USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 hydrogens (16 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 NoAdj-H: A 91 SUZ HO2 : A 91 SUZ O2 : A 91 SUZ C12 :(short bond) USER MOD Set 1.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 67 ASN : amide:sc= 0.624 K(o=0.62,f=-3.3!) USER MOD Set 2.1: A 22 GLN : amide:sc= -0.928 K(o=-0.34,f=0.59) USER MOD Set 2.2: A 32 TYR OH : rot -91:sc= 0.588 USER MOD Set 3.1: A 18 SER OG : rot -130:sc= 1.55 USER MOD Set 3.2: A 35 SER OG : rot 180:sc= 0.911 USER MOD Single : A 1 ASN : amide:sc=-0.00171 K(o=-0.0017,f=-0.81) USER MOD Single : A 1 ASN N :NH3+ -151:sc= 1.22 (180deg=0.996) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.384 K(o=0.38,f=-7.9!) USER MOD Single : A 9 MET CE :methyl -163:sc= 0 (180deg=-0.654) USER MOD Single : A 12 HIS : no HE2:sc= 0.821 K(o=0.82,f=-2.6!) USER MOD Single : A 13 HIS : no HD1:sc= -0.0673 X(o=-0.067,f=-0.25) USER MOD Single : A 24 ASN : amide:sc= -0.301 K(o=-0.3,f=-4.2!) USER MOD Single : A 37 MET CE :methyl -150:sc=-0.00892 (180deg=-0.495) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 153:sc= 0 (180deg=-1.11) USER MOD Single : A 56 GLN : amide:sc= -0.762 K(o=-0.76,f=-2.1) USER MOD Single : A 58 ASN : amide:sc= 0.794 K(o=0.79,f=-6!) USER MOD Single : A 61 ASN : amide:sc= 0.606 K(o=0.61,f=-3.5!) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 65 MET CE :methyl 137:sc= -0.235 (180deg=-2.71!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 80:sc= 1.17 USER MOD Single : A 80 GLN : amide:sc= -0.629 X(o=-0.63,f=-0.22) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0466 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 76:sc= 0.867 USER MOD Single : A 90 LYS NZ :NH3+ 160:sc= 1.53 (180deg=0.109!) USER MOD Single : A 91 SUZ C1 :methyl -174:sc= -1.34 (180deg=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 4.801 13.178 7.650 1.00 0.00 N ATOM 2 CA ASN A 1 3.474 12.962 8.276 1.00 0.00 C ATOM 3 C ASN A 1 2.961 11.561 7.977 1.00 0.00 C ATOM 4 O ASN A 1 2.610 11.248 6.841 1.00 0.00 O ATOM 5 CB ASN A 1 2.468 14.008 7.777 1.00 0.00 C ATOM 6 CG ASN A 1 1.090 13.823 8.383 1.00 0.00 C ATOM 7 OD1 ASN A 1 0.943 13.270 9.472 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.071 14.299 7.684 1.00 0.00 N ATOM 0 H1 ASN A 1 5.343 13.864 8.214 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.317 12.276 7.611 1.00 0.00 H new ATOM 0 H3 ASN A 1 4.674 13.546 6.686 1.00 0.00 H new ATOM 0 HA ASN A 1 3.586 13.069 9.355 1.00 0.00 H new ATOM 0 HB2 ASN A 1 2.836 15.005 8.017 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.395 13.948 6.691 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -0.879 14.214 8.045 1.00 0.00 H new ATOM 0 HD22 ASN A 1 0.236 14.751 6.785 1.00 0.00 H new ATOM 17 N ILE A 2 2.934 10.717 8.996 1.00 0.00 N ATOM 18 CA ILE A 2 2.464 9.348 8.842 1.00 0.00 C ATOM 19 C ILE A 2 0.958 9.270 9.068 1.00 0.00 C ATOM 20 O ILE A 2 0.452 9.671 10.122 1.00 0.00 O ATOM 21 CB ILE A 2 3.191 8.391 9.813 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.709 8.590 9.716 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.818 6.944 9.517 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.502 7.715 10.665 1.00 0.00 C ATOM 0 H ILE A 2 3.233 10.956 9.942 1.00 0.00 H new ATOM 0 HA ILE A 2 2.688 9.036 7.822 1.00 0.00 H new ATOM 0 HB ILE A 2 2.876 8.622 10.831 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.028 8.384 8.694 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.943 9.635 9.919 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.340 6.285 10.211 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.742 6.815 9.633 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.105 6.696 8.495 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.566 7.912 10.538 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.212 7.936 11.692 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.299 6.666 10.448 1.00 0.00 H new ATOM 36 N ILE A 3 0.245 8.766 8.072 1.00 0.00 N ATOM 37 CA ILE A 3 -1.202 8.639 8.150 1.00 0.00 C ATOM 38 C ILE A 3 -1.631 7.177 8.019 1.00 0.00 C ATOM 39 O ILE A 3 -1.178 6.464 7.123 1.00 0.00 O ATOM 40 CB ILE A 3 -1.902 9.489 7.058 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.784 10.980 7.390 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.366 9.089 6.908 1.00 0.00 C ATOM 43 CD1 ILE A 3 -2.490 11.881 6.399 1.00 0.00 C ATOM 0 H ILE A 3 0.648 8.436 7.195 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.507 9.011 9.128 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.403 9.301 6.107 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.195 11.156 8.384 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.729 11.252 7.428 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.833 9.701 6.136 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.429 8.038 6.626 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.884 9.242 7.855 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.363 12.921 6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.064 11.735 5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.552 11.636 6.377 1.00 0.00 H new ATOM 55 N THR A 4 -2.494 6.742 8.924 1.00 0.00 N ATOM 56 CA THR A 4 -3.000 5.380 8.917 1.00 0.00 C ATOM 57 C THR A 4 -4.459 5.375 8.478 1.00 0.00 C ATOM 58 O THR A 4 -5.332 5.868 9.195 1.00 0.00 O ATOM 59 CB THR A 4 -2.880 4.739 10.311 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.613 5.078 10.891 1.00 0.00 O ATOM 61 CG2 THR A 4 -3.017 3.224 10.225 1.00 0.00 C ATOM 0 H THR A 4 -2.861 7.320 9.680 1.00 0.00 H new ATOM 0 HA THR A 4 -2.402 4.797 8.216 1.00 0.00 H new ATOM 0 HB THR A 4 -3.685 5.123 10.938 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.540 4.670 11.779 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.929 2.793 11.222 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.990 2.970 9.805 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.230 2.823 9.586 1.00 0.00 H new ATOM 69 N VAL A 5 -4.720 4.840 7.293 1.00 0.00 N ATOM 70 CA VAL A 5 -6.078 4.796 6.769 1.00 0.00 C ATOM 71 C VAL A 5 -6.659 3.385 6.812 1.00 0.00 C ATOM 72 O VAL A 5 -5.956 2.398 6.584 1.00 0.00 O ATOM 73 CB VAL A 5 -6.156 5.320 5.313 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.514 6.691 5.198 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.506 4.347 4.342 1.00 0.00 C ATOM 0 H VAL A 5 -4.014 4.433 6.680 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.666 5.447 7.416 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.210 5.408 5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.581 7.039 4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.033 7.392 5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.466 6.628 5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.577 4.742 3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.457 4.214 4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.018 3.386 4.393 1.00 0.00 H new ATOM 85 N THR A 6 -7.941 3.304 7.122 1.00 0.00 N ATOM 86 CA THR A 6 -8.645 2.037 7.161 1.00 0.00 C ATOM 87 C THR A 6 -9.612 1.997 5.982 1.00 0.00 C ATOM 88 O THR A 6 -10.553 2.790 5.907 1.00 0.00 O ATOM 89 CB THR A 6 -9.397 1.827 8.501 1.00 0.00 C ATOM 90 OG1 THR A 6 -10.281 0.704 8.403 1.00 0.00 O ATOM 91 CG2 THR A 6 -10.187 3.069 8.903 1.00 0.00 C ATOM 0 H THR A 6 -8.520 4.111 7.353 1.00 0.00 H new ATOM 0 HA THR A 6 -7.922 1.224 7.088 1.00 0.00 H new ATOM 0 HB THR A 6 -8.649 1.637 9.271 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.749 0.581 9.255 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.700 2.884 9.847 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.506 3.912 9.020 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.920 3.300 8.130 1.00 0.00 H new ATOM 99 N LEU A 7 -9.356 1.111 5.039 1.00 0.00 N ATOM 100 CA LEU A 7 -10.185 1.017 3.847 1.00 0.00 C ATOM 101 C LEU A 7 -11.216 -0.094 3.950 1.00 0.00 C ATOM 102 O LEU A 7 -10.951 -1.170 4.497 1.00 0.00 O ATOM 103 CB LEU A 7 -9.300 0.796 2.622 1.00 0.00 C ATOM 104 CG LEU A 7 -8.184 1.822 2.432 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.304 1.427 1.261 1.00 0.00 C ATOM 106 CD2 LEU A 7 -8.766 3.210 2.219 1.00 0.00 C ATOM 0 H LEU A 7 -8.583 0.446 5.072 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.730 1.956 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.852 -0.195 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.930 0.800 1.733 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.573 1.844 3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.512 2.166 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.861 0.449 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.905 1.382 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.956 3.927 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.398 3.207 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.361 3.492 3.087 1.00 0.00 H new ATOM 118 N ASN A 8 -12.393 0.180 3.412 1.00 0.00 N ATOM 119 CA ASN A 8 -13.477 -0.781 3.414 1.00 0.00 C ATOM 120 C ASN A 8 -13.411 -1.621 2.151 1.00 0.00 C ATOM 121 O ASN A 8 -13.625 -1.116 1.044 1.00 0.00 O ATOM 122 CB ASN A 8 -14.831 -0.071 3.496 1.00 0.00 C ATOM 123 CG ASN A 8 -15.998 -1.041 3.413 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.432 -1.422 2.321 