USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 873 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 40 LYS NZ :NH3+ -155:sc= 0 (180deg=0) USER MOD Set 1.2: A 106 MET CE :methyl -151:sc= -0.23 (180deg=-0.964) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.094 X(o=-0.094,f=-0.1) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 10 ASN : amide:sc= 0.7 K(o=0.7,f=-4.9!) USER MOD Single : A 13 GLN : amide:sc= -0.516 K(o=-0.52,f=-1.1) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 98:sc= 1.24 USER MOD Single : A 32 HIS : no HD1:sc= -2.26 K(o=-2.3,f=-4.3!) USER MOD Single : A 37 THR OG1 : rot 167:sc= 1.12 USER MOD Single : A 38 CYS SG : rot -24:sc= -1.84 USER MOD Single : A 39 MET CE :methyl -115:sc= -0.313 (180deg=-1.35) USER MOD Single : A 41 MET CE :methyl 171:sc= -9.63! (180deg=-11!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -106:sc= -0.169 (180deg=-1.11) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.0073) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -45:sc= 0.305 USER MOD Single : A 79 CYS SG : rot 47:sc= -0.787 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.876 K(o=-0.88,f=-4.8!) USER MOD Single : A 88 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0257) USER MOD Single : A 89 HIS : no HD1:sc= -4.96! K(o=-5!,f=-3.7) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.2) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc=-0.00923 K(o=-0.0092,f=-1.9) USER MOD Single : A 112 MET CE :methyl -125:sc= -10.5! (180deg=-13.9!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0904 USER MOD Single : A 120 TYR OH : rot 133:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 35 N MET A 4 -7.568 8.697 -11.108 1.00 0.00 N ATOM 36 CA MET A 4 -6.331 9.424 -10.849 1.00 0.00 C ATOM 37 C MET A 4 -5.626 8.876 -9.613 1.00 0.00 C ATOM 38 O MET A 4 -6.206 8.109 -8.845 1.00 0.00 O ATOM 39 CB MET A 4 -6.620 10.915 -10.666 1.00 0.00 C ATOM 40 CG MET A 4 -7.572 11.483 -11.705 1.00 0.00 C ATOM 41 SD MET A 4 -7.165 13.176 -12.171 1.00 0.00 S ATOM 42 CE MET A 4 -5.925 12.891 -13.432 1.00 0.00 C ATOM 0 HA MET A 4 -5.674 9.291 -11.709 1.00 0.00 H new ATOM 0 HB2 MET A 4 -7.041 11.076 -9.674 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.680 11.466 -10.707 1.00 0.00 H new ATOM 0 HG2 MET A 4 -7.552 10.852 -12.593 1.00 0.00 H new ATOM 0 HG3 MET A 4 -8.589 11.453 -11.315 1.00 0.00 H new ATOM 0 HE1 MET A 4 -5.574 13.847 -13.820 1.00 0.00 H new ATOM 0 HE2 MET A 4 -5.087 12.344 -13.001 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.359 12.308 -14.244 1.00 0.00 H new ATOM 52 N LEU A 5 -4.369 9.273 -9.428 1.00 0.00 N ATOM 53 CA LEU A 5 -3.579 8.823 -8.289 1.00 0.00 C ATOM 54 C LEU A 5 -4.347 9.003 -6.978 1.00 0.00 C ATOM 55 O LEU A 5 -4.503 10.123 -6.493 1.00 0.00 O ATOM 56 CB LEU A 5 -2.258 9.592 -8.226 1.00 0.00 C ATOM 57 CG LEU A 5 -1.255 9.248 -9.328 1.00 0.00 C ATOM 58 CD1 LEU A 5 -1.521 10.081 -10.571 1.00 0.00 C ATOM 59 CD2 LEU A 5 0.168 9.461 -8.836 1.00 0.00 C ATOM 0 H LEU A 5 -3.876 9.908 -10.056 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.373 7.761 -8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.474 10.659 -8.273 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.791 9.403 -7.259 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.376 8.197 -9.589 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.797 9.822 -11.344 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.529 9.880 -10.935 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.428 11.139 -10.327 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.869 9.212 -9.632 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.301 10.504 -8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.355 8.820 -7.974 1.00 0.00 H new ATOM 71 N PRO A 6 -4.839 7.900 -6.384 1.00 0.00 N ATOM 72 CA PRO A 6 -5.591 7.953 -5.127 1.00 0.00 C ATOM 73 C PRO A 6 -4.696 8.240 -3.926 1.00 0.00 C ATOM 74 O PRO A 6 -3.814 7.449 -3.592 1.00 0.00 O ATOM 75 CB PRO A 6 -6.196 6.554 -5.018 1.00 0.00 C ATOM 76 CG PRO A 6 -5.253 5.678 -5.769 1.00 0.00 C ATOM 77 CD PRO A 6 -4.704 6.519 -6.889 1.00 0.00 C ATOM 0 HA PRO A 6 -6.330 8.754 -5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.285 6.241 -3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.197 6.520 -5.448 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.452 5.321 -5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -5.765 4.797 -6.158 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -3.665 6.271 -7.105 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.265 6.373 -7.812 1.00 0.00 H new ATOM 85 N HIS A 7 -4.932 9.376 -3.281 1.00 0.00 N ATOM 86 CA HIS A 7 -4.150 9.770 -2.114 1.00 0.00 C ATOM 87 C HIS A 7 -4.993 9.698 -0.844 1.00 0.00 C ATOM 88 O HIS A 7 -6.201 9.468 -0.901 1.00 0.00 O ATOM 89 CB HIS A 7 -3.603 11.188 -2.296 1.00 0.00 C ATOM 90 CG HIS A 7 -4.648 12.188 -2.679 1.00 0.00 C ATOM 91 ND1 HIS A 7 -4.883 12.568 -3.984 1.00 0.00 N ATOM 92 CD2 HIS A 7 -5.525 12.889 -1.921 1.00 0.00 C ATOM 93 CE1 HIS A 7 -5.858 13.461 -4.011 1.00 0.00 C ATOM 94 NE2 HIS A 7 -6.264 13.671 -2.773 1.00 0.00 N ATOM 0 H HIS A 7 -5.659 10.041 -3.546 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.316 9.075 -2.015 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.129 11.508 -1.368 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.827 11.174 -3.062 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.624 12.841 -0.847 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -6.254 13.937 -4.896 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -7.007 14.311 -2.494 1.00 0.00 H new ATOM 103 N LEU A 8 -4.346 9.896 0.301 1.00 0.00 N ATOM 104 CA LEU A 8 -5.036 9.855 1.586 1.00 0.00 C ATOM 105 C LEU A 8 -5.023 11.226 2.253 1.00 0.00 C ATOM 106 O LEU A 8 -4.553 12.205 1.672 1.00 0.00 O ATOM 107 CB LEU A 8 -4.385 8.818 2.505 1.00 0.00 C ATOM 108 CG LEU A 8 -5.042 7.437 2.490 1.00 0.00 C ATOM 109 CD1 LEU A 8 -3.999 6.347 2.684 1.00 0.00 C ATOM 110 CD2 LEU A 8 -6.116 7.346 3.564 1.00 0.00 C ATOM 0 H LEU A 8 -3.346 10.086 0.365 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.072 9.569 1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.338 8.709 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.400 9.200 3.526 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.514 7.291 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.485 5.372 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.265 6.398 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.498 6.489 3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.573 6.357 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.667 7.513 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.879 8.103 3.381 1.00 0.00 H new ATOM 122 N HIS A 9 -5.541 11.291 3.475 1.00 0.00 N ATOM 123 CA HIS A 9 -5.587 12.544 4.219 1.00 0.00 C ATOM 124 C HIS A 9 -5.070 12.354 5.641 1.00 0.00 C ATOM 125 O HIS A 9 -3.979 12.812 5.982 1.00 0.00 O ATOM 126 CB HIS A 9 -7.016 13.089 4.253 1.00 0.00 C ATOM 127 CG HIS A 9 -7.332 14.014 3.118 1.00 0.00 C ATOM 128 ND1 HIS A 9 -7.433 13.591 1.809 1.00 0.00 N ATOM 129 CD2 HIS A 9 -7.568 15.347 3.102 1.00 0.00 C ATOM 130 CE1 HIS A 9 -7.719 14.625 1.037 1.00 0.00 C ATOM 131 NE2 HIS A 9 -7.806 15.701 1.796 1.00 0.00 N ATOM 0 H HIS A 9 -5.935 10.491 3.971 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.943 13.262 3.711 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.715 12.253 4.235 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.173 13.616 5.194 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -7.569 16.008 3.956 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -7.858 14.594 -0.034 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -8.016 16.643 1.466 1.00 0.00 H new ATOM 140 N ASN A 10 -5.859 11.675 6.468 1.00 0.00 N ATOM 141 CA ASN A 10 -5.480 11.425 7.854 1.00 0.00 C ATOM 142 C ASN A 10 -6.047 10.095 8.341 1.00 0.00 C ATOM 143 O ASN A 10 -6.553 9.297 7.553 1.00 0.00 O ATOM 144 CB ASN A 10 -5.971 12.564 8.751 1.00 0.00 C ATOM 145 CG ASN A 10 -4.962 12.932 9.821 1.00 0.00 C ATOM 146 OD1 ASN A 10 -4.724 12.167 10.756 1.00 0.00 O ATOM 147 ND2 ASN A 10 -4.363 14.110 9.690 1.00 0.00 N ATOM 0 H ASN A 10 -6.765 11.288 6.202 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.392 11.375 7.905 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.183 13.440 8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.908 12.272 9.224 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.675 14.412 10.380 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.590 14.713 8.899 1.00 0.00 H new ATOM 154 N GLY A 11 -5.958 9.864 9.648 1.00 0.00 N ATOM 155 CA GLY A 11 -6.466 8.630 10.220 1.00 0.00 C ATOM 156 C GLY A 11 -7.942 8.424 9.944 1.00 0.00 C ATOM 157 O GLY A 11 -8.424 7.292 9.923 1.00 0.00 O ATOM 0 H GLY A 11 -5.543 10.509 10.320 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.904 7.788 9.816 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.299 8.637 11.297 1.00 0.00 H new ATOM 161 N TRP A 12 -8.663 9.521 9.732 1.00 0.00 N ATOM 162 CA TRP A 12 -10.094 9.455 9.458 1.00 0.00 C ATOM 163 C TRP A 12 -10.373 8.604 8.223 1.00 0.00 C ATOM 164 O TRP A 12 -11.307 7.801 8.207 1.00 0.00 O ATOM 165 CB TRP A 12 -10.664 10.861 9.261 1.00 0.00 C ATOM 166 CG TRP A 12 -10.424 11.767 10.429 1.00 0.00 C ATOM 167 CD1 TRP A 12 -9.730 12.942 10.425 1.00 0.00 C ATOM 168 CD2 TRP A 12 -10.876 11.572 11.774 1.00 0.00 C ATOM 169 NE1 TRP A 12 -9.724 13.491 11.686 1.00 0.00 N ATOM 170 CE2 TRP A 12 -10.420 12.668 12.530 1.00 0.00 C ATOM 171 CE3 TRP A 12 -11.623 10.577 12.411 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -10.688 12.796 13.891 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -11.888 10.706 13.762 1.00 0.00 C ATOM 174 CH2 TRP A 12 -11.421 11.808 14.489 1.00 0.00 C ATOM 0 H TRP A 12 -8.279 10.466 9.745 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.581 8.990 10.316 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -10.220 11.304 8.369 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -11.737 10.789 9.081 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -9.255 13.377 9.558 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -9.274 14.368 11.949 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -11.986 9.723 11.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -10.330 13.645 14.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.465 9.944 14.265 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -11.644 11.879 15.543 1.00 0.00 H new ATOM 185 N GLN A 13 -9.556 8.783 7.190 1.00 0.00 N ATOM 186 CA GLN A 13 -9.715 8.031 5.951 1.00 0.00 C ATOM 187 C GLN A 13 -8.910 6.736 5.993 1.00 0.00 C ATOM 188 O GLN A 13 -9.298 5.732 5.393 1.00 0.00 O ATOM 189 CB GLN A 13 -9.274 8.879 4.756 1.00 0.00 C ATOM 190 CG GLN A 13 -10.109 10.133 4.558 1.00 0.00 C ATOM 191 CD GLN A 13 -9.886 10.775 3.203 1.00 0.00 C ATOM 192 OE1 GLN A 13 -9.642 10.088 2.211 1.00 0.00 O ATOM 193 NE2 GLN A 13 -9.966 12.099 3.156 1.00 0.00 N ATOM 0 H GLN A 13 -8.778 9.442 7.187 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.770 7.779 5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.231 9.165 4.889 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.325 8.272 3.852 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.164 9.883 4.668 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.868 10.852 5.341 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.171 12.628 4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.823 12.588 2.272 1.00 0.00 H new ATOM 202 N VAL A 14 -7.790 6.763 6.707 1.00 0.00 N ATOM 203 CA VAL A 14 -6.932 5.591 6.829 1.00 0.00 C ATOM 204 C VAL A 14 -7.608 4.497 7.650 1.00 0.00 C ATOM 205 O VAL A 14 -7.441 3.309 7.376 1.00 0.00 O ATOM 206 CB VAL A 14 -5.583 5.947 7.484 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.644 4.751 7.459 1.00 0.00 C ATOM 208 CG2 VAL A 14 -4.949 7.144 6.790 1.00 0.00 C ATOM 0 H VAL A 14 -7.455 7.585 7.210 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.752 5.225 5.818 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.767 6.215 8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.697 5.022 7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.095 3.923 8.006 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.466 4.449 6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.998 7.379 7.267 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.779 6.908 5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.615 8.003 6.866 1.00 0.00 H new ATOM 218 N ASP A 15 -8.374 4.908 8.656 1.00 0.00 N ATOM 219 CA ASP A 15 -9.075 3.962 9.517 1.00 0.00 C ATOM 220 C ASP A 15 -10.464 3.650 8.968 1.00 0.00 C ATOM 221 O ASP A 15 -10.987 2.554 9.167 1.00 0.00 O ATOM 222 CB ASP A 15 -9.190 4.523 10.936 1.00 0.00 C ATOM 223 CG ASP A 15 -7.862 4.521 11.667 1.00 0.00 C ATOM 224 OD1 ASP A 15 -7.100 3.544 11.512 1.00 0.00 O ATOM 225 OD2 ASP A 15 -7.584 5.497 12.395 1.00 0.00 O ATOM 0 H ASP A 15 -8.525 5.888 8.895 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.499 3.037 9.543 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.575 5.542 10.891 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.913 3.933 11.500 1.00 0.00 H new ATOM 230 N GLN A 16 -11.055 4.619 8.278 1.00 0.00 N ATOM 231 CA GLN A 16 -12.384 4.446 7.702 1.00 0.00 C ATOM 232 C GLN A 16 -12.315 3.657 6.399 1.00 0.00 C ATOM 233 O GLN A 16 -13.248 2.933 6.050 1.00 0.00 O ATOM 234 CB