 C ATOM 1426 OD1 ASP A 87 7.930 -3.149 11.814 1.00 0.00 O ATOM 1427 OD2 ASP A 87 9.806 -3.870 10.927 1.00 0.00 O ATOM 0 H ASP A 87 6.156 -3.522 7.658 1.00 0.00 H new ATOM 0 HA ASP A 87 7.861 -5.506 9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.786 -3.253 8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.349 -2.527 9.404 1.00 0.00 H new ATOM 1515 N GLY A 93 4.309 1.199 18.068 1.00 0.00 N ATOM 1516 CA GLY A 93 3.046 0.726 18.607 1.00 0.00 C ATOM 1517 C GLY A 93 2.080 0.287 17.522 1.00 0.00 C ATOM 1518 O GLY A 93 1.063 -0.347 17.804 1.00 0.00 O ATOM 0 HA2 GLY A 93 3.233 -0.109 19.282 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.587 1.518 19.199 1.00 0.00 H new ATOM 1522 N LYS A 94 2.402 0.624 16.277 1.00 0.00 N ATOM 1523 CA LYS A 94 1.567 0.265 15.138 1.00 0.00 C ATOM 1524 C LYS A 94 2.397 -0.501 14.112 1.00 0.00 C ATOM 1525 O LYS A 94 3.601 -0.682 14.291 1.00 0.00 O ATOM 1526 CB LYS A 94 0.965 1.520 14.489 1.00 0.00 C ATOM 1527 CG LYS A 94 0.966 2.744 15.395 1.00 0.00 C ATOM 1528 CD LYS A 94 -0.025 2.590 16.538 1.00 0.00 C ATOM 1529 CE LYS A 94 0.490 3.236 17.813 1.00 0.00 C ATOM 1530 NZ LYS A 94 -0.207 2.714 19.021 1.00 0.00 N ATOM 0 H LYS A 94 3.241 1.149 16.031 1.00 0.00 H new ATOM 0 HA LYS A 94 0.752 -0.367 15.490 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.523 1.751 13.582 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.060 1.305 14.187 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.967 2.899 15.798 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.716 3.630 14.812 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.977 3.042 16.259 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.215 1.532 16.716 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.561 3.054 17.905 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.354 4.316 17.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.173 3.180 19.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.226 2.910 18.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.056 1.688 19.093 1.00 0.00 H new ATOM 1544 N VAL A 95 1.757 -0.949 13.040 1.00 0.00 N ATOM 1545 CA VAL A 95 2.457 -1.692 11.996 1.00 0.00 C ATOM 1546 C VAL A 95 2.320 -0.996 10.643 1.00 0.00 C ATOM 1547 O VAL A 95 1.211 -0.791 10.152 1.00 0.00 O ATOM 1548 CB VAL A 95 1.938 -3.146 11.895 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.423 -3.185 12.006 1.00 0.00 C ATOM 1550 CG2 VAL A 95 2.405 -3.812 10.605 1.00 0.00 C ATOM 0 H VAL A 95 0.761 -0.813 12.869 1.00 0.00 H new ATOM 0 HA VAL A 95 3.511 -1.721 12.271 1.00 0.00 H new ATOM 0 HB VAL A 95 2.357 -3.709 12.729 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.079 -4.217 11.932 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.118 -2.768 12.966 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.016 -2.598 11.199 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.024 -4.832 10.564 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.031 -3.250 9.749 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.495 -3.830 10.579 1.00 0.00 H new ATOM 1560 N TYR A 96 3.458 -0.648 10.046 1.00 0.00 N ATOM 1561 CA TYR A 96 3.472 0.017 8.743 1.00 0.00 C ATOM 1562 C TYR A 96 4.013 -0.891 7.650 1.00 0.00 C ATOM 1563 O TYR A 96 4.957 -1.654 7.863 1.00 0.00 O ATOM 1564 CB TYR A 96 4.267 1.330 8.774 1.00 0.00 C ATOM 1565 CG TYR A 96 5.220 1.481 9.940 1.00 0.00 C ATOM 1566 CD1 TYR A 96 6.158 0.503 10.251 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.179 2.620 10.731 1.00 0.00 C ATOM 1568 CE1 TYR A 96 7.024 0.660 11.317 1.00 0.00 C ATOM 1569 CE2 TYR A 96 6.039 2.786 11.794 1.00 0.00 C ATOM 1570 CZ TYR A 96 6.960 1.803 12.086 1.00 0.00 C ATOM 1571 OH TYR A 96 7.820 1.964 13.147 1.00 0.00 O ATOM 0 H TYR A 96 4.383 -0.815 10.443 1.00 0.00 H new ATOM 0 HA TYR A 96 2.433 0.253 8.512 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.836 1.413 7.848 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.563 2.162 8.791 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.211 -0.393 9.651 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.458 3.393 10.509 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.747 -0.109 11.546 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.992 3.682 12.396 1.00 0.00 H new ATOM 0 HH TYR A 96 7.644 2.824 13.583 1.00 0.00 H new ATOM 1581 N LEU A 97 3.399 -0.796 6.476 1.00 0.00 N ATOM 1582 CA LEU A 97 3.802 -1.600 5.332 1.00 0.00 C ATOM 1583 C LEU A 97 3.751 -0.780 4.043 1.00 0.00 C ATOM 1584 O LEU A 97 3.031 0.215 3.956 1.00 0.00 O ATOM 1585 CB LEU A 97 2.909 -2.840 5.206 1.00 0.00 C ATOM 1586 CG LEU A 97 1.433 -2.638 5.578 1.00 0.00 C ATOM 1587 CD1 LEU A 97 1.257 -2.413 7.075 