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.514 -1.449 4.562 1.00 0.00 N ATOM 0 H ASN A 8 -12.620 1.068 2.965 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.373 -1.424 4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.890 0.486 4.431 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.907 0.655 2.687 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.298 -2.101 4.566 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.127 -1.111 5.443 1.00 0.00 H new ATOM 132 N MET A 9 -13.119 -2.897 2.316 1.00 0.00 N ATOM 133 CA MET A 9 -13.017 -3.806 1.185 1.00 0.00 C ATOM 134 C MET A 9 -14.296 -4.616 1.024 1.00 0.00 C ATOM 135 O MET A 9 -14.280 -5.720 0.482 1.00 0.00 O ATOM 136 CB MET A 9 -11.817 -4.740 1.357 1.00 0.00 C ATOM 137 CG MET A 9 -10.493 -4.092 0.996 1.00 0.00 C ATOM 138 SD MET A 9 -10.387 -3.659 -0.753 1.00 0.00 S ATOM 139 CE MET A 9 -10.155 -5.276 -1.488 1.00 0.00 C ATOM 0 H MET A 9 -12.948 -3.330 3.223 1.00 0.00 H new ATOM 0 HA MET A 9 -12.872 -3.211 0.283 1.00 0.00 H new ATOM 0 HB2 MET A 9 -11.776 -5.081 2.392 1.00 0.00 H new ATOM 0 HB3 MET A 9 -11.962 -5.624 0.736 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.356 -3.194 1.598 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.679 -4.772 1.248 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.776 -5.163 -2.504 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.440 -5.846 -0.895 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.108 -5.804 -1.513 1.00 0.00 H new ATOM 149 N GLU A 10 -15.401 -4.070 1.512 1.00 0.00 N ATOM 150 CA GLU A 10 -16.690 -4.738 1.404 1.00 0.00 C ATOM 151 C GLU A 10 -17.399 -4.284 0.141 1.00 0.00 C ATOM 152 O GLU A 10 -17.771 -5.097 -0.703 1.00 0.00 O ATOM 153 CB GLU A 10 -17.556 -4.463 2.634 1.00 0.00 C ATOM 154 CG GLU A 10 -17.005 -5.083 3.910 1.00 0.00 C ATOM 155 CD GLU A 10 -16.439 -6.469 3.678 1.00 0.00 C ATOM 156 OE1 GLU A 10 -17.218 -7.384 3.337 1.00 0.00 O ATOM 157 OE2 GLU A 10 -15.211 -6.648 3.818 1.00 0.00 O ATOM 0 H GLU A 10 -15.431 -3.167 1.986 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.520 -5.813 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.647 -3.386 2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.560 -4.848 2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.226 -4.438 4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.797 -5.137 4.657 1.00 0.00 H new ATOM 164 N ARG A 11 -17.565 -2.978 0.001 1.00 0.00 N ATOM 165 CA ARG A 11 -18.218 -2.427 -1.177 1.00 0.00 C ATOM 166 C ARG A 11 -17.189 -2.196 -2.280 1.00 0.00 C ATOM 167 O ARG A 11 -17.517 -1.743 -3.376 1.00 0.00 O ATOM 168 CB ARG A 11 -18.933 -1.119 -0.834 1.00 0.00 C ATOM 169 CG ARG A 11 -20.075 -0.792 -1.782 1.00 0.00 C ATOM 170 CD ARG A 11 -20.816 0.466 -1.363 1.00 0.00 C ATOM 171 NE ARG A 11 -20.144 1.690 -1.812 1.00 0.00 N ATOM 172 CZ ARG A 11 -20.271 2.868 -1.202 1.00 0.00 C ATOM 173 NH1 ARG A 11 -21.009 2.970 -0.102 1.00 0.00 N ATOM 174 NH2 ARG A 11 -19.666 3.946 -1.692 1.00 0.00 N ATOM 0 H ARG A 11 -17.259 -2.284 0.683 1.00 0.00 H new ATOM 0 HA ARG A 11 -18.963 -3.140 -1.530 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.320 -1.181 0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -18.211 -0.303 -0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -19.684 -0.664 -2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -20.771 -1.630 -1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -21.827 0.441 -1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -20.909 0.484 -0.277 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.546 1.637 -2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -21.478 2.147 0.275 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -21.106 3.872 0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -19.102 3.874 -2.539 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -19.766 4.845 -1.221 1.00 0.00 H new ATOM 188 N HIS A 12 -15.939 -2.513 -1.977 1.00 0.00 N ATOM 189 CA HIS A 12 -14.851 -2.355 -2.929 1.00 0.00 C ATOM 190 C HIS A 12 -14.206 -3.705 -3.198 1.00 0.00 C ATOM 191 O HIS A 12 -14.337 -4.627 -2.392 1.00 0.00 O ATOM 192 CB HIS A 12 -13.798 -1.374 -2.401 1.00 0.00 C ATOM 193 CG HIS A 12 -14.295 0.027 -2.260 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.345 0.682 -1.051 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.759 0.906 -3.182 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.822 1.900 -1.231 1.00 0.00 C ATOM 197 NE2 HIS A 12 -15.079 2.063 -2.515 1.00 0.00 N ATOM 0 H HIS A 12 -15.652 -2.884 -1.071 1.00 0.00 H new ATOM 0 HA HIS A 12 -15.260 -1.953 -3.856 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.444 -1.723 -1.431 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.941 -1.379 -3.074 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -14.058 0.288 -0.155 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.858 0.729 -4.243 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.976 2.638 -0.458 1.00 0.00 H new ATOM 206 N HIS A 13 -13.523 -3.828 -4.325 1.00 0.00 N ATOM 207 CA HIS A 13 -12.859 -5.078 -4.671 1.00 0.00 C ATOM 208 C HIS A 13 -11.365 -4.865 -4.869 1.00 0.00 C ATOM 209 O HIS A 13 -10.591 -5.821 -4.882 1.00 0.00 O ATOM 210 CB HIS A 13 -13.482 -5.698 -5.926 1.00 0.00 C ATOM 211 CG HIS A 13 -14.803 -6.358 -5.671 1.00 0.00 C ATOM 212 ND1 HIS A 13 -15.050 -7.149 -4.569 1.00 0.00 N ATOM 213 CD2 HIS A 13 -15.956 -6.335 -6.378 1.00 0.00 C ATOM 214 CE1 HIS A 13 -16.296 -7.581 -4.610 1.00 0.00 C ATOM 215 NE2 HIS A 13 -16.868 -7.103 -5.695 1.00 0.00 N ATOM 0 H HIS A 13 -13.413 -3.083 -5.013 1.00 0.00 H new ATOM 0 HA HIS A 13 -12.998 -5.770 -3.841 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.612 -4.921 -6.680 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.791 -6.432 -6.341 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.128 -5.811 -7.306 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.767 -8.219 -3.877 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -17.832 -7.275 -5.982 1.00 0.00 H new ATOM 224 N PHE A 14 -10.963 -3.610 -5.016 1.00 0.00 N ATOM 225 CA PHE A 14 -9.558 -3.276 -5.202 1.00 0.00 C ATOM 226 C PHE A 14 -9.242 -1.946 -4.533 1.00 0.00 C ATOM 227 O PHE A 14 -10.141 -1.140 -4.278 1.00 0.00 O ATOM 228 CB PHE A 14 -9.193 -3.233 -6.695 1.00 0.00 C ATOM 229 CG PHE A 14 -10.031 -2.292 -7.518 1.00 0.00 C ATOM 230 CD1 PHE A 14 -9.645 -0.971 -7.697 1.00 0.00 C ATOM 231 CD2 PHE A 14 -11.195 -2.733 -8.127 1.00 0.00 C ATOM 232 CE1 PHE A 14 -10.406 -0.111 -8.463 1.00 0.00 C ATOM 233 CE2 PHE A 14 -11.961 -1.875 -8.892 1.00 0.00 C ATOM 234 CZ PHE A 14 -11.566 -0.563 -9.060 1.00 0.00 C ATOM 0 H PHE A 14 -11.591 -2.806 -5.010 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.956 -4.055 -4.734 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.146 -2.945 -6.791 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.287 -4.238 -7.108 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.739 -0.612 -7.232 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.507 -3.759 -8.002 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.094 0.915 -8.595 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.868 -2.230 -9.358 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.164 0.109 -9.658 1.00 0.00 H new ATOM 244 N LEU A 15 -7.969 -1.721 -4.248 1.00 0.00 N ATOM 245 CA LEU A 15 -7.539 -0.494 -3.593 1.00 0.00 C ATOM 246 C LEU A 15 -7.364 0.628 -4.609 1.00 0.00 C ATOM 247 O LEU A 15 -7.705 1.779 -4.337 1.00 0.00 O ATOM 248 CB LEU A 15 -6.227 -0.718 -2.833 1.00 0.00 C ATOM 249 CG LEU A 15 -6.210 -1.924 -1.890 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.830 -2.092 -1.274 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.269 -1.774 -0.804 1.00 0.00 C ATOM 0 H LEU A 15 -7.214 -2.373 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.313 -0.205 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.422 -0.835 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.006 0.178 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.443 -2.818 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.832 -2.953 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.095 -2.248 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.572 -1.196 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.240 -2.642 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.071 -0.872 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.254 -1.701 -1.264 1.00 0.00 H new ATOM 263 N GLY A 16 -6.862 0.276 -5.783 1.00 0.00 N ATOM 264 CA GLY A 16 -6.640 1.254 -6.826 1.00 0.00 C ATOM 265 C GLY A 16 -5.386 2.073 -6.592 1.00 0.00 C ATOM 266 O GLY A 16 -5.418 3.297 -6.683 1.00 0.00 O ATOM 0 H GLY A 16 -6.603 -0.678 -6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.565 0.746 -7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.500 1.921 -6.885 1.00 0.00 H new ATOM 270 N ILE A 17 -4.280 1.398 -6.297 1.00 0.00 N ATOM 271 CA ILE A 17 -3.006 2.082 -6.041 1.00 0.00 C ATOM 272 C ILE A 17 -1.836 1.274 -6.577 1.00 0.00 C ATOM 273 O ILE A 17 -1.420 0.298 -5.955 1.00 0.00 O ATOM 274 CB ILE A 17 -2.756 2.333 -4.537 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.310 1.183 -3.690 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.357 3.660 -4.108 1.00 0.00 C ATOM 277 CD1 ILE A 17 -2.644 1.053 -2.337 1.00 0.00 C ATOM 0 H ILE A 17 -4.234 0.381 -6.228 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.080 3.041 -6.554 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.679 2.379 -4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.380 1.331 -3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.188 0.248 -4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.170 3.818 -3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.901 4.468 -4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.432 3.648 -4.289 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.086 0.219 -1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.577 0.873 -2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.788 1.973 -1.771 1.00 0.00 H new ATOM 289 N SER A 18 -1.307 1.662 -7.728 1.00 0.00 N ATOM 290 CA SER A 18 -0.195 0.935 -8.308 1.00 0.00 C ATOM 291 C SER A 18 1.074 1.172 -7.492 1.00 0.00 C ATOM 292 O SER A 18 1.553 2.300 -7.364 1.00 0.00 O ATOM 293 CB SER A 18 -0.005 1.310 -9.783 1.00 0.00 C ATOM 294 OG SER A 18 0.531 2.621 -9.928 1.00 0.00 O ATOM 0 H SER A 18 -1.626 2.465 -8.270 1.00 0.00 H new ATOM 0 HA SER A 18 -0.417 -0.132 -8.276 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.661 0.590 -10.259 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.962 1.249 -10.300 1.00 0.00 H new ATOM 0 HG SER A 18 -0.007 3.125 -10.573 1.00 0.00 H new ATOM 300 N ILE A 19 1.582 0.099 -6.909 1.00 0.00 N ATOM 301 CA ILE A 19 2.779 0.163 -6.083 1.00 0.00 C ATOM 302 C ILE A 19 4.026 0.346 -6.941 1.00 0.00 C ATOM 303 O ILE A 19 4.156 -0.264 -8.005 1.00 0.00 O ATOM 304 CB ILE A 19 2.943 -1.111 -5.220 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.580 -1.620 -4.727 1.00 0.00 C ATOM 306 CG2 ILE A 19 3.861 -0.833 -4.038 1.00 0.00 C ATOM 307 CD1 ILE A 19 0.823 -0.625 -3.865 1.00 0.00 C ATOM 0 H ILE A 19 1.181 -0.835 -6.993 1.00 0.00 H new ATOM 0 HA ILE A 19 2.662 1.023 -5.424 1.00 0.00 H new ATOM 0 HB ILE A 19 3.392 -1.887 -5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.966 -1.878 -5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.731 -2.537 -4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.968 -1.738 -3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.840 -0.522 -4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.434 -0.040 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.128 -1.060 -3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.415 -0.385 -2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.638 0.285 -4.436 1.00 0.00 H new ATOM 319 N VAL A 20 4.922 1.209 -6.487 1.00 0.00 N ATOM 320 CA VAL A 20 6.170 1.470 -7.186 1.00 0.00 C ATOM 321 C VAL A 20 7.352 1.189 -6.264 1.00 0.00 C ATOM 322 O VAL A 20 7.498 1.825 -5.221 1.00 0.00 O ATOM 323 CB VAL A 20 6.250 2.928 -7.686 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.546 3.163 -8.448 1.00 0.00 C ATOM 325 CG2 VAL A 20 5.048 3.256 -8.555 1.00 0.00 C ATOM 0 H VAL A 20 4.805 1.746 -5.628 1.00 0.00 H new ATOM 0 HA VAL A 20 6.206 0.809 -8.052 1.00 0.00 H new ATOM 0 HB VAL A 20 6.240 3.591 -6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.583 4.197 -8.792 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.394 2.968 -7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.590 2.493 -9.307 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.119 4.288 -8.900 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.027 2.587 -9.415 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.134 3.130 -7.975 1.00 0.00 H new ATOM 335 N GLY A 21 8.172 0.222 -6.639 1.00 0.00 N ATOM 336 CA GLY A 21 9.326 -0.120 -5.843 1.00 0.00 C ATOM 337 C GLY A 21 10.523 0.728 -6.200 1.00 0.00 C ATOM 338 O GLY A 21 10.969 0.736 -7.351 1.00 0.00 O ATOM 0 H GLY A 21 8.057 -0.334 -7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.091 0.010 -4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.569 -1.172 -5.989 1.00 0.00 H new ATOM 342 N GLN A 22 11.030 1.464 -5.227 1.00 0.00 N ATOM 343 CA GLN A 22 12.185 2.313 -5.444 1.00 0.00 C ATOM 344 C GLN A 22 13.457 1.513 -5.217 1.00 0.00 C ATOM 345 O GLN A 22 13.739 1.074 -4.099 1.00 0.00 O ATOM 346 CB GLN A 22 12.146 3.526 -4.512 1.00 0.00 C ATOM 347 CG GLN A 22 13.090 4.647 -4.926 1.00 0.00 C ATOM 348 CD GLN A 22 12.998 5.862 -4.020 1.00 0.00 C ATOM 349 OE1 GLN A 22 13.132 7.002 -4.471 1.00 0.00 O ATOM 350 NE2 GLN A 22 12.776 5.632 -2.736 1.00 0.00 N ATOM 0 H GLN A 22 10.658 1.490 -4.277 1.00 0.00 H new ATOM 0 HA GLN A 22 12.168 2.675 -6.472 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.128 3.914 -4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.399 3.205 -3.501 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.114 4.273 -4.921 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.864 4.946 -5.950 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.670 4.675 -2.400 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.710 6.412 -2.082 1.00 0.00 H new ATOM 359 N SER A 23 14.205 1.298 -6.282 1.00 0.00 N ATOM 360 CA SER A 23 15.446 0.553 -6.201 1.00 0.00 C ATOM 361 C SER A 23 16.636 1.461 -6.489 1.00 0.00 C ATOM 362 O SER A 23 16.533 2.421 -7.257 1.00 0.00 O ATOM 363 CB SER A 23 15.418 -0.632 -7.167 1.00 0.00 C ATOM 364 OG SER A 23 14.307 -1.477 -6.903 1.00 0.00 O ATOM 0 H SER A 23 13.973 1.631 -7.218 1.00 0.00 H new ATOM 0 HA SER A 23 15.554 0.166 -5.188 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.367 -0.268 -8.193 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.343 -1.202 -7.076 1.00 0.00 H new ATOM 0 HG SER A 23 14.309 -2.227 -7.534 1.00 0.00 H new ATOM 370 N ASN A 24 17.751 1.163 -5.847 1.00 0.00 N ATOM 371 CA ASN A 24 18.975 1.930 -6.013 1.00 0.00 C ATOM 372 C ASN A 24 20.158 1.010 -5.767 1.00 0.00 C ATOM 373 O ASN A 24 19.978 -0.202 -5.630 1.00 0.00 O ATOM 374 CB ASN A 24 19.000 3.109 -5.031 1.00 0.00 C ATOM 375 CG ASN A 24 19.924 4.233 -5.467 1.00 0.00 C ATOM 376 OD1 ASN A 24 20.602 4.141 -6.489 1.00 0.00 O ATOM 377 ND2 ASN A 24 19.964 5.295 -4.682 1.00 0.00 N ATOM 0 H ASN A 24 17.835 0.383 -5.196 1.00 0.00 H new ATOM 0 HA ASN A 24 19.026 2.333 -7.024 1.00 0.00 H new ATOM 0 HB2 ASN A 24 17.989 3.501 -4.919 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.313 2.750 -4.051 1.00 0.00 H new ATOM 0 HD21 ASN A 24 20.574 6.079 -4.915 1.00 0.00 H new ATOM 0 HD22 ASN A 24 19.385 5.331 -3.843 1.00 0.00 H new ATOM 384 N ASP A 25 21.356 1.573 -5.696 1.00 0.00 N ATOM 385 CA ASP A 25 22.560 0.786 -5.449 1.00 0.00 C ATOM 386 C ASP A 25 22.436 0.012 -4.139 1.00 0.00 C ATOM 387 O ASP A 25 22.996 -1.071 -3.989 1.00 0.00 O ATOM 388 CB ASP A 25 23.795 1.688 -5.426 1.00 0.00 C ATOM 389 CG ASP A 25 24.159 2.186 -6.807 1.00 0.00 C ATOM 390 OD1 ASP A 25 24.870 1.463 -7.535 1.00 0.00 O ATOM 391 OD2 ASP A 25 23.726 3.297 -7.179 1.00 0.00 O ATOM 0 H ASP A 25 21.522 2.573 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 25 22.674 0.068 -6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.610 2.539 -4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.637 1.139 -5.005 1.00 0.00 H new ATOM 396 N ARG A 26 21.686 0.570 -3.197 1.00 0.00 N ATOM 397 CA ARG A 26 21.467 -0.086 -1.920 1.00 0.00 C ATOM 398 C ARG A 26 20.326 -1.092 -2.054 1.00 0.00 C ATOM 399 O ARG A 26 20.507 -2.280 -1.796 1.00 0.00 O ATOM 400 CB ARG A 26 21.159 0.939 -0.828 1.00 0.00 C ATOM 401 CG ARG A 26 22.281 1.944 -0.595 1.00 0.00 C ATOM 402 CD ARG A 26 23.575 1.260 -0.174 1.00 0.00 C ATOM 403 NE ARG A 26 24.665 2.216 0.036 1.00 0.00 N ATOM 404 CZ ARG A 26 25.124 2.572 1.234 1.00 0.00 C ATOM 405 NH1 ARG A 26 24.581 2.061 2.335 1.00 0.00 N ATOM 406 NH2 ARG A 26 26.130 3.434 1.334 1.00 0.00 N ATOM 0 H ARG A 26 21.222 1.473 -3.295 1.00 0.00 H new ATOM 0 HA ARG A 26 22.376 -0.614 -1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.250 1.478 -1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 26 20.955 0.413 0.105 1.00 0.00 H new ATOM 0 HG2 ARG A 26 22.452 2.516 -1.507 1.00 0.00 H new ATOM 0 HG3 ARG A 26 21.979 2.655 0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 26 23.405 0.699 0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 26 23.868 0.540 -0.938 1.00 0.00 H new ATOM 0 HE ARG A 26 25.099 2.635 -0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 26 23.812 1.395 2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 26 24.934 2.335 3.252 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.552 3.825 0.492 1.00 0.00 H new ATOM 0 HH22 ARG A 26 26.480 3.705 2.253 1.00 0.00 H new ATOM 420 N GLY A 27 19.155 -0.615 -2.463 1.00 0.00 N ATOM 421 CA GLY A 27 18.024 -1.506 -2.655 1.00 0.00 C ATOM 422 C GLY A 27 16.855 -1.192 -1.746 1.00 0.00 C ATOM 423 O GLY A 27 15.697 -1.349 -2.136 1.00 0.00 O ATOM 0 H GLY A 27 18.969 0.367 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.695 -1.446 -3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.345 -2.533 -2.481 1.00 0.00 H new ATOM 427 N ASP A 28 17.153 -0.741 -0.538 1.00 0.00 N ATOM 428 CA ASP A 28 16.131 -0.408 0.454 1.00 0.00 C ATOM 429 C ASP A 28 15.494 0.950 0.173 1.00 0.00 C ATOM 430 O ASP A 28 15.522 1.852 1.011 1.00 0.00 O ATOM 431 CB ASP A 28 16.747 -0.416 1.856 1.00 0.00 C ATOM 432 CG ASP A 28 18.142 0.177 1.873 1.00 0.00 C ATOM 433 OD1 ASP A 28 19.081 -0.504 1.409 1.00 0.00 O ATOM 434 OD2 ASP A 28 18.305 1.328 2.332 1.00 0.00 O ATOM 0 