GLN A 16 -13.036 5.807 7.454 1.00 0.00 C ATOM 235 CG GLN A 16 -14.442 5.713 6.886 1.00 0.00 C ATOM 236 CD GLN A 16 -15.009 7.067 6.504 1.00 0.00 C ATOM 237 OE1 GLN A 16 -14.508 7.729 5.595 1.00 0.00 O ATOM 238 NE2 GLN A 16 -16.059 7.487 7.201 1.00 0.00 N ATOM 0 H GLN A 16 -10.635 5.532 8.104 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.990 3.884 8.413 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.068 6.361 8.392 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.413 6.379 6.767 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.433 5.067 6.008 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -15.096 5.244 7.621 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.442 6.906 7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.482 8.391 6.991 1.00 0.00 H new ATOM 247 N ALA A 17 -11.206 3.801 5.682 1.00 0.00 N ATOM 248 CA ALA A 17 -11.018 3.103 4.416 1.00 0.00 C ATOM 249 C ALA A 17 -10.485 1.691 4.640 1.00 0.00 C ATOM 250 O ALA A 17 -10.897 0.747 3.965 1.00 0.00 O ATOM 251 CB ALA A 17 -10.075 3.888 3.516 1.00 0.00 C ATOM 0 H ALA A 17 -10.423 4.395 5.956 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.989 3.023 3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.943 3.355 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.496 4.874 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.109 3.998 4.009 1.00 0.00 H new ATOM 257 N ILE A 18 -9.567 1.553 5.591 1.00 0.00 N ATOM 258 CA ILE A 18 -8.978 0.257 5.902 1.00 0.00 C ATOM 259 C ILE A 18 -10.045 -0.742 6.340 1.00 0.00 C ATOM 260 O ILE A 18 -10.049 -1.893 5.903 1.00 0.00 O ATOM 261 CB ILE A 18 -7.908 0.376 7.006 1.00 0.00 C ATOM 262 CG1 ILE A 18 -7.224 -0.973 7.235 1.00 0.00 C ATOM 263 CG2 ILE A 18 -8.530 0.888 8.297 1.00 0.00 C ATOM 264 CD1 ILE A 18 -5.879 -0.860 7.921 1.00 0.00 C ATOM 0 H ILE A 18 -9.215 2.323 6.159 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.504 -0.104 4.989 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.154 1.093 6.681 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.877 -1.605 7.836 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.092 -1.472 6.275 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.761 0.966 9.065 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.971 1.870 8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.304 0.196 8.627 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.452 -1.854 8.051 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.209 -0.254 7.311 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.006 -0.390 8.896 1.00 0.00 H new ATOM 276 N LEU A 19 -10.947 -0.295 7.206 1.00 0.00 N ATOM 277 CA LEU A 19 -12.019 -1.149 7.705 1.00 0.00 C ATOM 278 C LEU A 19 -13.163 -1.233 6.700 1.00 0.00 C ATOM 279 O LEU A 19 -13.871 -2.238 6.632 1.00 0.00 O ATOM 280 CB LEU A 19 -12.539 -0.622 9.044 1.00 0.00 C ATOM 281 CG LEU A 19 -11.751 -1.085 10.271 1.00 0.00 C ATOM 282 CD1 LEU A 19 -12.059 -0.198 11.467 1.00 0.00 C ATOM 283 CD2 LEU A 19 -12.063 -2.539 10.587 1.00 0.00 C ATOM 0 H LEU A 19 -10.958 0.655 7.578 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.613 -2.150 7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.532 0.468 9.016 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.578 -0.931 9.160 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.687 -1.004 10.049 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.490 -0.542 12.331 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.784 0.831 11.237 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.125 -0.247 11.691 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.494 -2.851 11.463 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.129 -2.647 10.790 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.791 -3.163 9.736 1.00 0.00 H new ATOM 295 N SER A 20 -13.340 -0.171 5.919 1.00 0.00 N ATOM 296 CA SER A 20 -14.400 -0.125 4.918 1.00 0.00 C ATOM 297 C SER A 20 -14.255 -1.264 3.916 1.00 0.00 C ATOM 298 O SER A 20 -15.245 -1.755 3.371 1.00 0.00 O ATOM 299 CB SER A 20 -14.381 1.219 4.187 1.00 0.00 C ATOM 300 OG SER A 20 -15.256 2.148 4.802 1.00 0.00 O ATOM 0 H SER A 20 -12.763 0.669 5.960 1.00 0.00 H new ATOM 0 HA SER A 20 -15.355 -0.239 5.432 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.367 1.619 4.182 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.672 1.074 3.147 1.00 0.00 H new ATOM 0 HG SER A 20 -14.746 2.730 5.403 1.00 0.00 H new ATOM 306 N GLU A 21 -13.017 -1.683 3.674 1.00 0.00 N ATOM 307 CA GLU A 21 -12.746 -2.766 2.736 1.00 0.00 C ATOM 308 C GLU A 21 -13.342 -4.079 3.232 1.00 0.00 C ATOM 309 O GLU A 21 -14.418 -4.487 2.792 1.00 0.00 O ATOM 310 CB GLU A 21 -11.237 -2.917 2.521 1.00 0.00 C ATOM 311 CG GLU A 21 -10.748 -2.319 1.213 1.00 0.00 C ATOM 312 CD GLU A 21 -11.504 -2.849 0.010 1.00 0.00 C ATOM 313 OE1 GLU A 21 -11.686 -4.081 -0.081 1.00 0.00 O ATOM 314 OE2 GLU A 21 -11.913 -2.031 -0.841 1.00 0.00 O ATOM 0 H GLU A 21 -12.186 -1.289 4.115 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.215 -2.517 1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.711 -2.441 3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.979 -3.976 2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.851 -1.235 1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.686 -2.535 1.094 1.00 0.00 H new ATOM 321 N GLU A 22 -12.638 -4.742 4.144 1.00 0.00 N ATOM 322 CA GLU A 22 -13.099 -6.013 4.693 1.00 0.00 C ATOM 323 C GLU A 22 -13.446 -6.996 3.578 1.00 0.00 C ATOM 324 O GLU A 22 -14.266 -7.896 3.762 1.00 0.00 O ATOM 325 CB GLU A 22 -14.319 -5.792 5.590 1.00 0.00 C ATOM 326 CG GLU A 22 -13.972 -5.242 6.964 1.00 0.00 C ATOM 327 CD GLU A 22 -13.446 -6.310 7.903 1.00 0.00 C ATOM 328 OE1 GLU A 22 -13.895 -7.471 7.793 1.00 0.00 O ATOM 329 OE2 GLU A 22 -12.585 -5.986 8.748 1.00 0.00 O ATOM 0 H GLU A 22 -11.746 -4.420 4.519 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.290 -6.437 5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -15.004 -5.104 5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.848 -6.738 5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.224 -4.456 6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.858 -4.783 7.402 1.00 0.00 H new ATOM 336 N ASP A 23 -12.817 -6.816 2.419 1.00 0.00 N ATOM 337 CA ASP A 23 -13.061 -7.685 1.274 1.00 0.00 C ATOM 338 C ASP A 23 -11.795 -8.438 0.885 1.00 0.00 C ATOM 339 O ASP A 23 -11.842 -9.623 0.553 1.00 0.00 O ATOM 340 CB ASP A 23 -13.569 -6.869 0.085 1.00 0.00 C ATOM 341 CG ASP A 23 -15.059 -6.598 0.164 1.00 0.00 C ATOM 342 OD1 ASP A 23 -15.833 -7.571 0.287 1.00 0.00 O ATOM 343 OD2 ASP A 23 -15.452 -5.415 0.101 1.00 0.00 O ATOM 0 H ASP A 23 -12.135 -6.076 2.249 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.823 -8.412 1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.032 -5.921 0.042 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.348 -7.403 -0.839 1.00 0.00 H new ATOM 348 N ARG A 24 -10.666 -7.743 0.930 1.00 0.00 N ATOM 349 CA ARG A 24 -9.385 -8.350 0.583 1.00 0.00 C ATOM 350 C ARG A 24 -8.246 -7.735 1.383 1.00 0.00 C ATOM 351 O ARG A 24 -7.725 -8.352 2.311 1.00 0.00 O ATOM 352 CB ARG A 24 -9.115 -8.210 -0.917 1.00 0.00 C ATOM 353 CG ARG A 24 -8.380 -9.397 -1.516 1.00 0.00 C ATOM 354 CD ARG A 24 -7.529 -8.977 -2.704 1.00 0.00 C ATOM 355 NE ARG A 24 -6.145 -8.711 -2.320 1.00 0.00 N ATOM 356 CZ ARG A 24 -5.354 -7.835 -2.939 1.00 0.00 C ATOM 357 NH1 ARG A 24 -5.806 -7.128 -3.967 1.00 0.00 N ATOM 358 NH2 ARG A 24 -4.104 -7.667 -2.528 1.00 0.00 N ATOM 0 H ARG A 24 -10.610 -6.762 1.202 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.440 -9.409 0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.064 -8.080 -1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.530 -7.306 -1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.747 -9.856 -0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.100 -10.152 -1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.551 -9.761 -3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.957 -8.084 -3.159 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.760 -9.228 -1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.766 -7.253 -4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.194 -6.460 -4.435 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.749 -8.208 -1.739 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.497 -6.997 -3.001 1.00 0.00 H new ATOM 372 N VAL A 25 -7.857 -6.521 1.019 1.00 0.00 N ATOM 373 CA VAL A 25 -6.771 -5.837 1.711 1.00 0.00 C ATOM 374 C VAL A 25 -6.674 -4.368 1.298 1.00 0.00 C ATOM 375 O VAL A 25 -7.566 -3.829 0.642 1.00 0.00 O ATOM 376 CB VAL A 25 -5.421 -6.548 1.457 1.00 0.00 C ATOM 377 CG1 VAL A 25 -4.815 -6.128 0.126 1.00 0.00 C ATOM 378 CG2 VAL A 25 -4.449 -6.307 2.604 1.00 0.00 C ATOM 0 H VAL A 25 -8.274 -5.991 0.253 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.996 -5.875 2.777 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.617 -7.619 1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.867 -6.646 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.499 -6.385 -0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.644 -5.051 0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.509 -6.819 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.265 -5.238 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.876 -6.692 3.530 1.00 0.00 H new ATOM 388 N VAL A 26 -5.579 -3.731 1.693 1.00 0.00 N ATOM 389 CA VAL A 26 -5.339 -2.340 1.386 1.00 0.00 C ATOM 390 C VAL A 26 -3.846 -2.030 1.348 1.00 0.00 C ATOM 391 O VAL A 26 -3.069 -2.576 2.131 1.00 0.00 O ATOM 392 CB VAL A 26 -6.014 -1.404 2.409 1.00 0.00 C ATOM 393 CG1 VAL A 26 -6.117 0.010 1.858 1.00 0.00 C ATOM 394 CG2 VAL A 26 -7.385 -1.932 2.803 1.00 0.00 C ATOM 0 H VAL A 26 -4.836 -4.171 2.236 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.773 -2.163 0.402 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.393 -1.375 3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.596 0.654 2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.119 0.389 1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.710 0.002 0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.842 -1.255 3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.017 -1.999 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.280 -2.921 3.249 1.00 0.00 H new ATOM 404 N VAL A 27 -3.451 -1.145 0.437 1.00 0.00 N ATOM 405 CA VAL A 27 -2.053 -0.758 0.304 1.00 0.00 C ATOM 406 C VAL A 27 -1.859 0.708 0.686 1.00 0.00 C ATOM 407 O VAL A 27 -2.676 1.562 0.344 1.00 0.00 O ATOM 408 CB VAL A 27 -1.541 -0.987 -1.135 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.117 -0.474 -1.293 1.00 0.00 C ATOM 410 CG2 VAL A 27 -1.625 -2.461 -1.500 1.00 0.00 C ATOM 0 H VAL A 27 -4.081 -0.683 -0.219 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.476 -1.386 0.983 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.178 -0.425 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.221 -0.647 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.089 0.594 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.539 -1.001 -0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.261 -2.605 -2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.014 -3.042 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.661 -2.793 -1.435 1.00 0.00 H new ATOM 420 N ILE A 28 -0.775 0.992 1.401 1.00 0.00 N ATOM 421 CA ILE A 28 -0.478 2.353 1.832 1.00 0.00 C ATOM 422 C ILE A 28 1.007 2.666 1.686 1.00 0.00 C ATOM 423 O ILE A 28 1.859 1.908 2.148 1.00 0.00 O ATOM 424 CB ILE A 28 -0.900 2.581 3.296 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.353 2.149 3.504 1.00 0.00 C ATOM 426 CG2 ILE A 28 -0.717 4.041 3.682 1.00 0.00 C ATOM 427 CD1 ILE A 28 -2.509 0.674 3.804 1.00 0.00 C ATOM 0 H ILE A 28 -0.088 0.298 1.694 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.050 3.021 1.188 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.263 1.974 3.939 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.781 2.725 4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.927 2.392 2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.020 4.184 4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.331 4.319 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.331 4.668 3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.565 0.440 3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.112 0.090 2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.963 0.428 4.715 1.00 0.00 H new ATOM 439 N ARG A 29 1.309 3.788 1.042 1.00 0.00 N ATOM 440 CA ARG A 29 2.692 4.204 0.835 1.00 0.00 C ATOM 441 C ARG A 29 2.897 5.650 1.272 1.00 0.00 C ATOM 442 O ARG A 29 2.113 6.533 0.919 1.00 0.00 O ATOM 443 CB ARG A 29 3.080 4.043 -0.636 1.00 0.00 C ATOM 444 CG ARG A 29 4.549 4.317 -0.911 1.00 0.00 C ATOM 445 CD ARG A 29 5.025 3.601 -2.165 1.00 0.00 C ATOM 446 NE ARG A 29 6.380 3.074 -2.013 1.00 0.00 N ATOM 447 CZ ARG A 29 6.907 2.145 -2.808 1.00 0.00 C ATOM 448 NH1 ARG A 29 6.199 1.639 -3.810 1.00 0.00 N ATOM 449 NH2 ARG A 29 8.146 1.722 -2.601 1.00 0.00 N ATOM 0 H ARG A 29 0.614 4.426 0.654 1.00 0.00 H new ATOM 0 HA ARG A 29 3.332 3.566 1.444 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.842 3.029 -0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.474 4.719 -1.239 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.705 5.390 -1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.146 3.995 -0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.342 