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.847 -1.477 4.803 1.00 0.00 C ATOM 0 H LEU A 97 2.617 -0.167 6.293 1.00 0.00 H new ATOM 0 HA LEU A 97 4.831 -1.923 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.960 -3.199 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.320 -3.627 5.839 1.00 0.00 H new ATOM 0 HG LEU A 97 0.899 -3.550 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.200 -2.274 7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.633 -3.279 7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.812 -1.525 7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.200 -1.347 5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.399 -0.567 5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.919 -1.680 3.734 1.00 0.00 H new ATOM 1600 N LYS A 98 4.523 -1.210 3.049 1.00 0.00 N ATOM 1601 CA LYS A 98 4.579 -0.531 1.758 1.00 0.00 C ATOM 1602 C LYS A 98 4.276 -1.514 0.632 1.00 0.00 C ATOM 1603 O LYS A 98 4.924 -2.554 0.519 1.00 0.00 O ATOM 1604 CB LYS A 98 5.965 0.087 1.554 1.00 0.00 C ATOM 1605 CG LYS A 98 6.039 1.058 0.387 1.00 0.00 C ATOM 1606 CD LYS A 98 7.357 0.931 -0.360 1.00 0.00 C ATOM 1607 CE LYS A 98 8.546 1.211 0.547 1.00 0.00 C ATOM 1608 NZ LYS A 98 9.045 2.605 0.393 1.00 0.00 N ATOM 0 H LYS A 98 5.123 -2.032 3.114 1.00 0.00 H new ATOM 0 HA LYS A 98 3.830 0.261 1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.258 0.607 2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.689 -0.712 1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.212 0.870 -0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.924 2.078 0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.445 -0.073 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.368 1.626 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.259 1.041 1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.349 0.510 0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.022 2.665 0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.022 2.873 -0.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.440 3.252 0.938 1.00 0.00 H new ATOM 1622 N ALA A 99 3.284 -1.189 -0.193 1.00 0.00 N ATOM 1623 CA ALA A 99 2.898 -2.064 -1.294 1.00 0.00 C ATOM 1624 C ALA A 99 2.950 -1.347 -2.643 1.00 0.00 C ATOM 1625 O ALA A 99 2.465 -0.224 -2.779 1.00 0.00 O ATOM 1626 CB ALA A 99 1.500 -2.615 -1.058 1.00 0.00 C ATOM 0 H ALA A 99 2.736 -0.332 -0.120 1.00 0.00 H new ATOM 0 HA ALA A 99 3.617 -2.883 -1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.221 -3.267 -1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.485 -3.183 -0.128 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.790 -1.790 -0.991 1.00 0.00 H new ATOM 1632 N PRO A 100 3.532 -2.000 -3.668 1.00 0.00 N ATOM 1633 CA PRO A 100 3.637 -1.444 -5.010 1.00 0.00 C ATOM 1634 C PRO A 100 2.448 -1.847 -5.879 1.00 0.00 C ATOM 1635 O PRO A 100 2.210 -3.034 -6.100 1.00 0.00 O ATOM 1636 CB PRO A 100 4.918 -2.097 -5.519 1.00 0.00 C ATOM 1637 CG PRO A 100 4.914 -3.457 -4.895 1.00 0.00 C ATOM 1638 CD PRO A 100 4.131 -3.347 -3.605 1.00 0.00 C ATOM 0 HA PRO A 100 3.648 -0.354 -5.029 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.928 -2.159 -6.607 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.799 -1.527 -5.224 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.457 -4.187 -5.563 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.932 -3.796 -4.701 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.367 -4.121 -3.534 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.778 -3.457 -2.734 1.00 0.00 H new ATOM 1646 N MET A 101 1.697 -0.863 -6.368 1.00 0.00 N ATOM 1647 CA MET A 101 0.534 -1.146 -7.204 1.00 0.00 C ATOM 1648 C MET A 101 0.483 -0.220 -8.413 1.00 0.00 C ATOM 1649 O MET A 101 1.267 0.723 -8.524 1.00 0.00 O ATOM 1650 CB MET A 101 -0.756 -1.022 -6.385 1.00 0.00 C ATOM 1651 CG MET A 101 -1.087 0.400 -5.962 1.00 0.00 C ATOM 1652 SD MET A 101 -2.852 0.645 -5.678 1.00 0.00 S ATOM 1653 CE MET A 101 -2.842 1.304 -4.013 1.00 0.00 C ATOM 0 H MET A 101 1.871 0.128 -6.202 1.00 0.00 H new ATOM 0 HA MET A 101 0.625 -2.170 -7.568 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.585 -1.418 -6.971 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.670 -1.644 -5.494 1.00 0.00 H new ATOM 0 HG2 MET A 101 -0.539 0.641 -5.051 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.747 1.093 -6.732 1.00 0.00 H new ATOM 0 HE1 MET A 101 -3.865 1.507 -3.696 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.389 0.578 -3.337 1.00 0.00 H new ATOM 0 HE3 MET A 101 -2.266 2.229 -3.991 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.445 -0.502 -9.323 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.598 0.297 -10.530 1.00 0.00 C ATOM 1665 C ILE A 102 -1.803 1.229 -10.434 1.00 0.00 C ATOM 1666 O ILE A 102 -2.949 0.795 -10.550 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.752 -0.599 -11.777 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.466 -1.516 -11.927 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -0.943 0.249 -13.030 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.718 -0.795 -12.381 1.00 0.00 C ATOM 0 H ILE A 102 -1.102 -1.279 -9.245 1.00 0.00 H new ATOM 0 HA ILE A 102 0.307 0.896 -10.627 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.639 -1.219 -11.648 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.664 -2.002 -10.972 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.231 -2.304 -12.643 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.050 -0.402 -13.897 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.839 0.860 -12.923 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.077 0.896 -13.167 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.538 -1.508 -12.465 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.539 -0.332 -13.351 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.979 -0.026 -11.654 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.530 2.515 -10.246 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.583 3.522 -10.162 1.00 0.00 C ATOM 1684 C LEU A 103 -2.712 4.234 -11.498 1.00 0.00 C ATOM 1685 O LEU A 103 -1.740 4.343 -12.226 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.291 4.533 -9.053 1.00 0.00 C ATOM 1687 CG LEU A 103 -2.857 4.174 -7.679 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.471 5.227 -6.651 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.370 4.026 -7.749 1.00 0.00 C ATOM 0 H LEU A 103 -0.585 2.887 -10.148 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.522 3.023 -9.922 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.211 4.649 -8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.692 5.502 -9.352 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.431 3.220 -7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.883 4.955 -5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.385 5.287 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.869 6.195 -6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.757 3.770 -6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.813 4.966 -8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.626 3.236 -8.455 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.916 4.701 -11.815 1.00 0.00 N ATOM 1702 CA ASN A 104 -4.198 5.395 -13.082 1.00 0.00 C ATOM 1703 C ASN A 104 -2.980 5.482 -14.016 1.00 0.00 C ATOM 1704 O ASN A 104 -2.284 6.497 -14.056 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.702 6.807 -12.785 1.00 0.00 C ATOM 1706 CG ASN A 104 -6.182 6.837 -12.463 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -6.582 6.689 -11.309 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -7.006 7.029 -13.488 1.00 0.00 N ATOM 0 H ASN A 104 -4.729 4.612 -11.205 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.955 4.806 -13.600 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.142 7.221 -11.946 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.507 7.448 -13.645 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.014 7.058 -13.334 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.631 7.147 -14.429 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.752 4.408 -14.778 1.00 0.00 N ATOM 1716 CA GLY A 105 -1.643 4.357 -15.729 1.00 0.00 C ATOM 1717 C GLY A 105 -0.344 4.937 -15.194 1.00 0.00 C ATOM 1718 O GLY A 105 0.263 5.794 -15.833 1.00 0.00 O ATOM 0 H GLY A 105 -3.322 3.563 -14.753 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.474 3.320 -16.019 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.926 4.898 -16.632 1.00 0.00 H new ATOM 1722 N VAL A 106 0.077 4.464 -14.026 1.00 0.00 N ATOM 1723 CA VAL A 106 1.304 4.929 -13.391 1.00 0.00 C ATOM 1724 C VAL A 106 1.720 3.975 -12.276 1.00 0.00 C ATOM 1725 O VAL A 106 0.873 3.412 -11.583 1.00 0.00 O ATOM 1726 CB VAL A 106 1.127 6.342 -12.786 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.327 6.723 -11.930 1.00 0.00 C ATOM 1728 CG2 VAL A 106 0.901 7.376 -13.876 1.00 0.00 C ATOM 0 H VAL A 106 -0.421 3.750 -13.495 1.00 0.00 H new ATOM 0 HA VAL A 106 2.073 4.964 -14.163 1.00 0.00 H new ATOM 0 HB VAL A 106 0.244 6.321 -12.147 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.177 7.720 -11.517 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.436 6.006 -11.116 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.228 6.716 -12.543 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.780 8.360 -13.424 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.758 7.389 -14.549 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.003 7.122 -14.438 1.00 0.00 H new ATOM 1738 N CYS A 107 3.024 3.816 -12.087 1.00 0.00 N ATOM 1739 CA CYS A 107 3.535 2.952 -11.032 1.00 0.00 C ATOM 1740 C CYS A 107 3.527 3.708 -9.710 1.00 0.00 C ATOM 1741 O CYS A 107 4.199 4.730 -9.569 1.00 0.00 O ATOM 1742 CB CYS A 107 4.949 2.471 -11.365 1.00 0.00 C ATOM 1743 SG CYS A 107 5.613 1.267 -10.192 1.00 0.00 S ATOM 0 H CYS A 107 3.744 4.272 -12.648 1.00 0.00 H new ATOM 0 HA CYS A 107 2.893 2.075 -10.948 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.946 2.028 -12.361 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.615 3.333 -11.401 1.00 0.00 H new ATOM 0 HG CYS A 107 6.811 0.919 -10.559 1.00 0.00 H new ATOM 1749 N VAL A 108 2.746 3.223 -8.752 1.00 0.00 N ATOM 1750 CA VAL A 108 2.638 3.885 -7.459 1.00 0.00 C ATOM 1751 C VAL A 108 2.994 2.955 -6.307 1.00 0.00 C ATOM 1752 O VAL A 108 3.185 1.754 -6.492 1.00 0.00 O ATOM 1753 CB VAL A 108 1.222 4.438 -7.238 1.00 0.00 C ATOM 1754 CG1 VAL A 108 0.907 5.513 -8.269 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.200 3.314 -7.293 1.00 0.00 C ATOM 0 H VAL A 108 2.181 2.379 -8.846 1.00 0.00 H new ATOM 0 HA VAL A 108 3.354 4.707 -7.474 1.00 0.00 H new ATOM 0 HB VAL A 108 1.173 4.892 -6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.100 5.896 -8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.625 6.328 -8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.970 5.086 -9.270 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.798 3.722 -7.135 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.244 2.830 -8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.421 2.583 -6.515 1.00 0.00 H new ATOM 1765 N ILE A 109 3.089 3.536 -5.119 1.00 0.00 N ATOM 1766 CA ILE A 109 3.431 2.793 -3.918 1.00 0.00 C ATOM 1767 C ILE A 109 2.687 3.340 -2.703 1.00 0.00 C ATOM 1768 O ILE A 109 2.973 4.445 -2.239 1.00 0.00 O ATOM 1769 CB ILE A 109 4.945 2.862 -3.638 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.747 2.649 -4.930 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.334 1.838 -2.581 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.245 2.593 -4.715 1.00 0.00 C ATOM 0 H ILE A 109 2.932 4.532 -4.963 1.00 0.00 H new ATOM 0 HA ILE A 109 3.137 1.757 -4.089 1.00 0.00 H new ATOM 0 HB ILE A 109 5.182 3.855 -3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.422 1.721 -5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.519 3.456 -5.626 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.406 1.898 -2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.792 2.044 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.083 0.838 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.744 2.441 -5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.585 3.530 -4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.486 1.768 -4.045 1.00 0.00 H new ATOM 1784 N TRP A 110 1.742 2.562 -2.181 1.00 0.00 N ATOM 1785 CA TRP A 110 0.978 2.977 -1.008 1.00 0.00 C ATOM 1786 C TRP A 110 1.556 2.337 0.248 1.00 0.00 C ATOM 1787 O TRP A 110 1.825 1.136 0.273 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.501 2.597 -1.150 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.313 2.917 0.072 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -2.148 3.984 0.255 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.359 2.163 1.288 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.705 3.939 1.511 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -2.236 2.830 2.165 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.743 0.987 1.722 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.508 2.359 3.448 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -1.014 0.523 2.990 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -1.889 1.204 3.843 1.00 0.00 C ATOM 0 H TRP A 110 1.488 1.645 -2.550 1.00 0.00 H new ATOM 0 HA TRP A 110 1.048 4.062 -0.926 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.924 3.121 -2.007 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.577 1.530 -1.360 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.342 4.751 -0.480 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.361 4.620 1.894 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.066 0.451 1.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.183 2.886 4.