H ASP A 28 18.109 -0.594 -0.213 1.00 0.00 H new ATOM 0 HA ASP A 28 15.346 -1.162 0.393 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.107 0.147 2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.785 -1.440 2.228 1.00 0.00 H new ATOM 439 N GLY A 29 14.908 1.088 -1.007 1.00 0.00 N ATOM 440 CA GLY A 29 14.270 2.335 -1.380 1.00 0.00 C ATOM 441 C GLY A 29 12.866 2.448 -0.824 1.00 0.00 C ATOM 442 O GLY A 29 12.441 3.527 -0.407 1.00 0.00 O ATOM 0 H GLY A 29 14.863 0.356 -1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.870 3.170 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.236 2.413 -2.467 1.00 0.00 H new ATOM 446 N GLY A 30 12.141 1.341 -0.831 1.00 0.00 N ATOM 447 CA GLY A 30 10.789 1.339 -0.311 1.00 0.00 C ATOM 448 C GLY A 30 9.748 1.371 -1.410 1.00 0.00 C ATOM 449 O GLY A 30 10.063 1.649 -2.569 1.00 0.00 O ATOM 0 H GLY A 30 12.464 0.442 -1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.640 0.450 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.652 2.202 0.341 1.00 0.00 H new ATOM 453 N ILE A 31 8.507 1.081 -1.046 1.00 0.00 N ATOM 454 CA ILE A 31 7.410 1.074 -2.001 1.00 0.00 C ATOM 455 C ILE A 31 6.585 2.354 -1.894 1.00 0.00 C ATOM 456 O ILE A 31 6.165 2.750 -0.802 1.00 0.00 O ATOM 457 CB ILE A 31 6.493 -0.150 -1.802 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.191 -0.373 -0.314 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.133 -1.393 -2.413 1.00 0.00 C ATOM 460 CD1 ILE A 31 5.058 -1.350 -0.065 1.00 0.00 C ATOM 0 H ILE A 31 8.235 0.847 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 31 7.853 1.016 -2.995 1.00 0.00 H new ATOM 0 HB ILE A 31 5.548 0.042 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.091 -0.739 0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.942 0.584 0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.476 -2.250 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.289 -1.235 -3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.091 -1.583 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.900 -1.459 1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.146 -0.975 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.312 -2.319 -0.494 1.00 0.00 H new ATOM 472 N TYR A 32 6.373 3.005 -3.028 1.00 0.00 N ATOM 473 CA TYR A 32 5.613 4.247 -3.074 1.00 0.00 C ATOM 474 C TYR A 32 4.365 4.097 -3.935 1.00 0.00 C ATOM 475 O TYR A 32 4.266 3.183 -4.752 1.00 0.00 O ATOM 476 CB TYR A 32 6.488 5.378 -3.625 1.00 0.00 C ATOM 477 CG TYR A 32 7.612 5.785 -2.704 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.762 5.015 -2.594 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.520 6.940 -1.940 1.00 0.00 C ATOM 480 CE1 TYR A 32 9.788 5.383 -1.746 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.543 7.318 -1.093 1.00 0.00 C ATOM 482 CZ TYR A 32 9.673 6.536 -0.998 1.00 0.00 C ATOM 483 OH TYR A 32 10.687 6.900 -0.145 1.00 0.00 O ATOM 0 H TYR A 32 6.719 2.692 -3.935 1.00 0.00 H new ATOM 0 HA TYR A 32 5.302 4.489 -2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.909 5.066 -4.581 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.860 6.247 -3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.856 4.113 -3.181 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.634 7.553 -2.009 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.675 4.772 -1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.458 8.222 -0.508 1.00 0.00 H new ATOM 0 HH TYR A 32 10.518 6.524 0.744 1.00 0.00 H new ATOM 493 N ILE A 33 3.407 4.989 -3.728 1.00 0.00 N ATOM 494 CA ILE A 33 2.172 4.980 -4.501 1.00 0.00 C ATOM 495 C ILE A 33 2.400 5.670 -5.842 1.00 0.00 C ATOM 496 O ILE A 33 2.722 6.861 -5.891 1.00 0.00 O ATOM 497 CB ILE A 33 1.019 5.687 -3.745 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.777 5.026 -2.381 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.258 5.681 -4.582 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.324 3.586 -2.468 1.00 0.00 C ATOM 0 H ILE A 33 3.461 5.730 -3.029 1.00 0.00 H new ATOM 0 HA ILE A 33 1.885 3.941 -4.659 1.00 0.00 H new ATOM 0 HB ILE A 33 1.310 6.723 -3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.697 5.072 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.026 5.600 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.055 6.182 -4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.080 6.204 -5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.552 4.652 -4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.175 3.190 -1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.613 3.532 -3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.083 2.996 -2.981 1.00 0.00 H new ATOM 512 N GLY A 34 2.254 4.918 -6.922 1.00 0.00 N ATOM 513 CA GLY A 34 2.450 5.475 -8.244 1.00 0.00 C ATOM 514 C GLY A 34 1.219 6.199 -8.745 1.00 0.00 C ATOM 515 O GLY A 34 1.177 7.429 -8.761 1.00 0.00 O ATOM 0 H GLY A 34 2.003 3.930 -6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.293 6.165 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.708 4.676 -8.939 1.00 0.00 H new ATOM 519 N SER A 35 0.212 5.437 -9.144 1.00 0.00 N ATOM 520 CA SER A 35 -1.022 6.018 -9.648 1.00 0.00 C ATOM 521 C SER A 35 -2.230 5.461 -8.905 1.00 0.00 C ATOM 522 O SER A 35 -2.235 4.303 -8.477 1.00 0.00 O ATOM 523 CB SER A 35 -1.155 5.770 -11.153 1.00 0.00 C ATOM 524 OG SER A 35 -0.440 4.608 -11.555 1.00 0.00 O ATOM 0 H SER A 35 0.225 4.417 -9.129 1.00 0.00 H new ATOM 0 HA SER A 35 -0.986 7.094 -9.475 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.208 5.659 -11.413 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.781 6.636 -11.700 1.00 0.00 H new ATOM 0 HG SER A 35 -0.546 4.476 -12.520 1.00 0.00 H new ATOM 530 N ILE A 36 -3.242 6.300 -8.747 1.00 0.00 N ATOM 531 CA ILE A 36 -4.463 5.919 -8.063 1.00 0.00 C ATOM 532 C ILE A 36 -5.605 5.760 -9.063 1.00 0.00 C ATOM 533 O ILE A 36 -5.778 6.584 -9.964 1.00 0.00 O ATOM 534 CB ILE A 36 -4.847 6.962 -6.987 1.00 0.00 C ATOM 535 CG1 ILE A 36 -3.743 7.044 -5.927 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.190 6.619 -6.345 1.00 0.00 C ATOM 537 CD1 ILE A 36 -4.109 7.878 -4.719 1.00 0.00 C ATOM 0 H ILE A 36 -3.238 7.261 -9.089 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.286 4.964 -7.568 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.950 7.935 -7.466 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.495 6.035 -5.597 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.845 7.460 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.436 7.368 -5.592 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.966 6.605 -7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.128 5.638 -5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.276 7.886 -4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.328 8.898 -5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.988 7.451 -4.235 1.00 0.00 H new ATOM 549 N MET A 37 -6.369 4.690 -8.905 1.00 0.00 N ATOM 550 CA MET A 37 -7.493 4.411 -9.785 1.00 0.00 C ATOM 551 C MET A 37 -8.808 4.797 -9.120 1.00 0.00 C ATOM 552 O MET A 37 -9.079 4.409 -7.982 1.00 0.00 O ATOM 553 CB MET A 37 -7.521 2.930 -10.165 1.00 0.00 C ATOM 554 CG MET A 37 -6.503 2.546 -11.228 1.00 0.00 C ATOM 555 SD MET A 37 -6.838 3.313 -12.825 1.00 0.00 S ATOM 556 CE MET A 37 -5.577 4.588 -12.862 1.00 0.00 C ATOM 0 H MET A 37 -6.229 3.996 -8.170 1.00 0.00 H new ATOM 0 HA MET A 37 -7.369 5.007 -10.689 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.341 2.332 -9.271 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.519 2.676 -10.523 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.507 2.836 -10.893 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.497 1.462 -11.345 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.936 5.438 -13.443 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.356 4.911 -11.845 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.671 4.191 -13.321 1.00 0.00 H new ATOM 566 N LYS A 38 -9.615 5.571 -9.835 1.00 0.00 N ATOM 567 CA LYS A 38 -10.907 6.021 -9.333 1.00 0.00 C ATOM 568 C LYS A 38 -11.844 4.835 -9.127 1.00 0.00 C ATOM 569 O LYS A 38 -11.953 3.959 -9.987 1.00 0.00 O ATOM 570 CB LYS A 38 -11.532 7.021 -10.312 1.00 0.00 C ATOM 571 CG LYS A 38 -12.688 7.817 -9.724 1.00 0.00 C ATOM 572 CD LYS A 38 -12.216 8.805 -8.669 1.00 0.00 C ATOM 573 CE LYS A 38 -13.327 9.763 -8.264 1.00 0.00 C ATOM 574 NZ LYS A 38 -14.423 9.081 -7.524 1.00 0.00 N ATOM 0 H LYS A 38 -9.394 5.903 -10.774 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.754 6.512 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.761 7.714 -10.650 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.885 6.482 -11.191 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.201 8.355 -10.521 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.413 7.133 -9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.865 8.262 -7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.368 9.372 -9.053 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.911 10.555 -7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.736 10.239 -9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.155 9.775 -7.