2.784 -2.397 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.996 4.290 -3.009 1.00 0.00 H new ATOM 0 HE ARG A 29 6.955 3.439 -1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.245 1.962 -3.975 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.608 0.928 -4.416 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.695 2.108 -1.833 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.550 1.010 -3.210 1.00 0.00 H new ATOM 463 N PHE A 30 3.955 5.887 2.040 1.00 0.00 N ATOM 464 CA PHE A 30 4.264 7.226 2.524 1.00 0.00 C ATOM 465 C PHE A 30 5.260 7.923 1.602 1.00 0.00 C ATOM 466 O PHE A 30 6.315 7.375 1.285 1.00 0.00 O ATOM 467 CB PHE A 30 4.828 7.161 3.945 1.00 0.00 C ATOM 468 CG PHE A 30 3.791 6.855 4.988 1.00 0.00 C ATOM 469 CD1 PHE A 30 3.262 5.581 5.105 1.00 0.00 C ATOM 470 CD2 PHE A 30 3.346 7.844 5.851 1.00 0.00 C ATOM 471 CE1 PHE A 30 2.308 5.297 6.064 1.00 0.00 C ATOM 472 CE2 PHE A 30 2.392 7.567 6.812 1.00 0.00 C ATOM 473 CZ PHE A 30 1.873 6.291 6.919 1.00 0.00 C ATOM 0 H PHE A 30 4.613 5.168 2.341 1.00 0.00 H new ATOM 0 HA PHE A 30 3.339 7.803 2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.607 6.399 3.984 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.302 8.113 4.183 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.599 4.800 4.439 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.749 8.843 5.772 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.903 4.299 6.145 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.053 8.347 7.478 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.128 6.071 7.670 1.00 0.00 H new ATOM 483 N GLY A 31 4.917 9.133 1.175 1.00 0.00 N ATOM 484 CA GLY A 31 5.790 9.885 0.293 1.00 0.00 C ATOM 485 C GLY A 31 5.022 10.710 -0.720 1.00 0.00 C ATOM 486 O GLY A 31 4.031 10.246 -1.286 1.00 0.00 O ATOM 0 H GLY A 31 4.049 9.607 1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.422 10.544 0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.452 9.196 -0.232 1.00 0.00 H new ATOM 490 N HIS A 32 5.478 11.936 -0.951 1.00 0.00 N ATOM 491 CA HIS A 32 4.827 12.828 -1.903 1.00 0.00 C ATOM 492 C HIS A 32 4.914 12.269 -3.320 1.00 0.00 C ATOM 493 O HIS A 32 5.810 11.487 -3.636 1.00 0.00 O ATOM 494 CB HIS A 32 5.462 14.218 -1.850 1.00 0.00 C ATOM 495 CG HIS A 32 6.938 14.211 -2.102 1.00 0.00 C ATOM 496 ND1 HIS A 32 7.674 15.362 -2.292 1.00 0.00 N ATOM 497 CD2 HIS A 32 7.817 13.185 -2.194 1.00 0.00 C ATOM 498 CE1 HIS A 32 8.942 15.043 -2.491 1.00 0.00 C ATOM 499 NE2 HIS A 32 9.054 13.729 -2.436 1.00 0.00 N ATOM 0 H HIS A 32 6.297 12.335 -0.492 1.00 0.00 H new ATOM 0 HA HIS A 32 3.775 12.907 -1.627 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.979 14.858 -2.588 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.271 14.659 -0.872 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.588 12.134 -2.095 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.748 15.739 -2.668 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.920 13.203 -2.554 1.00 0.00 H new ATOM 508 N ASP A 33 3.977 12.677 -4.169 1.00 0.00 N ATOM 509 CA ASP A 33 3.946 12.217 -5.554 1.00 0.00 C ATOM 510 C ASP A 33 5.232 12.592 -6.284 1.00 0.00 C ATOM 511 O ASP A 33 5.636 11.922 -7.234 1.00 0.00 O ATOM 512 CB ASP A 33 2.741 12.812 -6.283 1.00 0.00 C ATOM 513 CG ASP A 33 2.144 11.850 -7.293 1.00 0.00 C ATOM 514 OD1 ASP A 33 1.408 10.932 -6.875 1.00 0.00 O ATOM 515 OD2 ASP A 33 2.413 12.016 -8.501 1.00 0.00 O ATOM 0 H ASP A 33 3.229 13.325 -3.923 1.00 0.00 H new ATOM 0 HA ASP A 33 3.859 11.131 -5.547 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.979 13.089 -5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.043 13.728 -6.792 1.00 0.00 H new ATOM 520 N TRP A 34 5.872 13.668 -5.835 1.00 0.00 N ATOM 521 CA TRP A 34 7.113 14.133 -6.447 1.00 0.00 C ATOM 522 C TRP A 34 8.172 13.033 -6.440 1.00 0.00 C ATOM 523 O TRP A 34 9.024 12.975 -7.327 1.00 0.00 O ATOM 524 CB TRP A 34 7.638 15.366 -5.712 1.00 0.00 C ATOM 525 CG TRP A 34 8.292 16.365 -6.618 1.00 0.00 C ATOM 526 CD1 TRP A 34 9.606 16.736 -6.617 1.00 0.00 C ATOM 527 CD2 TRP A 34 7.661 17.121 -7.658 1.00 0.00 C ATOM 528 NE1 TRP A 34 9.830 17.677 -7.593 1.00 0.00 N ATOM 529 CE2 TRP A 34 8.653 17.930 -8.245 1.00 0.00 C ATOM 530 CE3 TRP A 34 6.355 17.192 -8.150 1.00 0.00 C ATOM 531 CZ2 TRP A 34 8.378 18.797 -9.299 1.00 0.00 C ATOM 532 CZ3 TRP A 34 6.083 18.054 -9.196 1.00 0.00 C ATOM 533 CH2 TRP A 34 7.091 18.847 -9.761 1.00 0.00 C ATOM 0 H TRP A 34 5.552 14.234 -5.049 1.00 0.00 H new ATOM 0 HA TRP A 34 6.899 14.399 -7.482 1.00 0.00 H new ATOM 0 HB2 TRP A 34 6.812 15.847 -5.189 1.00 0.00 H new ATOM 0 HB3 TRP A 34 8.355 15.050 -4.954 1.00 0.00 H new ATOM 0 HD1 TRP A 34 10.359 16.347 -5.947 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.728 18.116 -7.798 1.00 0.00 H new ATOM 0 HE3 TRP A 34 5.572 16.584 -7.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.153 19.409 -9.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 5.077 18.117 -9.584 1.00 0.00 H new ATOM 0 HH2 TRP A 34 6.847 19.511 -10.577 1.00 0.00 H new ATOM 544 N ASP A 35 8.112 12.166 -5.435 1.00 0.00 N ATOM 545 CA ASP A 35 9.067 11.070 -5.316 1.00 0.00 C ATOM 546 C ASP A 35 8.937 10.104 -6.492 1.00 0.00 C ATOM 547 O ASP A 35 7.842 9.893 -7.013 1.00 0.00 O ATOM 548 CB ASP A 35 8.853 10.323 -3.995 1.00 0.00 C ATOM 549 CG ASP A 35 10.064 10.398 -3.086 1.00 0.00 C ATOM 550 OD1 ASP A 35 10.196 11.400 -2.354 1.00 0.00 O ATOM 551 OD2 ASP A 35 10.881 9.453 -3.106 1.00 0.00 O ATOM 0 H ASP A 35 7.414 12.201 -4.692 1.00 0.00 H new ATOM 0 HA ASP A 35 10.072 11.491 -5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.989 10.742 -3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.624 9.278 -4.205 1.00 0.00 H new ATOM 556 N PRO A 36 10.058 9.502 -6.925 1.00 0.00 N ATOM 557 CA PRO A 36 10.061 8.555 -8.046 1.00 0.00 C ATOM 558 C PRO A 36 9.384 7.236 -7.691 1.00 0.00 C ATOM 559 O PRO A 36 8.562 6.725 -8.452 1.00 0.00 O ATOM 560 CB PRO A 36 11.550 8.335 -8.321 1.00 0.00 C ATOM 561 CG PRO A 36 12.223 8.619 -7.024 1.00 0.00 C ATOM 562 CD PRO A 36 11.407 9.695 -6.360 1.00 0.00 C ATOM 0 HA PRO A 36 9.508 8.937 -8.904 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.744 7.315 -8.652 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.909 8.999 -9.107 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.267 7.724 -6.403 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.250 8.949 -7.181 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.407 9.587 -5.275 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.797 10.689 -6.582 1.00 0.00 H new ATOM 570 N THR A 37 9.733 6.688 -6.531 1.00 0.00 N ATOM 571 CA THR A 37 9.165 5.433 -6.073 1.00 0.00 C ATOM 572 C THR A 37 7.643 5.504 -6.037 1.00 0.00 C ATOM 573 O THR A 37 6.958 4.500 -6.231 1.00 0.00 O ATOM 574 CB THR A 37 9.703 5.082 -4.684 1.00 0.00 C ATOM 575 OG1 THR A 37 11.108 5.257 -4.632 1.00 0.00 O ATOM 576 CG2 THR A 37 9.402 3.659 -4.268 1.00 0.00 C ATOM 0 H THR A 37 10.411 7.100 -5.890 1.00 0.00 H new ATOM 0 HA THR A 37 9.457 4.654 -6.777 1.00 0.00 H new ATOM 0 HB THR A 37 9.195 5.759 -3.997 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.407 5.230 -3.699 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.811 3.476 -3.274 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.323 3.506 -4.250 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.855 2.968 -4.979 1.00 0.00 H new ATOM 584 N CYS A 38 7.122 6.701 -5.790 1.00 0.00 N ATOM 585 CA CYS A 38 5.681 6.911 -5.730 1.00 0.00 C ATOM 586 C CYS A 38 5.068 6.885 -7.126 1.00 0.00 C ATOM 587 O CYS A 38 4.069 6.206 -7.365 1.00 0.00 O ATOM 588 CB CYS A 38 5.366 8.243 -5.047 1.00 0.00 C ATOM 589 SG CYS A 38 3.614 8.482 -4.666 1.00 0.00 S ATOM 0 H CYS A 38 7.677 7.541 -5.628 1.00 0.00 H new ATOM 0 HA CYS A 38 5.246 6.100 -5.147 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.940 8.310 -4.123 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.701 9.057 -5.690 1.00 0.00 H new ATOM 0 HG CYS A 38 2.893 7.747 -5.460 1.00 0.00 H new ATOM 595 N MET A 39 5.674 7.628 -8.046 1.00 0.00 N ATOM 596 CA MET A 39 5.188 7.690 -9.420 1.00 0.00 C ATOM 597 C MET A 39 5.205 6.307 -10.065 1.00 0.00 C ATOM 598 O MET A 39 4.338 5.978 -10.874 1.00 0.00 O ATOM 599 CB MET A 39 6.041 8.658 -10.242 1.00 0.00 C ATOM 600 CG MET A 39 6.090 10.064 -9.666 1.00 0.00 C ATOM 601 SD MET A 39 7.570 10.967 -10.161 1.00 0.00 S ATOM 602 CE MET A 39 7.011 12.659 -9.986 1.00 0.00 C ATOM 0 H MET A 39 6.502 8.195 -7.865 1.00 0.00 H new ATOM 0 HA MET A 39 4.159 8.050 -9.399 1.00 0.00 H new ATOM 0 HB2 MET A 39 7.056 8.267 -10.311 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.648 8.704 -11.258 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.207 10.616 -9.990 1.00 0.00 H new ATOM 0 HG3 MET A 39 6.050 10.008 -8.578 1.00 0.00 H new ATOM 0 HE1 MET A 39 6.994 13.140 -10.964 1.00 0.00 H new ATOM 0 HE2 MET A 39 6.008 12.669 -9.560 1.00 0.00 H new ATOM 0 HE3 MET A 39 7.690 13.200 -9.327 1.00 0.00 H new ATOM 612 N LYS A 40 6.197 5.502 -9.700 1.00 0.00 N ATOM 613 CA LYS A 40 6.327 4.154 -10.241 1.00 0.00 C ATOM 614 C LYS A 40 5.190 3.262 -9.753 1.00 0.00 C ATOM 615 O LYS A 40 4.680 2.426 -10.499 1.00 0.00 O ATOM 616 CB LYS A 40 7.675 3.550 -9.842 1.00 0.00 C ATOM 617 CG LYS A 40 8.386 2.841 -10.985 1.00 0.00 C ATOM 618 CD LYS A 40 9.450 3.725 -11.614 1.00 0.00 C ATOM 619 CE LYS A 40 9.645 3.400 -13.086 1.00 0.00 C ATOM 620 NZ LYS A 40 10.860 4.056 -13.643 1.00 0.00 N ATOM 0 H LYS A 40 6.923 5.760 -9.032 1.00 0.00 H new ATOM 0 HA LYS A 40 6.274 4.217 -11.328 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.319 4.341 -9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.520 2.843 -9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.845 1.924 -10.616 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.658 2.551 -11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.165 4.772 -11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.393 3.595 -11.083 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.725 2.320 -13.212 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.768 3.722 -13.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.749 4.178 -14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.989 4.986 -13.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.693 3.462 -13.454 1.00 0.00 H new ATOM 634 N MET A 41 4.802 3.442 -8.494 1.00 0.00 N ATOM 635 CA MET A 41 3.729 2.653 -7.901 1.00 0.00 C ATOM 636 C MET A 41 2.366 3.104 -8.416 1.00 0.00 C ATOM 637 O MET A 41 1.459 2.292 -8.595 1.00 0.00 O ATOM 638 CB MET A 41 3.772 2.766 -6.376 1.00 0.00 C ATOM 639 CG MET A 41 2.695 1.957 -5.674 1.00 0.00 C ATOM 640 SD MET A 41 2.260 2.633 -4.059 1.00 0.00 S ATOM 641 CE MET A 41 0.970 3.789 -4.513 1.00 0.00 C ATOM 0 H MET A 41 5.216 4.129 -7.864 1.00 0.00 H new ATOM 0 HA MET A 41 3.877 1.612 -8.189 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.749 2.437 -6.023 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.668 3.814 -6.095 1.00 0.00 H new ATOM 0 HG2 MET A 41 1.804 1.923 -6.301 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.039 0.930 -5.553 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.489 4.170 -3.612 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.405 4.619 -5.071 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.230 3.283 -5.133 1.00 0.00 H new ATOM 651 N ASP A 42 2.226 4.405 -8.648 1.00 0.00 N ATOM 652 CA ASP A 42 0.970 4.964 -9.138 1.00 0.00 C ATOM 653 C ASP A 42 0.828 4.758 -10.644 1.00 0.00 C ATOM 654 O ASP A 42 -0.209 4.292 -11.121 1.00 0.00 O ATOM 655 CB ASP A 42 0.889 6.455 -8.807 1.00 0.00 C ATOM 656 CG ASP A 42 0.492 6.706 -7.366 1.00 0.00 C ATOM 657 OD1 ASP A 42 1.392 6.747 -6.500 1.00 0.00 O ATOM 658 OD2 ASP A 42 -0.720 6.861 -7.102 1.00 0.00 O ATOM 0 H ASP A 42 2.966 5.092 -8.505 1.00 0.00 H new ATOM 0 HA ASP A 42 0.153 4.441 -8.641 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.855 6.921 -9.001 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.166 6.933 -9.469 1.00 0.00 H new ATOM 663 N GLU A 43 1.875 5.105 -11.386 1.00 0.00 N ATOM 664 CA GLU A 43 1.868 4.959 -12.838 1.00 0.00 C ATOM 665 C GLU A 43 1.554 3.521 -13.234 1.00 0.00 C ATOM 666 O GLU A 43 0.931 3.270 -14.266 1.00 0.00 O ATOM 667 CB GLU A 43 3.218 5.378 -13.421 1.00 0.00 C ATOM 668 CG GLU A 43 3.479 6.873 -13.339 1.00 0.00 C ATOM 669 CD GLU A 43 3.250 7.579 -14.661 1.00 0.00 C ATOM 670 OE1 GLU A 43 2.263 7.246 -15.349 1.00 0.00 O ATOM 671 OE2 GLU A 43 4.060 8.465 -15.008 1.00 0.00 O ATOM 0 H GLU A 43 2.740 5.490 -11.006 1.00 0.00 H new ATOM 0 HA GLU A 43 1.091 5.608 -13.241 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.012 4.850 -12.893 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.266 5.066 -14.464 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.829 7.310 -12.581 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.506 7.041 -13.015 1.00 0.00 H new ATOM 678 N VAL A 44 1.986 2.582 -12.402 1.00 0.00 N ATOM 679 CA VAL A 44 1.749 1.167 -12.656 1.00 0.00 C ATOM 680 C VAL A 44 0.394 0.736 -12.110 1.00 0.00 C ATOM 681 O VAL A 44 -0.295 -0.083 -12.712 1.00 0.00 O ATOM 682 CB VAL A 44 2.849 0.289 -12.029 1.00 0.00 C ATOM 683 CG1 VAL A 44 2.835 0.410 -10.511 1.00 0.00 C ATOM 684 CG2 VAL A 44 2.683 -1.162 -12.457 1.00 0.00 C ATOM 0 H VAL A 44 2.503 2.775 -11.544 1.00 0.00 H new ATOM 0 HA VAL A 44 1.764 1.031 -13.737 1.00 0.00 H new ATOM 0 HB VAL A 44 3.816 0.642 -12.388 