USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1031 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 51 THR OG1 : rot -120:sc= -0.938 USER MOD Set 1.2: A 53 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0546) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0611 X(o=-0.061,f=-0.059) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.0514 K(o=-0.051,f=-2.9!) USER MOD Single : A 12 HIS : no HD1:sc= -2.13 K(o=-2.1,f=-4.6!) USER MOD Single : A 16 GLN : amide:sc= -0.0961 K(o=-0.096,f=-1.6!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= -1.31 (180deg=-1.78) USER MOD Single : A 21 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.1!) USER MOD Single : A 24 LYS NZ :NH3+ 144:sc= 1.2 (180deg=-0.196!) USER MOD Single : A 25 GLN : amide:sc= -0.0809 X(o=-0.081,f=0) USER MOD Single : A 28 SER OG : rot -52:sc= 0.149 USER MOD Single : A 29 GLN : amide:sc= -0.0787 K(o=-0.079,f=-1.8!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.104 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 MET CE :methyl 172:sc= -0.555 (180deg=-0.76) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 40 THR OG1 : rot -90:sc= -1.17 USER MOD Single : A 46 GLN : amide:sc=-0.00168 K(o=-0.0017,f=-1.3!) USER MOD Single : A 47 GLN : amide:sc= -2.95! C(o=-3!,f=-3.7!) USER MOD Single : A 56 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.25) USER MOD Single : A 60 GLN : amide:sc= -0.93 K(o=-0.93,f=-0.0087) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -140:sc= -2.4 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -7.3! C(o=-6.4!,f=-17!) USER MOD Single : A 72 HIS : no HD1:sc= -2.16! K(o=-2.2!,f=-1.2) USER MOD Single : A 73 GLN : amide:sc= -0.251 K(o=-0.25,f=-2.3!) USER MOD Single : A 74 GLN : amide:sc= -0.852 X(o=-0.85,f=-0.78) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -53:sc= -1.41! USER MOD Single : A 84 THR OG1 : rot -71:sc= -0.0168 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00216 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 100 GLN : amide:sc= -1.86 K(o=-1.9,f=-6.6!) USER MOD Single : A 102 ASN : amide:sc= -12.7! C(o=-13!,f=-7.1!) USER MOD Single : A 103 ASN : amide:sc= -1.84! C(o=-1.8!,f=-7.2!) USER MOD Single : A 105 GLN : amide:sc= -0.388 K(o=-0.39,f=-1.2) USER MOD Single : A 106 GLN : amide:sc= -0.0619 X(o=-0.062,f=-0.098) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 TYR OH : rot -15:sc= -0.528 USER MOD Single : A 114 GLN : amide:sc= -6.26! C(o=-6.3!,f=-9.7!) USER MOD Single : A 115 GLN : amide:sc= -0.0342 X(o=-0.034,f=0) USER MOD Single : A 127 SER OG : rot 70:sc= 0.234 USER MOD Single : A 129 LYS NZ :NH3+ 176:sc= -4.62! (180deg=-4.83!) USER MOD Single : A 132 SER OG : rot -71:sc= -0.0276 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.596 9.478 -0.610 1.00 0.00 N ATOM 2 CA PRO A 1 5.978 9.555 -0.038 1.00 0.00 C ATOM 3 C PRO A 1 5.923 10.277 1.315 1.00 0.00 C ATOM 4 O PRO A 1 5.401 11.373 1.430 1.00 0.00 O ATOM 5 CB PRO A 1 6.869 10.320 -1.035 1.00 0.00 C ATOM 6 CG PRO A 1 5.981 10.716 -2.221 1.00 0.00 C ATOM 7 CD PRO A 1 4.562 10.207 -1.915 1.00 0.00 C ATOM 0 H2 PRO A 1 3.924 9.888 0.039 1.00 0.00 H new ATOM 0 H3 PRO A 1 4.325 8.504 -0.745 1.00 0.00 H new ATOM 0 HA PRO A 1 6.391 8.559 0.122 1.00 0.00 H new ATOM 0 HB2 PRO A 1 7.302 11.204 -0.566 1.00 0.00 H new ATOM 0 HB3 PRO A 1 7.699 9.697 -1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 1 5.981 11.797 -2.358 1.00 0.00 H new ATOM 0 HG3 PRO A 1 6.356 10.278 -3.146 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.862 11.041 -1.866 1.00 0.00 H new ATOM 0 HD3 PRO A 1 4.216 9.547 -2.710 1.00 0.00 H new ATOM 17 N VAL A 2 6.483 9.676 2.332 1.00 0.00 N ATOM 18 CA VAL A 2 6.488 10.309 3.683 1.00 0.00 C ATOM 19 C VAL A 2 7.829 10.034 4.353 1.00 0.00 C ATOM 20 O VAL A 2 8.192 8.903 4.607 1.00 0.00 O ATOM 21 CB VAL A 2 5.356 9.715 4.532 1.00 0.00 C ATOM 22 CG1 VAL A 2 5.609 8.207 4.744 1.00 0.00 C ATOM 23 CG2 VAL A 2 5.269 10.452 5.903 1.00 0.00 C ATOM 0 H VAL A 2 6.941 8.766 2.283 1.00 0.00 H new ATOM 0 HA VAL A 2 6.337 11.384 3.588 1.00 0.00 H new ATOM 0 HB VAL A 2 4.407 9.846 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.805 7.784 5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.640 7.704 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.560 8.066 5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.462 10.022 6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.212 10.339 6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.071 11.511 5.735 1.00 0.00 H new ATOM 33 N MET A 3 8.576 11.063 4.625 1.00 0.00 N ATOM 34 CA MET A 3 9.906 10.877 5.261 1.00 0.00 C ATOM 35 C MET A 3 9.757 10.935 6.781 1.00 0.00 C ATOM 36 O MET A 3 9.088 11.795 7.318 1.00 0.00 O ATOM 37 CB MET A 3 10.829 11.993 4.777 1.00 0.00 C ATOM 38 CG MET A 3 10.607 12.201 3.275 1.00 0.00 C ATOM 39 SD MET A 3 11.878 13.314 2.625 1.00 0.00 S ATOM 40 CE MET A 3 13.121 12.052 2.253 1.00 0.00 C ATOM 0 H MET A 3 8.321 12.032 4.433 1.00 0.00 H new ATOM 0 HA MET A 3 10.326 9.908 4.991 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.623 12.915 5.320 1.00 0.00 H new ATOM 0 HB3 MET A 3 11.869 11.734 4.972 1.00 0.00 H new ATOM 0 HG2 MET A 3 10.646 11.244 2.755 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.616 12.620 3.098 1.00 0.00 H new ATOM 0 HE1 MET A 3 14.008 12.527 1.833 1.00 0.00 H new ATOM 0 HE2 MET A 3 13.390 11.526 3.169 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.714 11.342 1.533 1.00 0.00 H new ATOM 50 N HIS A 4 10.379 10.024 7.478 1.00 0.00 N ATOM 51 CA HIS A 4 10.281 10.017 8.966 1.00 0.00 C ATOM 52 C HIS A 4 11.593 9.482 9.555 1.00 0.00 C ATOM 53 O HIS A 4 11.644 8.353 10.000 1.00 0.00 O ATOM 54 CB HIS A 4 9.132 9.098 9.388 1.00 0.00 C ATOM 55 CG HIS A 4 8.954 9.173 10.879 1.00 0.00 C ATOM 56 ND1 HIS A 4 8.751 8.044 11.657 1.00 0.00 N ATOM 57 CD2 HIS A 4 8.946 10.234 11.750 1.00 0.00 C ATOM 58 CE1 HIS A 4 8.631 8.448 12.935 1.00 0.00 C ATOM 59 NE2 HIS A 4 8.742 9.774 13.048 1.00 0.00 N ATOM 0 H HIS A 4 10.953 9.281 7.080 1.00 0.00 H new ATOM 0 HA HIS A 4 10.099 11.029 9.328 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.211 9.394 8.885 1.00 0.00 H new ATOM 0 HB3 HIS A 4 9.343 8.072 9.087 1.00 0.00 H new ATOM 0 HD2 HIS A 4 9.078 11.269 11.471 1.00 0.00 H new ATOM 0 HE1 HIS A 4 8.465 7.781 13.768 1.00 0.00 H new ATOM 0 HE2 HIS A 4 8.689 10.330 13.901 1.00 0.00 H new ATOM 67 N PRO A 5 12.622 10.303 9.551 1.00 0.00 N ATOM 68 CA PRO A 5 13.929 9.898 10.097 1.00 0.00 C ATOM 69 C PRO A 5 13.790 9.639 11.604 1.00 0.00 C ATOM 70 O PRO A 5 13.257 10.453 12.333 1.00 0.00 O ATOM 71 CB PRO A 5 14.866 11.099 9.808 1.00 0.00 C ATOM 72 CG PRO A 5 14.044 12.145 9.000 1.00 0.00 C ATOM 73 CD PRO A 5 12.575 11.673 8.997 1.00 0.00 C ATOM 0 HA PRO A 5 14.318 8.981 9.655 1.00 0.00 H new ATOM 0 HB2 PRO A 5 15.232 11.534 10.738 1.00 0.00 H new ATOM 0 HB3 PRO A 5 15.740 10.777 9.242 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.129 13.133 9.453 1.00 0.00 H new ATOM 0 HG3 PRO A 5 14.423 12.227 7.981 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.948 12.325 9.605 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.159 11.679 7.990 1.00 0.00 H new ATOM 81 N HIS A 6 14.256 8.511 12.074 1.00 0.00 N ATOM 82 CA HIS A 6 14.142 8.199 13.529 1.00 0.00 C ATOM 83 C HIS A 6 14.552 9.421 14.353 1.00 0.00 C ATOM 84 O HIS A 6 15.713 9.613 14.657 1.00 0.00 O ATOM 85 CB HIS A 6 15.059 7.022 13.870 1.00 0.00 C ATOM 86 CG HIS A 6 14.941 6.701 15.334 1.00 0.00 C ATOM 87 ND1 HIS A 6 16.022 6.782 16.198 1.00 0.00 N ATOM 88 CD2 HIS A 6 13.877 6.296 16.102 1.00 0.00 C ATOM 89 CE1 HIS A 6 15.588 6.434 17.424 1.00 0.00 C ATOM 90 NE2 HIS A 6 14.288 6.128 17.421 1.00 0.00 N ATOM 0 H HIS A 6 14.711 7.792 11.512 1.00 0.00 H new ATOM 0 HA HIS A 6 13.110 7.938 13.763 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.788 6.151 13.273 1.00 0.00 H new ATOM 0 HB3 HIS A 6 16.092 7.269 13.623 1.00 0.00 H new ATOM 0 HD2 HIS A 6 12.874 6.133 15.738 1.00 0.00 H new ATOM 0 HE1 HIS A 6 16.215 6.406 18.303 1.00 0.00 H new ATOM 0 HE2 HIS A 6 13.719 5.834 18.215 1.00 0.00 H new ATOM 98 N GLY A 7 13.603 10.249 14.719 1.00 0.00 N ATOM 99 CA GLY A 7 13.925 11.467 15.530 1.00 0.00 C ATOM 100 C GLY A 7 13.166 12.681 14.982 1.00 0.00 C ATOM 101 O GLY A 7 12.437 13.339 15.698 1.00 0.00 O ATOM 0 H GLY A 7 12.616 10.134 14.490 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.656 11.301 16.573 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.998 11.657 15.504 1.00 0.00 H new ATOM 105 N ALA A 8 13.350 13.005 13.728 1.00 0.00 N ATOM 106 CA ALA A 8 12.659 14.199 13.158 1.00 0.00 C ATOM 107 C ALA A 8 11.138 13.940 13.083 1.00 0.00 C ATOM 108 O ALA A 8 10.683 12.883 13.471 1.00 0.00 O ATOM 109 CB ALA A 8 13.235 14.487 11.758 1.00 0.00 C ATOM 0 H ALA A 8 13.947 12.496 13.076 1.00 0.00 H new ATOM 0 HA ALA A 8 12.823 15.067 13.797 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.737 15.358 11.332 1.00 0.00 H new ATOM 0 HB2 ALA A 8 14.304 14.683 11.838 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.072 13.624 11.113 1.00 0.00 H new ATOM 115 N PRO A 9 10.388 14.916 12.595 1.00 0.00 N ATOM 116 CA PRO A 9 8.929 14.801 12.483 1.00 0.00 C ATOM 117 C PRO A 9 8.572 14.170 11.131 1.00 0.00 C ATOM 118 O PRO A 9 9.410 14.096 10.255 1.00 0.00 O ATOM 119 CB PRO A 9 8.440 16.263 12.491 1.00 0.00 C ATOM 120 CG PRO A 9 9.679 17.153 12.189 1.00 0.00 C ATOM 121 CD PRO A 9 10.902 16.213 12.122 1.00 0.00 C ATOM 0 HA PRO A 9 8.490 14.193 13.274 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.663 16.415 11.742 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.006 16.520 13.457 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.550 17.687 11.247 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.813 17.905 12.966 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.293 16.140 11.107 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.716 16.573 12.752 1.00 0.00 H new ATOM 129 N PRO A 10 7.327 13.795 10.969 1.00 0.00 N ATOM 130 CA PRO A 10 6.871 13.252 9.687 1.00 0.00 C ATOM 131 C PRO A 10 6.924 14.351 8.615 1.00 0.00 C ATOM 132 O PRO A 10 6.436 15.443 8.832 1.00 0.00 O ATOM 133 CB PRO A 10 5.401 12.822 9.943 1.00 0.00 C ATOM 134 CG PRO A 10 5.015 13.300 11.370 1.00 0.00 C ATOM 135 CD PRO A 10 6.295 13.845 12.035 1.00 0.00 C ATOM 0 HA PRO A 10 7.486 12.423 9.337 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.738 13.263 9.199 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.298 11.740 9.860 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.248 14.073 11.322 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.601 12.477 11.952 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.150 14.863 12.398 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.584 13.239 12.894 1.00 0.00 H new ATOM 143 N ASN A 11 7.509 14.090 7.471 1.00 0.00 N ATOM 144 CA ASN A 11 7.582 15.145 6.405 1.00 0.00 C ATOM 145 C ASN A 11 7.199 14.559 5.045 1.00 0.00 C ATOM 146 O ASN A 11 7.821 13.640 4.552 1.00 0.00 O ATOM 147 CB ASN A 11 9.009 15.693 6.334 1.00 0.00 C ATOM 148 CG ASN A 11 9.030 16.951 5.464 1.00 0.00 C ATOM 149 OD1 ASN A 11 7.998 17.418 5.024 1.00 0.00 O ATOM 150 ND2 ASN A 11 10.172 17.524 5.195 1.00 0.00 N ATOM 0 H ASN A 11 7.938 13.197 7.228 1.00 0.00 H new ATOM 0 HA ASN A 11 6.885 15.945 6.653 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.371 15.925 7.336 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.679 14.940 5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.198 18.363 4.616 1.00 0.00 H new ATOM 0 HD22 ASN A 11 11.039 17.132 5.564 1.00 0.00 H new ATOM 157 N HIS A 12 6.190 15.112 4.422 1.00 0.00 N ATOM 158 CA HIS A 12 5.777 14.619 3.078 1.00 0.00 C ATOM 159 C HIS A 12 6.778 15.151 2.057 1.00 0.00 C ATOM 160 O HIS A 12 7.443 16.137 2.303 1.00 0.00 O ATOM 161 CB HIS A 12 4.377 15.141 2.746 1.00 0.00 C ATOM 162 CG HIS A 12 4.332 16.629 2.963 1.00 0.00 C ATOM 163 ND1 HIS A 12 4.083 17.187 4.207 1.00 0.00 N ATOM 164 CD2 HIS A 12 4.503 17.687 2.105 1.00 0.00 C ATOM 165 CE1 HIS A 12 4.111 18.525 4.064 1.00 0.00 C ATOM 166 NE2 HIS A 12 4.363 18.883 2.802 1.00 0.00 N ATOM 0 H HIS A 12 5.635 15.885 4.789 1.00 0.00 H new ATOM 0 HA HIS A 12 5.757 13.529 3.061 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.125 14.906 1.712 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.635 14.648 3.375 1.00 0.00 H new ATOM 0 HD2 HIS A 12 4.714 17.604 1.049 1.00 0.00 H new ATOM 0 HE1 HIS A 12 3.949 19.224 4.871 1.00 0.00 H new ATOM 0 HE2 HIS A 12 4.437 19.830 2.429 1.00 0.00 H new ATOM 174 N ARG A 13 6.926 14.517 0.924 1.00 0.00 N ATOM 175 CA ARG A 13 7.929 15.031 -0.058 1.00 0.00 C ATOM 176 C ARG A 13 7.357 16.269 -0.790 1.00 0.00 C ATOM 177 O ARG A 13 6.158 16.370 -0.957 1.00 0.00 O ATOM 178 CB ARG A 13 8.257 13.930 -1.079 1.00 0.00 C ATOM 179 CG ARG A 13 9.299 12.970 -0.480 1.00 0.00 C ATOM 180 CD ARG A 13 9.633 11.833 -1.470 1.00 0.00 C ATOM 181 NE ARG A 13 10.922 12.140 -2.152 1.00 0.00 N ATOM 182 CZ ARG A 13 11.559 11.201 -2.795 1.00 0.00 C ATOM 183 NH1 ARG A 13 11.067 9.993 -2.842 1.00 0.00 N ATOM 184 NH2 ARG A 13 12.689 11.468 -3.390 1.00 0.00 N ATOM 0 H ARG A 13 6.410 13.685 0.639 1.00 0.00 H new ATOM 0 HA ARG A 13 8.839 15.317 0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.352 13.383 -1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.641 14.374 -1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.207 13.520 -0.232 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.918 12.548 0.450 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.705 10.883 -0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.835 11.728 -2.205 1.00 0.00 H new ATOM 0 HE ARG A 13 11.306 13.084 -2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.184 9.783 -2.376 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.565 9.259 -3.345 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.075 12.412 -3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.187 10.733 -3.893 1.00 0.00 H new ATOM 198 N PRO A 14 8.226 17.180 -1.209 1.00 0.00 N ATOM 199 CA PRO A 14 7.798 18.408 -1.921 1.00 0.00 C ATOM 200 C PRO A 14 6.907 18.099 -3.129 1.00 0.00 C ATOM 201 O PRO A 14 6.259 17.077 -3.210 1.00 0.00 O ATOM 202 CB PRO A 14 9.123 19.062 -2.399 1.00 0.00 C ATOM 203 CG PRO A 14 10.301 18.232 -1.820 1.00 0.00 C ATOM 204 CD PRO A 14 9.694 17.073 -1.008 1.00 0.00 C ATOM 0 HA PRO A 14 7.206 19.051 -1.270 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.168 19.080 -3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.182 20.096 -2.060 1.00 0.00 H new ATOM 0 HG2 PRO A 14 10.931 17.849 -2.623 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.934 18.854 -1.187 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.069 16.110 -1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.953 17.154 0.048 1.00 0.00 H new ATOM 212 N TRP A 15 6.919 19.005 -4.074 1.00 0.00 N ATOM 213 CA TRP A 15 6.140 18.850 -5.328 1.00 0.00 C ATOM 214 C TRP A 15 4.642 18.964 -5.074 1.00 0.00 C ATOM 215 O TRP A 15 3.980 19.775 -5.685 1.00 0.00 O ATOM 216 CB TRP A 15 6.438 17.494 -5.981 1.00 0.00 C ATOM 217 CG TRP A 15 7.908 17.215 -5.938 1.00 0.00 C ATOM 218 CD1 TRP A 15 8.881 18.155 -5.902 1.00 0.00 C ATOM 219 CD2 TRP A 15 8.586 15.925 -5.935 1.00 0.00 C ATOM 220 NE1 TRP A 15 10.111 17.524 -5.872 1.00 0.00 N ATOM 221 CE2 TRP A 15 9.982 16.150 -5.891 1.00 0.00 C ATOM 222 CE3 TRP A 15 8.129 14.595 -5.963 1.00 0.00 C ATOM 223 CZ2 TRP A 15 10.893 15.093 -5.878 1.00 0.00 C ATOM 224 CZ3 TRP A 15 9.043 13.529 -5.950 1.00 0.00 C ATOM 225 CH2 TRP A 15 10.422 13.777 -5.907 1.00 0.00 C ATOM 0 H TRP A 15 7.456 19.871 -4.020 1.00 0.00 H new ATOM 0 HA TRP A 15 6.442 19.655 -5.998 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.895 16.704 -5.462 1.00 0.00 H new ATOM 0 HB3 TRP A 15 6.090 17.495 -7.014 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.723 19.223 -5.897 1.00 0.00 H new ATOM 0 HE1 TRP A 15 11.005 18.014 -5.840 1.00 0.00 H new ATOM 0 HE3 TRP A 15 7.069 14.392 -5.