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.840 8.342 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.041 8.649 -6.659 1.00 0.00 H new ATOM 588 N GLY A 39 -12.509 4.804 -7.985 1.00 0.00 N ATOM 589 CA GLY A 39 -13.416 3.715 -7.696 1.00 0.00 C ATOM 590 C GLY A 39 -12.797 2.718 -6.746 1.00 0.00 C ATOM 591 O GLY A 39 -13.477 1.837 -6.222 1.00 0.00 O ATOM 0 H GLY A 39 -12.438 5.512 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.335 4.110 -7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.691 3.213 -8.624 1.00 0.00 H new ATOM 595 N GLY A 40 -11.495 2.851 -6.538 1.00 0.00 N ATOM 596 CA GLY A 40 -10.799 1.965 -5.637 1.00 0.00 C ATOM 597 C GLY A 40 -11.013 2.357 -4.191 1.00 0.00 C ATOM 598 O GLY A 40 -11.474 3.466 -3.906 1.00 0.00 O ATOM 0 H GLY A 40 -10.910 3.560 -6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.145 0.943 -5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.733 1.979 -5.864 1.00 0.00 H new ATOM 602 N ALA A 41 -10.667 1.459 -3.278 1.00 0.00 N ATOM 603 CA ALA A 41 -10.826 1.710 -1.850 1.00 0.00 C ATOM 604 C ALA A 41 -10.018 2.930 -1.404 1.00 0.00 C ATOM 605 O ALA A 41 -10.451 3.683 -0.533 1.00 0.00 O ATOM 606 CB ALA A 41 -10.422 0.482 -1.048 1.00 0.00 C ATOM 0 H ALA A 41 -10.272 0.545 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.879 1.922 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.546 0.685 0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.051 -0.361 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.379 0.241 -1.252 1.00 0.00 H new ATOM 612 N VAL A 42 -8.853 3.124 -2.016 1.00 0.00 N ATOM 613 CA VAL A 42 -7.987 4.253 -1.684 1.00 0.00 C ATOM 614 C VAL A 42 -8.587 5.560 -2.186 1.00 0.00 C ATOM 615 O VAL A 42 -8.568 6.578 -1.491 1.00 0.00 O ATOM 616 CB VAL A 42 -6.574 4.071 -2.280 1.00 0.00 C ATOM 617 CG1 VAL A 42 -5.782 5.367 -2.211 1.00 0.00 C ATOM 618 CG2 VAL A 42 -5.837 2.970 -1.548 1.00 0.00 C ATOM 0 H VAL A 42 -8.486 2.513 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.904 4.290 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.680 3.793 -3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.791 5.211 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.302 6.141 -2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.685 5.679 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.842 2.851 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.749 3.230 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.389 2.035 -1.646 1.00 0.00 H new ATOM 628 N ALA A 43 -9.149 5.514 -3.388 1.00 0.00 N ATOM 629 CA ALA A 43 -9.764 6.689 -3.994 1.00 0.00 C ATOM 630 C ALA A 43 -11.010 7.112 -3.223 1.00 0.00 C ATOM 631 O ALA A 43 -11.569 8.182 -3.459 1.00 0.00 O ATOM 632 CB ALA A 43 -10.107 6.412 -5.449 1.00 0.00 C ATOM 0 H ALA A 43 -9.192 4.673 -3.964 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.047 7.509 -3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.566 7.297 -5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.198 6.164 -5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.804 5.576 -5.506 1.00 0.00 H new ATOM 638 N ALA A 44 -11.450 6.258 -2.310 1.00 0.00 N ATOM 639 CA ALA A 44 -12.616 6.549 -1.495 1.00 0.00 C ATOM 640 C ALA A 44 -12.214 7.311 -0.235 1.00 0.00 C ATOM 641 O ALA A 44 -13.065 7.845 0.476 1.00 0.00 O ATOM 642 CB ALA A 44 -13.351 5.268 -1.133 1.00 0.00 C ATOM 0 H ALA A 44 -11.014 5.356 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.290 7.178 -2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.221 5.508 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.675 4.764 -2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.685 4.612 -0.573 1.00 0.00 H new ATOM 648 N ASP A 45 -10.914 7.350 0.045 1.00 0.00 N ATOM 649 CA ASP A 45 -10.412 8.058 1.215 1.00 0.00 C ATOM 650 C ASP A 45 -10.015 9.476 0.833 1.00 0.00 C ATOM 651 O ASP A 45 -10.666 10.437 1.231 1.00 0.00 O ATOM 652 CB ASP A 45 -9.219 7.330 1.835 1.00 0.00 C ATOM 653 CG ASP A 45 -8.865 7.887 3.201 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.200 8.943 3.266 1.00 0.00 O ATOM 655 OD2 ASP A 45 -9.265 7.281 4.222 1.00 0.00 O ATOM 0 H ASP A 45 -10.193 6.901 -0.521 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.209 8.092 1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.448 6.268 1.924 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.357 7.416 1.173 1.00 0.00 H new ATOM 660 N GLY A 46 -8.950 9.603 0.054 1.00 0.00 N ATOM 661 CA GLY A 46 -8.509 10.916 -0.375 1.00 0.00 C ATOM 662 C GLY A 46 -7.198 11.358 0.258 1.00 0.00 C ATOM 663 O GLY A 46 -6.474 12.168 -0.322 1.00 0.00 O ATOM 0 H GLY A 46 -8.386 8.825 -0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.397 10.916 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.282 11.646 -0.135 1.00 0.00 H new ATOM 667 N ARG A 47 -6.883 10.830 1.439 1.00 0.00 N ATOM 668 CA ARG A 47 -5.651 11.205 2.134 1.00 0.00 C ATOM 669 C ARG A 47 -4.418 10.658 1.422 1.00 0.00 C ATOM 670 O ARG A 47 -3.348 11.271 1.457 1.00 0.00 O ATOM 671 CB ARG A 47 -5.675 10.731 3.585 1.00 0.00 C ATOM 672 CG ARG A 47 -6.469 11.645 4.502 1.00 0.00 C ATOM 673 CD ARG A 47 -6.634 11.035 5.882 1.00 0.00 C ATOM 674 NE ARG A 47 -7.366 9.771 5.828 1.00 0.00 N ATOM 675 CZ ARG A 47 -7.629 9.015 6.891 1.00 0.00 C ATOM 676 NH1 ARG A 47 -7.211 9.379 8.097 1.00 0.00 N ATOM 677 NH2 ARG A 47 -8.306 7.883 6.744 1.00 0.00 N ATOM 0 H ARG A 47 -7.458 10.147 1.932 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.593 12.293 2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.101 9.728 3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.652 10.658 3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.964 12.607 4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.450 11.837 4.067 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.653 10.869 6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.163 11.735 6.529 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.696 9.448 4.918 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.684 10.244 8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.417 8.794 8.906 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.623 7.595 5.818 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.509 7.301 7.557 1.00 0.00 H new ATOM 691 N ILE A 48 -4.567 9.511 0.778 1.00 0.00 N ATOM 692 CA ILE A 48 -3.463 8.902 0.053 1.00 0.00 C ATOM 693 C ILE A 48 -3.350 9.523 -1.333 1.00 0.00 C ATOM 694 O ILE A 48 -4.357 9.718 -2.014 1.00 0.00 O ATOM 695 CB ILE A 48 -3.641 7.375 -0.083 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.833 6.733 1.293 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.442 6.755 -0.795 1.00 0.00 C ATOM 698 CD1 ILE A 48 -4.169 5.258 1.230 1.00 0.00 C ATOM 0 H ILE A 48 -5.440 8.984 0.742 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.552 9.087 0.622 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.532 7.187 -0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.922 6.865 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.630 7.257 1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.587 5.678 -0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.346 7.189 -1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.536 6.955 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.291 4.869 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.096 5.119 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.362 4.722 0.730 1.00 0.00 H new ATOM 710 N GLU A 49 -2.136 9.848 -1.737 1.00 0.00 N ATOM 711 CA GLU A 49 -1.896 10.443 -3.039 1.00 0.00 C ATOM 712 C GLU A 49 -0.569 9.944 -3.608 1.00 0.00 C ATOM 713 O GLU A 49 0.270 9.431 -2.866 1.00 0.00 O ATOM 714 CB GLU A 49 -1.898 11.975 -2.923 1.00 0.00 C ATOM 715 CG GLU A 49 -0.733 12.536 -2.125 1.00 0.00 C ATOM 716 CD GLU A 49 -1.015 13.917 -1.581 1.00 0.00 C ATOM 717 OE1 GLU A 49 -0.895 14.899 -2.341 1.00 0.00 O ATOM 718 OE2 GLU A 49 -1.355 14.029 -0.386 1.00 0.00 O ATOM 0 H GLU A 49 -1.295 9.709 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.693 10.147 -3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.880 12.405 -3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.831 12.293 -2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.506 11.863 -1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.153 12.573 -2.759 1.00 0.00 H new ATOM 725 N PRO A 50 -0.375 10.051 -4.935 1.00 0.00 N ATOM 726 CA PRO A 50 0.865 9.627 -5.588 1.00 0.00 C ATOM 727 C PRO A 50 2.097 10.196 -4.895 1.00 0.00 C ATOM 728 O PRO A 50 2.202 11.408 -4.684 1.00 0.00 O ATOM 729 CB PRO A 50 0.733 10.197 -6.998 1.00 0.00 C ATOM 730 CG PRO A 50 -0.733 10.260 -7.240 1.00 0.00 C ATOM 731 CD PRO A 50 -1.356 10.572 -5.907 1.00 0.00 C ATOM 0 HA PRO A 50 0.995 8.545 -5.564 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.190 11.184 -7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.229 9.561 -7.731 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.975 11.028 -7.974 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.105 9.314 -7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.516 11.643 -5.780 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.327 10.089 -5.795 1.00 0.00 H new ATOM 739 N GLY A 51 3.018 9.322 -4.539 1.00 0.00 N ATOM 740 CA GLY A 51 4.222 9.755 -3.863 1.00 0.00 C ATOM 741 C GLY A 51 4.269 9.281 -2.427 1.00 0.00 C ATOM 742 O GLY A 51 5.326 9.293 -1.798 1.00 0.00 O ATOM 0 H GLY A 51 2.956 8.318 -4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.093 