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.619 -0.218 -10.089 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.009 1.448 -10.227 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.867 0.087 -10.129 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.469 -1.767 -12.005 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.710 -1.528 -12.131 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.752 -1.231 -13.543 1.00 0.00 H new ATOM 694 N LEU A 45 0.022 1.293 -10.961 1.00 0.00 N ATOM 695 CA LEU A 45 -1.250 0.971 -10.322 1.00 0.00 C ATOM 696 C LEU A 45 -2.400 1.007 -11.326 1.00 0.00 C ATOM 697 O LEU A 45 -3.214 0.086 -11.386 1.00 0.00 O ATOM 698 CB LEU A 45 -1.528 1.948 -9.176 1.00 0.00 C ATOM 699 CG LEU A 45 -1.745 1.296 -7.809 1.00 0.00 C ATOM 700 CD1 LEU A 45 -3.009 0.450 -7.817 1.00 0.00 C ATOM 701 CD2 LEU A 45 -0.538 0.453 -7.423 1.00 0.00 C ATOM 0 H LEU A 45 0.587 1.973 -10.451 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.178 -0.041 -9.924 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.693 2.644 -9.101 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.411 2.536 -9.426 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.865 2.084 -7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.148 -0.006 -6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.867 1.081 -8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.919 -0.332 -8.571 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.710 -0.003 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.387 -0.328 -8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.348 1.086 -7.376 1.00 0.00 H new ATOM 713 N TYR A 46 -2.464 2.079 -12.109 1.00 0.00 N ATOM 714 CA TYR A 46 -3.518 2.238 -13.107 1.00 0.00 C ATOM 715 C TYR A 46 -3.566 1.047 -14.063 1.00 0.00 C ATOM 716 O TYR A 46 -4.635 0.663 -14.537 1.00 0.00 O ATOM 717 CB TYR A 46 -3.308 3.529 -13.898 1.00 0.00 C ATOM 718 CG TYR A 46 -4.594 4.240 -14.252 1.00 0.00 C ATOM 719 CD1 TYR A 46 -5.585 4.441 -13.298 1.00 0.00 C ATOM 720 CD2 TYR A 46 -4.818 4.710 -15.540 1.00 0.00 C ATOM 721 CE1 TYR A 46 -6.762 5.089 -13.618 1.00 0.00 C ATOM 722 CE2 TYR A 46 -5.994 5.360 -15.867 1.00 0.00 C ATOM 723 CZ TYR A 46 -6.962 5.547 -14.903 1.00 0.00 C ATOM 724 OH TYR A 46 -8.133 6.194 -15.225 1.00 0.00 O ATOM 0 H TYR A 46 -1.799 2.851 -12.072 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.470 2.288 -12.578 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.679 4.203 -13.317 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.766 3.299 -14.815 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.432 4.085 -12.290 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.062 4.566 -16.298 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.522 5.236 -12.865 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.154 5.720 -16.873 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.114 6.453 -16.170 1.00 0.00 H new ATOM 734 N SER A 47 -2.403 0.472 -14.348 1.00 0.00 N ATOM 735 CA SER A 47 -2.315 -0.669 -15.255 1.00 0.00 C ATOM 736 C SER A 47 -2.448 -1.994 -14.505 1.00 0.00 C ATOM 737 O SER A 47 -2.825 -3.011 -15.088 1.00 0.00 O ATOM 738 CB SER A 47 -0.990 -0.636 -16.019 1.00 0.00 C ATOM 739 OG SER A 47 -0.960 0.438 -16.942 1.00 0.00 O ATOM 0 H SER A 47 -1.508 0.776 -13.965 1.00 0.00 H new ATOM 0 HA SER A 47 -3.143 -0.595 -15.960 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.163 -0.538 -15.315 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.848 -1.578 -16.548 1.00 0.00 H new ATOM 0 HG SER A 47 -0.102 0.438 -17.416 1.00 0.00 H new ATOM 745 N ILE A 48 -2.129 -1.979 -13.214 1.00 0.00 N ATOM 746 CA ILE A 48 -2.207 -3.183 -12.395 1.00 0.00 C ATOM 747 C ILE A 48 -3.191 -3.004 -11.241 1.00 0.00 C ATOM 748 O ILE A 48 -2.974 -3.515 -10.142 1.00 0.00 O ATOM 749 CB ILE A 48 -0.823 -3.561 -11.824 1.00 0.00 C ATOM 750 CG1 ILE A 48 -0.270 -2.423 -10.962 1.00 0.00 C ATOM 751 CG2 ILE A 48 0.143 -3.897 -12.951 1.00 0.00 C ATOM 752 CD1 ILE A 48 -0.274 -2.731 -9.480 1.00 0.00 C ATOM 0 H ILE A 48 -1.815 -1.148 -12.714 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.558 -3.986 -13.043 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.938 -4.444 -11.195 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.750 -2.202 -11.276 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.860 -1.524 -11.140 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.114 -4.161 -12.532 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.246 -4.738 -13.525 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.254 -3.032 -13.605 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.131 -1.881 -8.931 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.295 -2.922 -9.151 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.340 -3.612 -9.290 1.00 0.00 H new ATOM 764 N ALA A 49 -4.273 -2.277 -11.498 1.00 0.00 N ATOM 765 CA ALA A 49 -5.289 -2.032 -10.480 1.00 0.00 C ATOM 766 C ALA A 49 -6.519 -2.907 -10.704 1.00 0.00 C ATOM 767 O ALA A 49 -7.051 -3.499 -9.765 1.00 0.00 O ATOM 768 CB ALA A 49 -5.684 -0.563 -10.469 1.00 0.00 C ATOM 0 H ALA A 49 -4.469 -1.847 -12.402 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.862 -2.292 -9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.443 -0.396 -9.704 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.808 0.048 -10.250 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.085 -0.287 -11.444 1.00 0.00 H new ATOM 774 N GLU A 50 -6.969 -2.979 -11.955 1.00 0.00 N ATOM 775 CA GLU A 50 -8.140 -3.775 -12.309 1.00 0.00 C ATOM 776 C GLU A 50 -8.082 -5.167 -11.682 1.00 0.00 C ATOM 777 O GLU A 50 -9.115 -5.772 -11.398 1.00 0.00 O ATOM 778 CB GLU A 50 -8.257 -3.894 -13.829 1.00 0.00 C ATOM 779 CG GLU A 50 -6.962 -4.311 -14.508 1.00 0.00 C ATOM 780 CD GLU A 50 -6.960 -5.772 -14.913 1.00 0.00 C ATOM 781 OE1 GLU A 50 -7.567 -6.589 -14.189 1.00 0.00 O ATOM 782 OE2 GLU A 50 -6.352 -6.099 -15.953 1.00 0.00 O ATOM 0 H GLU A 50 -6.538 -2.494 -12.742 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.019 -3.264 -11.916 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.034 -4.620 -14.070 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.579 -2.936 -14.236 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.804 -3.693 -15.392 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.126 -4.123 -13.834 1.00 0.00 H new ATOM 789 N LYS A 51 -6.869 -5.668 -11.473 1.00 0.00 N ATOM 790 CA LYS A 51 -6.679 -6.988 -10.884 1.00 0.00 C ATOM 791 C LYS A 51 -7.023 -6.981 -9.398 1.00 0.00 C ATOM 792 O LYS A 51 -7.605 -7.934 -8.880 1.00 0.00 O ATOM 793 CB LYS A 51 -5.236 -7.454 -11.082 1.00 0.00 C ATOM 794 CG LYS A 51 -4.208 -6.543 -10.430 1.00 0.00 C ATOM 795 CD LYS A 51 -2.790 -6.959 -10.789 1.00 0.00 C ATOM 796 CE LYS A 51 -2.498 -6.727 -12.263 1.00 0.00 C ATOM 797 NZ LYS A 51 -2.664 -7.971 -13.063 1.00 0.00 N ATOM 0 H LYS A 51 -6.003 -5.180 -11.703 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.352 -7.681 -11.389 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.128 -8.459 -10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.027 -7.518 -12.150 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.378 -5.514 -10.747 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.333 -6.567 -9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.080 -6.396 -10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.647 -8.013 -10.550 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.165 -5.956 -12.648 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.480 -6.355 -12.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.729 -8.341 -13.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.170 -8.682 -12.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.209 -7.760 -13.923 1.00 0.00 H new ATOM 811 N VAL A 52 -6.657 -5.901 -8.714 1.00 0.00 N ATOM 812 CA VAL A 52 -6.925 -5.773 -7.286 1.00 0.00 C ATOM 813 C VAL A 52 -8.285 -5.130 -7.029 1.00 0.00 C ATOM 814 O VAL A 52 -8.890 -5.336 -5.977 1.00 0.00 O ATOM 815 CB VAL A 52 -5.836 -4.940 -6.585 1.00 0.00 C ATOM 816 CG1 VAL A 52 -4.492 -5.648 -6.658 1.00 0.00 C ATOM 817 CG2 VAL A 52 -5.749 -3.550 -7.195 1.00 0.00 C ATOM 0 H VAL A 52 -6.174 -5.102 -9.126 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.925 -6.783 -6.876 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.107 -4.833 -5.535 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.735 -5.044 -6.157 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.565 -6.619 -6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.211 -5.789 -7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.974 -2.977 -6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.503 -3.632 -8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.707 -3.043 -7.083 1.00 0.00 H new ATOM 827 N LYS A 53 -8.757 -4.344 -7.993 1.00 0.00 N ATOM 828 CA LYS A 53 -10.042 -3.664 -7.873 1.00 0.00 C ATOM 829 C LYS A 53 -11.132 -4.613 -7.379 1.00 0.00 C ATOM 830 O LYS A 53 -11.120 -5.804 -7.688 1.00 0.00 O ATOM 831 CB LYS A 53 -10.449 -3.061 -9.218 1.00 0.00 C ATOM 832 CG LYS A 53 -11.560 -2.030 -9.112 1.00 0.00 C ATOM 833 CD LYS A 53 -11.392 -0.920 -10.136 1.00 0.00 C ATOM 834 CE LYS A 53 -11.701 -1.408 -11.542 1.00 0.00 C ATOM 835 NZ LYS A 53 -11.080 -0.540 -12.581 1.00 0.00 N ATOM 0 H LYS A 53 -8.266 -4.162 -8.869 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.928 -2.867 -7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.576 -2.596 -9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.771 -3.862 -9.883 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.524 -2.517 -9.257 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.566 -1.603 -8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.051 -0.089 -9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.371 -0.540 -10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.339 -2.430 -11.659 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.781 -1.433 -11.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.315 -0.907 -13.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.444 0.430 -12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.047 -0.536 -12.458 1.00 0.00 H new ATOM 849 N ASN A 54 -12.076 -4.072 -6.613 1.00 0.00 N ATOM 850 CA ASN A 54 -13.179 -4.863 -6.074 1.00 0.00 C ATOM 851 C ASN A 54 -12.686 -5.868 -5.036 1.00 0.00 C ATOM 852 O ASN A 54 -13.351 -6.868 -4.766 1.00 0.00 O ATOM 853 CB ASN A 54 -13.911 -5.596 -7.202 1.00 0.00 C ATOM 854 CG ASN A 54 -15.362 -5.876 -6.864 1.00 0.00 C ATOM 855 OD1 ASN A 54 -15.791 -7.028 -6.823 1.00 0.00 O ATOM 856 ND2 ASN A 54 -16.127 -4.818 -6.618 1.00 0.00 N ATOM 0 H ASN A 54 -12.099 -3.086 -6.351 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.870 -4.177 -5.584 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.862 -4.998 -8.112 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.401 -6.537 -7.411 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -17.112 -4.944 -6.384 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.730 -3.880 -6.663 1.00 0.00 H new ATOM 863 N PHE A 55 -11.522 -5.596 -4.452 1.00 0.00 N ATOM 864 CA PHE A 55 -10.949 -6.480 -3.442 1.00 0.00 C ATOM 865 C PHE A 55 -9.997 -5.716 -2.531 1.00 0.00 C ATOM 866 O PHE A 55 -10.108 -5.765 -1.305 1.00 0.00 O ATOM 867 CB PHE A 55 -10.215 -7.645 -4.110 1.00 0.00 C ATOM 868 CG PHE A 55 -11.058 -8.401 -5.098 1.00 0.00 C ATOM 869 CD1 PHE A 55 -12.049 -9.267 -4.665 1.00 0.00 C ATOM 870 CD2 PHE A 55 -10.856 -8.246 -6.461 1.00 0.00 C ATOM 871 CE1 PHE A 55 -12.825 -9.963 -5.572 1.00 0.00 C ATOM 872 CE2 PHE A 55 -11.630 -8.940 -7.373 1.00 0.00 C ATOM 873 CZ PHE A 55 -12.615 -9.800 -6.927 1.00 0.00 C ATOM 0 H PHE A 55 -10.958 -4.772 -4.661 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.763 -6.876 -2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.330 -7.262 -4.618 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.867 -8.334 -3.340 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -12.217 -9.400 -3.606 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.086 -7.576 -6.814 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.595 -10.634 -5.221 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.465 -8.810 -8.432 1.00 0.00 H new ATOM 0 HZ PHE A 55 -13.220 -10.344 -7.637 1.00 0.00 H new ATOM 883 N ALA A 56 -9.061 -5.010 -3.144 1.00 0.00 N ATOM 884 CA ALA A 56 -8.083 -4.229 -2.402 1.00 0.00 C ATOM 885 C ALA A 56 -8.072 -2.780 -2.870 1.00 0.00 C ATOM 886 O ALA A 56 -8.564 -2.464 -3.954 1.00 0.00 O ATOM 887 CB ALA A 56 -6.698 -4.842 -2.544 1.00 0.00 C ATOM 0 H ALA A 56 -8.957 -4.961 -4.158 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.367 -4.243 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.977 -4.247 -1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.709 -5.860 -2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.414 -4.859 -3.596 1.00 0.00 H new ATOM 893 N VAL A 57 -7.505 -1.902 -2.051 1.00 0.00 N ATOM 894 CA VAL A 57 -7.428 -0.486 -2.389 1.00 0.00 C ATOM 895 C VAL A 57 -6.116 0.117 -1.907 1.00 0.00 C ATOM 896 O VAL A 57 -5.644 -0.192 -0.813 1.00 0.00 O ATOM 897 CB VAL A 57 -8.603 0.310 -1.785 1.00 0.00 C ATOM 898 CG1 VAL A 57 -9.847 0.160 -2.649 1.00 0.00 C ATOM 899 CG2 VAL A 57 -8.879 -0.131 -0.355 1.00 0.00 C ATOM 0 H VAL A 57 -7.093 -2.145 -1.150 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.483 -0.418 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.327 1.364 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.667 