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 11.954 15.290 -5.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 8.681 12.512 -5.973 1.00 0.00 H new ATOM 0 HH2 TRP A 15 11.120 12.953 -5.896 1.00 0.00 H new ATOM 236 N GLN A 16 4.087 18.136 -4.227 1.00 0.00 N ATOM 237 CA GLN A 16 2.604 18.186 -4.019 1.00 0.00 C ATOM 238 C GLN A 16 2.129 17.006 -3.146 1.00 0.00 C ATOM 239 O GLN A 16 1.974 15.907 -3.639 1.00 0.00 O ATOM 240 CB GLN A 16 1.920 18.040 -5.397 1.00 0.00 C ATOM 241 CG GLN A 16 2.734 17.063 -6.280 1.00 0.00 C ATOM 242 CD GLN A 16 1.798 16.312 -7.236 1.00 0.00 C ATOM 243 OE1 GLN A 16 0.664 16.703 -7.426 1.00 0.00 O ATOM 244 NE2 GLN A 16 2.231 15.245 -7.849 1.00 0.00 N ATOM 0 H GLN A 16 4.585 17.436 -3.677 1.00 0.00 H new ATOM 0 HA GLN A 16 2.352 19.127 -3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.902 17.671 -5.272 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.849 19.013 -5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.483 17.613 -6.849 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.270 16.353 -5.651 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.183 14.916 -7.690 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.617 14.739 -8.488 1.00 0.00 H new ATOM 253 N MET A 17 1.836 17.210 -1.881 1.00 0.00 N ATOM 254 CA MET A 17 1.313 16.073 -1.069 1.00 0.00 C ATOM 255 C MET A 17 -0.188 15.982 -1.369 1.00 0.00 C ATOM 256 O MET A 17 -0.901 15.094 -0.929 1.00 0.00 O ATOM 257 CB MET A 17 1.528 16.357 0.420 1.00 0.00 C ATOM 258 CG MET A 17 0.801 17.647 0.802 1.00 0.00 C ATOM 259 SD MET A 17 1.343 18.182 2.444 1.00 0.00 S ATOM 260 CE MET A 17 0.366 19.704 2.520 1.00 0.00 C ATOM 0 H MET A 17 1.935 18.097 -1.388 1.00 0.00 H new ATOM 0 HA MET A 17 1.824 15.142 -1.313 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.154 15.526 1.018 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.593 16.450 0.634 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.009 18.425 0.067 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.277 17.484 0.798 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.550 20.207 3.469 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.653 20.362 1.699 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.693 19.461 2.437 1.00 0.00 H new ATOM 270 N LYS A 18 -0.652 16.927 -2.142 1.00 0.00 N ATOM 271 CA LYS A 18 -2.087 16.977 -2.524 1.00 0.00 C ATOM 272 C LYS A 18 -2.369 15.924 -3.591 1.00 0.00 C ATOM 273 O LYS A 18 -3.443 15.884 -4.159 1.00 0.00 O ATOM 274 CB LYS A 18 -2.422 18.366 -3.074 1.00 0.00 C ATOM 275 CG LYS A 18 -1.424 18.738 -4.174 1.00 0.00 C ATOM 276 CD LYS A 18 -1.867 20.040 -4.845 1.00 0.00 C ATOM 277 CE LYS A 18 -0.915 20.371 -5.996 1.00 0.00 C ATOM 278 NZ LYS A 18 0.382 20.855 -5.445 1.00 0.00 N ATOM 0 H LYS A 18 -0.083 17.679 -2.530 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.702 16.776 -1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.437 18.376 -3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.387 19.104 -2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.427 18.856 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.365 17.938 -4.912 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.886 19.940 -5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.872 20.852 -4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.753 19.487 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.356 21.133 -6.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.105 20.838 -6.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.269 21.828 -5.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.679 20.238 -4.663 1.00 0.00 H new ATOM 292 N ASP A 19 -1.427 15.046 -3.848 1.00 0.00 N ATOM 293 CA ASP A 19 -1.674 13.973 -4.862 1.00 0.00 C ATOM 294 C ASP A 19 -2.241 12.760 -4.128 1.00 0.00 C ATOM 295 O ASP A 19 -3.209 12.164 -4.568 1.00 0.00 O ATOM 296 CB ASP A 19 -0.389 13.614 -5.610 1.00 0.00 C ATOM 297 CG ASP A 19 -0.652 12.429 -6.542 1.00 0.00 C ATOM 298 OD1 ASP A 19 -1.408 12.598 -7.484 1.00 0.00 O ATOM 299 OD2 ASP A 19 -0.091 11.374 -6.297 1.00 0.00 O ATOM 0 H ASP A 19 -0.509 15.026 -3.405 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.384 14.323 -5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.039 14.471 -6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.399 13.363 -4.900 1.00 0.00 H new ATOM 304 N LEU A 20 -1.731 12.421 -2.973 1.00 0.00 N ATOM 305 CA LEU A 20 -2.365 11.295 -2.250 1.00 0.00 C ATOM 306 C LEU A 20 -3.740 11.799 -1.842 1.00 0.00 C ATOM 307 O LEU A 20 -4.708 11.068 -1.833 1.00 0.00 O ATOM 308 CB LEU A 20 -1.547 10.872 -1.017 1.00 0.00 C ATOM 309 CG LEU A 20 -1.506 12.011 0.041 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.544 11.762 1.145 1.00 0.00 C ATOM 311 CD2 LEU A 20 -0.115 12.076 0.688 1.00 0.00 C ATOM 0 H LEU A 20 -0.932 12.860 -2.517 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.425 10.408 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.984 9.976 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.532 10.615 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.730 12.950 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.499 12.570 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.541 11.725 0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.330 10.814 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.095 12.876 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.104 11.126 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.634 12.272 -0.079 1.00 0.00 H new ATOM 323 N GLN A 21 -3.848 13.071 -1.535 1.00 0.00 N ATOM 324 CA GLN A 21 -5.180 13.623 -1.173 1.00 0.00 C ATOM 325 C GLN A 21 -6.158 13.267 -2.298 1.00 0.00 C ATOM 326 O GLN A 21 -7.234 12.753 -2.068 1.00 0.00 O ATOM 327 CB GLN A 21 -5.086 15.145 -1.034 1.00 0.00 C ATOM 328 CG GLN A 21 -6.392 15.686 -0.448 1.00 0.00 C ATOM 329 CD GLN A 21 -6.474 15.327 1.037 1.00 0.00 C ATOM 330 OE1 GLN A 21 -7.524 14.962 1.529 1.00 0.00 O ATOM 331 NE2 GLN A 21 -5.403 15.416 1.777 1.00 0.00 N ATOM 0 H GLN A 21 -3.077 13.739 -1.521 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.521 13.206 -0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -4.248 15.411 -0.389 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.896 15.599 -2.007 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.439 16.768 -0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.244 15.265 -0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.522 15.722 1.364 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.447 15.179 2.768 1.00 0.00 H new ATOM 340 N ALA A 22 -5.769 13.527 -3.520 1.00 0.00 N ATOM 341 CA ALA A 22 -6.639 13.194 -4.687 1.00 0.00 C ATOM 342 C ALA A 22 -7.174 11.769 -4.524 1.00 0.00 C ATOM 343 O ALA A 22 -8.293 11.446 -4.905 1.00 0.00 O ATOM 344 CB ALA A 22 -5.791 13.257 -5.960 1.00 0.00 C ATOM 0 H ALA A 22 -4.877 13.960 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.469 13.897 -4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.412 13.016 -6.823 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.383 14.261 -6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.974 12.539 -5.889 1.00 0.00 H new ATOM 350 N ILE A 23 -6.378 10.923 -3.916 1.00 0.00 N ATOM 351 CA ILE A 23 -6.804 9.512 -3.675 1.00 0.00 C ATOM 352 C ILE A 23 -7.565 9.458 -2.349 1.00 0.00 C ATOM 353 O ILE A 23 -8.410 8.606 -2.139 1.00 0.00 O ATOM 354 CB ILE A 23 -5.558 8.609 -3.607 1.00 0.00 C ATOM 355 CG1 ILE A 23 -5.063 8.291 -5.023 1.00 0.00 C ATOM 356 CG2 ILE A 23 -5.882 7.293 -2.882 1.00 0.00 C ATOM 357 CD1 ILE A 23 -4.955 9.573 -5.849 1.00 0.00 C ATOM 0 H ILE A 23 -5.445 11.153 -3.575 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.447 9.164 -4.483 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.782 9.140 -3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.091 7.799 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.748 7.595 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.989 6.669 -2.844 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.217 7.509 -1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.670 6.766 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.602 9.331 -6.852 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.934 10.048 -5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.251 10.255 -5.372 1.00 0.00 H new ATOM 369 N LYS A 24 -7.338 10.414 -1.492 1.00 0.00 N ATOM 370 CA LYS A 24 -8.088 10.490 -0.214 1.00 0.00 C ATOM 371 C LYS A 24 -9.413 11.163 -0.528 1.00 0.00 C ATOM 372 O LYS A 24 -10.212 11.398 0.344 1.00 0.00 O ATOM 373 CB LYS A 24 -7.307 11.321 0.818 1.00 0.00 C ATOM 374 CG LYS A 24 -7.797 10.999 2.234 1.00 0.00 C ATOM 375 CD LYS A 24 -7.243 12.038 3.210 1.00 0.00 C ATOM 376 CE LYS A 24 -7.821 11.789 4.604 1.00 0.00 C ATOM 377 NZ LYS A 24 -7.331 12.843 5.538 1.00 0.00 N ATOM 0 H LYS A 24 -6.652 11.157 -1.629 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.238 9.497 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.241 11.108 0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.436 12.384 0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.887 11.001 2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.472 10.000 2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.155 11.980 3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.499 13.042 2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.910 11.799 4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.524 10.803 4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.082 13.082 6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.499 12.491 6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.070 13.692 4.997 1.00 0.00 H new ATOM 391 N GLN A 25 -9.678 11.424 -1.779 1.00 0.00 N ATOM 392 CA GLN A 25 -10.985 12.031 -2.157 1.00 0.00 C ATOM 393 C GLN A 25 -11.883 10.917 -2.701 1.00 0.00 C ATOM 394 O GLN A 25 -12.787 10.441 -2.037 1.00 0.00 O ATOM 395 CB GLN A 25 -10.766 13.085 -3.247 1.00 0.00 C ATOM 396 CG GLN A 25 -10.155 14.345 -2.630 1.00 0.00 C ATOM 397 CD GLN A 25 -10.135 15.464 -3.671 1.00 0.00 C ATOM 398 OE1 GLN A 25 -9.093 16.015 -3.969 1.00 0.00 O ATOM 399 NE2 GLN A 25 -11.251 15.828 -4.240 1.00 0.00 N ATOM 0 H GLN A 25 -9.044 11.242 -2.557 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.446 12.507 -1.292 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.107 12.691 -4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.714 13.327 -3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.734 14.654 -1.760 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.143 14.139 -2.283 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.125 15.366 -3.990 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.249 16.575 -4.935 1.00 0.00 H new ATOM 408 N GLU A 26 -11.634 10.507 -3.917 1.00 0.00 N ATOM 409 CA GLU A 26 -12.470 9.434 -4.539 1.00 0.00 C ATOM 410 C GLU A 26 -12.619 8.232 -3.574 1.00 0.00 C ATOM 411 O GLU A 26 -13.584 7.479 -3.644 1.00 0.00 O ATOM 412 CB GLU A 26 -11.809 8.990 -5.870 1.00 0.00 C ATOM 413 CG GLU A 26 -12.723 9.308 -7.065 1.00 0.00 C ATOM 414 CD GLU A 26 -14.004 8.479 -6.964 1.00 0.00 C ATOM 415 OE1 GLU A 26 -13.906 7.315 -6.613 1.00 0.00 O ATOM 416 OE2 GLU A 26 -15.061 9.023 -7.239 1.00 0.00 O ATOM 0 H GLU A 26 -10.886 10.869 -4.509 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.468 9.822 -4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.852 9.497 -5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.601 7.920 -5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.965 10.371 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.207 9.087 -8.000 1.00 0.00 H new ATOM 423 N VAL A 27 -11.760 8.105 -2.593 1.00 0.00 N ATOM 424 CA VAL A 27 -11.941 7.010 -1.592 1.00 0.00 C ATOM 425 C VAL A 27 -12.671 7.630 -0.409 1.00 0.00 C ATOM 426 O VAL A 27 -13.592 7.039 0.119 1.00 0.00 O ATOM 427 CB VAL A 27 -10.601 6.399 -1.159 1.00 0.00 C ATOM 428 CG1 VAL A 27 -9.753 6.097 -2.395 1.00 0.00 C ATOM 429 CG2 VAL A 27 -9.860 7.378 -0.237 1.00 0.00 C ATOM 0 H VAL A 27 -10.949 8.706 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.511 6.188 -2.024 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.783 5.471 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.802 5.663 -2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.282 5.392 -3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.569 7.020 -2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.909 6.941 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.676 8.311 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.468 7.578 0.645 1.00 0.00 H new ATOM 439 N SER A 28 -12.363 8.839 -0.032 1.00 0.00 N ATOM 440 CA SER A 28 -13.168 9.456 1.048 1.00 0.00 C ATOM 441 C SER A 28 -14.414 9.997 0.351 1.00 0.00 C ATOM 442 O SER A 28 -15.013 10.962 0.785 1.00 0.00 O ATOM 443 CB SER A 28 -12.415 10.604 1.721 1.00 0.00 C ATOM 444 OG SER A 28 -13.085 10.955 2.925 1.00 0.00 O ATOM 0 H SER A 28 -11.610 9.411 -0.414 1.00 0.00 H new ATOM 0 HA SER A 28 -13.399 8.733 1.830 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.388 10.307 1.935 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.365 11.464 1.053 1.00 0.00 H new ATOM 0 HG SER A 28 -14.033 11.115 2.737 1.00 0.00 H new ATOM 450 N GLN A 29 -14.805 9.362 -0.749 1.00 0.00 N ATOM 451 CA GLN A 29 -16.009 9.802 -1.521 1.00 0.00 C ATOM 452 C GLN A 29 -17.012 8.644 -1.560 1.00 0.00 C ATOM 453 O GLN A 29 -18.213 8.825 -1.610 1.00 0.00 O ATOM 454 CB GLN A 29 -15.595 10.073 -2.966 1.00 0.00 C ATOM 455 CG GLN A 29 -16.823 10.489 -3.776 1.00 0.00 C ATOM 456 CD GLN A 29 -16.376 11.079 -5.113 1.00 0.00 C ATOM 457 OE1 GLN A 29 -15.314 11.661 -5.208 1.00 0.00 O ATOM 458 NE2 GLN A 29 -17.148 10.954 -6.157 1.00 0.00 N ATOM 0 H GLN A 29 -14.327 8.550 -1.139 1.00 0.00 H new ATOM 0 HA GLN A 29 -16.438 10.690 -1.057 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.841 10.859 -2.999 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.144 9.181 -3.400 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -17.469 9.628 -3.944 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -17.407 11.222 -3.220 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -18.040 10.465 -6.076 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.860 11.345 -7.054 1.00 0.00 H new ATOM 467 N ALA A 30 -16.474 7.432 -1.531 1.00 0.00 N ATOM 468 CA ALA A 30 -17.318 6.189 -1.563 1.00 0.00 C ATOM 469 C ALA A 30 -17.891 5.897 -0.180 1.00 0.00 C ATOM 470 O ALA A 30 -18.127 6.779 0.621 1.00 0.00 O ATOM 471 CB ALA A 30 -16.450 4.988 -1.982 1.00 0.00 C ATOM 0 H ALA A 30 -15.470 7.257 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 30 -18.130 6.345 -2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -17.063 4.087 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -16.033 5.169 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -15.639 4.857 -1.265 1.00 0.00 H new ATOM 477 N ALA A 31 -18.085 4.640 0.098 1.00 0.00 N ATOM 478 CA ALA A 31 -18.610 4.221 1.423 1.00 0.00 C ATOM 479 C ALA A 31 -17.406 4.164 2.381 1.00 0.00 C ATOM 480 O ALA A 31 -16.303 4.442 1.954 1.00 0.00 O ATOM 481 CB ALA A 31 -19.275 2.838 1.251 1.00 0.00 C ATOM 0 H ALA A 31 -17.898 3.873 -0.548 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.354 4.908 1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.671 2.503 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.088 2.912 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.536 2.121 0.893 1.00 0.00 H new ATOM 487 N PRO A 32 -17.617 3.819 3.634 1.00 0.00 N ATOM 488 CA PRO A 32 -16.497 3.743 4.592 1.00 0.00 C ATOM 489 C PRO A 32 -15.529 2.625 4.155 1.00 0.00 C ATOM 490 O PRO A 32 -15.087 1.820 4.950 1.00 0.00 O ATOM 491 CB PRO A 32 -17.162 3.439 5.958 1.00 0.00 C ATOM 492 CG PRO A 32 -18.700 3.373 5.722 1.00 0.00 C ATOM 493 CD PRO A 32 -18.944 3.497 4.201 1.00 0.00 C ATOM 0 HA PRO A 32 -15.907 4.658 4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.795 