9.377 -4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.280 10.843 -3.887 1.00 0.00 H new ATOM 746 N ASP A 52 3.121 8.870 -1.903 1.00 0.00 N ATOM 747 CA ASP A 52 3.040 8.383 -0.530 1.00 0.00 C ATOM 748 C ASP A 52 3.782 7.059 -0.403 1.00 0.00 C ATOM 749 O ASP A 52 3.708 6.211 -1.292 1.00 0.00 O ATOM 750 CB ASP A 52 1.581 8.202 -0.098 1.00 0.00 C ATOM 751 CG ASP A 52 0.882 9.513 0.219 1.00 0.00 C ATOM 752 OD1 ASP A 52 1.569 10.541 0.416 1.00 0.00 O ATOM 753 OD2 ASP A 52 -0.364 9.527 0.280 1.00 0.00 O ATOM 0 H ASP A 52 2.234 8.864 -2.406 1.00 0.00 H new ATOM 0 HA ASP A 52 3.504 9.123 0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.035 7.690 -0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.547 7.558 0.781 1.00 0.00 H new ATOM 758 N MET A 53 4.506 6.883 0.693 1.00 0.00 N ATOM 759 CA MET A 53 5.268 5.660 0.917 1.00 0.00 C ATOM 760 C MET A 53 4.528 4.722 1.861 1.00 0.00 C ATOM 761 O MET A 53 4.101 5.127 2.940 1.00 0.00 O ATOM 762 CB MET A 53 6.648 5.999 1.487 1.00 0.00 C ATOM 763 CG MET A 53 7.522 4.784 1.758 1.00 0.00 C ATOM 764 SD MET A 53 9.190 5.234 2.273 1.00 0.00 S ATOM 765 CE MET A 53 9.824 3.643 2.796 1.00 0.00 C ATOM 0 H MET A 53 4.583 7.571 1.442 1.00 0.00 H new ATOM 0 HA MET A 53 5.390 5.153 -0.040 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.166 6.658 0.790 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.519 6.555 2.415 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.059 4.173 2.532 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.576 4.171 0.858 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.908 3.629 2.685 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.564 3.474 3.841 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.386 2.857 2.181 1.00 0.00 H new ATOM 775 N LEU A 54 4.379 3.473 1.447 1.00 0.00 N ATOM 776 CA LEU A 54 3.698 2.475 2.258 1.00 0.00 C ATOM 777 C LEU A 54 4.676 1.842 3.240 1.00 0.00 C ATOM 778 O LEU A 54 5.585 1.111 2.842 1.00 0.00 O ATOM 779 CB LEU A 54 3.077 1.394 1.369 1.00 0.00 C ATOM 780 CG LEU A 54 1.809 1.804 0.614 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.481 0.777 -0.456 1.00 0.00 C ATOM 782 CD2 LEU A 54 0.637 1.959 1.571 1.00 0.00 C ATOM 0 H LEU A 54 4.722 3.125 0.551 1.00 0.00 H new ATOM 0 HA LEU A 54 2.902 2.968 2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.823 1.074 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.845 0.528 1.989 1.00 0.00 H new ATOM 0 HG LEU A 54 1.990 2.767 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.578 1.079 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.310 0.709 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.320 -0.195 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.253 2.251 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.453 1.012 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.869 2.726 2.310 1.00 0.00 H new ATOM 794 N LEU A 55 4.498 2.139 4.520 1.00 0.00 N ATOM 795 CA LEU A 55 5.373 1.599 5.548 1.00 0.00 C ATOM 796 C LEU A 55 4.826 0.283 6.078 1.00 0.00 C ATOM 797 O LEU A 55 5.425 -0.776 5.899 1.00 0.00 O ATOM 798 CB LEU A 55 5.526 2.586 6.709 1.00 0.00 C ATOM 799 CG LEU A 55 5.971 4.000 6.323 1.00 0.00 C ATOM 800 CD1 LEU A 55 6.120 4.861 7.567 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.279 3.968 5.544 1.00 0.00 C ATOM 0 H LEU A 55 3.758 2.749 4.869 1.00 0.00 H new ATOM 0 HA LEU A 55 6.350 1.429 5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.572 2.655 7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.248 2.178 7.416 1.00 0.00 H new ATOM 0 HG LEU A 55 5.205 4.434 5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.437 5.864 7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.164 4.918 8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.867 4.420 8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.572 4.985 5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.057 3.513 6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.146 3.383 4.634 1.00 0.00 H new ATOM 813 N GLN A 56 3.674 0.362 6.722 1.00 0.00 N ATOM 814 CA GLN A 56 3.042 -0.805 7.302 1.00 0.00 C ATOM 815 C GLN A 56 1.667 -1.036 6.689 1.00 0.00 C ATOM 816 O GLN A 56 0.880 -0.096 6.534 1.00 0.00 O ATOM 817 CB GLN A 56 2.924 -0.627 8.817 1.00 0.00 C ATOM 818 CG GLN A 56 2.153 -1.739 9.506 1.00 0.00 C ATOM 819 CD GLN A 56 1.814 -1.419 10.948 1.00 0.00 C ATOM 820 OE1 GLN A 56 0.765 -1.823 11.453 1.00 0.00 O ATOM 821 NE2 GLN A 56 2.692 -0.695 11.625 1.00 0.00 N ATOM 0 H GLN A 56 3.156 1.230 6.856 1.00 0.00 H new ATOM 0 HA GLN A 56 3.658 -1.679 7.090 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.924 -0.571 9.246 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.435 0.325 9.025 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.232 -1.930 8.956 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.741 -2.656 9.472 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.550 -0.379 11.172 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.511 -0.454 12.599 1.00 0.00 H new ATOM 830 N VAL A 57 1.390 -2.279 6.331 1.00 0.00 N ATOM 831 CA VAL A 57 0.110 -2.635 5.741 1.00 0.00 C ATOM 832 C VAL A 57 -0.501 -3.805 6.496 1.00 0.00 C ATOM 833 O VAL A 57 -0.086 -4.944 6.320 1.00 0.00 O ATOM 834 CB VAL A 57 0.242 -3.014 4.249 1.00 0.00 C ATOM 835 CG1 VAL A 57 -1.119 -3.372 3.667 1.00 0.00 C ATOM 836 CG2 VAL A 57 0.885 -1.885 3.457 1.00 0.00 C ATOM 0 H VAL A 57 2.036 -3.061 6.439 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.533 -1.758 5.813 1.00 0.00 H new ATOM 0 HB VAL A 57 0.889 -3.888 4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.007 -3.636 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.536 -4.219 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.789 -2.517 3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.967 -2.176 2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.271 -0.988 3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.879 -1.681 3.856 1.00 0.00 H new ATOM 846 N ASN A 58 -1.471 -3.503 7.349 1.00 0.00 N ATOM 847 CA ASN A 58 -2.163 -4.516 8.146 1.00 0.00 C ATOM 848 C ASN A 58 -1.212 -5.222 9.116 1.00 0.00 C ATOM 849 O ASN A 58 -0.952 -6.425 8.989 1.00 0.00 O ATOM 850 CB ASN A 58 -2.870 -5.540 7.246 1.00 0.00 C ATOM 851 CG ASN A 58 -4.375 -5.343 7.217 1.00 0.00 C ATOM 852 OD1 ASN A 58 -4.871 -4.238 7.440 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.113 -6.408 6.940 1.00 0.00 N ATOM 0 H ASN A 58 -1.802 -2.552 7.510 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.917 -3.998 8.738 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.476 -5.462 6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.645 -6.546 7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.129 -6.329 6.906 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.665 -7.307 6.761 1.00 0.00 H new ATOM 860 N ASP A 59 -0.686 -4.445 10.066 1.00 0.00 N ATOM 861 CA ASP A 59 0.222 -4.933 11.122 1.00 0.00 C ATOM 862 C ASP A 59 1.647 -5.180 10.626 1.00 0.00 C ATOM 863 O ASP A 59 2.609 -4.740 11.260 1.00 0.00 O ATOM 864 CB ASP A 59 -0.330 -6.200 11.780 1.00 0.00 C ATOM 865 CG ASP A 59 -0.439 -6.080 13.286 1.00 0.00 C ATOM 866 OD1 ASP A 59 0.091 -5.107 13.857 1.00 0.00 O ATOM 867 OD2 ASP A 59 -1.063 -6.968 13.909 1.00 0.00 O ATOM 0 H ASP A 59 -0.878 -3.445 10.129 1.00 0.00 H new ATOM 0 HA ASP A 59 0.275 -4.134 11.862 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.314 -6.420 11.366 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.316 -7.043 11.533 1.00 0.00 H new ATOM 872 N VAL A 60 1.794 -5.875 9.507 1.00 0.00 N ATOM 873 CA VAL A 60 3.124 -6.173 8.977 1.00 0.00 C ATOM 874 C VAL A 60 3.799 -4.918 8.426 1.00 0.00 C ATOM 875 O VAL A 60 3.259 -4.226 7.559 1.00 0.00 O ATOM 876 CB VAL A 60 3.101 -7.277 7.898 1.00 0.00 C ATOM 877 CG1 VAL A 60 3.049 -8.650 8.554 1.00 0.00 C ATOM 878 CG2 VAL A 60 1.933 -7.101 6.942 1.00 0.00 C ATOM 0 H VAL A 60 1.021 -6.241 8.951 1.00 0.00 H new ATOM 0 HA VAL A 60 3.707 -6.547 9.819 1.00 0.00 H new ATOM 0 HB VAL A 60 4.018 -7.194 7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.033 -9.421 7.784 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.928 -8.785 9.185 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.149 -8.728 9.164 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.950 -7.896 6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.997 -7.145 7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.013 -6.135 6.444 1.00 0.00 H new ATOM 888 N ASN A 61 4.980 -4.630 8.952 1.00 0.00 N ATOM 889 CA ASN A 61 5.749 -3.462 8.546 1.00 0.00 C ATOM 890 C ASN A 61 6.767 -3.846 7.477 1.00 0.00 C ATOM 891 O ASN A 61 7.565 -4.761 7.672 1.00 0.00 O ATOM 892 CB ASN A 61 6.458 -2.867 9.764 1.00 0.00 C ATOM 893 CG ASN A 61 6.955 -1.455 9.530 1.00 0.00 C ATOM 894 OD1 ASN A 61 6.388 -0.703 8.742 1.00 0.00 O ATOM 895 ND2 ASN A 61 8.012 -1.080 10.231 1.00 0.00 N ATOM 0 H ASN A 61 5.432 -5.197 9.670 1.00 0.00 H new ATOM 0 HA ASN A 61 5.073 -2.717 8.127 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.774 -2.869 10.612 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.301 -3.503 10.033 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.384 -0.136 10.127 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.455 -1.735 10.876 1.00 