0.728 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.642 0.537 -3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.125 -0.892 -2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.712 0.445 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.132 -1.191 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.992 0.037 0.255 1.00 0.00 H new ATOM 909 N ILE A 58 -5.528 0.976 -2.731 1.00 0.00 N ATOM 910 CA ILE A 58 -4.266 1.618 -2.388 1.00 0.00 C ATOM 911 C ILE A 58 -4.450 3.122 -2.191 1.00 0.00 C ATOM 912 O ILE A 58 -5.465 3.688 -2.597 1.00 0.00 O ATOM 913 CB ILE A 58 -3.200 1.364 -3.474 1.00 0.00 C ATOM 914 CG1 ILE A 58 -1.816 1.754 -2.960 1.00 0.00 C ATOM 915 CG2 ILE A 58 -3.535 2.126 -4.751 1.00 0.00 C ATOM 916 CD1 ILE A 58 -0.682 1.132 -3.746 1.00 0.00 C ATOM 0 H ILE A 58 -5.905 1.244 -3.640 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.924 1.180 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.195 0.300 -3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.718 2.839 -2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.729 1.457 -1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.769 1.932 -5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.504 1.798 -5.127 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.571 3.194 -4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.271 1.453 -3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.755 0.046 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.744 1.449 -4.787 1.00 0.00 H new ATOM 928 N TYR A 59 -3.461 3.762 -1.575 1.00 0.00 N ATOM 929 CA TYR A 59 -3.508 5.188 -1.333 1.00 0.00 C ATOM 930 C TYR A 59 -2.135 5.721 -0.939 1.00 0.00 C ATOM 931 O TYR A 59 -1.419 5.103 -0.151 1.00 0.00 O ATOM 932 CB TYR A 59 -4.531 5.519 -0.244 1.00 0.00 C ATOM 933 CG TYR A 59 -5.953 5.617 -0.750 1.00 0.00 C ATOM 934 CD1 TYR A 59 -6.364 6.697 -1.521 1.00 0.00 C ATOM 935 CD2 TYR A 59 -6.885 4.630 -0.455 1.00 0.00 C ATOM 936 CE1 TYR A 59 -7.662 6.790 -1.983 1.00 0.00 C ATOM 937 CE2 TYR A 59 -8.185 4.716 -0.914 1.00 0.00 C ATOM 938 CZ TYR A 59 -8.569 5.798 -1.677 1.00 0.00 C ATOM 939 OH TYR A 59 -9.863 5.887 -2.136 1.00 0.00 O ATOM 0 H TYR A 59 -2.614 3.306 -1.235 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.814 5.673 -2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.483 4.754 0.531 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.256 6.464 0.224 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.657 7.477 -1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.588 3.781 0.143 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.965 7.636 -2.582 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.897 3.939 -0.676 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.372 5.107 -1.833 1.00 0.00 H new ATOM 949 N LEU A 60 -1.774 6.875 -1.492 1.00 0.00 N ATOM 950 CA LEU A 60 -0.488 7.495 -1.200 1.00 0.00 C ATOM 951 C LEU A 60 -0.616 8.505 -0.064 1.00 0.00 C ATOM 952 O LEU A 60 -1.214 9.568 -0.230 1.00 0.00 O ATOM 953 CB LEU A 60 0.065 8.185 -2.448 1.00 0.00 C ATOM 954 CG LEU A 60 0.549 7.239 -3.549 1.00 0.00 C ATOM 955 CD1 LEU A 60 1.711 6.392 -3.053 1.00 0.00 C ATOM 956 CD2 LEU A 60 -0.591 6.354 -4.029 1.00 0.00 C ATOM 0 H LEU A 60 -2.356 7.399 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 60 0.202 6.710 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.709 8.832 -2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.894 8.828 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 60 0.897 7.839 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.042 5.726 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.535 7.042 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.390 5.801 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.229 5.687 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.969 5.763 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.393 6.977 -4.425 1.00 0.00 H new ATOM 968 N VAL A 61 -0.051 8.165 1.090 1.00 0.00 N ATOM 969 CA VAL A 61 -0.102 9.042 2.252 1.00 0.00 C ATOM 970 C VAL A 61 0.952 10.140 2.158 1.00 0.00 C ATOM 971 O VAL A 61 2.143 9.860 2.017 1.00 0.00 O ATOM 972 CB VAL A 61 0.108 8.255 3.559 1.00 0.00 C ATOM 973 CG1 VAL A 61 -0.145 9.145 4.766 1.00 0.00 C ATOM 974 CG2 VAL A 61 -0.793 7.029 3.594 1.00 0.00 C ATOM 0 H VAL A 61 0.447 7.288 1.244 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.094 9.494 2.264 1.00 0.00 H new ATOM 0 HB VAL A 61 1.144 7.918 3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.008 8.571 5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.545 9.988 4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.170 9.514 4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.631 6.485 4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.835 7.342 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.559 6.381 2.749 1.00 0.00 H new ATOM 984 N ASP A 62 0.507 11.390 2.235 1.00 0.00 N ATOM 985 CA ASP A 62 1.413 12.531 2.157 1.00 0.00 C ATOM 986 C ASP A 62 2.092 12.781 3.499 1.00 0.00 C ATOM 987 O ASP A 62 1.426 12.965 4.519 1.00 0.00 O ATOM 988 CB ASP A 62 0.652 13.782 1.716 1.00 0.00 C ATOM 989 CG ASP A 62 1.505 14.710 0.871 1.00 0.00 C ATOM 990 OD1 ASP A 62 1.508 14.549 -0.367 1.00 0.00 O ATOM 991 OD2 ASP A 62 2.169 15.595 1.449 1.00 0.00 O ATOM 0 H ASP A 62 -0.475 11.639 2.351 1.00 0.00 H new ATOM 0 HA ASP A 62 2.182 12.302 1.420 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.230 13.486 1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.299 14.319 2.597 1.00 0.00 H new ATOM 996 N ILE A 63 3.422 12.788 3.491 1.00 0.00 N ATOM 997 CA ILE A 63 4.196 13.016 4.698 1.00 0.00 C ATOM 998 C ILE A 63 4.301 14.507 5.014 1.00 0.00 C ATOM 999 O ILE A 63 5.397 15.052 5.142 1.00 0.00 O ATOM 1000 CB ILE A 63 5.614 12.426 4.569 1.00 0.00 C ATOM 1001 CG1 ILE A 63 6.211 12.743 3.195 1.00 0.00 C ATOM 1002 CG2 ILE A 63 5.590 10.924 4.809 1.00 0.00 C ATOM 1003 CD1 ILE A 63 7.716 12.905 3.213 1.00 0.00 C ATOM 0 H ILE A 63 3.985 12.637 2.654 1.00 0.00 H new ATOM 0 HA ILE A 63 3.672 12.515 5.512 1.00 0.00 H new ATOM 0 HB ILE A 63 6.246 12.886 5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.948 11.945 2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.759 13.659 2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.600 10.524 4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.212 10.722 5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.941 10.448 4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.070 13.128 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.986 13.722 3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.177 11.982 3.563 1.00 0.00 H new ATOM 1015 N THR A 64 3.151 15.159 5.138 1.00 0.00 N ATOM 1016 CA THR A 64 3.107 16.585 5.440 1.00 0.00 C ATOM 1017 C THR A 64 1.711 16.995 5.897 1.00 0.00 C ATOM 1018 O THR A 64 1.557 17.731 6.871 1.00 0.00 O ATOM 1019 CB THR A 64 3.514 17.401 4.213 1.00 0.00 C ATOM 1020 OG1 THR A 64 4.624 16.809 3.562 1.00 0.00 O ATOM 1021 CG2 THR A 64 3.883 18.832 4.541 1.00 0.00 C ATOM 0 H THR A 64 2.235 14.722 5.034 1.00 0.00 H new ATOM 0 HA THR A 64 3.811 16.784 6.248 1.00 0.00 H new ATOM 0 HB THR A 64 2.636 17.408 3.567 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.295 16.552 4.228 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.162 19.355 3.626 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.030 19.332 4.999 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.724 18.841 5.235 1.00 0.00 H new ATOM 1029 N GLU A 65 0.697 16.510 5.187 1.00 0.00 N ATOM 1030 CA GLU A 65 -0.687 16.821 5.519 1.00 0.00 C ATOM 1031 C GLU A 65 -1.257 15.797 6.494 1.00 0.00 C ATOM 1032 O GLU A 65 -2.123 16.117 7.310 1.00 0.00 O ATOM 1033 CB GLU A 65 -1.540 16.865 4.249 1.00 0.00 C ATOM 1034 CG GLU A 65 -2.640 17.913 4.292 1.00 0.00 C ATOM 1035 CD GLU A 65 -2.806 18.637 2.969 1.00 0.00 C ATOM 1036 OE1 GLU A 65 -1.814 19.217 2.481 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -3.929 18.622 2.421 1.00 0.00 O ATOM 0 H GLU A 65 0.809 15.900 4.378 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.708 17.800 5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.894 17.063 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.989 15.885 4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.582 17.435 4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.415 18.639 5.074 1.00 0.00 H new ATOM 1044 N VAL A 66 -0.769 14.563 6.404 1.00 0.00 N ATOM 1045 CA VAL A 66 -1.235 13.493 7.280 1.00 0.00 C ATOM 1046 C VAL A 66 -0.522 13.525 8.632 1.00 0.00 C ATOM 1047 O VAL A 66 -1.162 13.423 9.677 1.00 0.00 O ATOM 1048 CB VAL A 66 -1.039 12.104 6.639 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -1.822 11.049 7.405 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -1.451 12.125 5.173 1.00 0.00 C ATOM 0 H VAL A 66 -0.053 14.280 5.735 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.300 13.664 7.434 1.00 0.00 H new ATOM 0 HB VAL A 66 0.019 11.848 6.689 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.672 10.075 6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.473 11.015 8.437 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.883 11.300 7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.305 11.136 4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.502 12.404 5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.842 12.851 4.634 1.00 0.00 H new ATOM 1060 N PRO A 67 0.818 13.668 8.636 1.00 0.00 N ATOM 1061 CA PRO A 67 1.600 13.712 9.876 1.00 0.00 C ATOM 1062 C PRO A 67 1.025 14.695 10.891 1.00 0.00 C ATOM 1063 O PRO A 67 0.895 15.887 10.611 1.00 0.00 O ATOM 1064 CB PRO A 67 2.981 14.174 9.409 1.00 0.00 C ATOM 1065 CG PRO A 67 3.071 13.719 7.995 1.00 0.00 C ATOM 1066 CD PRO A 67 1.675 13.800 7.440 1.00 0.00 C ATOM 0 HA PRO A 67 1.607 12.749 10.386 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.083 15.257 9.484 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.772 13.736 10.017 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.754 14.350 7.426 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.455 12.700 7.937 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.502 14.745 6.925 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.483 13.005 6.719 1.00 0.00 H new ATOM 1235 N ASP A 77 11.901 10.759 4.737 1.00 0.00 N ATOM 1236 CA ASP A 77 12.554 9.674 4.014 1.00 0.00 C ATOM 1237 C ASP A 77 12.171 9.700 2.535 1.00 0.00 C ATOM 1238 O ASP A 77 11.207 10.360 2.147 1.00 0.00 O ATOM 1239 CB ASP A 77 12.176 8.325 4.627 1.00 0.00 C ATOM 1240 CG ASP A 77 13.195 7.845 5.643 1.00 0.00 C ATOM 1241 OD1 ASP A 77 14.407 7.981 5.375 1.00 0.00 O ATOM 1242 OD2 ASP A 77 12.781 7.335 6.704 1.00 0.00 O ATOM 0 HA ASP A 77 13.632 9.812 4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.200 8.407 5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.080 7.583 3.834 1.00 0.00 H new ATOM 1247 N PRO A 78 12.924 8.977 1.688 1.00 0.00 N ATOM 1248 CA PRO A 78 12.657 8.922 0.247 1.00 0.00 C ATOM 1249 C PRO A 78 11.272 8.361 -0.062 1.00 0.00 C ATOM 1250 O PRO A 78 10.449 9.029 -0.689 1.00 0.00 O ATOM 1251 CB PRO A 78 13.747 7.987 -0.295 1.00 0.00 C ATOM 1252 CG PRO A 78 14.247 7.236 0.893 1.00 0.00 C ATOM 1253 CD PRO A 78 14.090 8.161 2.065 1.00 0.00 C ATOM 0 HA PRO A 78 12.673 9.914 -0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.345 7.309 -1.048 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.549 8.552 -0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.678 6.318 1.042 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.290 6.947 0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.917 7.613 2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.979 8.773 2.218 1.00 0.00 H new ATOM 1261 N CYS A 79 11.021 7.135 0.383 1.00 0.00 N ATOM 1262 CA CYS A 79 9.735 6.487 0.155 1.00 0.00 C ATOM 1263 C CYS A 79 9.689 5.118 0.827 1.00 0.00 C ATOM 1264 O CYS A 79 10.721 4.566 1.203 1.00 0.00 O ATOM 1265 CB CYS A 79 9.471 6.343 -1.346 1.00 0.00 C ATOM 1266 SG CYS A 79 8.298 7.550 -2.008 1.00 0.00 S ATOM 0 H CYS A 79 11.691 6.570 0.904 1.00 0.00 H new ATOM 0 HA CYS A 79 8.958 7.113 0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 79 10.416 6.439 -1.881 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.094 5.340 -1.543 1.00 0.00 H new ATOM 0 HG CYS A 79 8.601 8.735 -1.569 1.00 0.00 H new ATOM 1272 N THR A 80 8.483 4.577 0.972 1.00 0.00 N ATOM 1273 CA THR A 80 8.298 3.272 1.596 1.00 0.00 C ATOM 1274 C THR A 80 6.826 2.878 1.602 1.00 0.00 C ATOM 1275 O THR A 80 5.964 3.667 1.990 1.00 0.00 O ATOM 1276 CB THR A 80 8.832 3.283 3.030 1.00 0.00 C ATOM 1277 OG1 THR A 80 8.755 1.989 3.600 1.00 0.00 O ATOM 1278 CG2 THR A 80 8.077 4.229 3.940 1.00 0.00 C ATOM 0 H THR A 80 7.619 5.023 0.665 1.00 0.00 H new ATOM 0 HA THR A 80 8.856 2.540 1.012 1.00 0.00 H new ATOM 0 HB THR A 80 9.865 3.622 2.954 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.102 2.014 4.516 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.505 4.189 4.942 1.00 0.00 H new ATOM 0 HG22 THR A 80 8.153 5.245 3.553 1.00 0.00 H new ATOM 0 HG23 THR A 80 7.028 3.934 3.982 1.00 0.00 H new ATOM 1286 N VAL A 81 6.542 1.655 1.171 1.00 0.00 N ATOM 1287 CA VAL A 81 5.175 1.165 1.129 1.00 0.00 C ATOM 1288 C VAL A 81 4.933 0.090 2.186 1.00 0.00 C ATOM 1289 O VAL A 81 5.873 -0.531 2.682 1.00 0.00 O ATOM 1290 CB VAL A 81 4.834 0.608 -0.269 1.00 0.00 C ATOM 1291 CG1 VAL A 81 5.403 -0.793 -0.460 1.00 0.00 C ATOM 1292 CG2 VAL A 81 3.330 