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.541 -0.385 3.333 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.079 0.811 4.831 1.00 0.00 H new ATOM 1808 N LYS A 111 1.748 3.140 1.288 1.00 0.00 N ATOM 1809 CA LYS A 111 2.294 2.633 2.539 1.00 0.00 C ATOM 1810 C LYS A 111 1.783 3.434 3.735 1.00 0.00 C ATOM 1811 O LYS A 111 1.599 4.648 3.652 1.00 0.00 O ATOM 1812 CB LYS A 111 3.826 2.657 2.501 1.00 0.00 C ATOM 1813 CG LYS A 111 4.427 4.041 2.695 1.00 0.00 C ATOM 1814 CD LYS A 111 4.118 4.955 1.519 1.00 0.00 C ATOM 1815 CE LYS A 111 5.377 5.609 0.973 1.00 0.00 C ATOM 1816 NZ LYS A 111 6.045 4.762 -0.056 1.00 0.00 N ATOM 0 H LYS A 111 1.535 4.138 1.290 1.00 0.00 H new ATOM 0 HA LYS A 111 1.958 1.603 2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.209 1.994 3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.162 2.257 1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 111 4.037 4.482 3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.507 3.956 2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.633 4.381 0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.413 5.726 1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 111 5.124 6.576 0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 111 6.071 5.800 1.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 6.596 5.366 -0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 6.680 4.084 0.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.325 4.244 -0.600 1.00 0.00 H new ATOM 1830 N GLY A 112 1.563 2.741 4.845 1.00 0.00 N ATOM 1831 CA GLY A 112 1.081 3.393 6.050 1.00 0.00 C ATOM 1832 C GLY A 112 0.990 2.437 7.222 1.00 0.00 C ATOM 1833 O GLY A 112 1.056 1.220 7.039 1.00 0.00 O ATOM 0 H GLY A 112 1.710 1.736 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.747 4.217 6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.099 3.825 5.859 1.00 0.00 H new ATOM 1837 N TRP A 113 0.834 2.979 8.429 1.00 0.00 N ATOM 1838 CA TRP A 113 0.731 2.142 9.619 1.00 0.00 C ATOM 1839 C TRP A 113 -0.674 2.177 10.200 1.00 0.00 C ATOM 1840 O TRP A 113 -1.377 3.185 10.111 1.00 0.00 O ATOM 1841 CB TRP A 113 1.749 2.553 10.690 1.00 0.00 C ATOM 1842 CG TRP A 113 1.607 3.966 11.170 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.431 5.015 10.879 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.596 4.480 12.043 1.00 0.00 C ATOM 1845 NE1 TRP A 113 1.985 6.152 11.508 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.862 5.850 12.229 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.514 3.918 12.683 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 0.062 6.663 13.028 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.306 4.727 13.477 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -1.015 6.087 13.641 1.00 0.00 C ATOM 0 H TRP A 113 0.777 3.982 8.606 1.00 0.00 H new ATOM 0 HA TRP A 113 0.955 1.122 9.307 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.652 1.881 11.543 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.754 2.417 10.290 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.305 4.959 10.247 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.421 7.072 11.447 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.748 2.871 12.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.285 7.712 13.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.163 4.303 13.979 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.655 6.693 14.265 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.061 1.065 10.815 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.370 0.943 11.442 1.00 0.00 C ATOM 1863 C ILE A 114 -2.198 0.665 12.924 1.00 0.00 C ATOM 1864 O ILE A 114 -1.259 -0.024 13.321 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.224 -0.196 10.829 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.795 -0.510 9.393 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.699 0.172 10.872 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -3.004 0.643 8.437 1.00 0.00 C ATOM 0 H ILE A 114 -0.481 0.230 10.892 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.891 1.885 11.272 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.063 -1.093 11.427 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.741 -0.789 9.389 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.354 -1.374 9.036 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.288 -0.636 10.439 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -5.005 0.330 11.906 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.863 1.087 10.302 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.679 0.351 7.438 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.061 0.908 8.412 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.423 1.502 8.771 1.00 0.00 H new ATOM 1880 N ASP A 115 -3.104 1.183 13.741 1.00 0.00 N ATOM 1881 CA ASP A 115 -3.018 0.960 15.174 1.00 0.00 C ATOM 1882 C ASP A 115 -3.696 -0.363 15.520 1.00 0.00 C ATOM 1883 O ASP A 115 -4.788 -0.664 15.035 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.635 2.134 15.944 1.00 0.00 C ATOM 1885 CG ASP A 115 -5.109 1.953 16.226 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.437 1.162 17.131 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -5.932 2.603 15.548 1.00 0.00 O ATOM 0 H ASP A 115 -3.895 1.752 13.441 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.971 0.900 15.472 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.104 2.260 16.888 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.491 3.051 15.372 1.00 0.00 H new ATOM 1892 N LEU A 116 -3.009 -1.164 16.321 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.492 -2.488 16.700 1.00 0.00 C ATOM 1894 C LEU A 116 -4.624 -2.454 17.730 1.00 0.00 C ATOM 1895 O LEU A 116 -4.963 -3.486 18.309 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.322 -3.313 17.230 1.00 0.00 C ATOM 1897 CG LEU A 116 -1.039 -3.212 16.394 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.193 -3.206 17.287 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -0.969 -4.349 15.382 1.00 0.00 C ATOM 0 H LEU A 116 -2.106 -0.918 16.726 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.913 -2.946 15.805 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.102 -2.995 18.249 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.625 -4.359 17.281 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.062 -2.269 15.848 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.089 -3.134 16.670 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.148 -2.352 17.963 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.226 -4.128 17.868 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.053 -4.261 14.798 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.974 -5.304 15.907 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.830 -4.296 14.716 1.00 0.00 H new ATOM 1911 N HIS A 117 -5.222 -1.287 17.952 1.00 0.00 N ATOM 1912 CA HIS A 117 -6.321 -1.180 18.906 1.00 0.00 C ATOM 1913 C HIS A 117 -7.622 -0.822 18.188 1.00 0.00 C ATOM 1914 O HIS A 117 -8.565 -1.612 18.150 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.999 -0.126 19.969 1.00 0.00 C ATOM 1916 CG HIS A 117 -7.126 0.138 20.920 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -8.369 0.632 20.703 1.00 0.00 N flip ATOM 1918 CD2 HIS A 117 -7.045 -0.109 22.274 1.00 0.00 C flip ATOM 1919 CE1 HIS A 117 -9.008 0.672 21.918 1.00 0.00 C flip ATOM 1920 NE2 HIS A 117 -8.189 0.220 22.849 1.00 0.00 N flip ATOM 0 H HIS A 117 -4.969 -0.413 17.491 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.449 -2.146 19.394 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -5.126 -0.450 20.536 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -5.729 0.806 19.473 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -6.182 -0.509 22.785 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -10.018 1.018 22.085 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -8.402 0.138 23.843 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.651 0.374 17.618 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.818 0.863 16.889 1.00 0.00 C ATOM 1931 C ARG A 118 -8.755 0.467 15.412 1.00 0.00 C ATOM 1932 O ARG A 118 -9.770 0.485 14.717 1.00 0.00 O ATOM 1933 CB ARG A 118 -8.936 2.391 17.009 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.937 3.025 17.968 1.00 0.00 C ATOM 1935 CD ARG A 118 -8.093 4.537 18.015 1.00 0.00 C ATOM 1936 NE ARG A 118 -7.795 5.079 19.338 1.00 0.00 N ATOM 1937 CZ ARG A 118 -6.562 5.302 19.787 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -5.510 5.028 19.026 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -6.380 5.800 21.003 1.00 0.00 N ATOM 0 H ARG A 118 -6.872 1.032 17.646 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.698 0.401 17.336 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.803 2.832 16.021 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.945 2.641 17.337 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.078 2.612 18.967 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.923 2.772 17.659 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.430 4.992 17.279 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -9.112 4.805 17.735 1.00 0.00 H new ATOM 0 HE ARG A 118 -8.578 5.300 19.954 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -5.643 4.644 18.091 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.568 5.201 19.377 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -7.185 6.012 21.593 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -5.435 5.971 21.348 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.554 0.126 14.938 