0.00 H new ATOM 902 N PHE A 62 6.742 -3.140 6.357 1.00 0.00 N ATOM 903 CA PHE A 62 7.648 -3.429 5.251 1.00 0.00 C ATOM 904 C PHE A 62 8.846 -2.488 5.242 1.00 0.00 C ATOM 905 O PHE A 62 9.608 -2.453 4.275 1.00 0.00 O ATOM 906 CB PHE A 62 6.901 -3.325 3.921 1.00 0.00 C ATOM 907 CG PHE A 62 5.757 -4.291 3.791 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.954 -5.651 3.963 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.484 -3.837 3.489 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.902 -6.540 3.837 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.430 -4.718 3.363 1.00 0.00 C ATOM 912 CZ PHE A 62 3.638 -6.072 3.537 1.00 0.00 C ATOM 0 H PHE A 62 6.105 -2.362 6.188 1.00 0.00 H new ATOM 0 HA PHE A 62 8.020 -4.445 5.386 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.522 -2.310 3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.604 -3.497 3.106 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.941 -6.022 4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.314 -2.779 3.350 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.069 -7.598 3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.443 -4.349 3.128 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.814 -6.763 3.439 1.00 0.00 H new ATOM 922 N GLU A 63 9.020 -1.737 6.321 1.00 0.00 N ATOM 923 CA GLU A 63 10.136 -0.799 6.431 1.00 0.00 C ATOM 924 C GLU A 63 11.475 -1.529 6.424 1.00 0.00 C ATOM 925 O GLU A 63 12.487 -0.979 5.997 1.00 0.00 O ATOM 926 CB GLU A 63 10.033 0.025 7.713 1.00 0.00 C ATOM 927 CG GLU A 63 9.003 1.140 7.657 1.00 0.00 C ATOM 928 CD GLU A 63 9.063 2.031 8.881 1.00 0.00 C ATOM 929 OE1 GLU A 63 8.899 1.513 10.005 1.00 0.00 O ATOM 930 OE2 GLU A 63 9.289 3.251 8.729 1.00 0.00 O ATOM 0 H GLU A 63 8.404 -1.757 7.134 1.00 0.00 H new ATOM 0 HA GLU A 63 10.082 -0.138 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.786 -0.641 8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.009 0.458 7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.168 1.741 6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.006 0.708 7.572 1.00 0.00 H new ATOM 937 N ASN A 64 11.473 -2.767 6.900 1.00 0.00 N ATOM 938 CA ASN A 64 12.699 -3.555 6.965 1.00 0.00 C ATOM 939 C ASN A 64 12.666 -4.710 5.969 1.00 0.00 C ATOM 940 O ASN A 64 13.426 -5.674 6.087 1.00 0.00 O ATOM 941 CB ASN A 64 12.907 -4.088 8.387 1.00 0.00 C ATOM 942 CG ASN A 64 13.171 -2.981 9.393 1.00 0.00 C ATOM 943 OD1 ASN A 64 13.769 -1.956 9.066 1.00 0.00 O ATOM 944 ND2 ASN A 64 12.722 -3.178 10.623 1.00 0.00 N ATOM 0 H ASN A 64 10.641 -3.246 7.245 1.00 0.00 H new ATOM 0 HA ASN A 64 13.534 -2.906 6.700 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.024 -4.649 8.693 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.745 -4.785 8.391 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.867 -2.466 11.339 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.231 -4.041 10.854 1.00 0.00 H new ATOM 951 N MET A 65 11.795 -4.602 4.976 1.00 0.00 N ATOM 952 CA MET A 65 11.664 -5.642 3.966 1.00 0.00 C ATOM 953 C MET A 65 11.951 -5.082 2.579 1.00 0.00 C ATOM 954 O MET A 65 11.883 -3.869 2.365 1.00 0.00 O ATOM 955 CB MET A 65 10.263 -6.260 4.014 1.00 0.00 C ATOM 956 CG MET A 65 10.017 -7.106 5.252 1.00 0.00 C ATOM 957 SD MET A 65 8.315 -7.693 5.376 1.00 0.00 S ATOM 958 CE MET A 65 8.268 -8.894 4.047 1.00 0.00 C ATOM 0 H MET A 65 11.170 -3.806 4.848 1.00 0.00 H new ATOM 0 HA MET A 65 12.395 -6.422 4.179 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.521 -5.462 3.975 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.116 -6.876 3.127 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.691 -7.962 5.240 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.260 -6.521 6.139 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.745 -9.789 4.384 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.745 -8.469 3.191 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.286 -9.156 3.757 1.00 0.00 H new ATOM 968 N SER A 66 12.285 -5.965 1.651 1.00 0.00 N ATOM 969 CA SER A 66 12.589 -5.569 0.284 1.00 0.00 C ATOM 970 C SER A 66 11.319 -5.162 -0.462 1.00 0.00 C ATOM 971 O SER A 66 10.211 -5.524 -0.060 1.00 0.00 O ATOM 972 CB SER A 66 13.288 -6.716 -0.450 1.00 0.00 C ATOM 973 OG SER A 66 14.351 -7.237 0.328 1.00 0.00 O ATOM 0 H SER A 66 12.353 -6.968 1.821 1.00 0.00 H new ATOM 0 HA SER A 66 13.255 -4.707 0.316 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.569 -7.506 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.671 -6.361 -1.407 1.00 0.00 H new ATOM 0 HG SER A 66 14.783 -7.970 -0.158 1.00 0.00 H new ATOM 979 N ASN A 67 11.493 -4.418 -1.551 1.00 0.00 N ATOM 980 CA ASN A 67 10.370 -3.951 -2.365 1.00 0.00 C ATOM 981 C ASN A 67 9.521 -5.127 -2.839 1.00 0.00 C ATOM 982 O ASN A 67 8.294 -5.115 -2.715 1.00 0.00 O ATOM 983 CB ASN A 67 10.875 -3.168 -3.585 1.00 0.00 C ATOM 984 CG ASN A 67 11.740 -1.974 -3.226 1.00 0.00 C ATOM 985 OD1 ASN A 67 11.572 -1.349 -2.180 1.00 0.00 O ATOM 986 ND2 ASN A 67 12.681 -1.655 -4.100 1.00 0.00 N ATOM 0 H ASN A 67 12.407 -4.123 -1.894 1.00 0.00 H new ATOM 0 HA ASN A 67 9.759 -3.295 -1.744 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.446 -3.840 -4.226 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.019 -2.824 -4.165 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.300 -0.865 -3.918 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.787 -2.199 -4.956 1.00 0.00 H new ATOM 993 N ASP A 68 10.192 -6.146 -3.370 1.00 0.00 N ATOM 994 CA ASP A 68 9.521 -7.347 -3.868 1.00 0.00 C ATOM 995 C ASP A 68 8.761 -8.036 -2.746 1.00 0.00 C ATOM 996 O ASP A 68 7.592 -8.385 -2.898 1.00 0.00 O ATOM 997 CB ASP A 68 10.539 -8.327 -4.464 1.00 0.00 C ATOM 998 CG ASP A 68 10.875 -8.025 -5.910 1.00 0.00 C ATOM 999 OD1 ASP A 68 11.668 -7.094 -6.156 1.00 0.00 O ATOM 1000 OD2 ASP A 68 10.360 -8.729 -6.806 1.00 0.00 O ATOM 0 H ASP A 68 11.207 -6.165 -3.467 1.00 0.00 H new ATOM 0 HA ASP A 68 8.820 -7.041 -4.645 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.453 -8.298 -3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.144 -9.340 -4.393 1.00 0.00 H new ATOM 1005 N ASP A 69 9.432 -8.201 -1.610 1.00 0.00 N ATOM 1006 CA ASP A 69 8.842 -8.859 -0.447 1.00 0.00 C ATOM 1007 C ASP A 69 7.603 -8.120 0.028 1.00 0.00 C ATOM 1008 O ASP A 69 6.610 -8.739 0.419 1.00 0.00 O ATOM 1009 CB ASP A 69 9.864 -8.957 0.685 1.00 0.00 C ATOM 1010 CG ASP A 69 10.310 -10.381 0.922 1.00 0.00 C ATOM 1011 OD1 ASP A 69 9.648 -11.306 0.408 1.00 0.00 O ATOM 1012 OD2 ASP A 69 11.327 -10.586 1.617 1.00 0.00 O ATOM 0 H ASP A 69 10.392 -7.886 -1.469 1.00 0.00 H new ATOM 0 HA ASP A 69 8.546 -9.865 -0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.731 -8.341 0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.430 -8.556 1.601 1.00 0.00 H new ATOM 1017 N ALA A 70 7.663 -6.795 -0.024 1.00 0.00 N ATOM 1018 CA ALA A 70 6.547 -5.960 0.387 1.00 0.00 C ATOM 1019 C ALA A 70 5.328 -6.236 -0.483 1.00 0.00 C ATOM 1020 O ALA A 70 4.236 -6.469 0.027 1.00 0.00 O ATOM 1021 CB ALA A 70 6.930 -4.490 0.316 1.00 0.00 C ATOM 0 H ALA A 70 8.479 -6.276 -0.349 1.00 0.00 H new ATOM 0 HA ALA A 70 6.296 -6.202 1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.083 -3.878 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.776 -4.302 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.206 -4.235 -0.707 1.00 0.00 H new ATOM 1027 N VAL A 71 5.534 -6.240 -1.799 1.00 0.00 N ATOM 1028 CA VAL A 71 4.450 -6.493 -2.744 1.00 0.00 C ATOM 1029 C VAL A 71 3.899 -7.912 -2.569 1.00 0.00 C ATOM 1030 O VAL A 71 2.697 -8.141 -2.701 1.00 0.00 O ATOM 1031 CB VAL A 71 4.913 -6.286 -4.210 1.00 0.00 C ATOM 1032 CG1 VAL A 71 3.792 -6.598 -5.191 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.403 -4.861 -4.420 1.00 0.00 C ATOM 0 H VAL A 71 6.441 -6.071 -2.234 1.00 0.00 H new ATOM 0 HA VAL A 71 3.659 -5.774 -2.531 1.00 0.00 H new ATOM 0 HB VAL A 71 5.736 -6.976 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.147 -6.444 -6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.480 -7.635 -5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.946 -5.939 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.724 -4.735 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.595 -4.163 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.242 -4.663 -3.753 1.00 0.00 H new ATOM 1043 N ARG A 72 4.782 -8.857 -2.247 1.00 0.00 N ATOM 1044 CA ARG A 72 4.385 -10.252 -2.046 1.00 0.00 C ATOM 1045 C ARG A 72 3.333 -10.376 -0.947 1.00 0.00 C ATOM 1046 O ARG A 72 2.227 -10.862 -1.185 1.00 0.00 O ATOM 1047 CB ARG A 72 5.600 -11.110 -1.694 1.00 0.00 C ATOM 1048 CG ARG A 72 6.546 -11.329 -2.857 1.00 0.00 C ATOM 1049 CD ARG A 72 7.673 -12.276 -2.485 1.00 0.00 C ATOM 1050 NE ARG A 72 8.576 -12.511 -3.609 1.00 0.00 N ATOM 1051 CZ ARG A 72 9.857 -12.150 -3.629 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.411 -11.557 -2.576 1.00 0.00 N ATOM 1053 NH2 ARG A 72 10.597 -12.395 -4.702 1.00 0.00 N ATOM 0 H ARG A 72 5.779 -8.682 -2.119 1.00 0.00 H new ATOM 0 HA ARG A 72 3.952 -10.608 -2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.145 -10.636 -0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.257 -12.078 -1.328 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.994 -11.734 -3.705 