0.620 -0.499 1.00 0.00 C ATOM 0 H VAL A 81 7.241 0.987 0.846 1.00 0.00 H new ATOM 0 HA VAL A 81 4.522 2.011 1.344 1.00 0.00 H new ATOM 0 HB VAL A 81 5.299 1.257 -1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.146 -1.158 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.487 -0.763 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.983 -1.462 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.110 0.223 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.842 0.003 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.959 1.642 -0.427 1.00 0.00 H new ATOM 1302 N MET A 82 3.665 -0.125 2.523 1.00 0.00 N ATOM 1303 CA MET A 82 3.293 -1.123 3.518 1.00 0.00 C ATOM 1304 C MET A 82 1.854 -1.585 3.312 1.00 0.00 C ATOM 1305 O MET A 82 0.998 -0.809 2.888 1.00 0.00 O ATOM 1306 CB MET A 82 3.464 -0.555 4.930 1.00 0.00 C ATOM 1307 CG MET A 82 4.796 -0.908 5.571 1.00 0.00 C ATOM 1308 SD MET A 82 5.496 0.458 6.517 1.00 0.00 S ATOM 1309 CE MET A 82 4.340 0.553 7.882 1.00 0.00 C ATOM 0 H MET A 82 2.876 0.381 2.120 1.00 0.00 H new ATOM 0 HA MET A 82 3.952 -1.983 3.399 1.00 0.00 H new ATOM 0 HB2 MET A 82 3.366 0.530 4.891 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.657 -0.926 5.562 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.662 -1.768 6.227 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.501 -1.206 4.795 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.639 1.355 8.557 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.340 0.756 7.499 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.336 -0.394 8.422 1.00 0.00 H new ATOM 1319 N PHE A 83 1.594 -2.853 3.613 1.00 0.00 N ATOM 1320 CA PHE A 83 0.258 -3.416 3.459 1.00 0.00 C ATOM 1321 C PHE A 83 -0.495 -3.401 4.785 1.00 0.00 C ATOM 1322 O PHE A 83 0.108 -3.501 5.853 1.00 0.00 O ATOM 1323 CB PHE A 83 0.343 -4.846 2.923 1.00 0.00 C ATOM 1324 CG PHE A 83 0.440 -4.922 1.426 1.00 0.00 C ATOM 1325 CD1 PHE A 83 1.621 -4.600 0.778 1.00 0.00 C ATOM 1326 CD2 PHE A 83 -0.651 -5.318 0.667 1.00 0.00 C ATOM 1327 CE1 PHE A 83 1.713 -4.669 -0.599 1.00 0.00 C ATOM 1328 CE2 PHE A 83 -0.564 -5.389 -0.710 1.00 0.00 C ATOM 1329 CZ PHE A 83 0.619 -5.064 -1.344 1.00 0.00 C ATOM 0 H PHE A 83 2.291 -3.510 3.965 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.289 -2.800 2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.212 -5.338 3.361 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.536 -5.401 3.250 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.480 -4.291 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.579 -5.574 1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.639 -4.414 -1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.421 -5.698 -1.290 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.689 -5.119 -2.420 1.00 0.00 H new ATOM 1339 N PHE A 84 -1.817 -3.276 4.709 1.00 0.00 N ATOM 1340 CA PHE A 84 -2.649 -3.250 5.906 1.00 0.00 C ATOM 1341 C PHE A 84 -3.940 -4.035 5.690 1.00 0.00 C ATOM 1342 O PHE A 84 -4.599 -3.894 4.659 1.00 0.00 O ATOM 1343 CB PHE A 84 -2.973 -1.805 6.295 1.00 0.00 C ATOM 1344 CG PHE A 84 -2.261 -1.344 7.535 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -2.764 -1.644 8.791 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -1.089 -0.611 7.445 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -2.112 -1.222 9.933 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -0.432 -0.185 8.584 1.00 0.00 C ATOM 1349 CZ PHE A 84 -0.945 -0.491 9.830 1.00 0.00 C ATOM 0 H PHE A 84 -2.333 -3.191 3.833 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.092 -3.721 6.716 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.709 -1.146 5.468 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.048 -1.710 6.447 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.677 -2.215 8.878 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.684 -0.370 6.473 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.514 -1.463 10.906 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.481 0.386 8.500 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.434 -0.159 10.722 1.00 0.00 H new ATOM 1359 N PHE A 85 -4.296 -4.858 6.670 1.00 0.00 N ATOM 1360 CA PHE A 85 -5.507 -5.664 6.590 1.00 0.00 C ATOM 1361 C PHE A 85 -6.137 -5.834 7.969 1.00 0.00 C ATOM 1362 O PHE A 85 -5.438 -5.884 8.980 1.00 0.00 O ATOM 1363 CB PHE A 85 -5.197 -7.036 5.990 1.00 0.00 C ATOM 1364 CG PHE A 85 -6.413 -7.897 5.800 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -7.500 -7.433 5.078 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -6.468 -9.170 6.344 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -8.621 -8.223 4.902 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -7.585 -9.965 6.171 1.00 0.00 C ATOM 1369 CZ PHE A 85 -8.663 -9.490 5.449 1.00 0.00 C ATOM 0 H PHE A 85 -3.762 -4.984 7.530 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.215 -5.145 5.944 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.705 -6.900 5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.491 -7.556 6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.472 -6.443 4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.628 -9.545 6.910 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.463 -7.850 4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -7.615 -10.956 6.599 1.00 0.00 H new ATOM 0 HZ PHE A 85 -9.537 -10.109 5.313 1.00 0.00 H new ATOM 1379 N ARG A 86 -7.463 -5.922 8.001 1.00 0.00 N ATOM 1380 CA ARG A 86 -8.192 -6.088 9.256 1.00 0.00 C ATOM 1381 C ARG A 86 -7.783 -5.023 10.271 1.00 0.00 C ATOM 1382 O ARG A 86 -7.798 -5.265 11.478 1.00 0.00 O ATOM 1383 CB ARG A 86 -7.942 -7.481 9.834 1.00 0.00 C ATOM 1384 CG ARG A 86 -9.055 -7.970 10.746 1.00 0.00 C ATOM 1385 CD ARG A 86 -8.616 -9.174 11.564 1.00 0.00 C ATOM 1386 NE ARG A 86 -9.687 -9.671 12.424 1.00 0.00 N ATOM 1387 CZ ARG A 86 -10.055 -9.089 13.564 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -9.440 -7.991 13.984 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -11.040 -9.606 14.284 1.00 0.00 N ATOM 0 H ARG A 86 -8.056 -5.881 7.172 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.255 -5.974 9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.818 -8.189 9.014 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.005 -7.471 10.391 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.358 -7.165 11.415 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.928 -8.233 10.148 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.291 -9.969 10.893 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.756 -8.902 12.176 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.183 -10.514 12.134 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.682 -7.589 13.433 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.726 -7.549 14.858 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.516 -10.450 13.965 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.322 -9.160 15.157 1.00 0.00 H new ATOM 1403 N ASN A 87 -7.417 -3.846 9.773 1.00 0.00 N ATOM 1404 CA ASN A 87 -7.004 -2.745 10.635 1.00 0.00 C ATOM 1405 C ASN A 87 -5.741 -3.108 11.411 1.00 0.00 C ATOM 1406 O ASN A 87 -5.590 -2.741 12.577 1.00 0.00 O ATOM 1407 CB ASN A 87 -8.126 -2.377 11.607 1.00 0.00 C ATOM 1408 CG ASN A 87 -8.172 -0.891 11.902 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -7.700 -0.074 11.110 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -8.740 -0.533 13.047 1.00 0.00 N ATOM 0 H ASN A 87 -7.398 -3.631 8.776 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.787 -1.884 10.002 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.082 -2.691 11.189 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.990 -2.925 12.539 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.799 0.453 13.301 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.118 -1.244 13.673 1.00 0.00 H new ATOM 1417 N LYS A 88 -4.837 -3.831 10.757 1.00 0.00 N ATOM 1418 CA LYS A 88 -3.588 -4.243 11.385 1.00 0.00 C ATOM 1419 C LYS A 88 -2.437 -4.203 10.386 1.00 0.00 C ATOM 1420 O LYS A 88 -2.641 -4.358 9.182 1.00 0.00 O ATOM 1421 CB LYS A 88 -3.726 -5.652 11.965 1.00 0.00 C ATOM 1422 CG LYS A 88 -2.912 -5.871 13.230 1.00 0.00 C ATOM 1423 CD LYS A 88 -3.574 -6.884 14.150 1.00 0.00 C ATOM 1424 CE LYS A 88 -3.388 -6.512 15.613 1.00 0.00 C ATOM 1425 NZ LYS A 88 -1.950 -6.458 15.994 1.00 0.00 N ATOM 0 H LYS A 88 -4.947 -4.143 9.792 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.369 -3.544 12.192 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.777 -5.846 12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.416 -6.378 11.213 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.913 -6.217 12.966 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.793 -4.924 13.756 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.638 -6.944 13.921 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.152 -7.873 13.968 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.850 -5.543 15.803 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.903 -7.239 16.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.868 -6.336 17.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.483 -7.343 15.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.493 -5.657 15.513 1.00 0.00 H new ATOM 1439 N HIS A 89 -1.226 -3.994 10.893 1.00 0.00 N ATOM 1440 CA HIS A 89 -0.041 -3.933 10.045 1.00 0.00 C ATOM 1441 C HIS A 89 0.153 -5.242 9.285 1.00 0.00 C ATOM 1442 O HIS A 89 -0.144 -6.320 9.801 1.00 0.00 O ATOM 1443 CB HIS A 89 1.200 -3.630 10.887 1.00 0.00 C ATOM 1444 CG HIS A 89 1.514 -2.170 10.988 1.00 0.00 C ATOM 1445 ND1 HIS A 89 1.403 -1.455 12.162 1.00 0.00 N ATOM 1446 CD2 HIS A 89 1.938 -1.289 10.052 1.00 0.00 C ATOM 1447 CE1 HIS A 89 1.746 -0.198 11.943 1.00 0.00 C ATOM 1448 NE2 HIS A 89 2.075 -0.071 10.672 1.00 0.00 N ATOM 0 H HIS A 89 -1.040 -3.864 11.887 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.185 -3.131 9.321 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.055 -4.032 11.890 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.057 -4.148 10.456 1.00 0.00 H new ATOM 0 HD2 HIS A 89 2.132 -1.504 9.012 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.755 0.592 12.680 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.381 0.792 10.222 1.00 0.00 H new ATOM 1457 N ILE A 90 0.653 -5.140 8.059 1.00 0.00 N ATOM 1458 CA ILE A 90 0.889 -6.315 7.228 1.00 0.00 C ATOM 1459 C ILE A 90 2.189 -6.181 6.443 1.00 0.00 C ATOM 1460 O ILE A 90 2.359 -5.248 5.659 1.00 0.00 O ATOM 1461 CB ILE A 90 -0.272 -6.549 6.242 1.00 0.00 C ATOM 1462 CG1 ILE A 90 -1.614 -6.470 6.971 1.00 0.00 C ATOM 1463 CG2 ILE A 90 -0.116 -7.895 5.551 1.00 0.00 C ATOM 1464 CD1 ILE A 90 -1.808 -7.559 8.003 1.00 0.00 C ATOM 0 H ILE A 90 0.903 -4.255 7.618 1.00 0.00 H new ATOM 0 HA ILE A 90 0.961 -7.169 7.901 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.247 -5.768 5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.696 -5.499 7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.420 -6.527 6.239 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.943 -8.046 4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.826 -7.915 5.002 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.118 -8.690 6.297 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.781 -7.440 8.479 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.759 -8.534 7.517 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.024 -7.490 8.757 1.00 0.00 H new ATOM 1476 N MET A 91 3.103 -7.122 6.658 1.00 0.00 N ATOM 1477 CA MET A 91 4.388 -7.111 5.971 1.00 0.00 C ATOM 1478 C MET A 91 4.199 -7.163 4.457 1.00 0.00 C ATOM 1479 O MET A 91 3.095 -6.954 3.953 1.00 0.00 O ATOM 1480 CB MET A 91 5.247 -8.292 6.434 1.00 0.00 C ATOM 1481 CG MET A 91 6.631 -7.886 6.912 1.00 0.00 C ATOM 1482 SD MET A 91 7.863 -9.175 6.644 1.00 0.00 S ATOM 1483 CE MET A 91 9.151 -8.653 7.773 1.00 0.00 C ATOM 0 H MET A 91 2.977 -7.902 7.303 1.00 0.00 H new ATOM 0 HA MET A 91 4.898 -6.180 6.221 1.00 0.00 H new ATOM 0 HB2 MET A 91 4.731 -8.812 7.241 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.349 -9.001 5.612 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.940 -6.980 6.391 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.588 -7.645 7.974 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.985 -9.353 7.722 1.00 0.00 H new ATOM 0 HE2 MET A 91 9.496 -7.657 7.496 1.00 0.00 H new ATOM 0 HE3 MET A 91 8.757 -8.631 8.789 1.00 0.00 H new ATOM 1493 N ILE A 92 5.281 -7.442 3.737 1.00 0.00 N ATOM 1494 CA ILE A 92 5.234 -7.520 2.282 1.00 0.00 C ATOM 1495 C ILE A 92 4.937 -6.158 1.667 1.00 0.00 C ATOM 1496 O ILE A 92 4.246 -5.333 2.266 1.00 0.00 O ATOM 1497 CB ILE A 92 4.171 -8.529 1.805 1.00 0.00 C ATOM 1498 CG1 ILE A 92 4.313 -9.850 2.563 1.00 0.00 C ATOM 1499 CG2 ILE A 92 4.290 -8.757 0.305 1.00 0.00 C ATOM 1500 CD1 ILE A 92 3.199 -10.833 2.278 1.00 0.00 C ATOM 0 H ILE A 92 6.202 -7.618 4.139 1.00 0.00 H new ATOM 0 HA ILE A 92 6.217 -7.858 1.953 1.00 0.00 H new ATOM 0 HB ILE A 92 3.183 -8.117 2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 92 5.267 -10.309 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.340 -9.644 3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.532 -9.472 -0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.143 -7.813 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.280 -9.150 0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.365 -11.746 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.244 -10.394 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.185 -11.068 1.214 1.00 0.00 H new ATOM 1512 N ASP A 93 5.462 -5.927 0.468 1.00 0.00 N ATOM 1513 CA ASP A 93 5.252 -4.663 -0.229 1.00 0.00 C ATOM 1514 C ASP A 93 5.011 -4.897 -1.717 1.00 0.00 C ATOM 1515 O ASP A 93 4.974 -6.037 -2.178 1.00 0.00 O ATOM 1516 CB ASP A 93 6.459 -3.744 -0.034 1.00 0.00 C ATOM 1517 CG ASP A 93 6.417 -3.008 1.290 1.00 0.00 C ATOM 1518 OD1 ASP A 93 5.314 -2.876 1.862 1.00 0.00 O ATOM 1519 OD2 ASP A 93 7.487 -2.562 1.756 1.00 0.00 O ATOM 0 H ASP A 93 6.036 -6.599 -0.041 1.00 0.00 H new ATOM 0 HA ASP A 93 4.368 -4.185 0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.374 -4.334 -0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.496 -3.020 -0.848 1.00 0.00 H new ATOM 1524 N LEU A 94 4.847 -3.808 -2.463 1.00 0.00 N ATOM 1525 CA LEU A 94 4.608 -3.895 -3.898 1.00 0.00 C ATOM 1526 C LEU A 94 5.925 -3.931 -4.667 1.00 0.00 C ATOM 1527 O LEU A 94 6.038 -4.602 -5.694 1.00 0.00 O ATOM 1528 CB LEU A 94 3.761 -2.713 -4.370 1.00 0.00 C ATOM 1529 CG LEU A 94 4.375 -1.333 -4.118 1.00 0.00 C ATOM 1530 CD1 LEU A 94 4.894 -0.733 -5.417 1.00 0.00 C ATOM 1531 CD2 LEU A 94 3.358 -0.405 -3.471 1.00 0.00 C ATOM 0 H LEU A 94 4.875 -2.856 -2.097 1.00 0.00 H new ATOM 0 HA LEU A 94 4.067 -4.820 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.577 -2.822 -5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.792 -2.759 -3.873 1.00 0.00 H new ATOM 0 HG LEU A 94 5.215 -1.452 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.327 0.247 -5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.656 -1.387 -5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.071 -0.629 -6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.813 0.571 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.497 -0.293 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.035 -0.827 -2.519 1.00 0.00 H new ATOM 1543 N GLY A 95 6.918 -3.205 -4.165 1.00 0.00 N ATOM 1544 CA GLY A 95 8.213 -3.167 -4.818 1.00 0.00 C ATOM 1545 C GLY A 95 9.155 -4.236 -4.299 1.00 0.00 C ATOM 1546 O GLY A 95 8.864 -4.901 -3.305 1.00 0.00 O ATOM 0 H GLY A 95 6.849 -2.642 -3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.079 -3.295 -5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.664 -2.186 -4.668 1.00 0.00 H new ATOM 1613 N LYS A 101 12.940 -3.061 3.178 1.00 0.00 N ATOM 1614 CA LYS A 101 12.472 -1.689 3.041 1.00 0.00 C ATOM 1615 C LYS A 101 12.409 -1.270 1.575 1.00 0.00 C ATOM 1616 O LYS A 101 13.410 -0.845 0.996 1.00 0.00 O ATOM 1617 CB LYS A 101 13.387 -0.738 3.815 1.00 0.00 C ATOM 1618 CG LYS A 101 13.069 -0.663 5.300 1.00 0.00 C ATOM 1619 CD LYS A 101 13.918 0.387 5.998 1.00 0.00 C ATOM 1620 CE LYS A 101 13.179 1.710 6.121 1.00 0.00 C ATOM 1621 NZ LYS A 101 12.548 1.872 7.459 1.00 0.00 N ATOM 0 HA LYS A 101 11.465 -1.636 3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.421 -1.059 3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.308 0.260 3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.013 -0.428 5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.241 -1.636 5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.196 0.031 6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.844 0.536 5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.874 2.531 5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.412 1.771 5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.055 2.786 7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.866 1.103 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.282 1.840 8.195 1.00 0.00 H new ATOM 1635 N ILE A 102 11.227 -1.391 0.980 1.00 0.00 N ATOM 1636 CA ILE A 102 11.033 -1.025 -0.418 1.00 0.00 C ATOM 1637 C ILE A 102 10.928 0.488 -0.580 1.00 0.00 C ATOM 1638 O ILE A 102 9.837 1.029 -0.761 1.00 0.00 O ATOM 1639 CB ILE A 102 9.768 -1.684 -1.002 1.00 0.00 C ATOM 1640 CG1 ILE A 102 9.758 -3.182 -0.692 1.00 0.00 C ATOM 1641 CG2 ILE A 102 9.692 -1.447 -2.503 1.00 0.00 C ATOM 1642 CD1 ILE A 102 10.977 -3.914 -1.206 1.00 0.00 C ATOM 0 H ILE A 102 10.389 -1.740 1.445 1.00 0.00 H new ATOM 0 HA ILE A 102 11.905 -1.386 -0.964 1.00 0.00 H new ATOM 0 HB ILE A 102 8.892 -1.230 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.689 -3.321 0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.865 -3.629 -1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.793 -1.918 -2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.658 -0.376 -2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.570 -1.877 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.902 -4.971 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.036 -3.806 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.873 -3.493 -0.750 1.00 0.00 H new ATOM 1654 N ASN A 103 12.068 1.165 -0.515 1.00 0.00 N ATOM 1655 CA ASN A 103 12.104 2.616 -0.658 1.00 0.00 C ATOM 1656 C ASN A 103 12.314 3.011 -2.115 1.00 0.00 C ATOM 1657 O ASN A 103 11.771 4.011 -2.585 1.00 0.00 O ATOM 1658 CB ASN A 103 13.215 3.209 0.210 1.00 0.00 C ATOM 1659 CG ASN A 103 13.122 2.761 1.656 1.00 0.00 C ATOM 1660 OD1 ASN A 103 12.034 2.492 2.165 1.00 0.00 O ATOM 1661 ND2 ASN A 103 14.266 2.680 2.325 1.00 0.00 N ATOM 0 H ASN A 103 12.980 0.733 -0.364 1.00 0.00 H new ATOM 0 HA ASN A 103 11.145 3.014 -0.326 1.00 0.00 H new ATOM 0 HB2 ASN A 103 14.184 2.918 -0.196 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.165 4.297 0.166 1.00 0.00 H new ATOM 0 HD21 ASN A 103 14.266 2.385 3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.145 2.913 1.863 1.00 0.00 H new ATOM 1668 N TRP A 104 13.103 2.213 -2.827 1.00 0.00 N ATOM 1669 CA TRP A 104 13.384 2.471 -4.234 1.00 0.00 C ATOM 1670 C TRP A 104 12.694 1.436 -5.117 1.00 0.00 C ATOM 1671 O TRP A 104 12.971 0.241 -5.021 1.00 0.00 O ATOM 1672 CB TRP A 104 14.893 2.451 -4.487 1.00 0.00 C ATOM 1673 CG TRP A 104 15.539 3.794 -4.333 1.00 0.00 C ATOM 1674 CD1 TRP A 104 15.757 4.469 -3.166 1.00 0.00 C ATOM 1675 CD2 TRP A 104 16.050 4.626 -5.381 1.00 0.00 C ATOM 1676 NE1 TRP A 104 16.373 5.670 -3.425 1.00 0.00 N ATOM 1677 CE2 TRP A 104 16.564 5.789 -4.777 1.00 0.00 C ATOM 1678 CE3 TRP A 104 16.123 4.500 -6.770 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 17.142 6.819 -5.515 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 16.698 5.522 -7.502 1.00 0.00 C ATOM 1681 CH2 TRP A 104 17.202 6.668 -6.873 1.00 0.00 C ATOM 0 H TRP A 104 13.559 1.381 -2.452 1.00 0.00 H new ATOM 0 HA TRP A 104 12.996 3.458 -4.485 1.00 0.00 H new ATOM 0 HB2 TRP A 104 15.361 1.750 -3.796 1.00 0.00 H new ATOM 0 HB3 TRP A 104 15.080 2.079 -5.494 1.00 0.00 H new ATOM 0 HD1 TRP A 104 15.485 4.112 -2.184 1.00 0.00 H new ATOM 0 HE1 TRP A 104 16.644 6.361 -2.725 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.737 3.620 -7.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 17.529 7.705 -5.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.760 5.436 -8.577 1.00 0.00 H new ATOM 0 HH2 TRP A 104 17.647 7.448 -7.473 1.00 0.00 H new ATOM 1692 N ALA A 105 11.790 1.902 -5.973 1.00 0.00 N ATOM 1693 CA ALA A 105 11.058 1.014 -6.865 1.00 0.00 C ATOM 1694 C ALA A 105 11.340 1.338 -8.328 1.00 0.00 C ATOM 1695 O ALA A 105 11.307 2.499 -8.736 1.00 0.00 O ATOM 1696 CB ALA A 105 9.565 1.099 -6.582 1.00 0.00 C ATOM 0 H ALA A 105 11.548 2.888 -6.067 1.00 0.00 H new ATOM 0 HA ALA A 105 11.398 -0.005 -6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.028 0.431 -7.255 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.373 0.805 -5.550 1.00 0.00 H new ATOM 0 HB3 ALA A 105 9.223 2.122 -6.738 1.00 0.00 H new ATOM 1702 N MET A 106 11.613 0.301 -9.114 1.00 0.00 N ATOM 1703 CA MET A 106 11.896 0.467 -10.535 1.00 0.00 C ATOM 1704 C MET A 106 11.729 -0.853 -11.275 1.00 0.00 C ATOM 1705 O MET A 106 12.547 -1.219 -12.120 1.00 0.00 O ATOM 1706 CB MET A 106 13.312 1.011 -10.739 1.00 0.00 C ATOM 1707 CG MET A 106 13.620 1.377 -12.181 1.00 0.00 C ATOM 1708 SD MET A 106 14.890 2.650 -12.317 1.00 0.00 S ATOM 1709 CE MET A 106 14.046 4.049 -11.585 1.00 0.00 C ATOM 0 H MET A 106 11.644 -0.665 -8.789 1.00 0.00 H new ATOM 0 HA MET A 106 11.183 1.184 -10.942 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.448 1.892 -10.112 1.00 0.00 H new ATOM 0 HB3 MET A 106 14.031 0.265 -10.400 1.00 0.00 H new ATOM 0 HG2 MET A 106 13.946 0.485 -12.717 1.00 0.00 H new ATOM 0 HG3 MET A 106 12.708 1.725 -12.666 1.00 0.00 H new ATOM 0 HE1 MET A 106 14.424 4.972 -12.024 1.00 0.00 H new ATOM 0 HE2 MET A 106 12.976 3.968 -11.775 1.00 0.00 H new ATOM 0 HE3 MET A 106 14.224 4.059 -10.510 1.00 0.00 H new ATOM 1719 N GLU A 107 10.658 -1.563 -10.946 1.00 0.00 N ATOM 1720 CA GLU A 107 10.363 -2.852 -11.566 1.00 0.00 C ATOM 1721 C GLU A 107 8.858 -3.103 -11.641 1.00 0.00 C ATOM 1722 O GLU A 107 8.419 -4.216 -11.932 1.00 0.00 O ATOM 1723 CB GLU A 107 11.026 -3.973 -10.773 1.00 0.00 C ATOM 1724 CG GLU A 107 12.521 -4.095 -11.019 1.00 0.00 C ATOM 1725 CD GLU A 107 13.029 -5.512 -10.832 1.00 0.00 C ATOM 1726 OE1 GLU A 107 12.434 -6.437 -11.424 1.00 0.00 O ATOM 1727 OE2 GLU A 107 14.020 -5.695 -10.096 1.00 0.00 O ATOM 0 H GLU A 107 9.974 -1.267 -10.249 1.00 0.00 H new ATOM 0 HA GLU A 107 10.758 -2.833 -12.582 1.00 0.00 H new ATOM 0 HB2 GLU A 107 10.854 -3.804 -9.710 1.00 0.00 H new ATOM 0 HB3 GLU A 107 10.547 -4.918 -11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.747 -3.763 -12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.053 -3.430 -10.339 1.00 0.00 H new ATOM 1734 N ASP A 108 8.072 -2.066 -11.369 1.00 0.00 N ATOM 1735 CA ASP A 108 6.617 -2.170 -11.396 1.00 0.00 C ATOM 1736 C ASP A 108 6.124 -2.847 -12.673 1.00 0.00 C ATOM 1737 O ASP A 108 6.814 -2.849 -13.692 1.00 0.00 O ATOM 1738 CB ASP A 108 5.987 -0.783 -11.270 1.00 0.00 C ATOM 1739 CG ASP A 108 6.510 0.189 -12.311 1.00 0.00 C ATOM 1740 OD1 ASP A 108 7.481 -0.159 -13.016 1.00 0.00 O ATOM 1741 OD2 ASP A 108 5.948 1.299 -12.422 1.00 0.00 O ATOM 0 H ASP A 108 8.421 -1.139 -11.126 1.00 0.00 H new ATOM 0 HA ASP A 108 6.315 -2.786 -10.549 1.00 0.00 H new ATOM 0 HB2 ASP A 108 4.905 -0.869 -11.369 1.00 0.00 H new ATOM 0 HB3 ASP A 108 6.186 -0.386 -10.275 1.00 0.00 H new ATOM 1746 N LYS A 109 4.924 -3.428 -12.594 1.00 0.00 N ATOM 1747 CA LYS A 109 4.304 -4.128 -13.722 1.00 0.00 C ATOM 1748 C LYS A 109 4.732 -5.589 -13.745 1.00 0.00 C ATOM 1749 O LYS A 109 3.913 -6.486 -13.939 1.00 0.00 O ATOM 1750 CB LYS A 109 4.651 -3.455 -15.055 1.00 0.00 C ATOM 1751 CG LYS A 109 3.509 -3.467 -16.058 1.00 0.00 C ATOM 1752 CD LYS A 109 3.959 -2.962 -17.419 1.00 0.00 C ATOM 1753 CE LYS A 109 4.484 -4.094 -18.287 1.00 0.00 C ATOM 1754 NZ LYS A 109 3.381 -4.863 -18.926 1.00 0.00 N ATOM 0 H LYS A 109 4.355 -3.426 -11.747 1.00 0.00 H new ATOM 0 HA LYS A 109 3.223 -4.078 -13.589 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.946 -2.423 -14.865 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.513 -3.958 -15.493 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.119 -4.480 -16.155 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.693 -2.845 -15.690 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.124 -2.474 -17.922 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.737 -2.210 -17.290 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.137 -3.686 -19.059 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.090 -4.766 -17.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.782 -5.625 -19.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.772 -5.274 -18.