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.349 -0.258 13.538 1.00 0.00 C ATOM 1955 C LEU A 119 -7.288 0.973 12.639 1.00 0.00 C ATOM 1956 O LEU A 119 -7.527 0.897 11.433 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.454 -1.196 13.060 1.00 0.00 C ATOM 1958 CG LEU A 119 -8.839 -2.307 14.043 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -9.686 -3.361 13.348 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -7.597 -2.938 14.655 1.00 0.00 C ATOM 0 H LEU A 119 -6.706 0.108 15.505 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.396 -0.783 13.477 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.342 -0.603 12.841 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.138 -1.655 12.123 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.428 -1.865 14.847 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.951 -4.143 14.060 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.595 -2.900 12.961 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.121 -3.797 12.524 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.893 -3.724 15.350 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.979 -3.365 13.865 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.028 -2.177 15.189 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.959 2.105 13.242 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.848 3.366 12.520 1.00 0.00 C ATOM 1974 C ASP A 120 -5.419 3.892 12.601 1.00 0.00 C ATOM 1975 O ASP A 120 -4.745 3.717 13.616 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.823 4.395 13.100 1.00 0.00 C ATOM 1977 CG ASP A 120 -8.662 5.065 12.030 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -8.146 5.986 11.362 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -9.835 4.671 11.862 1.00 0.00 O ATOM 0 H ASP A 120 -6.762 2.177 14.240 1.00 0.00 H new ATOM 0 HA ASP A 120 -7.101 3.195 11.474 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -8.480 3.904 13.818 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.263 5.154 13.647 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.953 4.533 11.532 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.600 5.060 11.529 1.00 0.00 C ATOM 1986 C GLY A 121 -3.381 6.145 10.495 1.00 0.00 C ATOM 1987 O GLY A 121 -4.239 7.003 10.290 1.00 0.00 O ATOM 0 H GLY A 121 -5.483 4.696 10.676 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.371 5.458 12.517 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.901 4.245 11.344 1.00 0.00 H new ATOM 1991 N MET A 122 -2.217 6.113 9.848 1.00 0.00 N ATOM 1992 CA MET A 122 -1.876 7.108 8.836 1.00 0.00 C ATOM 1993 C MET A 122 -1.237 6.459 7.613 1.00 0.00 C ATOM 1994 O MET A 122 -0.399 5.566 7.737 1.00 0.00 O ATOM 1995 CB MET A 122 -0.922 8.152 9.419 1.00 0.00 C ATOM 1996 CG MET A 122 -1.427 8.795 10.699 1.00 0.00 C ATOM 1997 SD MET A 122 -0.846 10.489 10.901 1.00 0.00 S ATOM 1998 CE MET A 122 -2.389 11.390 10.783 1.00 0.00 C ATOM 0 H MET A 122 -1.496 5.409 10.007 1.00 0.00 H new ATOM 0 HA MET A 122 -2.801 7.594 8.525 1.00 0.00 H new ATOM 0 HB2 MET A 122 0.041 7.681 9.615 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.751 8.930 8.675 1.00 0.00 H new ATOM 0 HG2 MET A 122 -2.517 8.786 10.700 1.00 0.00 H new ATOM 0 HG3 MET A 122 -1.103 8.200 11.553 1.00 0.00 H new ATOM 0 HE1 MET A 122 -2.391 11.991 9.874 1.00 0.00 H new ATOM 0 HE2 MET A 122 -3.220 10.686 10.754 1.00 0.00 H new ATOM 0 HE3 MET A 122 -2.497 12.042 11.649 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.636 6.918 6.431 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.091 6.379 5.201 1.00 0.00 C ATOM 2010 C GLY A 123 -0.514 7.457 4.304 1.00 0.00 C ATOM 2011 O GLY A 123 -0.581 8.642 4.628 1.00 0.00 O ATOM 0 H GLY A 123 -2.329 7.656 6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.313 5.653 5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.874 5.843 4.664 1.00 0.00 H new ATOM 2015 N CYS A 124 0.053 7.046 3.176 1.00 0.00 N ATOM 2016 CA CYS A 124 0.644 7.989 2.232 1.00 0.00 C ATOM 2017 C CYS A 124 0.985 7.300 0.916 1.00 0.00 C ATOM 2018 O CYS A 124 1.444 6.158 0.903 1.00 0.00 O ATOM 2019 CB CYS A 124 1.904 8.619 2.834 1.00 0.00 C ATOM 2020 SG CYS A 124 2.777 9.747 1.720 1.00 0.00 S ATOM 0 H CYS A 124 0.116 6.068 2.892 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.087 8.772 2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 124 1.628 9.161 3.739 1.00 0.00 H new ATOM 0 HB3 CYS A 124 2.586 7.824 3.134 1.00 0.00 H new ATOM 0 HG CYS A 124 2.829 9.227 0.530 1.00 0.00 H new ATOM 2026 N LEU A 125 0.764 8.003 -0.191 1.00 0.00 N ATOM 2027 CA LEU A 125 1.058 7.452 -1.509 1.00 0.00 C ATOM 2028 C LEU A 125 2.411 7.949 -2.013 1.00 0.00 C ATOM 2029 O LEU A 125 2.905 8.988 -1.578 