2.496 6.362 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -16.918 4.214 6.685 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -19.106 2.434 6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.205 4.177 6.258 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -19.338 2.569 3.786 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -19.670 4.279 3.979 1.00 0.00 H new ATOM 501 N GLY A 33 -15.207 2.574 2.885 1.00 0.00 N ATOM 502 CA GLY A 33 -14.283 1.521 2.369 1.00 0.00 C ATOM 503 C GLY A 33 -14.808 1.009 1.030 1.00 0.00 C ATOM 504 O GLY A 33 -14.702 1.659 0.009 1.00 0.00 O ATOM 0 H GLY A 33 -15.550 3.225 2.178 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.279 1.928 2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.211 0.701 3.083 1.00 0.00 H new ATOM 508 N SER A 34 -15.382 -0.155 1.046 1.00 0.00 N ATOM 509 CA SER A 34 -15.942 -0.753 -0.193 1.00 0.00 C ATOM 510 C SER A 34 -14.810 -0.963 -1.222 1.00 0.00 C ATOM 511 O SER A 34 -13.731 -0.437 -1.043 1.00 0.00 O ATOM 512 CB SER A 34 -17.023 0.192 -0.737 1.00 0.00 C ATOM 513 OG SER A 34 -16.645 0.680 -2.019 1.00 0.00 O ATOM 0 H SER A 34 -15.489 -0.730 1.882 1.00 0.00 H new ATOM 0 HA SER A 34 -16.390 -1.725 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.976 -0.333 -0.806 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.168 1.026 -0.050 1.00 0.00 H new ATOM 0 HG SER A 34 -17.341 1.281 -2.359 1.00 0.00 H new ATOM 519 N PRO A 35 -15.073 -1.720 -2.272 1.00 0.00 N ATOM 520 CA PRO A 35 -14.050 -1.977 -3.312 1.00 0.00 C ATOM 521 C PRO A 35 -13.590 -0.651 -3.933 1.00 0.00 C ATOM 522 O PRO A 35 -12.410 -0.397 -4.070 1.00 0.00 O ATOM 523 CB PRO A 35 -14.761 -2.868 -4.360 1.00 0.00 C ATOM 524 CG PRO A 35 -16.222 -3.094 -3.871 1.00 0.00 C ATOM 525 CD PRO A 35 -16.382 -2.367 -2.515 1.00 0.00 C ATOM 0 HA PRO A 35 -13.158 -2.462 -2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.755 -2.388 -5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.242 -3.820 -4.469 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.934 -2.705 -4.600 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.428 -4.159 -3.761 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.185 -1.631 -2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.630 -3.068 -1.718 1.00 0.00 H new ATOM 533 N GLN A 36 -14.524 0.176 -4.314 1.00 0.00 N ATOM 534 CA GLN A 36 -14.197 1.494 -4.940 1.00 0.00 C ATOM 535 C GLN A 36 -12.936 2.107 -4.325 1.00 0.00 C ATOM 536 O GLN A 36 -12.202 2.843 -4.970 1.00 0.00 O ATOM 537 CB GLN A 36 -15.359 2.453 -4.672 1.00 0.00 C ATOM 538 CG GLN A 36 -16.590 2.014 -5.468 1.00 0.00 C ATOM 539 CD GLN A 36 -17.737 2.993 -5.213 1.00 0.00 C ATOM 540 OE1 GLN A 36 -18.622 2.720 -4.427 1.00 0.00 O ATOM 541 NE2 GLN A 36 -17.758 4.134 -5.847 1.00 0.00 N ATOM 0 H GLN A 36 -15.522 -0.008 -4.217 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.032 1.338 -6.006 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.590 2.469 -3.607 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.077 3.468 -4.952 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -16.356 1.981 -6.532 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -16.886 1.007 -5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -17.015 4.364 -6.507 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -18.517 4.795 -5.682 1.00 0.00 H new ATOM 550 N PHE A 37 -12.704 1.854 -3.069 1.00 0.00 N ATOM 551 CA PHE A 37 -11.537 2.478 -2.406 1.00 0.00 C ATOM 552 C PHE A 37 -10.280 2.171 -3.230 1.00 0.00 C ATOM 553 O PHE A 37 -9.511 3.025 -3.625 1.00 0.00 O ATOM 554 CB PHE A 37 -11.396 1.860 -1.001 1.00 0.00 C ATOM 555 CG PHE A 37 -11.006 2.920 0.006 1.00 0.00 C ATOM 556 CD1 PHE A 37 -9.656 3.195 0.250 1.00 0.00 C ATOM 557 CD2 PHE A 37 -12.001 3.617 0.700 1.00 0.00 C ATOM 558 CE1 PHE A 37 -9.301 4.171 1.189 1.00 0.00 C ATOM 559 CE2 PHE A 37 -11.647 4.591 1.642 1.00 0.00 C ATOM 560 CZ PHE A 37 -10.297 4.868 1.886 1.00 0.00 C ATOM 0 H PHE A 37 -13.271 1.245 -2.479 1.00 0.00 H new ATOM 0 HA PHE A 37 -11.666 3.558 -2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -12.337 1.397 -0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -10.644 1.071 -1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -8.889 2.655 -0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.042 3.404 0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.259 4.387 1.376 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.415 5.128 2.179 1.00 0.00 H new ATOM 0 HZ PHE A 37 -10.023 5.619 2.612 1.00 0.00 H new ATOM 570 N MET A 38 -10.105 0.885 -3.442 1.00 0.00 N ATOM 571 CA MET A 38 -8.942 0.339 -4.192 1.00 0.00 C ATOM 572 C MET A 38 -8.853 0.939 -5.593 1.00 0.00 C ATOM 573 O MET A 38 -7.777 1.234 -6.067 1.00 0.00 O ATOM 574 CB MET A 38 -9.075 -1.185 -4.302 1.00 0.00 C ATOM 575 CG MET A 38 -7.963 -1.756 -5.215 1.00 0.00 C ATOM 576 SD MET A 38 -8.634 -2.068 -6.870 1.00 0.00 S ATOM 577 CE MET A 38 -7.394 -3.275 -7.400 1.00 0.00 C ATOM 0 H MET A 38 -10.752 0.170 -3.109 1.00 0.00 H new ATOM 0 HA MET A 38 -8.034 0.601 -3.648 1.00 0.00 H new ATOM 0 HB2 MET A 38 -9.009 -1.635 -3.312 1.00 0.00 H new ATOM 0 HB3 MET A 38 -10.054 -1.443 -4.705 1.00 0.00 H new ATOM 0 HG2 MET A 38 -7.132 -1.053 -5.275 1.00 0.00 H new ATOM 0 HG3 MET A 38 -7.569 -2.680 -4.791 1.00 0.00 H new ATOM 0 HE1 MET A 38 -7.695 -3.712 -8.352 1.00 0.00 H new ATOM 0 HE2 MET A 38 -6.430 -2.779 -7.517 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.308 -4.062 -6.650 1.00 0.00 H new ATOM 587 N GLN A 39 -9.958 1.121 -6.266 1.00 0.00 N ATOM 588 CA GLN A 39 -9.904 1.705 -7.643 1.00 0.00 C ATOM 589 C GLN A 39 -8.966 2.914 -7.622 1.00 0.00 C ATOM 590 O GLN A 39 -8.120 3.087 -8.477 1.00 0.00 O ATOM 591 CB GLN A 39 -11.309 2.146 -8.064 1.00 0.00 C ATOM 592 CG GLN A 39 -11.339 2.384 -9.576 1.00 0.00 C ATOM 593 CD GLN A 39 -12.769 2.703 -10.016 1.00 0.00 C ATOM 594 OE1 GLN A 39 -13.703 2.034 -9.621 1.00 0.00 O ATOM 595 NE2 GLN A 39 -12.982 3.705 -10.825 1.00 0.00 N ATOM 0 H GLN A 39 -10.892 0.893 -5.926 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.537 0.964 -8.353 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.038 1.383 -7.791 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.589 3.058 -7.536 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.675 3.207 -9.838 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.975 1.501 -10.101 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.199 4.268 -11.157 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.932 3.925 -11.125 1.00 0.00 H new ATOM 604 N THR A 40 -9.111 3.731 -6.623 1.00 0.00 N ATOM 605 CA THR A 40 -8.236 4.935 -6.474 1.00 0.00 C ATOM 606 C THR A 40 -6.831 4.507 -5.995 1.00 0.00 C ATOM 607 O THR A 40 -5.845 5.056 -6.451 1.00 0.00 O ATOM 608 CB THR A 40 -8.900 5.893 -5.469 1.00 0.00 C ATOM 609 OG1 THR A 40 -10.227 5.450 -5.229 1.00 0.00 O ATOM 610 CG2 THR A 40 -8.951 7.326 -5.993 1.00 0.00 C ATOM 0 H THR A 40 -9.809 3.619 -5.888 1.00 0.00 H new ATOM 0 HA THR A 40 -8.118 5.444 -7.431 1.00 0.00 H new ATOM 0 HB THR A 40 -8.307 5.888 -4.555 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.834 5.873 -5.871 1.00 0.00 H new ATOM 0 HG21 THR A 40 -9.427 7.968 -5.252 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.938 7.680 -6.182 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.524 7.354 -6.920 1.00 0.00 H new ATOM 618 N ILE A 41 -6.691 3.541 -5.143 1.00 0.00 N ATOM 619 CA ILE A 41 -5.302 3.139 -4.745 1.00 0.00 C ATOM 620 C ILE A 41 -4.743 2.220 -5.832 1.00 0.00 C ATOM 621 O ILE A 41 -3.595 1.836 -5.812 1.00 0.00 O ATOM 622 CB ILE A 41 -5.326 2.397 -3.403 1.00 0.00 C ATOM 623 CG1 ILE A 41 -6.008 3.280 -2.332 1.00 0.00 C ATOM 624 CG2 ILE A 41 -3.896 2.047 -2.974 1.00 0.00 C ATOM 625 CD1 ILE A 41 -4.996 4.256 -1.697 1.00 0.00 C ATOM 0 H ILE A 41 -7.450 3.017 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.677 4.025 -4.635 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.893 1.473 -3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.826 3.841 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.445 2.648 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.921 1.520 -2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.435 1.409 -3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.314 2.962 -2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.500 4.866 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.193 3.691 -1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.579 4.902 -2.470 1.00 0.00 H new ATOM 637 N ARG A 42 -5.566 1.860 -6.777 1.00 0.00 N ATOM 638 CA ARG A 42 -5.122 0.950 -7.872 1.00 0.00 C ATOM 639 C ARG A 42 -4.394 1.720 -8.970 1.00 0.00 C ATOM 640 O ARG A 42 -3.408 1.259 -9.510 1.00 0.00 O ATOM 641 CB ARG A 42 -6.355 0.306 -8.498 1.00 0.00 C ATOM 642 CG ARG A 42 -5.937 -0.717 -9.564 1.00 0.00 C ATOM 643 CD ARG A 42 -7.184 -1.359 -10.178 1.00 0.00 C ATOM 644 NE ARG A 42 -7.824 -0.401 -11.123 1.00 0.00 N ATOM 645 CZ ARG A 42 -8.708 -0.827 -11.985 1.00 0.00 C ATOM 646 NH1 ARG A 42 -9.020 -2.093 -12.026 1.00 0.00 N ATOM 647 NH2 ARG A 42 -9.277 0.013 -12.806 1.00 0.00 N ATOM 0 H ARG A 42 -6.539 2.161 -6.839 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.447 0.207 -7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.949 -0.184 -7.727 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.986 1.073 -8.947 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.348 -0.228 -10.340 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.303 -1.484 -9.118 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.913 -2.276 -10.701 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.887 -1.636 -9.393 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.572 0.587 -11.097 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.574 -2.749 -11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.710 -2.427 -12.699 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.031 1.002 -12.775 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.967 -0.320 -13.479 1.00 0.00 H new ATOM 661 N LEU A 43 -4.878 2.876 -9.328 1.00 0.00 N ATOM 662 CA LEU A 43 -4.221 3.651 -10.424 1.00 0.00 C ATOM 663 C LEU A 43 -3.206 4.620 -9.837 1.00 0.00 C ATOM 664 O LEU A 43 -2.378 5.163 -10.539 1.00 0.00 O ATOM 665 CB LEU A 43 -5.286 4.437 -11.196 1.00 0.00 C ATOM 666 CG LEU A 43 -6.270 3.466 -11.879 1.00 0.00 C ATOM 667 CD1 LEU A 43 -7.587 4.189 -12.175 1.00 0.00 C ATOM 668 CD2 LEU A 43 -5.679 2.947 -13.199 1.00 0.00 C ATOM 0 H LEU A 43 -5.697 3.319 -8.912 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.711 2.961 -11.096 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.826 5.096 -10.517 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.810 5.071 -11.944 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.449 2.625 -11.209 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.280 3.500 -12.658 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.023 4.548 -11.242 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.397 5.035 -12.836 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.385 2.263 -13.670 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.487 3.787 -13.867 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.745 2.423 -12.998 1.00 0.00 H new ATOM 680 N ALA A 44 -3.239 4.827 -8.553 1.00 0.00 N ATOM 681 CA ALA A 44 -2.248 5.760 -7.932 1.00 0.00 C ATOM 682 C ALA A 44 -1.027 4.974 -7.465 1.00 0.00 C ATOM 683 O ALA A 44 0.090 5.438 -7.584 1.00 0.00 O ATOM 684 CB ALA A 44 -2.887 6.483 -6.755 1.00 0.00 C ATOM 0 H ALA A 44 -3.901 4.397 -7.907 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.935 6.498 -8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.161 7.161 -6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.749 7.053 -7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.210 5.754 -6.012 1.00 0.00 H new ATOM 690 N VAL A 45 -1.202 3.790 -6.957 1.00 0.00 N ATOM 691 CA VAL A 45 -0.016 3.004 -6.522 1.00 0.00 C ATOM 692 C VAL A 45 0.527 2.237 -7.727 1.00 0.00 C ATOM 693 O VAL A 45 1.689 1.899 -7.785 1.00 0.00 O ATOM 694 CB VAL A 45 -0.413 2.026 -5.410 1.00 0.00 C ATOM 695 CG1 VAL A 45 0.717 1.024 -5.167 1.00 0.00 C ATOM 696 CG2 VAL A 45 -0.673 2.808 -4.122 1.00 0.00 C ATOM 0 H VAL A 45 -2.105 3.335 -6.824 1.00 0.00 H new ATOM 0 HA VAL A 45 0.751 3.673 -6.133 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.313 1.489 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.427 0.333 -4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.911 0.466 -6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.619 1.558 -4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.956 2.117 -3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.231 3.343 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.480 3.522 -4.286 1.00 0.00 H new ATOM 706 N GLN A 46 -0.290 1.981 -8.711 1.00 0.00 N ATOM 707 CA GLN A 46 0.212 1.252 -9.906 1.00 0.00 C ATOM 708 C GLN A 46 0.900 2.239 -10.848 1.00 0.00 C ATOM 709 O GLN A 46 1.767 1.873 -11.616 1.00 0.00 O ATOM 710 CB GLN A 46 -0.958 0.591 -10.637 1.00 0.00 C ATOM 711 CG GLN A 46 -0.422 -0.258 -11.793 1.00 0.00 C ATOM 712 CD GLN A 46 -1.578 -1.018 -12.448 1.00 0.00 C ATOM 713 OE1 GLN A 46 -2.557 -1.333 -11.802 1.00 0.00 O ATOM 714 NE2 GLN A 46 -1.505 -1.327 -13.714 1.00 0.00 N ATOM 0 H GLN A 46 -1.275 2.243 -8.739 1.00 0.00 H new ATOM 0 HA GLN A 46 0.921 0.487 -9.590 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.527 -0.032 -9.947 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.641 1.352 -11.016 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.071 0.379 -12.528 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.327 -0.960 -11.426 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.683 -1.063 -14.257 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.270 -1.833 -14.160 1.00 0.00 H new ATOM 723 N GLN A 47 0.506 3.489 -10.818 1.00 0.00 N ATOM 724 CA GLN A 47 1.128 4.485 -11.740 1.00 0.00 C ATOM 725 C GLN A 47 2.386 5.100 -11.129 1.00 0.00 C ATOM 726 O GLN A 47 3.474 4.970 -11.654 1.00 0.00 O ATOM 727 CB GLN A 47 0.125 5.605 -12.022 1.00 0.00 C ATOM 728 CG GLN A 47 -1.019 5.062 -12.881 1.00 0.00 C ATOM 729 CD GLN A 47 -2.133 6.107 -12.970 1.00 0.00 C ATOM 730 OE1 GLN A 47 -2.006 7.194 -12.443 1.00 0.00 O ATOM 731 NE2 GLN A 47 -3.228 5.821 -13.620 1.00 0.00 N ATOM 0 H GLN A 47 -0.215 3.859 -10.199 1.00 0.00 H new ATOM 0 HA GLN A 47 1.403 3.969 -12.660 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.266 6.002 -11.085 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.620 6.430 -12.535 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.654 4.818 -13.879 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.406 4.139 -12.449 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.335 4.908 -14.063 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.977 6.510 -13.685 1.00 0.00 H new ATOM 740 N PHE A 48 2.236 5.803 -10.039 1.00 0.00 N ATOM 741 CA PHE A 48 3.409 6.470 -9.406 1.00 0.00 C ATOM 742 C PHE A 48 4.160 5.510 -8.481 1.00 0.00 C ATOM 743 O PHE A 48 5.150 5.895 -7.894 1.00 0.00 O ATOM 744 CB PHE A 48 2.923 7.671 -8.590 1.00 0.00 C ATOM 745 CG PHE A 48 2.036 8.544 -9.447 1.00 0.00 C ATOM 746 CD1 PHE A 48 0.655 8.314 -9.486 1.00 0.00 C ATOM 747 CD2 PHE A 48 2.593 9.584 -10.200 1.00 0.00 C ATOM 748 CE1 PHE A 48 -0.168 9.124 -10.279 1.00 0.00 C ATOM 749 CE2 PHE A 48 1.771 10.394 -10.992 1.00 0.00 C ATOM 750 CZ PHE A 48 0.390 10.165 -11.031 1.00 0.00 C ATOM 0 H PHE A 48 1.348 5.944 -9.558 1.00 0.00 H new ATOM 0 HA PHE A 48 4.088 6.792 -10.195 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.374 7.329 -7.713 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.775 8.246 -8.228 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.225 7.512 -8.905 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.658 9.762 -10.170 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.233 8.946 -10.310 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.202 