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.817 -4.228 -19.526 1.00 0.00 H new ATOM 1768 N GLN A 110 6.021 -5.818 -13.545 1.00 0.00 N ATOM 1769 CA GLN A 110 6.567 -7.166 -13.535 1.00 0.00 C ATOM 1770 C GLN A 110 6.551 -7.748 -12.124 1.00 0.00 C ATOM 1771 O GLN A 110 5.686 -8.555 -11.784 1.00 0.00 O ATOM 1772 CB GLN A 110 7.993 -7.149 -14.084 1.00 0.00 C ATOM 1773 CG GLN A 110 8.138 -7.845 -15.426 1.00 0.00 C ATOM 1774 CD GLN A 110 7.999 -9.351 -15.320 1.00 0.00 C ATOM 1775 OE1 GLN A 110 7.891 -9.900 -14.223 1.00 0.00 O ATOM 1776 NE2 GLN A 110 7.999 -10.028 -16.463 1.00 0.00 N ATOM 0 H GLN A 110 6.711 -5.084 -13.387 1.00 0.00 H new ATOM 0 HA GLN A 110 5.945 -7.798 -14.169 1.00 0.00 H new ATOM 0 HB2 GLN A 110 8.322 -6.115 -14.183 1.00 0.00 H new ATOM 0 HB3 GLN A 110 8.656 -7.627 -13.363 1.00 0.00 H new ATOM 0 HG2 GLN A 110 7.384 -7.462 -16.113 1.00 0.00 H new ATOM 0 HG3 GLN A 110 9.111 -7.603 -15.853 1.00 0.00 H new ATOM 0 HE21 GLN A 110 8.091 -9.532 -17.350 1.00 0.00 H new ATOM 0 HE22 GLN A 110 7.907 -11.044 -16.454 1.00 0.00 H new ATOM 1785 N GLU A 111 7.515 -7.332 -11.308 1.00 0.00 N ATOM 1786 CA GLU A 111 7.615 -7.809 -9.934 1.00 0.00 C ATOM 1787 C GLU A 111 6.358 -7.460 -9.147 1.00 0.00 C ATOM 1788 O GLU A 111 5.895 -8.245 -8.319 1.00 0.00 O ATOM 1789 CB GLU A 111 8.843 -7.206 -9.251 1.00 0.00 C ATOM 1790 CG GLU A 111 9.282 -7.965 -8.009 1.00 0.00 C ATOM 1791 CD GLU A 111 10.490 -8.848 -8.261 1.00 0.00 C ATOM 1792 OE1 GLU A 111 10.309 -9.963 -8.793 1.00 0.00 O ATOM 1793 OE2 GLU A 111 11.616 -8.423 -7.928 1.00 0.00 O ATOM 0 H GLU A 111 8.239 -6.665 -11.576 1.00 0.00 H new ATOM 0 HA GLU A 111 7.718 -8.894 -9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 111 9.669 -7.181 -9.962 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.626 -6.173 -8.978 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.515 -7.254 -7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 111 8.455 -8.580 -7.652 1.00 0.00 H new ATOM 1800 N MET A 112 5.808 -6.280 -9.412 1.00 0.00 N ATOM 1801 CA MET A 112 4.602 -5.830 -8.729 1.00 0.00 C ATOM 1802 C MET A 112 3.451 -6.799 -8.973 1.00 0.00 C ATOM 1803 O MET A 112 2.932 -7.408 -8.040 1.00 0.00 O ATOM 1804 CB MET A 112 4.217 -4.425 -9.200 1.00 0.00 C ATOM 1805 CG MET A 112 4.188 -3.396 -8.080 1.00 0.00 C ATOM 1806 SD MET A 112 3.130 -1.987 -8.459 1.00 0.00 S ATOM 1807 CE MET A 112 1.928 -2.098 -7.136 1.00 0.00 C ATOM 0 H MET A 112 6.178 -5.619 -10.095 1.00 0.00 H new ATOM 0 HA MET A 112 4.807 -5.799 -7.659 1.00 0.00 H new ATOM 0 HB2 MET A 112 4.924 -4.100 -9.963 1.00 0.00 H new ATOM 0 HB3 MET A 112 3.235 -4.465 -9.672 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.838 -3.872 -7.164 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.202 -3.043 -7.889 1.00 0.00 H new ATOM 0 HE1 MET A 112 0.924 -2.137 -7.559 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.111 -3.000 -6.553 1.00 0.00 H new ATOM 0 HE3 MET A 112 2.016 -1.224 -6.490 1.00 0.00 H new ATOM 1817 N VAL A 113 3.059 -6.943 -10.235 1.00 0.00 N ATOM 1818 CA VAL A 113 1.972 -7.845 -10.604 1.00 0.00 C ATOM 1819 C VAL A 113 2.126 -9.203 -9.919 1.00 0.00 C ATOM 1820 O VAL A 113 1.144 -9.817 -9.502 1.00 0.00 O ATOM 1821 CB VAL A 113 1.918 -8.046 -12.133 1.00 0.00 C ATOM 1822 CG1 VAL A 113 0.976 -9.184 -12.506 1.00 0.00 C ATOM 1823 CG2 VAL A 113 1.498 -6.757 -12.821 1.00 0.00 C ATOM 0 H VAL A 113 3.478 -6.446 -11.021 1.00 0.00 H new ATOM 0 HA VAL A 113 1.042 -7.385 -10.271 1.00 0.00 H new ATOM 0 HB VAL A 113 2.918 -8.315 -12.474 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.959 -9.302 -13.589 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.323 -10.109 -12.046 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.029 -8.956 -12.150 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.464 -6.914 -13.899 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.511 -6.460 -12.467 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.217 -5.971 -12.591 1.00 0.00 H new ATOM 1833 N ASP A 114 3.367 -9.663 -9.816 1.00 0.00 N ATOM 1834 CA ASP A 114 3.659 -10.949 -9.192 1.00 0.00 C ATOM 1835 C ASP A 114 3.531 -10.877 -7.670 1.00 0.00 C ATOM 1836 O ASP A 114 2.921 -11.751 -7.051 1.00 0.00 O ATOM 1837 CB ASP A 114 5.066 -11.412 -9.573 1.00 0.00 C ATOM 1838 CG ASP A 114 5.274 -12.894 -9.326 1.00 0.00 C ATOM 1839 OD1 ASP A 114 4.596 -13.447 -8.434 1.00 0.00 O ATOM 1840 OD2 ASP A 114 6.112 -13.500 -10.025 1.00 0.00 O ATOM 0 H ASP A 114 4.189 -9.164 -10.157 1.00 0.00 H new ATOM 0 HA ASP A 114 2.927 -11.669 -9.558 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.245 -11.193 -10.626 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.800 -10.845 -9.000 1.00 0.00 H new ATOM 1845 N ILE A 115 4.115 -9.844 -7.068 1.00 0.00 N ATOM 1846 CA ILE A 115 4.065 -9.686 -5.619 1.00 0.00 C ATOM 1847 C ILE A 115 2.640 -9.444 -5.137 1.00 0.00 C ATOM 1848 O ILE A 115 2.190 -10.058 -4.170 1.00 0.00 O ATOM 1849 CB ILE A 115 4.982 -8.536 -5.131 1.00 0.00 C ATOM 1850 CG1 ILE A 115 5.440 -8.800 -3.696 1.00 0.00 C ATOM 1851 CG2 ILE A 115 4.283 -7.182 -5.224 1.00 0.00 C ATOM 1852 CD1 ILE A 115 6.237 -10.078 -3.542 1.00 0.00 C ATOM 0 H ILE A 115 4.625 -9.109 -7.558 1.00 0.00 H new ATOM 0 HA ILE A 115 4.430 -10.620 -5.192 1.00 0.00 H new ATOM 0 HB ILE A 115 5.854 -8.504 -5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 115 6.046 -7.960 -3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 115 4.566 -8.846 -3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.957 -6.400 -4.873 1.00 0.00 H new ATOM 0 HG22 ILE A 115 4.007 -6.985 -6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.386 -7.192 -4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 115 6.529 -10.201 -2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.627 -10.927 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 115 7.130 -10.027 -4.165 1.00 0.00 H new ATOM 1864 N ILE A 116 1.937 -8.540 -5.810 1.00 0.00 N ATOM 1865 CA ILE A 116 0.571 -8.219 -5.437 1.00 0.00 C ATOM 1866 C ILE A 116 -0.313 -9.460 -5.510 1.00 0.00 C ATOM 1867 O ILE A 116 -1.238 -9.625 -4.716 1.00 0.00 O ATOM 1868 CB ILE A 116 -0.021 -7.116 -6.336 1.00 0.00 C ATOM 1869 CG1 ILE A 116 0.865 -5.869 -6.302 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -1.440 -6.774 -5.901 1.00 0.00 C ATOM 1871 CD1 ILE A 116 1.204 -5.336 -7.675 1.00 0.00 C ATOM 0 H ILE A 116 2.292 -8.020 -6.613 1.00 0.00 H new ATOM 0 HA ILE A 116 0.597 -7.851 -4.411 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.057 -7.488 -7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.360 -5.089 -5.732 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.789 -6.103 -5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -1.841 -5.993 -6.548 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.067 -7.663 -5.974 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.429 -6.421 -4.870 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.834 -4.452 -7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 116 1.737 -6.100 -8.241 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.286 -5.071 -8.199 1.00 0.00 H new ATOM 1883 N GLU A 117 -0.014 -10.331 -6.469 1.00 0.00 N ATOM 1884 CA GLU A 117 -0.774 -11.561 -6.649 1.00 0.00 C ATOM 1885 C GLU A 117 -0.672 -12.442 -5.409 1.00 0.00 C ATOM 1886 O GLU A 117 -1.677 -12.949 -4.911 1.00 0.00 O ATOM 1887 CB GLU A 117 -0.269 -12.324 -7.875 1.00 0.00 C ATOM 1888 CG GLU A 117 -1.309 -13.249 -8.486 1.00 0.00 C ATOM 1889 CD GLU A 117 -0.704 -14.250 -9.451 1.00 0.00 C ATOM 1890 OE1 GLU A 117 0.515 -14.504 -9.355 1.00 0.00 O ATOM 1891 OE2 GLU A 117 -1.449 -14.777 -10.304 1.00 0.00 O ATOM 0 H GLU A 117 0.750 -10.207 -7.133 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.820 -11.296 -6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 117 0.057 -11.608 -8.630 1.00 0.00 H new ATOM 0 HB3 GLU A 117 0.606 -12.910 -7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.826 -13.784 -7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.058 -12.653 -9.008 1.00 0.00 H new ATOM 1898 N THR A 118 0.548 -12.615 -4.910 1.00 0.00 N ATOM 1899 CA THR A 118 0.778 -13.431 -3.723 1.00 0.00 C ATOM 1900 C THR A 118 0.014 -12.867 -2.530 1.00 0.00 C ATOM 1901 O THR A 118 -0.773 -13.568 -1.895 1.00 0.00 O ATOM 1902 CB THR A 118 2.271 -13.500 -3.403 1.00 0.00 C ATOM 1903 OG1 THR A 118 3.045 -13.277 -4.570 1.00 0.00 O ATOM 1904 CG2 THR A 118 2.698 -14.827 -2.816 1.00 0.00 C ATOM 0 H THR A 118 1.391 -12.202 -5.308 1.00 0.00 H new ATOM 0 HA THR A 118 0.415 -14.439 -3.926 1.00 0.00 H new ATOM 0 HB THR A 118 2.442 -12.721 -2.660 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.998 -13.323 -4.345 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.769 -14.807 -2.613 1.00 0.00 H new ATOM 0 HG22 THR A 118 2.156 -15.006 -1.888 1.00 0.00 H new ATOM 0 HG23 THR A 118 2.478 -15.626 -3.524 1.00 0.00 H new ATOM 1912 N VAL A 119 0.245 -11.590 -2.236 1.00 0.00 N ATOM 1913 CA VAL A 119 -0.427 -10.929 -1.126 1.00 0.00 C ATOM 1914 C VAL A 119 -1.938 -10.934 -1.333 1.00 0.00 C ATOM 1915 O VAL A 119 -2.708 -10.999 -0.376 1.00 0.00 O ATOM 1916 CB VAL A 119 0.057 -9.473 -0.961 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -0.680 -8.785 0.178 1.00 0.00 C ATOM 1918 CG2 VAL A 119 1.560 -9.435 -0.734 1.00 0.00 C ATOM 0 H VAL A 119 0.893 -10.994 -2.752 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.180 -11.485 -0.222 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.164 -8.931 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.323 -7.760 0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.749 -8.778 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.497 -9.324 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 119 1.885 -8.401 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.806 -9.994 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.068 -9.883 -1.588 1.00 0.00 H new ATOM 1928 N TYR A 120 -2.352 -10.866 -2.593 1.00 0.00 N ATOM 1929 CA TYR A 120 -3.769 -10.863 -2.935 1.00 0.00 C ATOM 1930 C TYR A 120 -4.450 -12.121 -2.412 1.00 0.00 C ATOM 1931 O TYR A 120 -5.328 -12.058 -1.552 1.00 0.00 O ATOM 1932 CB TYR A 120 -3.944 -10.765 -4.453 1.00 0.00 C ATOM 1933 CG TYR A 120 -5.386 -10.701 -4.907 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -6.230 -11.799 -4.776 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -5.904 -9.542 -5.472 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -7.546 -11.741 -5.193 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -7.219 -9.476 -5.891 1.00 0.00 C ATOM 1938 CZ TYR A 120 -8.036 -10.579 -5.749 1.00 0.00 C ATOM 1939 OH TYR A 120 -9.346 -10.518 -6.166 1.00 0.00 O ATOM 0 H TYR A 120 -1.725 -10.812 -3.396 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.235 -9.996 -2.466 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -3.422 -9.878 -4.811 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -3.466 -11.626 -4.919 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -5.850 -12.712 -4.341 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -5.267 -8.677 -5.586 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -8.188 -12.603 -5.084 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -7.605 -8.567 -6.327 1.00 0.00 H new ATOM 0 HH TYR A 120 -9.758 -9.694 -5.832 1.00 0.00 H new ATOM 1949 N ARG A 121 -4.036 -13.259 -2.946 1.00 0.00 N ATOM 1950 CA ARG A 121 -4.594 -14.545 -2.548 1.00 0.00 C ATOM 1951 C ARG A 121 -4.298 -14.839 -1.082 1.00 0.00 C ATOM 1952 O ARG A 121 -5.133 -15.393 -0.368 1.00 0.00 O ATOM 1953 CB ARG A 121 -4.030 -15.662 -3.429 1.00 0.00 C ATOM 1954 CG ARG A 121 -4.725 -15.783 -4.775 1.00 0.00 C ATOM 1955 CD ARG A 121 -4.195 -16.964 -5.575 1.00 0.00 C ATOM 1956 NE ARG A 121 -4.089 -18.175 -4.764 1.00 0.00 N ATOM 1957 CZ ARG A 121 -3.013 -18.503 -4.050 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -1.947 -17.711 -4.035 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -3.004 -19.627 -3.346 1.00 0.00 N ATOM 0 H ARG A 121 -3.311 -13.320 -3.661 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.675 -14.499 -2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.967 -15.483 -3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.116 -16.610 -2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.798 -15.899 -4.622 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.581 -14.864 -5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.854 -17.152 -6.422 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.215 -16.715 -5.983 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.888 -18.808 -4.743 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.948 -16.844 -4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.127 -17.969 -3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.820 -20.239 -3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.181 -19.880 -2.799 1.00 0.00 H new ATOM 1973 N GLY A 122 -3.104 -14.464 -0.644 1.00 0.00 N ATOM 1974 CA GLY A 122 -2.714 -14.693 0.735 1.00 0.00 C ATOM 1975 C GLY A 122 -3.521 -13.860 1.710 1.00 0.00 C ATOM 1976 O GLY A 122 -3.927 -14.346 2.766 1.00 0.00 O ATOM 0 H GLY A 122 -2.397 -14.005 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.838 -15.749 0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.655 -14.462 0.853 1.00 0.00 H new ATOM 1980 N ALA A 123 -3.756 -12.602 1.355 1.00 0.00 N ATOM 1981 CA ALA A 123 -4.521 -11.696 2.202 1.00 0.00 C ATOM 1982 C ALA A 123 -6.010 -11.757 1.874 1.00 0.00 C ATOM 1983 O ALA A 123 -6.664 -10.726 1.712 1.00 0.00 O ATOM 1984 CB ALA A 123 -4.002 -10.273 2.052 1.00 0.00 C ATOM 0 H ALA A 123 -3.427 -12.186 0.484 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.394 -12.012 3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.581 -9.605 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -2.953 -10.235 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -4.099 -9.958 1.013 1.00 0.00 H new ATOM 1990 N ARG A 124 -6.542 -12.972 1.774 1.00 0.00 N ATOM 1991 CA ARG A 124 -7.953 -13.165 1.463 1.00 0.00 C ATOM 1992 C ARG A 124 -8.762 -13.415 2.732 1.00 0.00 C ATOM 1993 O ARG A 124 -9.823 -12.824 2.930 1.00 0.00 O ATOM 1994 CB ARG A 124 -8.125 -14.336 0.494 1.00 0.00 C ATOM 1995 CG ARG A 124 -7.741 -15.682 1.088 1.00 0.00 C ATOM 1996 CD ARG A 124 -7.745 -16.778 0.034 1.00 0.00 C ATOM 1997 NE ARG A 124 -9.033 -17.463 -0.037 1.00 0.00 N ATOM 1998 CZ ARG A 124 -9.241 -18.578 -0.733 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -8.250 -19.137 -1.418 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -10.443 -19.138 -0.745 1.00 0.00 N ATOM 0 H ARG A 124 -6.017 -13.837 1.904 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.325 -12.255 0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.164 -14.376 0.167 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.519 -14.154 -0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.751 -15.613 1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -8.437 -15.941 1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.510 -16.346 -0.939 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -6.961 -17.501 0.260 1.00 0.00 H new ATOM 0 HE ARG A 124 -9.819 -17.064 0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -7.323 -18.712 -1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -8.416 -19.992 -1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -11.208 -18.714 -0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -10.602 -19.993 -1.279 1.00 0.00 H new