1.00 0.00 O ATOM 2030 CB LEU A 125 -0.039 7.828 -2.512 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.336 7.024 -2.405 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.269 7.360 -3.559 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -1.037 5.534 -2.378 1.00 0.00 C ATOM 0 H LEU A 125 0.385 8.950 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 125 1.093 6.366 -1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.276 8.884 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.359 7.709 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.832 7.293 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.186 6.779 -3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.509 8.423 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.781 7.119 -4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.971 4.977 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.519 5.250 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.407 5.305 -1.519 1.00 0.00 H new ATOM 2045 N GLU A 126 3.002 7.197 -2.934 1.00 0.00 N ATOM 2046 CA GLU A 126 4.293 7.551 -3.507 1.00 0.00 C ATOM 2047 C GLU A 126 4.384 7.025 -4.933 1.00 0.00 C ATOM 2048 O GLU A 126 3.672 6.094 -5.297 1.00 0.00 O ATOM 2049 CB GLU A 126 5.431 6.978 -2.661 1.00 0.00 C ATOM 2050 CG GLU A 126 6.715 7.789 -2.739 1.00 0.00 C ATOM 2051 CD GLU A 126 6.563 9.178 -2.151 1.00 0.00 C ATOM 2052 OE1 GLU A 126 6.334 9.284 -0.927 1.00 0.00 O ATOM 2053 OE2 GLU A 126 6.673 10.161 -2.914 1.00 0.00 O ATOM 0 H GLU A 126 2.604 6.333 -3.301 1.00 0.00 H new ATOM 0 HA GLU A 126 4.386 8.637 -3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.108 6.924 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 126 5.635 5.958 -2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 126 7.508 7.259 -2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 126 7.026 7.871 -3.780 1.00 0.00 H new ATOM 2060 N PHE A 127 5.249 7.617 -5.743 1.00 0.00 N ATOM 2061 CA PHE A 127 5.400 7.180 -7.117 1.00 0.00 C ATOM 2062 C PHE A 127 6.739 6.466 -7.293 1.00 0.00 C ATOM 2063 O PHE A 127 7.727 6.811 -6.644 1.00 0.00 O ATOM 2064 CB PHE A 127 5.272 8.383 -8.056 1.00 0.00 C ATOM 2065 CG PHE A 127 5.939 8.198 -9.380 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.309 8.283 -9.482 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.194 7.938 -10.517 1.00 0.00 C ATOM 2068 CE1 PHE A 127 7.937 8.112 -10.699 1.00 0.00 C ATOM 2069 CE2 PHE A 127 5.813 7.767 -11.738 1.00 0.00 C ATOM 2070 CZ PHE A 127 7.188 7.853 -11.830 1.00 0.00 C ATOM 0 H PHE A 127 5.851 8.395 -5.473 1.00 0.00 H new ATOM 0 HA PHE A 127 4.611 6.471 -7.368 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.215 8.591 -8.220 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.697 9.259 -7.566 1.00 0.00 H new ATOM 0 HD1 PHE A 127 7.899 8.486 -8.600 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.118 7.868 -10.448 1.00 0.00 H new ATOM 0 HE1 PHE A 127 9.013 8.181 -10.767 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.223 7.566 -12.620 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.676 7.718 -12.784 1.00 0.00 H new ATOM 2080 N ASP A 128 6.763 5.464 -8.166 1.00 0.00 N ATOM 2081 CA ASP A 128 7.979 4.697 -8.412 1.00 0.00 C ATOM 2082 C ASP A 128 8.806 5.319 -9.535 1.00 0.00 C ATOM 2083 O ASP A 128 8.412 5.283 -10.699 1.00 0.00 O ATOM 2084 CB ASP A 128 7.629 3.252 -8.766 1.00 0.00 C ATOM 2085 CG ASP A 128 8.730 2.280 -8.386 1.00 0.00 C ATOM 2086 OD1 ASP A 128 9.910 2.690 -8.393 1.00 0.00 O ATOM 2087 OD2 ASP A 128 8.412 1.111 -8.084 1.00 0.00 O ATOM 0 H ASP A 128 5.956 5.165 -8.714 1.00 0.00 H new ATOM 0 HA ASP A 128 8.575 4.711 -7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.707 2.969 -8.257 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.438 3.179 -9.837 1.00 0.00 H new ATOM 2092 N GLU A 129 9.954 5.889 -9.177 1.00 0.00 N ATOM 2093 CA GLU A 129 10.839 6.518 -10.154 1.00 0.00 C ATOM 2094 C GLU A 129 11.852 5.518 -10.707 1.00 0.00 C ATOM 2095 O GLU A 129 12.314 5.651 -11.840 1.00 0.00 O ATOM 2096 CB GLU A 129 11.570 7.706 -9.518 1.00 0.00 C ATOM 2097 CG GLU A 129 11.056 9.061 -9.981 1.00 0.00 C ATOM 2098 CD GLU A 129 12.086 10.162 -9.820 1.00 0.00 C ATOM 2099 OE1 GLU A 129 13.030 10.216 -10.638 1.00 0.00 O ATOM 2100 OE2 GLU A 129 11.949 10.971 -8.879 1.00 0.00 O ATOM 0 H GLU A 129 10.294 5.928 -8.216 1.00 0.00 H new ATOM 0 HA GLU A 129 10.226 6.874 -10.982 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.474 7.642 -8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.633 7.633 -9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.761 8.995 -11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.162 9.319 -9.414 1.00 0.00 H new