11.196 -11.573 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.244 10.791 -11.641 1.00 0.00 H new ATOM 760 N ASP A 49 3.713 4.272 -8.359 1.00 0.00 N ATOM 761 CA ASP A 49 4.413 3.267 -7.468 1.00 0.00 C ATOM 762 C ASP A 49 5.279 3.951 -6.396 1.00 0.00 C ATOM 763 O ASP A 49 6.490 3.922 -6.489 1.00 0.00 O ATOM 764 CB ASP A 49 5.325 2.383 -8.316 1.00 0.00 C ATOM 765 CG ASP A 49 4.503 1.670 -9.390 1.00 0.00 C ATOM 766 OD1 ASP A 49 3.986 2.350 -10.261 1.00 0.00 O ATOM 767 OD2 ASP A 49 4.406 0.455 -9.325 1.00 0.00 O ATOM 0 H ASP A 49 2.889 3.911 -8.840 1.00 0.00 H new ATOM 0 HA ASP A 49 3.639 2.680 -6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.102 2.988 -8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.827 1.651 -7.684 1.00 0.00 H new ATOM 772 N PRO A 50 4.650 4.553 -5.416 1.00 0.00 N ATOM 773 CA PRO A 50 5.390 5.245 -4.350 1.00 0.00 C ATOM 774 C PRO A 50 6.273 4.237 -3.603 1.00 0.00 C ATOM 775 O PRO A 50 6.023 3.048 -3.617 1.00 0.00 O ATOM 776 CB PRO A 50 4.298 5.847 -3.433 1.00 0.00 C ATOM 777 CG PRO A 50 2.919 5.518 -4.077 1.00 0.00 C ATOM 778 CD PRO A 50 3.181 4.594 -5.286 1.00 0.00 C ATOM 0 HA PRO A 50 6.057 6.023 -4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.364 5.426 -2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.429 6.925 -3.336 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.265 5.029 -3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.416 6.432 -4.394 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.770 3.598 -5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.714 4.984 -6.191 1.00 0.00 H new ATOM 786 N THR A 51 7.293 4.707 -2.945 1.00 0.00 N ATOM 787 CA THR A 51 8.184 3.783 -2.187 1.00 0.00 C ATOM 788 C THR A 51 7.424 3.244 -0.975 1.00 0.00 C ATOM 789 O THR A 51 6.325 3.672 -0.683 1.00 0.00 O ATOM 790 CB THR A 51 9.420 4.548 -1.707 1.00 0.00 C ATOM 791 OG1 THR A 51 9.020 5.607 -0.851 1.00 0.00 O ATOM 792 CG2 THR A 51 10.169 5.116 -2.914 1.00 0.00 C ATOM 0 H THR A 51 7.550 5.693 -2.898 1.00 0.00 H new ATOM 0 HA THR A 51 8.493 2.959 -2.830 1.00 0.00 H new ATOM 0 HB THR A 51 10.077 3.871 -1.160 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.314 6.462 -1.229 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.049 5.661 -2.573 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.478 4.300 -3.567 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.514 5.792 -3.463 1.00 0.00 H new ATOM 800 N ALA A 52 7.994 2.319 -0.257 1.00 0.00 N ATOM 801 CA ALA A 52 7.291 1.779 0.939 1.00 0.00 C ATOM 802 C ALA A 52 6.977 2.940 1.887 1.00 0.00 C ATOM 803 O ALA A 52 6.112 2.857 2.735 1.00 0.00 O ATOM 804 CB ALA A 52 8.195 0.774 1.642 1.00 0.00 C ATOM 0 H ALA A 52 8.912 1.915 -0.445 1.00 0.00 H new ATOM 0 HA ALA A 52 6.367 1.284 0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.684 0.376 2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.433 -0.042 0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.116 1.268 1.952 1.00 0.00 H new ATOM 810 N LYS A 53 7.676 4.028 1.724 1.00 0.00 N ATOM 811 CA LYS A 53 7.439 5.228 2.582 1.00 0.00 C ATOM 812 C LYS A 53 5.938 5.514 2.653 1.00 0.00 C ATOM 813 O LYS A 53 5.312 5.354 3.686 1.00 0.00 O ATOM 814 CB LYS A 53 8.152 6.423 1.958 1.00 0.00 C ATOM 815 CG LYS A 53 9.661 6.169 1.978 1.00 0.00 C ATOM 816 CD LYS A 53 10.405 7.426 1.524 1.00 0.00 C ATOM 817 CE LYS A 53 11.913 7.186 1.624 1.00 0.00 C ATOM 818 NZ LYS A 53 12.351 6.308 0.502 1.00 0.00 N ATOM 0 H LYS A 53 8.411 4.141 1.025 1.00 0.00 H new ATOM 0 HA LYS A 53 7.820 5.048 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.809 6.573 0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.916 7.333 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.979 5.890 2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.907 5.333 1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.132 7.673 0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.119 8.276 2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.447 8.136 1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.156 6.721 2.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.390 6.268 0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.970 5.350 0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.999 6.693 -0.398 1.00 0.00 H new ATOM 832 N ASP A 54 5.349 5.909 1.551 1.00 0.00 N ATOM 833 CA ASP A 54 3.881 6.171 1.515 1.00 0.00 C ATOM 834 C ASP A 54 3.144 5.086 2.292 1.00 0.00 C ATOM 835 O ASP A 54 2.358 5.373 3.173 1.00 0.00 O ATOM 836 CB ASP A 54 3.415 6.135 0.058 1.00 0.00 C ATOM 837 CG ASP A 54 1.988 6.680 -0.043 1.00 0.00 C ATOM 838 OD1 ASP A 54 1.745 7.750 0.490 1.00 0.00 O ATOM 839 OD2 ASP A 54 1.164 6.017 -0.651 1.00 0.00 O ATOM 0 H ASP A 54 5.831 6.062 0.665 1.00 0.00 H new ATOM 0 HA ASP A 54 3.672 7.143 1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.086 6.729 -0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.452 5.113 -0.320 1.00 0.00 H new ATOM 844 N LEU A 55 3.376 3.846 1.972 1.00 0.00 N ATOM 845 CA LEU A 55 2.666 2.750 2.700 1.00 0.00 C ATOM 846 C LEU A 55 2.715 3.017 4.208 1.00 0.00 C ATOM 847 O LEU A 55 1.850 2.598 4.951 1.00 0.00 O ATOM 848 CB LEU A 55 3.329 1.406 2.388 1.00 0.00 C ATOM 849 CG LEU A 55 3.491 1.248 0.872 1.00 0.00 C ATOM 850 CD1 LEU A 55 4.067 -0.139 0.561 1.00 0.00 C ATOM 851 CD2 LEU A 55 2.126 1.405 0.183 1.00 0.00 C ATOM 0 H LEU A 55 4.021 3.541 1.243 1.00 0.00 H new ATOM 0 HA LEU A 55 1.626 2.718 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.302 1.348 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.725 0.591 2.786 1.00 0.00 H new ATOM 0 HG LEU A 55 4.170 2.016 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.182 -0.252 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.039 -0.246 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.390 -0.907 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.247 1.292 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.442 0.642 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.720 2.393 0.401 1.00 0.00 H new ATOM 863 N GLN A 56 3.720 3.713 4.665 1.00 0.00 N ATOM 864 CA GLN A 56 3.823 4.008 6.122 1.00 0.00 C ATOM 865 C GLN A 56 2.780 5.064 6.514 1.00 0.00 C ATOM 866 O GLN A 56 1.950 4.840 7.374 1.00 0.00 O ATOM 867 CB GLN A 56 5.231 4.532 6.431 1.00 0.00 C ATOM 868 CG GLN A 56 5.511 4.415 7.932 1.00 0.00 C ATOM 869 CD GLN A 56 5.674 2.942 8.310 1.00 0.00 C ATOM 870 OE1 GLN A 56 5.013 2.456 9.206 1.00 0.00 O ATOM 871 NE2 GLN A 56 6.532 2.204 7.659 1.00 0.00 N ATOM 0 H GLN A 56 4.475 4.090 4.092 1.00 0.00 H new ATOM 0 HA GLN A 56 3.638 3.098 6.692 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.972 3.964 5.868 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.319 5.572 6.115 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.414 4.969 8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.693 4.858 8.500 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.087 2.611 6.907 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.647 1.220 7.903 1.00 0.00 H new ATOM 880 N ASP A 57 2.815 6.215 5.892 1.00 0.00 N ATOM 881 CA ASP A 57 1.823 7.284 6.239 1.00 0.00 C ATOM 882 C ASP A 57 0.529 7.084 5.448 1.00 0.00 C ATOM 883 O ASP A 57 -0.444 7.781 5.659 1.00 0.00 O ATOM 884 CB ASP A 57 2.401 8.663 5.929 1.00 0.00 C ATOM 885 CG ASP A 57 1.410 9.743 6.366 1.00 0.00 C ATOM 886 OD1 ASP A 57 0.550 10.087 5.572 1.00 0.00 O ATOM 887 OD2 ASP A 57 1.527 10.207 7.489 1.00 0.00 O ATOM 0 H ASP A 57 3.483 6.463 5.162 1.00 0.00 H new ATOM 0 HA ASP A 57 1.605 7.218 7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.351 8.795 6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.605 8.752 4.862 1.00 0.00 H new ATOM 892 N LEU A 58 0.487 6.126 4.567 1.00 0.00 N ATOM 893 CA LEU A 58 -0.773 5.877 3.803 1.00 0.00 C ATOM 894 C LEU A 58 -1.624 4.886 4.601 1.00 0.00 C ATOM 895 O LEU A 58 -2.836 4.903 4.530 1.00 0.00 O ATOM 896 CB LEU A 58 -0.445 5.302 2.418 1.00 0.00 C ATOM 897 CG LEU A 58 -1.675 5.406 1.491 1.00 0.00 C ATOM 898 CD1 LEU A 58 -1.738 6.795 0.843 1.00 0.00 C ATOM 899 CD2 LEU A 58 -1.577 4.347 0.385 1.00 0.00 C ATOM 0 H LEU A 58 1.264 5.505 4.341 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.319 6.810 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.395 5.843 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.139 4.260 2.512 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.574 5.244 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.610 6.854 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.813 7.556 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.835 6.964 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.446 4.422 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.670 4.512 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.545 3.354 0.834 1.00 0.00 H new ATOM 911 N LEU A 59 -1.007 4.054 5.395 1.00 0.00 N ATOM 912 CA LEU A 59 -1.790 3.093 6.229 1.00 0.00 C ATOM 913 C LEU A 59 -2.048 3.729 7.600 1.00 0.00 C ATOM 914 O LEU A 59 -2.912 3.306 8.333 1.00 0.00 O ATOM 915 CB LEU A 59 -0.997 1.783 6.398 1.00 0.00 C ATOM 916 CG LEU A 59 -1.312 0.807 5.248 1.00 0.00 C ATOM 917 CD1 LEU A 59 -2.757 0.274 5.358 1.00 0.00 C ATOM 918 CD2 LEU A 59 -1.120 1.523 3.903 1.00 0.00 C ATOM 0 H LEU A 59 0.006 3.997 5.504 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.739 2.867 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.071 1.998 6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.247 1.321 7.353 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.630 -0.041 5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.955 -0.413 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.880 -0.250 6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.457 1.108 5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.343 0.833 3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.792 2.379 3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.089 1.865 3.817 1.00 0.00 H new ATOM 930 N GLN A 60 -1.294 4.727 7.965 1.00 0.00 N ATOM 931 CA GLN A 60 -1.496 5.370 9.300 1.00 0.00 C ATOM 932 C GLN A 60 -2.390 6.605 9.169 1.00 0.00 C ATOM 933 O GLN A 60 -3.005 7.044 10.121 1.00 0.00 O ATOM 934 CB GLN A 60 -0.136 5.821 9.824 1.00 0.00 C ATOM 935 CG GLN A 60 0.725 4.594 10.128 1.00 0.00 C ATOM 936 CD GLN A 60 2.124 5.045 10.554 1.00 0.00 C ATOM 937 OE1 GLN A 60 2.738 4.436 11.407 1.00 0.00 O ATOM 938 NE2 GLN A 60 2.656 6.096 9.993 1.00 0.00 N ATOM 0 H GLN A 60 -0.546 5.128 7.399 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.966 4.655 9.975 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.359 6.452 9.086 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.262 6.422 10.724 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.266 4.001 10.919 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.790 3.955 9.247 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.141 6.608 9.277 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.587 6.406 10.271 1.00 0.00 H new ATOM 947 N TYR A 61 -2.437 7.190 7.996 1.00 0.00 N ATOM 948 CA TYR A 61 -3.255 8.426 7.789 1.00 0.00 C ATOM 949 C TYR A 61 -4.569 8.094 7.082 1.00 0.00 C ATOM 950 O TYR A 61 -5.633 8.477 7.527 1.00 0.00 O ATOM 951 CB TYR A 61 -2.461 9.407 6.921 1.00 0.00 C ATOM 952 CG TYR A 61 -3.092 10.779 6.998 1.00 0.00 C ATOM 953 CD1 TYR A 61 -2.953 11.547 8.161 1.00 0.00 C ATOM 954 CD2 TYR A 61 -3.814 11.284 5.909 1.00 0.00 C ATOM 955 CE1 TYR A 61 -3.535 12.818 8.234 1.00 0.00 C ATOM 956 CE2 TYR A 61 -4.396 12.554 5.983 1.00 0.00 C ATOM 957 CZ TYR A 61 -4.256 13.322 7.145 1.00 0.00 C ATOM 958 OH TYR A 61 -4.830 14.575 7.217 1.00 0.00 O ATOM 0 H TYR A 61 -1.940 6.862 7.168 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.479 8.865 8.761 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.426 9.452 7.260 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.443 9.061 5.887 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.397 11.159 9.001 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.921 10.693 5.012 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.428 13.410 9.131 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.954 12.942 5.143 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.293 14.772 6.376 1.00 0.00 H new ATOM 968 N LEU A 62 -4.511 7.402 5.978 1.00 0.00 N ATOM 969 CA LEU A 62 -5.773 7.079 5.252 1.00 0.00 C ATOM 970 C LEU A 62 -6.576 6.060 6.066 1.00 0.00 C ATOM 971 O LEU A 62 -7.784 6.001 5.956 1.00 0.00 O ATOM 972 CB LEU A 62 -5.440 6.548 3.836 1.00 0.00 C ATOM 973 CG LEU A 62 -5.969 7.509 2.758 1.00 0.00 C ATOM 974 CD1 LEU A 62 -5.307 7.187 1.417 1.00 0.00 C ATOM 975 CD2 LEU A 62 -7.491 7.365 2.630 1.00 0.00 C ATOM 0 H LEU A 62 -3.655 7.049 5.550 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.381 7.976 5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.361 6.432 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.882 5.561 3.699 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.731 8.534 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.682 7.868 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.227 7.302 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.540 6.161 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.858 8.049 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.737 6.341 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.961 7.603 3.584 1.00 0.00 H new ATOM 987 N CYS A 63 -5.935 5.298 6.914 1.00 0.00 N ATOM 988 CA CYS A 63 -6.689 4.330 7.770 1.00 0.00 C ATOM 989 C CYS A 63 -6.728 4.909 9.184 1.00 0.00 C ATOM 990 O CYS A 63 -6.985 6.081 9.373 1.00 0.00 O ATOM 991 CB CYS A 63 -5.985 2.970 7.780 1.00 0.00 C ATOM 992 SG CYS A 63 -5.379 2.596 6.117 1.00 0.00 S ATOM 0 H CYS A 63 -4.924 5.303 7.052 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.697 4.182 7.384 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.156 2.983 8.487 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.675 2.193 8.111 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.567 1.336 5.860 1.00 0.00 H new ATOM 998 N SER A 64 -6.476 4.111 10.179 1.00 0.00 N ATOM 999 CA SER A 64 -6.502 4.641 11.569 1.00 0.00 C ATOM 1000 C SER A 64 -5.954 3.593 12.529 1.00 0.00 C ATOM 1001 O SER A 64 -4.943 3.792 13.174 1.00 0.00 O ATOM 1002 CB SER A 64 -7.942 4.964 11.945 1.00 0.00 C ATOM 1003 OG SER A 64 -8.067 4.982 13.362 1.00 0.00 O ATOM 0 H SER A 64 -6.254 3.119 10.093 1.00 0.00 H new ATOM 0 HA SER A 64 -5.888 5.540 11.631 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.230 5.930 11.531 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.616 4.221 11.519 1.00 0.00 H new ATOM 0 HG SER A 64 -8.993 5.191 13.606 1.00 0.00 H new ATOM 1009 N SER A 65 -6.616 2.478 12.632 1.00 0.00 N ATOM 1010 CA SER A 65 -6.140 1.413 13.554 1.00 0.00 C ATOM 1011 C SER A 65 -6.706 0.067 13.112 1.00 0.00 C ATOM 1012 O SER A 65 -6.017 -0.737 12.517 1.00 0.00 O ATOM 1013 CB SER A 65 -6.608 1.722 14.976 1.00 0.00 C ATOM 1014 OG SER A 65 -6.207 0.668 15.842 1.00 0.00 O ATOM 0 H SER A 65 -7.468 2.257 12.117 1.00 0.00 H new ATOM 0 HA SER A 65 -5.051 1.374 13.532 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.183 2.667 15.314 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.692 1.834 14.998 1.00 0.00 H new ATOM 0 HG SER A 65 -6.504 0.864 16.755 1.00 0.00 H new ATOM 1020 N LEU A 66 -7.952 -0.197 13.401 1.00 0.00 N ATOM 1021 CA LEU A 66 -8.548 -1.498 13.003 1.00 0.00 C ATOM 1022 C LEU A 66 -8.246 -1.802 11.533 1.00 0.00 C ATOM 1023 O LEU A 66 -7.504 -2.710 11.232 1.00 0.00 O ATOM 1024 CB LEU A 66 -10.065 -1.430 13.215 1.00 0.00 C ATOM 1025 CG LEU A 66 -10.720 -2.778 12.871 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -10.179 -3.886 13.794 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -12.240 -2.652 13.047 1.00 0.00 C ATOM 0 H LEU A 66 -8.581 0.435 13.896 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.118 -2.292 13.613 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.282 -1.168 14.251 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.490 -0.643 12.592 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.486 -3.041 11.840 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.651 -4.835 13.539 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.100 -3.972 13.666 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.402 -3.637 14.831 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.714 -3.603 12.805 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.466 -2.386 14.080 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.620 -1.877 12.381 1.00 0.00 H new ATOM 1039 N VAL A 67 -8.877 -1.096 10.619 1.00 0.00 N ATOM 1040 CA VAL A 67 -8.690 -1.387 9.154 1.00 0.00 C ATOM 1041 C VAL A 67 -7.251 -1.850 8.870 1.00 0.00 C ATOM 1042 O VAL A 67 -7.010 -2.952 8.421 1.00 0.00 O ATOM 1043 CB VAL A 67 -8.990 -0.131 8.333 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -8.739 -0.420 6.852 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -10.454 0.272 8.530 1.00 0.00 C ATOM 0 H VAL A 67 -9.516 -0.328 10.824 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.378 -2.184 8.872 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.342 0.681 8.663 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.952 0.474 6.266 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.697 -0.708 6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.388 -1.232 6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.667 1.167 7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.102 -0.540 8.201 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.636 0.476 9.585 1.00 0.00 H new ATOM 1055 N ALA A 68 -6.297 -1.001 9.167 1.00 0.00 N ATOM 1056 CA ALA A 68 -4.857 -1.341 8.968 1.00 0.00 C ATOM 1057 C ALA A 68 -4.514 -2.619 9.732 1.00 0.00 C ATOM 1058 O ALA A 68 -3.688 -3.405 9.314 1.00 0.00 O ATOM 1059 CB ALA A 68 -4.008 -0.196 9.529 1.00 0.00 C ATOM 0 H ALA A 68 -6.462 -0.069 9.546 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.660 -1.488 7.906 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.951 -0.426 9.393 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.249 0.727 9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.219 -0.074 10.591 1.00 0.00 H new ATOM 1065 N SER A 69 -5.138 -2.824 10.853 1.00 0.00 N ATOM 1066 CA SER A 69 -4.854 -4.036 11.662 1.00 0.00 C ATOM 1067 C SER A 69 -5.007 -5.282 10.796 1.00 0.00 C ATOM 1068 O SER A 69 -4.067 -6.020 10.561 1.00 0.00 O ATOM 1069 CB SER A 69 -5.850 -4.103 12.825 1.00 0.00 C ATOM 1070 OG SER A 69 -5.297 -4.894 13.868 1.00 0.00 O ATOM 0 H SER A 69 -5.840 -2.198 11.248 1.00 0.00 H new ATOM 0 HA SER A 69 -3.835 -3.988 12.045 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.069 -3.100 13.190 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.793 -4.532 12.488 1.00 0.00 H new ATOM 0 HG SER A 69 -5.930 -4.939 14.615 1.00 0.00 H new ATOM 1076 N LEU A 70 -6.201 -5.534 10.334 1.00 0.00 N ATOM 1077 CA LEU A 70 -6.439 -6.747 9.508 1.00 0.00 C ATOM 1078 C LEU A 70 -6.165 -6.479 8.028 1.00 0.00 C ATOM 1079 O LEU A 70 -5.831 -7.394 7.303 1.00 0.00 O ATOM 1080 CB LEU A 70 -7.874 -7.237 9.705 1.00 0.00 C ATOM 1081 CG LEU A 70 -8.253 -7.124 11.182 1.00 0.00 C ATOM 1082 CD1 LEU A 70 -9.639 -7.731 11.399 1.00 0.00 C ATOM 1083 CD2 LEU A 70 -7.226 -7.876 12.030 1.00 0.00 C ATOM 0 H LEU A 70 -7.022 -4.950 10.494 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.746 -7.522 9.836 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.558 -6.646 9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.965 -8.271 9.373 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.267 -6.074 11.476 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.910 -7.651 12.452 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.370 -7.195 10.794 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.626 -8.781 11.106 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.495 -7.796 13.083 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.212 -8.926 11.738 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.238 -7.443 11.874 1.00 0.00 H new ATOM 1095 N HIS A 71 -6.321 -5.287 7.535 1.00 0.00 N ATOM 1096 CA HIS A 71 -6.069 -5.100 6.076 1.00 0.00 C ATOM 1097 C HIS A 71 -4.677 -5.685 5.750 1.00 0.00 C ATOM 1098 O HIS A 71 -4.457 -6.429 4.785 1.00 0.00 O ATOM 1099 CB HIS A 71 -6.124 -3.600 5.742 1.00 0.00 C ATOM 1100 CG HIS A 71 -5.446 -3.320 4.425 1.00 0.00 C ATOM 1101 ND1 HIS A 71 -5.182 -4.316 3.498 1.00 0.00 N ATOM 1102 CD2 HIS A 71 -4.966 -2.158 3.874 1.00 0.00 C ATOM 1103 CE1 HIS A 71 -4.567 -3.738 2.448 1.00 0.00 C ATOM 1104 NE2 HIS A 71 -4.410 -2.425 2.628 1.00 0.00 N ATOM 0 H HIS A 71 -6.603 -4.456 8.055 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.825 -5.612 5.480 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.162 -3.270 5.699 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.640 -3.028 6.534 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.013 -1.184 4.338 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.241 -4.272 1.568 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -3.975 -1.760 1.988 1.00 0.00 H new ATOM 1112 N HIS A 72 -3.722 -5.345 6.581 1.00 0.00 N ATOM 1113 CA HIS A 72 -2.353 -5.850 6.363 1.00 0.00 C ATOM 1114 C HIS A 72 -2.344 -7.345 6.652 1.00 0.00 C ATOM 1115 O HIS A 72 -1.728 -8.088 5.922 1.00 0.00 O ATOM 1116 CB HIS A 72 -1.354 -5.111 7.256 1.00 0.00 C ATOM 1117 CG HIS A 72 0.043 -5.549 6.919 1.00 0.00 C ATOM 1118 ND1 HIS A 72 0.683 -5.150 5.757 1.00 0.00 N ATOM 1119 CD2 HIS A 72 0.937 -6.352 7.583 1.00 0.00 C ATOM 1120 CE1 HIS A 72 1.907 -5.709 5.756 1.00 0.00 C ATOM 1121 NE2 HIS A 72 2.113 -6.451 6.847 1.00 0.00 N ATOM 0 H HIS A 72 -3.841 -4.741 7.395 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.051 -5.674 5.330 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.452 -4.035 7.116 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.567 -5.316 8.305 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.755 -6.834 8.532 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.634 -5.574 4.969 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.953 -6.977 7.089 1.00 0.00 H new ATOM 1129 N GLN A 73 -3.026 -7.808 7.702 1.00 0.00 N ATOM 1130 CA GLN A 73 -3.037 -9.291 7.982 1.00 0.00 C ATOM 1131 C GLN A 73 -3.108 -10.013 6.642 1.00 0.00 C ATOM 1132 O GLN A 73 -2.377 -10.948 6.391 1.00 0.00 O ATOM 1133 CB GLN A 73 -4.233 -9.712 8.843 1.00 0.00 C ATOM 1134 CG GLN A 73 -3.977 -9.322 10.302 1.00 0.00 C ATOM 1135 CD GLN A 73 -2.934 -10.262 10.909 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -2.671 -11.322 10.377 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -2.324 -9.916 12.010 1.00 0.00 N ATOM 0 H GLN A 73 -3.559 -7.234 8.355 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.134 -9.549 8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.142 -9.231 8.481 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.389 -10.788 8.765 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.628 -8.291 10.357 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.905 -9.376 10.871 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.544 -9.026 12.457 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.627 -10.536 12.423 1.00 0.00 H new ATOM 1146 N GLN A 74 -3.973 -9.566 5.754 1.00 0.00 N ATOM 1147 CA GLN A 74 -4.039 -10.222 4.424 1.00 0.00 C ATOM 1148 C GLN A 74 -2.606 -10.224 3.908 1.00 0.00 C ATOM 1149 O GLN A 74 -1.880 -11.188 4.041 1.00 0.00 O ATOM 1150 CB GLN A 74 -4.914 -9.389 3.485 1.00 0.00 C ATOM 1151 CG GLN A 74 -6.364 -9.428 3.970 1.00 0.00 C ATOM 1152 CD GLN A 74 -7.269 -8.764 2.931 1.00 0.00 C ATOM 1153 OE1 GLN A 74 -7.855 -9.433 2.103 1.00 0.00 O ATOM 1154 NE2 GLN A 74 -7.407 -7.467 2.939 1.00 0.00 N ATOM 0 H GLN A 74 -4.620 -8.790 5.898 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.460 -11.226 4.482 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -4.557 -8.360 3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.849 -9.778 2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.676 -10.460 4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.452 -8.913 4.927 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.915 -6.906 3.634 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.007 -7.014 2.250 1.00 0.00 H new ATOM 1163 N LEU A 75 -2.169 -9.068 3.423 1.00 0.00 N ATOM 1164 CA LEU A 75 -0.743 -8.879 2.991 1.00 0.00 C ATOM 1165 C LEU A 75 0.204 -9.581 3.959 1.00 0.00 C ATOM 1166 O LEU A 75 0.858 -10.528 3.577 1.00 0.00 O ATOM 1167 CB LEU A 75 -0.466 -7.362 3.014 1.00 0.00 C ATOM 1168 CG LEU A 75 0.819 -6.999 2.234 1.00 0.00 C ATOM 1169 CD1 LEU A 75 2.044 -7.633 2.917 1.00 0.00 C ATOM 1170 CD2 LEU A 75 0.724 -7.461 0.759 1.00 0.00 C ATOM 0 H LEU A 75 -2.755 -8.241 3.310 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.585 -9.300 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.315 -6.831 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.371 -7.026 4.047 1.00 0.00 H new ATOM 0 HG LEU A 75 0.930 -5.915 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.945 -7.373 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.126 -7.259 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.930 -8.717 2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.641 -7.193 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.589 -8.542 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.125 -6.974 0.279 1.00 0.00 H new ATOM 1182 N ASP A 76 0.287 -9.126 5.190 1.00 0.00 N ATOM 1183 CA ASP A 76 1.195 -9.757 6.214 1.00 0.00 C ATOM 1184 C ASP A 76 1.579 -11.181 5.817 1.00 0.00 C ATOM 1185 O ASP A 76 2.719 -11.504 5.532 1.00 0.00 O ATOM 1186 CB ASP A 76 0.411 -9.848 7.527 1.00 0.00 C ATOM 1187 CG ASP A 76 1.365 -10.221 8.665 1.00 0.00 C ATOM 1188 OD1 ASP A 76 2.474 -9.714 8.672 1.00 0.00 O ATOM 1189 OD2 ASP A 76 0.969 -11.009 9.509 1.00 0.00 O ATOM 0 H ASP A 76 -0.246 -8.328 5.537 1.00 0.00 H new ATOM 0 HA ASP A 76 2.100 -9.156 6.300 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.073 -8.895 7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.379 -10.594 7.441 1.00 0.00 H new ATOM 1194 N SER A 77 0.588 -12.027 5.805 1.00 0.00 N ATOM 1195 CA SER A 77 0.787 -13.445 5.449 1.00 0.00 C ATOM 1196 C SER A 77 0.766 -13.624 3.936 1.00 0.00 C ATOM 1197 O SER A 77 1.388 -14.527 3.418 1.00 0.00 O ATOM 1198 CB SER A 77 -0.357 -14.255 6.038 1.00 0.00 C ATOM 1199 OG SER A 77 -0.242 -14.276 7.456 1.00 0.00 O ATOM 0 H SER A 77 -0.375 -11.781 6.034 1.00 0.00 H new ATOM 0 HA SER A 77 1.750 -13.777 5.838 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.313 -13.820 5.746 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.337 -15.272 5.646 1.00 0.00 H new ATOM 0 HG SER A 77 -0.980 -14.797 7.836 1.00 0.00 H new ATOM 1205 N LEU A 78 0.043 -12.801 3.209 1.00 0.00 N ATOM 1206 CA LEU A 78 0.004 -12.992 1.736 1.00 0.00 C ATOM 1207 C LEU A 78 1.442 -13.097 1.250 1.00 0.00 C ATOM 1208 O LEU A 78 1.838 -14.071 0.641 1.00 0.00 O ATOM 1209 CB LEU A 78 -0.725 -11.806 1.077 1.00 0.00 C ATOM 1210 CG LEU A 78 -1.629 -12.300 -0.049 1.00 0.00 C ATOM 1211 CD1 LEU A 78 -2.590 -11.176 -0.466 1.00 0.00 C ATOM 1212 CD2 LEU A 78 -0.777 -12.723 -1.249 1.00 0.00 C ATOM 0 H LEU A 78 -0.509 -12.023 3.570 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.540 -13.898 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.318 -11.275 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.003 -11.096 0.684 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.205 -13.157 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.236 -11.529 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.201 -10.884 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.016 -10.316 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.427 -13.075 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.196 -11.871 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.101 -13.525 -0.951 1.00 0.00 H new ATOM 1224 N ILE A 79 2.250 -12.129 1.596 1.00 0.00 N ATOM 1225 CA ILE A 79 3.682 -12.183 1.257 1.00 0.00 C ATOM 1226 C ILE A 79 4.215 -13.508 1.793 1.00 0.00 C ATOM 1227 O ILE A 79 4.748 -14.312 1.055 1.00 0.00 O ATOM 1228 CB ILE A 79 4.359 -10.983 1.973 1.00 0.00 C ATOM 1229 CG1 ILE A 79 4.373 -9.746 1.047 1.00 0.00 C ATOM 1230 CG2 ILE A 79 5.792 -11.313 2.411 1.00 0.00 C ATOM 1231 CD1 ILE A 79 5.177 -10.006 -0.240 1.00 0.00 C ATOM 0 H ILE A 79 1.963 -11.294 2.107 1.00 0.00 H new ATOM 0 HA ILE A 79 3.874 -12.122 0.186 1.00 0.00 H new ATOM 0 HB ILE A 79 3.774 -10.767 2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.350 -9.474 0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.803 -8.898 1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.229 -10.447 2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.776 -12.157 3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.390 -11.570 1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.163 -9.113 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.207 -10.252 0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.731 -10.837 -0.786 1.00 0.00 H new ATOM 1243 N SER A 80 4.081 -13.744 3.073 1.00 0.00 N ATOM 1244 CA SER A 80 4.591 -15.021 3.631 1.00 0.00 C ATOM 1245 C SER A 80 4.104 -16.181 2.766 1.00 0.00 C ATOM 1246 O SER A 80 4.861 -17.071 2.418 1.00 0.00 O ATOM 1247 CB SER A 80 4.078 -15.208 5.059 1.00 0.00 C ATOM 1248 OG SER A 80 2.759 -15.733 5.016 1.00 0.00 O ATOM 0 H SER A 80 3.645 -13.113 3.745 1.00 0.00 H new ATOM 0 HA SER A 80 5.681 -14.997 3.640 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.734 -15.884 5.608 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.086 -14.255 5.589 1.00 0.00 H new ATOM 0 HG SER A 80 2.202 -15.171 4.438 1.00 0.00 H new ATOM 1254 N GLU A 81 2.842 -16.207 2.433 1.00 0.00 N ATOM 1255 CA GLU A 81 2.331 -17.337 1.629 1.00 0.00 C ATOM 1256 C GLU A 81 2.801 -17.250 0.178 1.00 0.00 C ATOM 1257 O GLU A 81 2.953 -18.266 -0.473 1.00 0.00 O ATOM 1258 CB GLU A 81 0.802 -17.323 1.662 1.00 0.00 C ATOM 1259 CG GLU A 81 0.262 -18.539 0.907 1.00 0.00 C ATOM 1260 CD GLU A 81 -1.258 -18.610 1.072 1.00 0.00 C ATOM 1261 OE1 GLU A 81 -1.734 -18.265 2.141 1.00 0.00 O ATOM 1262 OE2 GLU A 81 -1.919 -19.009 0.128 1.00 0.00 O ATOM 0 H GLU A 81 2.153 -15.498 2.684 1.00 0.00 H new ATOM 0 HA GLU A 81 2.717 -18.262 2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.450 -17.337 2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.427 -16.405 1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.521 -18.468 -0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.723 -19.451 1.288 1.00 0.00 H new ATOM 1269 N ALA A 82 2.980 -16.073 -0.387 1.00 0.00 N ATOM 1270 CA ALA A 82 3.368 -16.055 -1.832 1.00 0.00 C ATOM 1271 C ALA A 82 4.846 -16.404 -1.981 1.00 0.00 C ATOM 1272 O ALA A 82 5.229 -17.202 -2.803 1.00 0.00 O ATOM 1273 CB ALA A 82 3.118 -14.680 -2.451 1.00 0.00 C ATOM 0 H ALA A 82 2.879 -15.166 0.068 1.00 0.00 H new ATOM 0 HA ALA A 82 2.757 -16.793 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.409 -14.696 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.060 -14.432 -2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.707 -13.931 -1.923 1.00 0.00 H new ATOM 1279 N GLU A 83 5.694 -15.774 -1.195 1.00 0.00 N ATOM 1280 CA GLU A 83 7.152 -16.047 -1.328 1.00 0.00 C ATOM 1281 C GLU A 83 7.352 -17.550 -1.253 1.00 0.00 C ATOM 1282 O GLU A 83 8.169 -18.120 -1.949 1.00 0.00 O ATOM 1283 CB GLU A 83 7.955 -15.325 -0.238 1.00 0.00 C ATOM 1284 CG GLU A 83 7.518 -15.812 1.148 1.00 0.00 C ATOM 1285 CD GLU A 83 8.181 -17.156 1.461 1.00 0.00 C ATOM 1286 OE1 GLU A 83 9.384 -17.256 1.287 1.00 0.00 O ATOM 1287 OE2 GLU A 83 7.473 -18.063 1.870 1.00 0.00 O ATOM 0 H GLU A 83 5.438 -15.094 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 83 7.516 -15.669 -2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.020 -15.510 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.805 -14.248 -0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.792 -15.077 1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.433 -15.915 1.182 1.00 0.00 H new ATOM 1294 N THR A 84 6.565 -18.202 -0.447 1.00 0.00 N ATOM 1295 CA THR A 84 6.658 -19.674 -0.366 1.00 0.00 C ATOM 1296 C THR A 84 6.420 -20.216 -1.785 1.00 0.00 C ATOM 1297 O THR A 84 7.142 -21.059 -2.280 1.00 0.00 O ATOM 1298 CB THR A 84 5.556 -20.173 0.604 1.00 0.00 C ATOM 1299 OG1 THR A 84 4.872 -19.050 1.137 1.00 0.00 O ATOM 1300 CG2 THR A 84 6.168 -20.978 1.759 1.00 0.00 C ATOM 0 H THR A 84 5.863 -17.775 0.157 1.00 0.00 H new ATOM 0 HA THR A 84 7.627 -20.010 0.002 1.00 0.00 H new ATOM 0 HB THR A 84 4.870 -20.817 0.054 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.456 -18.580 1.768 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.376 -21.317 2.426 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.700 -21.841 1.359 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.864 -20.348 2.313 1.00 0.00 H new ATOM 1308 N ARG A 85 5.381 -19.734 -2.423 1.00 0.00 N ATOM 1309 CA ARG A 85 5.031 -20.197 -3.797 1.00 0.00 C ATOM 1310 C ARG A 85 6.293 -20.347 -4.657 1.00 0.00 C ATOM 1311 O ARG A 85 6.372 -21.210 -5.509 1.00 0.00 O ATOM 1312 CB ARG A 85 4.037 -19.178 -4.426 1.00 0.00 C ATOM 1313 CG ARG A 85 4.735 -18.189 -5.392 1.00 0.00 C ATOM 1314 CD ARG A 85 5.032 -18.851 -6.765 1.00 0.00 C ATOM 1315 NE ARG A 85 4.578 -20.272 -6.781 1.00 0.00 N ATOM 1316 CZ ARG A 85 4.441 -20.901 -7.916 1.00 0.00 C ATOM 1317 NH1 ARG A 85 4.700 -20.288 -9.038 1.00 0.00 N ATOM 1318 NH2 ARG A 85 4.045 -22.144 -7.929 1.00 0.00 N ATOM 0 H ARG A 85 4.752 -19.028 -2.041 1.00 0.00 H new ATOM 0 HA ARG A 85 4.558 -21.178 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.259 -19.719 -4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.544 -18.618 -3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.103 -17.313 -5.538 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.666 -17.839 -4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.530 -18.296 -7.557 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.101 -18.804 -6.972 1.00 0.00 H new ATOM 0 HE ARG A 85 4.375 -20.752 -5.904 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.010 -19.316 -9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.593 -20.780 -9.925 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.843 -22.624 -7.052 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.938 -22.636 -8.816 1.00 0.00 H new ATOM 1332 N GLY A 86 7.287 -19.512 -4.446 1.00 0.00 N ATOM 1333 CA GLY A 86 8.539 -19.601 -5.258 1.00 0.00 C ATOM 1334 C GLY A 86 9.044 -18.184 -5.587 1.00 0.00 C ATOM 1335 O GLY A 86 10.028 -17.730 -5.041 1.00 0.00 O ATOM 0 H GLY A 86 7.281 -18.772 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.302 -20.151 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.349 -20.153 -6.178 1.00 0.00 H new ATOM 1339 N ILE A 87 8.399 -17.514 -6.516 1.00 0.00 N ATOM 1340 CA ILE A 87 8.834 -16.146 -6.953 1.00 0.00 C ATOM 1341 C ILE A 87 10.204 -16.259 -7.632 1.00 0.00 C ATOM 1342 O ILE A 87 10.673 -17.344 -7.896 1.00 0.00 O ATOM 1343 CB ILE A 87 8.886 -15.176 -5.751 1.00 0.00 C ATOM 1344 CG1 ILE A 87 7.546 -15.225 -5.003 1.00 0.00 C ATOM 1345 CG2 ILE A 87 9.156 -13.726 -6.222 1.00 0.00 C ATOM 1346 CD1 ILE A 87 6.378 -14.980 -5.967 1.00 0.00 C ATOM 0 H ILE A 87 7.572 -17.866 -6.999 1.00 0.00 H new ATOM 0 HA ILE A 87 8.112 -15.741 -7.662 1.00 0.00 H new ATOM 0 HB ILE A 87 9.698 -15.483 -5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.428 -16.195 -4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 87 7.537 -14.473 -4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.188 -13.063 -5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.111 -13.686 -6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.359 -13.408 -6.894 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.438 -15.019 -5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.488 -13.999 -6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.378 -15.748 -6.741 1.00 0.00 H new ATOM 1358 N THR A 88 10.812 -15.143 -7.946 1.00 0.00 N ATOM 1359 CA THR A 88 12.145 -15.155 -8.633 1.00 0.00 C ATOM 1360 C THR A 88 13.149 -15.935 -7.776 1.00 0.00 C ATOM 1361 O THR A 88 14.133 -15.397 -7.306 1.00 0.00 O ATOM 1362 CB THR A 88 12.639 -13.717 -8.816 1.00 0.00 C ATOM 1363 OG1 THR A 88 11.597 -12.928 -9.372 1.00 0.00 O ATOM 1364 CG2 THR A 88 13.847 -13.704 -9.754 1.00 0.00 C ATOM 0 H THR A 88 10.440 -14.213 -7.755 1.00 0.00 H new ATOM 0 HA THR A 88 12.049 -15.631 -9.609 1.00 0.00 H new ATOM 0 HB THR A 88 12.930 -13.307 -7.849 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.911 -12.007 -9.488 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.197 -12.680 -9.883 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.646 -14.309 -9.326 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.560 -14.114 -10.722 1.00 0.00 H new ATOM 1372 N SER A 89 12.880 -17.191 -7.539 1.00 0.00 N ATOM 1373 CA SER A 89 13.769 -18.022 -6.679 1.00 0.00 C ATOM 1374 C SER A 89 14.091 -17.223 -5.420 1.00 0.00 C ATOM 1375 O SER A 89 15.047 -17.494 -4.728 1.00 0.00 O ATOM 1376 CB SER A 89 15.047 -18.403 -7.426 1.00 0.00 C ATOM 1377 OG SER A 89 14.708 -18.908 -8.710 1.00 0.00 O ATOM 0 H SER A 89 12.068 -17.683 -7.912 1.00 0.00 H new ATOM 0 HA SER A 89 13.266 -18.951 -6.410 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.697 -17.534 -7.525 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.601 -19.153 -6.862 1.00 0.00 H new ATOM 0 HG SER A 89 15.526 -19.152 -9.192 1.00 0.00 H new ATOM 1383 N TYR A 90 13.253 -16.254 -5.137 1.00 0.00 N ATOM 1384 CA TYR A 90 13.398 -15.384 -3.931 1.00 0.00 C ATOM 1385 C TYR A 90 14.848 -14.924 -3.724 1.00 0.00 C ATOM 1386 O TYR A 90 15.755 -15.715 -3.571 1.00 0.00 O ATOM 1387 CB TYR A 90 12.895 -16.134 -2.699 1.00 0.00 C ATOM 1388 CG TYR A 90 13.580 -17.474 -2.590 1.00 0.00 C ATOM 1389 CD1 TYR A 90 14.806 -17.583 -1.923 1.00 0.00 C ATOM 1390 CD2 TYR A 90 12.988 -18.610 -3.155 1.00 0.00 C ATOM 1391 CE1 TYR A 90 15.440 -18.828 -1.821 1.00 0.00 C ATOM 1392 CE2 TYR A 90 13.622 -19.854 -3.054 1.00 0.00 C ATOM 1393 CZ TYR A 90 14.847 -19.963 -2.387 1.00 0.00 C ATOM 1394 OH TYR A 90 15.471 -21.190 -2.286 1.00 0.00 O ATOM 0 H TYR A 90 12.445 -16.025 -5.716 1.00 0.00 H new ATOM 0 HA TYR A 90 12.798 -14.488 -4.086 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.087 -15.545 -1.802 1.00 0.00 H new ATOM 0 HB3 TYR A 90 11.816 -16.273 -2.764 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.263 -16.707 -1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.042 -18.527 -3.669 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.386 -18.912 -1.306 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.165 -20.730 -3.491 1.00 0.00 H new ATOM 0 HH TYR A 90 14.926 -21.872 -2.731 1.00 0.00 H new ATOM 1404 N ASN A 91 15.071 -13.630 -3.714 1.00 0.00 N ATOM 1405 CA ASN A 91 16.457 -13.101 -3.527 1.00 0.00 C ATOM 1406 C ASN A 91 16.483 -11.892 -2.543 1.00 0.00 C ATOM 1407 O ASN A 91 17.157 -11.976 -1.536 1.00 0.00 O ATOM 1408 CB ASN A 91 17.038 -12.713 -4.921 1.00 0.00 C ATOM 1409 CG ASN A 91 18.082 -13.744 -5.381 1.00 0.00 C ATOM 1410 OD1 ASN A 91 17.898 -14.409 -6.381 1.00 0.00 O ATOM 1411 ND2 ASN A 91 19.175 -13.902 -4.686 1.00 0.00 N ATOM 0 H ASN A 91 14.350 -12.918 -3.828 1.00 0.00 H new ATOM 0 HA ASN A 91 17.078 -13.876 -3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 91 16.232 -12.653 -5.652 1.00 0.00 H new ATOM 0 HB3 ASN A 91 17.495 -11.725 -4.868 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.874 -14.583 -4.982 1.00 0.00 H new ATOM 0 HD22 ASN A 91 19.331 -13.344 -3.846 1.00 0.00 H new ATOM 1418 N PRO A 92 15.792 -10.784 -2.841 1.00 0.00 N ATOM 1419 CA PRO A 92 15.817 -9.596 -1.947 1.00 0.00 C ATOM 1420 C PRO A 92 14.815 -9.700 -0.794 1.00 0.00 C ATOM 1421 O PRO A 92 14.993 -9.069 0.228 1.00 0.00 O ATOM 1422 CB PRO A 92 15.396 -8.442 -2.867 1.00 0.00 C ATOM 1423 CG PRO A 92 14.571 -9.081 -4.009 1.00 0.00 C ATOM 1424 CD PRO A 92 14.950 -10.579 -4.054 1.00 0.00 C ATOM 0 HA PRO A 92 16.796 -9.477 -1.483 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.803 -7.706 -2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.268 -7.920 -3.261 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.503 -8.958 -3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.791 -8.598 -4.961 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.064 -11.214 -4.035 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.498 -10.823 -4.964 1.00 0.00 H new ATOM 1432 N LEU A 93 13.760 -10.454 -0.933 1.00 0.00 N ATOM 1433 CA LEU A 93 12.786 -10.520 0.198 1.00 0.00 C ATOM 1434 C LEU A 93 13.572 -10.868 1.446 1.00 0.00 C ATOM 1435 O LEU A 93 13.523 -10.156 2.409 1.00 0.00 O ATOM 1436 CB LEU A 93 11.694 -11.561 -0.079 1.00 0.00 C ATOM 1437 CG LEU A 93 11.369 -11.564 -1.588 1.00 0.00 C ATOM 1438 CD1 LEU A 93 12.187 -12.647 -2.300 1.00 0.00 C ATOM 1439 CD2 LEU A 93 9.872 -11.826 -1.808 1.00 0.00 C ATOM 0 H LEU A 93 13.531 -11.013 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 93 12.278 -9.564 0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.029 -12.550 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.799 -11.329 0.498 1.00 0.00 H new ATOM 0 HG LEU A 93 11.626 -10.588 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.951 -12.641 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.250 -12.449 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.943 -13.623 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.656 -11.826 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.606 -12.794 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.290 -11.044 -1.320 1.00 0.00 H new ATOM 1451 N ALA A 94 14.284 -11.970 1.380 1.00 0.00 N ATOM 1452 CA ALA A 94 15.143 -12.475 2.511 1.00 0.00 C ATOM 1453 C ALA A 94 15.231 -11.434 3.637 1.00 0.00 C ATOM 1454 O ALA A 94 14.884 -11.693 4.773 1.00 0.00 O ATOM 1455 CB ALA A 94 16.536 -12.751 1.947 1.00 0.00 C ATOM 0 H ALA A 94 14.307 -12.567 0.553 1.00 0.00 H new ATOM 0 HA ALA A 94 14.708 -13.382 2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 94 17.184 -13.119 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.467 -13.501 1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 94 16.951 -11.830 1.537 1.00 0.00 H new ATOM 1461 N GLY A 95 15.645 -10.243 3.301 1.00 0.00 N ATOM 1462 CA GLY A 95 15.708 -9.144 4.316 1.00 0.00 C ATOM 1463 C GLY A 95 14.265 -8.799 4.724 1.00 0.00 C ATOM 1464 O GLY A 95 13.380 -9.605 4.543 1.00 0.00 O ATOM 0 H GLY A 95 15.945 -9.979 2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.286 -9.459 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.208 -8.269 3.901 1.00 0.00 H new ATOM 1468 N PRO A 96 14.034 -7.625 5.266 1.00 0.00 N ATOM 1469 CA PRO A 96 12.660 -7.248 5.646 1.00 0.00 C ATOM 1470 C PRO A 96 11.864 -7.000 4.347 1.00 0.00 C ATOM 1471 O PRO A 96 12.424 -7.087 3.272 1.00 0.00 O ATOM 1472 CB PRO A 96 12.828 -5.971 6.495 1.00 0.00 C ATOM 1473 CG PRO A 96 14.339 -5.572 6.432 1.00 0.00 C ATOM 1474 CD PRO A 96 15.074 -6.637 5.577 1.00 0.00 C ATOM 0 HA PRO A 96 12.118 -8.005 6.213 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.201 -5.167 6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 96 12.520 -6.150 7.525 1.00 0.00 H new ATOM 0 HG2 PRO A 96 14.455 -4.582 5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.764 -5.527 7.435 1.00 0.00 H new ATOM 0 HD2 PRO A 96 15.493 -6.201 4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 96 15.901 -7.088 6.126 1.00 0.00 H new ATOM 1482 N LEU A 97 10.585 -6.697 4.392 1.00 0.00 N ATOM 1483 CA LEU A 97 9.846 -6.465 3.107 1.00 0.00 C ATOM 1484 C LEU A 97 10.113 -5.032 2.635 1.00 0.00 C ATOM 1485 O LEU A 97 10.608 -4.823 1.548 1.00 0.00 O ATOM 1486 CB LEU A 97 8.340 -6.678 3.309 1.00 0.00 C ATOM 1487 CG LEU A 97 8.070 -7.987 4.082 1.00 0.00 C ATOM 1488 CD1 LEU A 97 8.877 -9.133 3.456 1.00 0.00 C ATOM 1489 CD2 LEU A 97 8.440 -7.840 5.580 1.00 0.00 C ATOM 0 H LEU A 97 10.031 -6.602 5.243 1.00 0.00 H new ATOM 0 HA LEU A 97 10.194 -7.174 2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.919 -5.834 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.840 -6.712 2.341 1.00 0.00 H new ATOM 0 HG LEU A 97 7.005 -8.209 4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.684 -10.055 4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.580 -9.261 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.940 -8.898 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.239 -8.778 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.498 -7.595 5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.843 -7.044 6.026 1.00 0.00 H new ATOM 1501 N ARG A 98 9.770 -4.043 3.436 1.00 0.00 N ATOM 1502 CA ARG A 98 10.006 -2.607 3.046 1.00 0.00 C ATOM 1503 C ARG A 98 11.354 -2.496 2.302 1.00 0.00 C ATOM 1504 O ARG A 98 11.581 -1.620 1.496 1.00 0.00 O ATOM 1505 CB ARG A 98 10.045 -1.771 4.342 1.00 0.00 C ATOM 1506 CG ARG A 98 10.787 -0.448 4.114 1.00 0.00 C ATOM 1507 CD ARG A 98 10.442 0.543 5.230 1.00 0.00 C ATOM 1508 NE ARG A 98 10.921 0.007 6.534 1.00 0.00 N ATOM 1509 CZ ARG A 98 11.006 0.793 7.571 1.00 0.00 C ATOM 1510 NH1 ARG A 98 10.672 2.050 7.465 1.00 0.00 N ATOM 1511 NH2 ARG A 98 11.425 0.323 8.714 1.00 0.00 N ATOM 0 H ARG A 98 9.334 -4.170 4.349 1.00 0.00 H new ATOM 0 HA ARG A 98 9.215 -2.245 2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.029 -1.570 4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.538 -2.338 5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.863 -0.624 4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.512 -0.029 3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.905 1.509 5.029 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.365 0.707 5.265 1.00 0.00 H new ATOM 0 HE ARG A 98 11.183 -0.975 6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.345 2.417 6.571 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.738 2.665 8.276 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.686 -0.660 8.796 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.491 0.938 9.525 1.00 0.00 H new ATOM 1525 N VAL A 99 12.212 -3.433 2.578 1.00 0.00 N ATOM 1526 CA VAL A 99 13.549 -3.499 1.923 1.00 0.00 C ATOM 1527 C VAL A 99 13.392 -4.156 0.543 1.00 0.00 C ATOM 1528 O VAL A 99 13.960 -3.709 -0.434 1.00 0.00 O ATOM 1529 CB VAL A 99 14.504 -4.330 2.823 1.00 0.00 C ATOM 1530 CG1 VAL A 99 15.518 -5.121 1.976 1.00 0.00 C ATOM 1531 CG2 VAL A 99 15.276 -3.387 3.760 1.00 0.00 C ATOM 0 H VAL A 99 12.038 -4.180 3.251 1.00 0.00 H new ATOM 0 HA VAL A 99 13.967 -2.501 1.792 1.00 0.00 H new ATOM 0 HB VAL A 99 13.900 -5.032 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.173 -5.693 2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.985 -5.802 1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.115 -4.429 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.946 -3.970 4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 99 15.858 -2.682 3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 99 14.572 -2.840 4.386 1.00 0.00 H new ATOM 1541 N GLN A 100 12.653 -5.220 0.462 1.00 0.00 N ATOM 1542 CA GLN A 100 12.491 -5.910 -0.844 1.00 0.00 C ATOM 1543 C GLN A 100 12.163 -4.905 -1.959 1.00 0.00 C ATOM 1544 O GLN A 100 12.771 -4.929 -3.011 1.00 0.00 O ATOM 1545 CB GLN A 100 11.397 -7.003 -0.733 1.00 0.00 C ATOM 1546 CG GLN A 100 10.004 -6.456 -1.087 1.00 0.00 C ATOM 1547 CD GLN A 100 8.947 -7.513 -0.759 1.00 0.00 C ATOM 1548 OE1 GLN A 100 8.750 -7.855 0.389 1.00 0.00 O ATOM 1549 NE2 GLN A 100 8.254 -8.048 -1.727 1.00 0.00 N ATOM 0 H GLN A 100 12.153 -5.644 1.243 1.00 0.00 H new ATOM 0 HA GLN A 100 13.433 -6.391 -1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.642 -7.831 -1.398 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.384 -7.402 0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.807 -5.542 -0.527 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.960 -6.198 -2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.419 -7.761 -2.692 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.547 -8.753 -1.519 1.00 0.00 H new ATOM 1558 N ALA A 101 11.187 -4.046 -1.769 1.00 0.00 N ATOM 1559 CA ALA A 101 10.820 -3.085 -2.867 1.00 0.00 C ATOM 1560 C ALA A 101 11.630 -1.787 -2.776 1.00 0.00 C ATOM 1561 O ALA A 101 11.944 -1.191 -3.787 1.00 0.00 O ATOM 1562 CB ALA A 101 9.327 -2.772 -2.803 1.00 0.00 C ATOM 0 H ALA A 101 10.635 -3.967 -0.915 1.00 0.00 H new ATOM 0 HA ALA A 101 11.056 -3.559 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.067 -2.076 -3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.757 -3.693 -2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.090 -2.324 -1.838 1.00 0.00 H new ATOM 1568 N ASN A 102 11.981 -1.333 -1.610 1.00 0.00 N ATOM 1569 CA ASN A 102 12.780 -0.074 -1.534 1.00 0.00 C ATOM 1570 C ASN A 102 14.172 -0.343 -2.114 1.00 0.00 C ATOM 1571 O ASN A 102 15.166 0.124 -1.593 1.00 0.00 O ATOM 1572 CB ASN A 102 12.928 0.372 -0.079 1.00 0.00 C ATOM 1573 CG ASN A 102 11.565 0.791 0.470 1.00 0.00 C ATOM 1574 OD1 ASN A 102 11.479 1.364 1.538 1.00 0.00 O ATOM 1575 ND2 ASN A 102 10.489 0.531 -0.221 1.00 0.00 N ATOM 0 H ASN A 102 11.756 -1.768 -0.715 1.00 0.00 H new ATOM 0 HA ASN A 102 12.273 0.710 -2.097 1.00 0.00 H new ATOM 0 HB2 ASN A 102 13.339 -0.440 0.521 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.629 1.204 -0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 102 9.575 0.809 0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.562 0.050 -1.117 1.00 0.00 H new ATOM 1582 N ASN A 103 14.253 -1.110 -3.181 1.00 0.00 N ATOM 1583 CA ASN A 103 15.577 -1.437 -3.799 1.00 0.00 C ATOM 1584 C ASN A 103 15.604 -0.956 -5.272 1.00 0.00 C ATOM 1585 O ASN A 103 14.898 -1.517 -6.088 1.00 0.00 O ATOM 1586 CB ASN A 103 15.752 -2.958 -3.786 1.00 0.00 C ATOM 1587 CG ASN A 103 17.104 -3.322 -4.401 1.00 0.00 C ATOM 1588 OD1 ASN A 103 17.929 -2.462 -4.636 1.00 0.00 O ATOM 1589 ND2 ASN A 103 17.368 -4.570 -4.674 1.00 0.00 N ATOM 0 H ASN A 103 13.449 -1.525 -3.652 1.00 0.00 H new ATOM 0 HA ASN A 103 16.373 -0.946 -3.239 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.693 -3.333 -2.764 1.00 0.00 H new ATOM 0 HB3 ASN A 103 14.946 -3.432 -4.346 1.00 0.00 H new ATOM 0 HD21 ASN A 103 18.267 -4.823 -5.085 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.676 -5.293 -4.477 1.00 0.00 H new ATOM 1596 N PRO A 104 16.410 0.046 -5.603 1.00 0.00 N ATOM 1597 CA PRO A 104 16.490 0.534 -7.000 1.00 0.00 C ATOM 1598 C PRO A 104 16.861 -0.615 -7.947 1.00 0.00 C ATOM 1599 O PRO A 104 16.609 -0.554 -9.134 1.00 0.00 O ATOM 1600 CB PRO A 104 17.598 1.617 -6.980 1.00 0.00 C ATOM 1601 CG PRO A 104 17.970 1.872 -5.494 1.00 0.00 C ATOM 1602 CD PRO A 104 17.295 0.767 -4.655 1.00 0.00 C ATOM 0 HA PRO A 104 15.540 0.933 -7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 104 18.470 1.284 -7.543 1.00 0.00 H new ATOM 0 HB3 PRO A 104 17.246 2.535 -7.451 1.00 0.00 H new ATOM 0 HG2 PRO A 104 19.051 1.850 -5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 104 17.629 2.858 -5.176 1.00 0.00 H new ATOM 0 HD2 PRO A 104 18.035 0.096 -4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 104 16.725 1.192 -3.829 1.00 0.00 H new ATOM 1610 N GLN A 105 17.471 -1.652 -7.443 1.00 0.00 N ATOM 1611 CA GLN A 105 17.868 -2.783 -8.331 1.00 0.00 C ATOM 1612 C GLN A 105 16.688 -3.739 -8.547 1.00 0.00 C ATOM 1613 O GLN A 105 16.027 -3.697 -9.565 1.00 0.00 O ATOM 1614 CB GLN A 105 19.035 -3.539 -7.695 1.00 0.00 C ATOM 1615 CG GLN A 105 20.190 -2.568 -7.441 1.00 0.00 C ATOM 1616 CD GLN A 105 20.734 -2.064 -8.779 1.00 0.00 C ATOM 1617 OE1 GLN A 105 20.189 -1.149 -9.364 1.00 0.00 O ATOM 1618 NE2 GLN A 105 21.794 -2.626 -9.292 1.00 0.00 N ATOM 0 H GLN A 105 17.711 -1.766 -6.458 1.00 0.00 H new ATOM 0 HA GLN A 105 18.171 -2.383 -9.299 1.00 0.00 H new ATOM 0 HB2 GLN A 105 18.718 -3.998 -6.758 1.00 0.00 H new ATOM 0 HB3 GLN A 105 19.361 -4.346 -8.351 1.00 0.00 H new ATOM 0 HG2 GLN A 105 19.848 -1.729 -6.836 1.00 0.00 H new ATOM 0 HG3 GLN A 105 20.980 -3.065 -6.879 1.00 0.00 H new ATOM 0 HE21 GLN A 105 22.252 -3.394 -8.801 1.00 0.00 H new ATOM 0 HE22 GLN A 105 22.165 -2.297 -10.184 1.00 0.00 H new ATOM 1627 N GLN A 106 16.432 -4.615 -7.615 1.00 0.00 N ATOM 1628 CA GLN A 106 15.311 -5.586 -7.793 1.00 0.00 C ATOM 1629 C GLN A 106 13.959 -4.892 -7.595 1.00 0.00 C ATOM 1630 O GLN A 106 13.338 -5.004 -6.557 1.00 0.00 O ATOM 1631 CB GLN A 106 15.457 -6.718 -6.776 1.00 0.00 C ATOM 1632 CG GLN A 106 16.873 -7.297 -6.851 1.00 0.00 C ATOM 1633 CD GLN A 106 17.094 -7.932 -8.225 1.00 0.00 C ATOM 1634 OE1 GLN A 106 16.339 -8.790 -8.639 1.00 0.00 O ATOM 1635 NE2 GLN A 106 18.105 -7.546 -8.956 1.00 0.00 N ATOM 0 H GLN A 106 16.948 -4.702 -6.739 1.00 0.00 H new ATOM 0 HA GLN A 106 15.351 -5.988 -8.806 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.258 -6.345 -5.771 1.00 0.00 H new ATOM 0 HB3 GLN A 106 14.723 -7.498 -6.977 1.00 0.00 H new ATOM 0 HG2 GLN A 106 17.608 -6.511 -6.680 1.00 0.00 H new ATOM 0 HG3 GLN A 106 17.015 -8.042 -6.068 1.00 0.00 H new ATOM 0 HE21 GLN A 106 18.739 -6.826 -8.610 1.00 0.00 H new ATOM 0 HE22 GLN A 106 18.260 -7.964 -9.873 1.00 0.00 H new ATOM 1644 N GLN A 107 13.496 -4.178 -8.589 1.00 0.00 N ATOM 1645 CA GLN A 107 12.180 -3.479 -8.469 1.00 0.00 C ATOM 1646 C GLN A 107 11.056 -4.395 -8.976 1.00 0.00 C ATOM 1647 O GLN A 107 9.891 -4.113 -8.789 1.00 0.00 O ATOM 1648 CB GLN A 107 12.202 -2.199 -9.314 1.00 0.00 C ATOM 1649 CG GLN A 107 12.940 -2.467 -10.627 1.00 0.00 C ATOM 1650 CD GLN A 107 12.708 -1.301 -11.590 1.00 0.00 C ATOM 1651 OE1 GLN A 107 13.339 -0.269 -11.476 1.00 0.00 O ATOM 1652 NE2 GLN A 107 11.823 -1.422 -12.542 1.00 0.00 N ATOM 0 H GLN A 107 13.974 -4.048 -9.481 1.00 0.00 H new ATOM 0 HA GLN A 107 12.003 -3.229 -7.423 1.00 0.00 H new ATOM 0 HB2 GLN A 107 11.184 -1.868 -9.518 1.00 0.00 H new ATOM 0 HB3 GLN A 107 12.694 -1.396 -8.765 1.00 0.00 H new ATOM 0 HG2 GLN A 107 14.006 -2.590 -10.438 1.00 0.00 H new ATOM 0 HG3 GLN A 107 12.586 -3.397 -11.073 1.00 0.00 H new ATOM 0 HE21 GLN A 107 11.293 -2.288 -12.638 1.00 0.00 H new ATOM 0 HE22 GLN A 107 11.662 -0.651 -13.189 1.00 0.00 H new ATOM 1661 N GLY A 108 11.391 -5.493 -9.600 1.00 0.00 N ATOM 1662 CA GLY A 108 10.326 -6.415 -10.101 1.00 0.00 C ATOM 1663 C GLY A 108 9.422 -6.803 -8.933 1.00 0.00 C ATOM 1664 O GLY A 108 8.237 -7.020 -9.083 1.00 0.00 O ATOM 0 H GLY A 108 12.349 -5.791 -9.784 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.744 -5.929 -10.884 1.00 0.00 H new ATOM 0 HA3 GLY A 108 10.774 -7.305 -10.543 1.00 0.00 H new ATOM 1668 N LEU A 109 9.989 -6.891 -7.770 1.00 0.00 N ATOM 1669 CA LEU A 109 9.199 -7.259 -6.567 1.00 0.00 C ATOM 1670 C LEU A 109 8.470 -6.039 -6.023 1.00 0.00 C ATOM 1671 O LEU A 109 7.741 -6.144 -5.065 1.00 0.00 O ATOM 1672 CB LEU A 109 10.119 -7.820 -5.486 1.00 0.00 C ATOM 1673 CG LEU A 109 10.788 -9.124 -5.987 1.00 0.00 C ATOM 1674 CD1 LEU A 109 12.128 -8.800 -6.665 1.00 0.00 C ATOM 1675 CD2 LEU A 109 11.024 -10.070 -4.796 1.00 0.00 C ATOM 0 H LEU A 109 10.980 -6.722 -7.597 1.00 0.00 H new ATOM 0 HA LEU A 109 8.470 -8.018 -6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.882 -7.085 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.549 -8.019 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 109 10.133 -9.608 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 109 12.592 -9.723 -7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 109 11.956 -8.137 -7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 109 12.789 -8.310 -5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.495 -10.988 -5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.675 -9.584 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.070 -10.309 -4.326 1.00 0.00 H new ATOM 1687 N ARG A 110 8.626 -4.891 -6.632 1.00 0.00 N ATOM 1688 CA ARG A 110 7.891 -3.681 -6.144 1.00 0.00 C ATOM 1689 C ARG A 110 6.617 -3.520 -6.972 1.00 0.00 C ATOM 1690 O ARG A 110 5.597 -3.082 -6.471 1.00 0.00 O ATOM 1691 CB ARG A 110 8.761 -2.428 -6.250 1.00 0.00 C ATOM 1692 CG ARG A 110 7.943 -1.208 -5.784 1.00 0.00 C ATOM 1693 CD ARG A 110 8.863 -0.007 -5.441 1.00 0.00 C ATOM 1694 NE ARG A 110 8.521 0.520 -4.080 1.00 0.00 N ATOM 1695 CZ ARG A 110 7.280 0.755 -3.740 1.00 0.00 C ATOM 1696 NH1 ARG A 110 6.325 0.642 -4.621 1.00 0.00 N ATOM 1697 NH2 ARG A 110 6.999 1.122 -2.521 1.00 0.00 N ATOM 0 H ARG A 110 9.227 -4.738 -7.442 1.00 0.00 H new ATOM 0 HA ARG A 110 7.637 -3.812 -5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 110 9.656 -2.538 -5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.095 -2.287 -7.278 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.241 -0.919 -6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.352 -1.477 -4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.908 -0.317 -5.469 1.00 0.00 H new ATOM 0 HD3 ARG A 110 8.744 0.779 -6.186 1.00 0.00 H new ATOM 0 HE ARG A 110 9.268 0.698 -3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.545 0.369 -5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.359 0.826 -4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.746 1.225 -1.834 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.032 1.306 -2.254 1.00 0.00 H new ATOM 1711 N ARG A 111 6.629 -3.935 -8.204 1.00 0.00 N ATOM 1712 CA ARG A 111 5.376 -3.865 -9.011 1.00 0.00 C ATOM 1713 C ARG A 111 4.554 -5.109 -8.647 1.00 0.00 C ATOM 1714 O ARG A 111 3.336 -5.099 -8.692 1.00 0.00 O ATOM 1715 CB ARG A 111 5.682 -3.812 -10.528 1.00 0.00 C ATOM 1716 CG ARG A 111 7.095 -4.354 -10.826 1.00 0.00 C ATOM 1717 CD ARG A 111 8.136 -3.235 -10.699 1.00 0.00 C ATOM 1718 NE ARG A 111 7.802 -2.137 -11.650 1.00 0.00 N ATOM 1719 CZ ARG A 111 8.363 -0.966 -11.518 1.00 0.00 C ATOM 1720 NH1 ARG A 111 9.217 -0.756 -10.554 1.00 0.00 N ATOM 1721 NH2 ARG A 111 8.069 -0.005 -12.351 1.00 0.00 N ATOM 0 H ARG A 111 7.442 -4.317 -8.687 1.00 0.00 H new ATOM 0 HA ARG A 111 4.821 -2.954 -8.788 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.942 -4.398 -11.073 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.600 -2.785 -10.884 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.334 -5.162 -10.135 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.125 -4.775 -11.831 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.153 -2.854 -9.678 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.132 -3.624 -10.911 1.00 0.00 H new ATOM 0 HE ARG A 111 7.135 -2.301 -12.404 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.446 -1.507 -9.903 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.655 0.159 -10.451 1.00 0.00 H new ATOM 0 HH21 ARG A 111 7.401 -0.170 -13.104 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.507 0.910 -12.249 1.00 0.00 H new ATOM 1735 N GLU A 112 5.203 -6.158 -8.221 1.00 0.00 N ATOM 1736 CA GLU A 112 4.443 -7.362 -7.794 1.00 0.00 C ATOM 1737 C GLU A 112 3.841 -7.061 -6.423 1.00 0.00 C ATOM 1738 O GLU A 112 2.698 -7.366 -6.151 1.00 0.00 O ATOM 1739 CB GLU A 112 5.379 -8.569 -7.694 1.00 0.00 C ATOM 1740 CG GLU A 112 4.581 -9.798 -7.250 1.00 0.00 C ATOM 1741 CD GLU A 112 5.439 -11.053 -7.421 1.00 0.00 C ATOM 1742 OE1 GLU A 112 6.445 -11.157 -6.739 1.00 0.00 O ATOM 1743 OE2 GLU A 112 5.075 -11.889 -8.232 1.00 0.00 O ATOM 0 H GLU A 112 6.218 -6.232 -8.151 1.00 0.00 H new ATOM 0 HA GLU A 112 3.662 -7.596 -8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 112 5.851 -8.758 -8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.179 -8.365 -6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.278 -9.691 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 112 3.669 -9.885 -7.840 1.00 0.00 H new ATOM 1750 N TYR A 113 4.610 -6.440 -5.563 1.00 0.00 N ATOM 1751 CA TYR A 113 4.096 -6.084 -4.206 1.00 0.00 C ATOM 1752 C TYR A 113 2.708 -5.461 -4.371 1.00 0.00 C ATOM 1753 O TYR A 113 1.709 -6.016 -3.959 1.00 0.00 O ATOM 1754 CB TYR A 113 5.055 -5.061 -3.552 1.00 0.00 C ATOM 1755 CG TYR A 113 5.206 -5.331 -2.069 1.00 0.00 C ATOM 1756 CD1 TYR A 113 4.077 -5.573 -1.283 1.00 0.00 C ATOM 1757 CD2 TYR A 113 6.479 -5.329 -1.483 1.00 0.00 C ATOM 1758 CE1 TYR A 113 4.220 -5.815 0.087 1.00 0.00 C ATOM 1759 CE2 TYR A 113 6.621 -5.570 -0.114 1.00 0.00 C ATOM 1760 CZ TYR A 113 5.491 -5.813 0.672 1.00 0.00 C ATOM 1761 OH TYR A 113 5.628 -6.051 2.025 1.00 0.00 O ATOM 0 H TYR A 113 5.575 -6.164 -5.744 1.00 0.00 H new ATOM 0 HA TYR A 113 4.035 -6.969 -3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 113 6.031 -5.111 -4.036 1.00 0.00 H new ATOM 0 HB3 TYR A 113 4.675 -4.051 -3.705 1.00 0.00 H new ATOM 0 HD1 TYR A 113 3.095 -5.573 -1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 113 7.352 -5.141 -2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 113 3.347 -6.004 0.695 1.00 0.00 H new ATOM 0 HE2 TYR A 113 7.603 -5.569 0.336 1.00 0.00 H new ATOM 0 HH TYR A 113 4.756 -5.962 2.463 1.00 0.00 H new ATOM 1771 N GLN A 114 2.656 -4.299 -4.966 1.00 0.00 N ATOM 1772 CA GLN A 114 1.355 -3.601 -5.170 1.00 0.00 C ATOM 1773 C GLN A 114 0.281 -4.596 -5.610 1.00 0.00 C ATOM 1774 O GLN A 114 -0.846 -4.548 -5.161 1.00 0.00 O ATOM 1775 CB GLN A 114 1.526 -2.536 -6.254 1.00 0.00 C ATOM 1776 CG GLN A 114 2.663 -1.584 -5.869 1.00 0.00 C ATOM 1777 CD GLN A 114 2.943 -0.630 -7.031 1.00 0.00 C ATOM 1778 OE1 GLN A 114 3.714 0.299 -6.897 1.00 0.00 O ATOM 1779 NE2 GLN A 114 2.346 -0.822 -8.175 1.00 0.00 N ATOM 0 H GLN A 114 3.470 -3.799 -5.323 1.00 0.00 H new ATOM 0 HA GLN A 114 1.047 -3.140 -4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.744 -3.010 -7.211 1.00 0.00 H new ATOM 0 HB3 GLN A 114 0.598 -1.978 -6.378 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.392 -1.019 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 114 3.561 -2.152 -5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 114 1.699 -1.602 -8.288 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.527 -0.192 -8.957 1.00 0.00 H new ATOM 1788 N GLN A 115 0.620 -5.495 -6.488 1.00 0.00 N ATOM 1789 CA GLN A 115 -0.388 -6.487 -6.958 1.00 0.00 C ATOM 1790 C GLN A 115 -0.979 -7.221 -5.751 1.00 0.00 C ATOM 1791 O GLN A 115 -2.153 -7.532 -5.713 1.00 0.00 O ATOM 1792 CB GLN A 115 0.281 -7.497 -7.898 1.00 0.00 C ATOM 1793 CG GLN A 115 -0.791 -8.233 -8.704 1.00 0.00 C ATOM 1794 CD GLN A 115 -0.126 -9.226 -9.658 1.00 0.00 C ATOM 1795 OE1 GLN A 115 -0.448 -10.398 -9.655 1.00 0.00 O ATOM 1796 NE2 GLN A 115 0.796 -8.806 -10.481 1.00 0.00 N ATOM 0 H GLN A 115 1.548 -5.587 -6.901 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.183 -5.970 -7.495 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.968 -6.984 -8.571 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.871 -8.210 -7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -1.469 -8.758 -8.031 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.391 -7.518 -9.267 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.067 -7.823 -10.484 1.00 0.00 H new ATOM 0 HE22 GLN A 115 1.245 -9.461 -11.121 1.00 0.00 H new ATOM 1805 N LEU A 116 -0.172 -7.495 -4.763 1.00 0.00 N ATOM 1806 CA LEU A 116 -0.678 -8.206 -3.551 1.00 0.00 C ATOM 1807 C LEU A 116 -1.196 -7.180 -2.539 1.00 0.00 C ATOM 1808 O LEU A 116 -2.012 -7.481 -1.687 1.00 0.00 O ATOM 1809 CB LEU A 116 0.464 -9.007 -2.921 1.00 0.00 C ATOM 1810 CG LEU A 116 1.228 -9.764 -4.010 1.00 0.00 C ATOM 1811 CD1 LEU A 116 2.346 -10.587 -3.368 1.00 0.00 C ATOM 1812 CD2 LEU A 116 0.268 -10.699 -4.756 1.00 0.00 C ATOM 0 H LEU A 116 0.820 -7.257 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.486 -8.880 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.139 -8.338 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.067 -9.709 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 116 1.658 -9.051 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.891 -11.127 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.029 -9.922 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.915 -11.299 -2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.813 -11.237 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.164 -11.412 -4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.529 -10.113 -5.214 1.00 0.00 H new ATOM 1824 N TRP A 117 -0.746 -5.962 -2.644 1.00 0.00 N ATOM 1825 CA TRP A 117 -1.217 -4.910 -1.708 1.00 0.00 C ATOM 1826 C TRP A 117 -2.638 -4.494 -2.096 1.00 0.00 C ATOM 1827 O TRP A 117 -3.476 -4.238 -1.253 1.00 0.00 O ATOM 1828 CB TRP A 117 -0.280 -3.695 -1.805 1.00 0.00 C ATOM 1829 CG TRP A 117 -0.347 -2.898 -0.538 1.00 0.00 C ATOM 1830 CD1 TRP A 117 -1.384 -2.113 -0.169 1.00 0.00 C ATOM 1831 CD2 TRP A 117 0.640 -2.800 0.527 1.00 0.00 C ATOM 1832 NE1 TRP A 117 -1.097 -1.540 1.057 1.00 0.00 N ATOM 1833 CE2 TRP A 117 0.141 -1.933 1.527 1.00 0.00 C ATOM 1834 CE3 TRP A 117 1.908 -3.374 0.720 1.00 0.00 C ATOM 1835 CZ2 TRP A 117 0.874 -1.648 2.680 1.00 0.00 C ATOM 1836 CZ3 TRP A 117 2.650 -3.089 1.878 1.00 0.00 C ATOM 1837 CH2 TRP A 117 2.134 -2.227 2.856 1.00 0.00 C ATOM 0 H TRP A 117 -0.070 -5.650 -3.341 1.00 0.00 H new ATOM 0 HA TRP A 117 -1.215 -5.291 -0.687 1.00 0.00 H new ATOM 0 HB2 TRP A 117 0.743 -4.027 -1.983 1.00 0.00 H new ATOM 0 HB3 TRP A 117 -0.565 -3.072 -2.653 1.00 0.00 H new ATOM 0 HD1 TRP A 117 -2.289 -1.958 -0.738 1.00 0.00 H new ATOM 0 HE1 TRP A 117 -1.723 -0.905 1.553 1.00 0.00 H new ATOM 0 HE3 TRP A 117 2.315 -4.039 -0.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 0.471 -0.985 3.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 3.623 -3.536 2.016 1.00 0.00 H new ATOM 0 HH2 TRP A 117 2.709 -2.011 3.744 1.00 0.00 H new ATOM 1848 N LEU A 118 -2.927 -4.456 -3.367 1.00 0.00 N ATOM 1849 CA LEU A 118 -4.294 -4.081 -3.810 1.00 0.00 C ATOM 1850 C LEU A 118 -5.205 -5.293 -3.646 1.00 0.00 C ATOM 1851 O LEU A 118 -6.376 -5.159 -3.356 1.00 0.00 O ATOM 1852 CB LEU A 118 -4.259 -3.633 -5.275 1.00 0.00 C ATOM 1853 CG LEU A 118 -3.230 -2.502 -5.449 1.00 0.00 C ATOM 1854 CD1 LEU A 118 -2.888 -2.344 -6.932 1.00 0.00 C ATOM 1855 CD2 LEU A 118 -3.800 -1.179 -4.921 1.00 0.00 C ATOM 0 H LEU A 118 -2.271 -4.670 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.673 -3.255 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.999 -4.475 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -5.246 -3.290 -5.584 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.332 -2.756 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -2.159 -1.543 -7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.469 -3.276 -7.310 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -3.792 -2.100 -7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.062 -0.387 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.704 -0.926 -5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -4.039 -1.283 -3.863 1.00 0.00 H new ATOM 1867 N ALA A 119 -4.677 -6.480 -3.774 1.00 0.00 N ATOM 1868 CA ALA A 119 -5.534 -7.674 -3.562 1.00 0.00 C ATOM 1869 C ALA A 119 -5.877 -7.718 -2.074 1.00 0.00 C ATOM 1870 O ALA A 119 -6.833 -8.342 -1.659 1.00 0.00 O ATOM 1871 CB ALA A 119 -4.794 -8.947 -3.980 1.00 0.00 C ATOM 0 H ALA A 119 -3.704 -6.671 -4.013 1.00 0.00 H new ATOM 0 HA ALA A 119 -6.439 -7.613 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -5.437 -9.812 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.530 -8.884 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.887 -9.053 -3.385 1.00 0.00 H new ATOM 1877 N ALA A 120 -5.133 -6.993 -1.276 1.00 0.00 N ATOM 1878 CA ALA A 120 -5.437 -6.908 0.183 1.00 0.00 C ATOM 1879 C ALA A 120 -6.184 -5.598 0.427 1.00 0.00 C ATOM 1880 O ALA A 120 -6.622 -5.337 1.521 1.00 0.00 O ATOM 1881 CB ALA A 120 -4.146 -6.896 1.000 1.00 0.00 C ATOM 0 H ALA A 120 -4.322 -6.453 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 120 -6.033 -7.769 0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.387 -6.834 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.586 -7.811 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.542 -6.035 0.714 1.00 0.00 H new ATOM 1887 N PHE A 121 -6.326 -4.770 -0.593 1.00 0.00 N ATOM 1888 CA PHE A 121 -7.059 -3.462 -0.436 1.00 0.00 C ATOM 1889 C PHE A 121 -8.370 -3.508 -1.251 1.00 0.00 C ATOM 1890 O PHE A 121 -9.302 -2.779 -0.977 1.00 0.00 O ATOM 1891 CB PHE A 121 -6.158 -2.299 -0.930 1.00 0.00 C ATOM 1892 CG PHE A 121 -6.213 -1.124 0.037 1.00 0.00 C ATOM 1893 CD1 PHE A 121 -7.427 -0.470 0.278 1.00 0.00 C ATOM 1894 CD2 PHE A 121 -5.050 -0.699 0.697 1.00 0.00 C ATOM 1895 CE1 PHE A 121 -7.480 0.605 1.175 1.00 0.00 C ATOM 1896 CE2 PHE A 121 -5.104 0.376 1.592 1.00 0.00 C ATOM 1897 CZ PHE A 121 -6.318 1.028 1.831 1.00 0.00 C ATOM 0 H PHE A 121 -5.964 -4.946 -1.530 1.00 0.00 H new ATOM 0 HA PHE A 121 -7.300 -3.298 0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -5.130 -2.647 -1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -6.482 -1.977 -1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.324 -0.795 -0.228 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -4.112 -1.202 0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.418 1.108 1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -4.208 0.702 2.098 1.00 0.00 H new ATOM 0 HZ PHE A 121 -6.359 1.858 2.521 1.00 0.00 H new ATOM 1907 N ALA A 122 -8.458 -4.375 -2.230 1.00 0.00 N ATOM 1908 CA ALA A 122 -9.717 -4.486 -3.042 1.00 0.00 C ATOM 1909 C ALA A 122 -10.531 -5.663 -2.514 1.00 0.00 C ATOM 1910 O ALA A 122 -11.741 -5.681 -2.621 1.00 0.00 O ATOM 1911 CB ALA A 122 -9.379 -4.679 -4.533 1.00 0.00 C ATOM 0 H ALA A 122 -7.712 -5.014 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 122 -10.300 -3.570 -2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -10.302 -4.758 -5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.802 -3.826 -4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -8.794 -5.590 -4.659 1.00 0.00 H new ATOM 1917 N ALA A 123 -9.903 -6.609 -1.891 1.00 0.00 N ATOM 1918 CA ALA A 123 -10.673 -7.733 -1.300 1.00 0.00 C ATOM 1919 C ALA A 123 -10.952 -7.330 0.141 1.00 0.00 C ATOM 1920 O ALA A 123 -11.329 -8.125 0.967 1.00 0.00 O ATOM 1921 CB ALA A 123 -9.827 -9.010 -1.325 1.00 0.00 C ATOM 0 H ALA A 123 -8.892 -6.656 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 123 -11.593 -7.928 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -10.396 -9.832 -0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -9.566 -9.254 -2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -8.916 -8.854 -0.747 1.00 0.00 H new ATOM 1927 N LEU A 124 -10.707 -6.085 0.448 1.00 0.00 N ATOM 1928 CA LEU A 124 -10.882 -5.607 1.843 1.00 0.00 C ATOM 1929 C LEU A 124 -12.312 -5.853 2.363 1.00 0.00 C ATOM 1930 O LEU A 124 -12.479 -6.455 3.404 1.00 0.00 O ATOM 1931 CB LEU A 124 -10.543 -4.097 1.915 1.00 0.00 C ATOM 1932 CG LEU A 124 -9.265 -3.871 2.747 1.00 0.00 C ATOM 1933 CD1 LEU A 124 -8.760 -2.423 2.600 1.00 0.00 C ATOM 1934 CD2 LEU A 124 -9.552 -4.187 4.224 1.00 0.00 C ATOM 0 H LEU A 124 -10.391 -5.376 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 124 -10.203 -6.173 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -10.404 -3.701 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -11.375 -3.552 2.360 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.485 -4.537 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.858 -2.290 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -8.536 -2.220 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.529 -1.733 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -8.649 -4.027 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -10.343 -3.532 4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.868 -5.226 4.319 1.00 0.00 H new ATOM 1946 N PRO A 125 -13.313 -5.343 1.651 1.00 0.00 N ATOM 1947 CA PRO A 125 -14.702 -5.482 2.098 1.00 0.00 C ATOM 1948 C PRO A 125 -14.969 -6.914 2.521 1.00 0.00 C ATOM 1949 O PRO A 125 -15.326 -7.180 3.652 1.00 0.00 O ATOM 1950 CB PRO A 125 -15.567 -5.041 0.899 1.00 0.00 C ATOM 1951 CG PRO A 125 -14.605 -4.428 -0.155 1.00 0.00 C ATOM 1952 CD PRO A 125 -13.160 -4.625 0.362 1.00 0.00 C ATOM 0 HA PRO A 125 -14.931 -4.870 2.970 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -16.107 -5.890 0.480 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -16.314 -4.311 1.210 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.736 -4.914 -1.122 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.819 -3.369 -0.299 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -12.563 -5.202 -0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.655 -3.669 0.499 1.00 0.00 H new ATOM 1960 N GLY A 126 -14.805 -7.838 1.627 1.00 0.00 N ATOM 1961 CA GLY A 126 -15.056 -9.257 1.981 1.00 0.00 C ATOM 1962 C GLY A 126 -13.755 -9.936 2.421 1.00 0.00 C ATOM 1963 O GLY A 126 -13.368 -10.948 1.869 1.00 0.00 O ATOM 0 H GLY A 126 -14.508 -7.674 0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -15.792 -9.314 2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -15.477 -9.783 1.124 1.00 0.00 H new ATOM 1967 N SER A 127 -13.147 -9.460 3.490 1.00 0.00 N ATOM 1968 CA SER A 127 -11.938 -10.186 4.026 1.00 0.00 C ATOM 1969 C SER A 127 -11.179 -9.434 5.142 1.00 0.00 C ATOM 1970 O SER A 127 -10.375 -10.048 5.813 1.00 0.00 O ATOM 1971 CB SER A 127 -10.953 -10.573 2.895 1.00 0.00 C ATOM 1972 OG SER A 127 -10.938 -11.988 2.755 1.00 0.00 O ATOM 0 H SER A 127 -13.425 -8.624 4.004 1.00 0.00 H new ATOM 0 HA SER A 127 -12.347 -11.088 4.482 1.00 0.00 H new ATOM 0 HB2 SER A 127 -11.254 -10.106 1.958 1.00 0.00 H new ATOM 0 HB3 SER A 127 -9.953 -10.207 3.126 1.00 0.00 H new ATOM 0 HG SER A 127 -11.791 -12.288 2.377 1.00 0.00 H new ATOM 1978 N ALA A 128 -11.383 -8.160 5.386 1.00 0.00 N ATOM 1979 CA ALA A 128 -10.582 -7.542 6.498 1.00 0.00 C ATOM 1980 C ALA A 128 -10.964 -6.078 6.779 1.00 0.00 C ATOM 1981 O ALA A 128 -10.179 -5.181 6.558 1.00 0.00 O ATOM 1982 CB ALA A 128 -9.088 -7.614 6.133 1.00 0.00 C ATOM 0 H ALA A 128 -12.033 -7.546 4.895 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.798 -8.106 7.405 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -8.496 -7.168 6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -8.795 -8.656 6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.913 -7.069 5.205 1.00 0.00 H new ATOM 1988 N LYS A 129 -12.124 -5.829 7.329 1.00 0.00 N ATOM 1989 CA LYS A 129 -12.464 -4.413 7.660 1.00 0.00 C ATOM 1990 C LYS A 129 -13.728 -4.299 8.529 1.00 0.00 C ATOM 1991 O LYS A 129 -13.903 -4.977 9.521 1.00 0.00 O ATOM 1992 CB LYS A 129 -12.669 -3.619 6.352 1.00 0.00 C ATOM 1993 CG LYS A 129 -13.844 -4.176 5.513 1.00 0.00 C ATOM 1994 CD LYS A 129 -14.728 -3.013 5.007 1.00 0.00 C ATOM 1995 CE LYS A 129 -13.899 -2.032 4.146 1.00 0.00 C ATOM 1996 NZ LYS A 129 -14.488 -1.960 2.779 1.00 0.00 N ATOM 0 H LYS A 129 -12.834 -6.524 7.559 1.00 0.00 H new ATOM 0 HA LYS A 129 -11.634 -4.002 8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -12.858 -2.572 6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -11.754 -3.652 5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -13.460 -4.747 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -14.440 -4.861 6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -15.557 -3.408 4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -15.162 -2.483 5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -13.893 -1.043 4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -12.862 -2.364 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -13.975 -1.251 2.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -14.411 -2.889 2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -15.490 -1.690 2.847 1.00 0.00 H new ATOM 2010 N ASP A 130 -14.592 -3.412 8.118 1.00 0.00 N ATOM 2011 CA ASP A 130 -15.875 -3.139 8.822 1.00 0.00 C ATOM 2012 C ASP A 130 -16.600 -2.014 8.051 1.00 0.00 C ATOM 2013 O ASP A 130 -16.470 -0.860 8.408 1.00 0.00 O ATOM 2014 CB ASP A 130 -15.567 -2.660 10.258 1.00 0.00 C ATOM 2015 CG ASP A 130 -15.539 -3.854 11.220 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -16.597 -4.402 11.482 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -14.462 -4.196 11.679 1.00 0.00 O ATOM 0 H ASP A 130 -14.452 -2.841 7.285 1.00 0.00 H new ATOM 0 HA ASP A 130 -16.495 -4.035 8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -14.607 -2.144 10.279 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -16.322 -1.942 10.579 1.00 0.00 H new ATOM 2022 N PRO A 131 -17.315 -2.363 6.996 1.00 0.00 N ATOM 2023 CA PRO A 131 -18.015 -1.371 6.159 1.00 0.00 C ATOM 2024 C PRO A 131 -19.417 -1.118 6.723 1.00 0.00 C ATOM 2025 O PRO A 131 -20.007 -0.082 6.495 1.00 0.00 O ATOM 2026 CB PRO A 131 -18.128 -2.083 4.803 1.00 0.00 C ATOM 2027 CG PRO A 131 -18.177 -3.596 5.142 1.00 0.00 C ATOM 2028 CD PRO A 131 -17.500 -3.755 6.529 1.00 0.00 C ATOM 0 HA PRO A 131 -17.506 -0.409 6.107 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -19.024 -1.770 4.267 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -17.277 -1.850 4.163 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -19.206 -3.955 5.168 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -17.654 -4.181 4.385 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -18.124 -4.327 7.215 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -16.548 -4.280 6.451 1.00 0.00 H new ATOM 2036 N SER A 132 -19.969 -2.078 7.418 1.00 0.00 N ATOM 2037 CA SER A 132 -21.353 -1.904 7.945 1.00 0.00 C ATOM 2038 C SER A 132 -22.306 -2.017 6.754 1.00 0.00 C ATOM 2039 O SER A 132 -23.193 -1.212 6.561 1.00 0.00 O ATOM 2040 CB SER A 132 -21.489 -0.524 8.613 1.00 0.00 C ATOM 2041 OG SER A 132 -21.958 0.427 7.665 1.00 0.00 O ATOM 0 H SER A 132 -19.525 -2.968 7.642 1.00 0.00 H new ATOM 0 HA SER A 132 -21.585 -2.661 8.694 1.00 0.00 H new ATOM 0 HB2 SER A 132 -22.180 -0.584 9.454 1.00 0.00 H new ATOM 0 HB3 SER A 132 -20.526 -0.207 9.013 1.00 0.00 H new ATOM 0 HG SER A 132 -21.250 0.617 7.014 1.00 0.00 H new ATOM 2047 N TRP A 133 -22.113 -3.041 5.963 1.00 0.00 N ATOM 2048 CA TRP A 133 -22.972 -3.274 4.763 1.00 0.00 C ATOM 2049 C TRP A 133 -23.020 -2.012 3.896 1.00 0.00 C ATOM 2050 O TRP A 133 -23.558 -0.994 4.281 1.00 0.00 O ATOM 2051 CB TRP A 133 -24.384 -3.665 5.201 1.00 0.00 C ATOM 2052 CG TRP A 133 -24.328 -4.940 5.982 1.00 0.00 C ATOM 2053 CD1 TRP A 133 -24.314 -5.022 7.332 1.00 0.00 C ATOM 2054 CD2 TRP A 133 -24.276 -6.310 5.488 1.00 0.00 C ATOM 2055 NE1 TRP A 133 -24.258 -6.354 7.699 1.00 0.00 N ATOM 2056 CE2 TRP A 133 -24.233 -7.187 6.598 1.00 0.00 C ATOM 2057 CE3 TRP A 133 -24.263 -6.873 4.198 1.00 0.00 C ATOM 2058 CZ2 TRP A 133 -24.178 -8.572 6.435 1.00 0.00 C ATOM 2059 CZ3 TRP A 133 -24.208 -8.267 4.031 1.00 0.00 C ATOM 2060 CH2 TRP A 133 -24.166 -9.114 5.147 1.00 0.00 C ATOM 0 H TRP A 133 -21.382 -3.739 6.101 1.00 0.00 H new ATOM 0 HA TRP A 133 -22.546 -4.087 4.175 1.00 0.00 H new ATOM 0 HB2 TRP A 133 -24.820 -2.872 5.809 1.00 0.00 H new ATOM 0 HB3 TRP A 133 -25.026 -3.788 4.329 1.00 0.00 H new ATOM 0 HD1 TRP A 133 -24.342 -4.184 8.012 1.00 0.00 H new ATOM 0 HE1 TRP A 133 -24.238 -6.681 8.665 1.00 0.00 H new ATOM 0 HE3 TRP A 133 -24.296 -6.230 3.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -24.145 -9.220 7.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -24.198 -8.688 3.037 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -24.124 -10.185 5.012 1.00 0.00 H new ATOM 2071 N ALA A 134 -22.462 -2.087 2.712 1.00 0.00 N ATOM 2072 CA ALA A 134 -22.460 -0.912 1.784 1.00 0.00 C ATOM 2073 C ALA A 134 -23.366 -1.212 0.587 1.00 0.00 C ATOM 2074 O ALA A 134 -23.101 -2.183 -0.102 1.00 0.00 O ATOM 2075 CB ALA A 134 -21.033 -0.664 1.290 1.00 0.00 C ATOM 2076 OXT ALA A 134 -24.308 -0.465 0.380 1.00 0.00 O ATOM 0 H ALA A 134 -22.003 -2.921 2.345 1.00 0.00 H new ATOM 0 HA ALA A 134 -22.826 -0.029 2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -21.026 0.191 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -20.384 -0.459 2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -20.672 -1.547 0.763 1.00 0.00 H new TER 2082 ALA A 134