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.962 -10.373 -3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.235 -11.862 -1.648 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.255 -13.225 -2.150 1.00 0.00 H new ATOM 0 HE ARG A 72 8.200 -12.982 -4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.853 -11.374 -1.742 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.394 -11.285 -2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.184 -12.860 -5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.579 -12.119 -4.718 1.00 0.00 H new ATOM 1067 N VAL A 73 3.676 -9.911 0.251 1.00 0.00 N ATOM 1068 CA VAL A 73 2.757 -9.970 1.382 1.00 0.00 C ATOM 1069 C VAL A 73 1.545 -9.082 1.122 1.00 0.00 C ATOM 1070 O VAL A 73 0.426 -9.399 1.529 1.00 0.00 O ATOM 1071 CB VAL A 73 3.445 -9.550 2.699 1.00 0.00 C ATOM 1072 CG1 VAL A 73 2.510 -9.747 3.884 1.00 0.00 C ATOM 1073 CG2 VAL A 73 4.734 -10.334 2.900 1.00 0.00 C ATOM 0 H VAL A 73 4.581 -9.491 0.463 1.00 0.00 H new ATOM 0 HA VAL A 73 2.432 -11.005 1.490 1.00 0.00 H new ATOM 0 HB VAL A 73 3.691 -8.490 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.016 -9.445 4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.615 -9.140 3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.228 -10.798 3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.206 -10.025 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.509 -11.400 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.412 -10.139 2.069 1.00 0.00 H new ATOM 1083 N LEU A 74 1.775 -7.979 0.416 1.00 0.00 N ATOM 1084 CA LEU A 74 0.710 -7.050 0.070 1.00 0.00 C ATOM 1085 C LEU A 74 -0.357 -7.763 -0.758 1.00 0.00 C ATOM 1086 O LEU A 74 -1.552 -7.573 -0.541 1.00 0.00 O ATOM 1087 CB LEU A 74 1.282 -5.861 -0.714 1.00 0.00 C ATOM 1088 CG LEU A 74 0.314 -4.711 -0.979 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.164 -4.101 0.327 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.975 -3.658 -1.853 1.00 0.00 C ATOM 0 H LEU A 74 2.696 -7.708 0.072 1.00 0.00 H new ATOM 0 HA LEU A 74 0.253 -6.678 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.140 -5.470 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.653 -6.226 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.555 -5.104 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.853 -3.283 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.674 -4.861 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.691 -3.720 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.274 -2.843 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.860 -3.270 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.266 -4.105 -2.804 1.00 0.00 H new ATOM 1102 N ARG A 75 0.086 -8.607 -1.688 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.826 -9.363 -2.540 1.00 0.00 C ATOM 1104 C ARG A 75 -1.680 -10.309 -1.708 1.00 0.00 C ATOM 1105 O ARG A 75 -2.859 -10.505 -1.995 1.00 0.00 O ATOM 1106 CB ARG A 75 -0.053 -10.161 -3.591 1.00 0.00 C ATOM 1107 CG ARG A 75 0.580 -9.300 -4.670 1.00 0.00 C ATOM 1108 CD ARG A 75 0.922 -10.109 -5.907 1.00 0.00 C ATOM 1109 NE ARG A 75 0.244 -9.585 -7.093 1.00 0.00 N ATOM 1110 CZ ARG A 75 0.858 -8.944 -8.087 1.00 0.00 C ATOM 1111 NH1 ARG A 75 2.178 -8.810 -8.087 1.00 0.00 N ATOM 1112 NH2 ARG A 75 0.150 -8.456 -9.097 1.00 0.00 N ATOM 0 H ARG A 75 1.074 -8.784 -1.870 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.476 -8.649 -3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.728 -10.737 -3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.728 -10.877 -4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.103 -8.495 -4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.484 -8.834 -4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.000 -10.094 -6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.637 -11.150 -5.753 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.765 -9.719 -7.164 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.730 -9.199 -7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.641 -8.318 -8.851 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.863 -8.572 -9.112 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.619 -7.965 -9.858 1.00 0.00 H new ATOM 1126 N GLU A 76 -1.079 -10.877 -0.671 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.775 -11.802 0.212 1.00 0.00 C ATOM 1128 C GLU A 76 -2.906 -11.103 0.954 1.00 0.00 C ATOM 1129 O GLU A 76 -3.956 -11.698 1.208 1.00 0.00 O ATOM 1130 CB GLU A 76 -0.797 -12.414 1.213 1.00 0.00 C ATOM 1131 CG GLU A 76 0.254 -13.298 0.563 1.00 0.00 C ATOM 1132 CD GLU A 76 -0.340 -14.238 -0.461 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -1.031 -15.201 -0.061 1.00 0.00 O ATOM 1134 OE2 GLU A 76 -0.135 -14.011 -1.668 1.00 0.00 O ATOM 0 H GLU A 76 -0.104 -10.711 -0.420 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.204 -12.595 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.300 -11.613 1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.355 -13.001 1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.007 -12.672 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.764 -13.878 1.332 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.683 -9.843 1.299 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.677 -9.052 2.011 1.00 0.00 C ATOM 1143 C ILE A 77 -4.718 -8.504 1.036 1.00 0.00 C ATOM 1144 O ILE A 77 -5.921 -8.561 1.289 1.00 0.00 O ATOM 1145 CB ILE A 77 -3.007 -7.885 2.767 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.939 -8.416 3.724 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -4.046 -7.066 3.523 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -1.009 -7.346 4.253 1.00 0.00 C ATOM 0 H ILE A 77 -1.817 -9.344 1.096 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.171 -9.701 2.734 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.526 -7.233 2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.429 -8.907 4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.350 -9.176 3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.553 -6.249 4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.771 -6.659 2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.558 -7.704 4.243 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.279 -7.798 4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.490 -6.871 3.420 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.587 -6.598 4.795 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.240 -8.001 -0.093 1.00 0.00 N ATOM 1161 CA VAL A 78 -5.101 -7.433 -1.125 1.00 0.00 C ATOM 1162 C VAL A 78 -6.046 -8.486 -1.714 1.00 0.00 C ATOM 1163 O VAL A 78 -7.184 -8.184 -2.075 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.237 -6.788 -2.236 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.028 -6.543 -3.517 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.631 -5.488 -1.725 1.00 0.00 C ATOM 0 H VAL A 78 -3.246 -7.974 -0.321 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.721 -6.664 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.441 -7.489 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.378 -6.090 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.410 -7.491 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.862 -5.873 -3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.023 -5.037 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.429 -4.801 -1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.006 -5.695 -0.856 1.00 0.00 H new ATOM 1176 N SER A 79 -5.581 -9.722 -1.789 1.00 0.00 N ATOM 1177 CA SER A 79 -6.391 -10.804 -2.327 1.00 0.00 C ATOM 1178 C SER A 79 -7.104 -11.558 -1.203 1.00 0.00 C ATOM 1179 O SER A 79 -7.577 -12.679 -1.396 1.00 0.00 O ATOM 1180 CB SER A 79 -5.510 -11.758 -3.136 1.00 0.00 C ATOM 1181 OG SER A 79 -4.634 -11.032 -3.988 1.00 0.00 O ATOM 0 H SER A 79 -4.648 -10.002 -1.485 1.00 0.00 H new ATOM 0 HA SER A 79 -7.151 -10.379 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.930 -12.387 -2.460 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.136 -12.423 -3.731 1.00 0.00 H new ATOM 0 HG SER A 79 -3.865 -10.713 -3.471 1.00 0.00 H new ATOM 1187 N GLN A 80 -7.194 -10.936 -0.033 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.848 -11.560 1.107 1.00 0.00 C ATOM 1189 C GLN A 80 -9.105 -10.787 1.499 1.00 0.00 C ATOM 1190 O GLN A 80 -9.301 -9.647 1.082 1.00 0.00 O ATOM 1191 CB GLN A 80 -6.889 -11.632 2.296 1.00 0.00 C ATOM 1192 CG GLN A 80 -7.114 -12.851 3.174 1.00 0.00 C ATOM 1193 CD GLN A 80 -6.848 -14.154 2.442 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -7.557 -15.138 2.629 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -5.817 -14.174 1.609 1.00 0.00 N ATOM 0 H GLN A 80 -6.823 -10.003 0.149 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.137 -12.572 0.821 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.863 -11.642 1.927 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.001 -10.732 2.900 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.465 -12.790 4.047 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.141 -12.847 3.539 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.250 -13.336 1.479 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.591 -15.027 1.098 1.00 0.00 H new ATOM 1204 N THR A 81 -9.954 -11.417 2.291 1.00 0.00 N ATOM 1205 CA THR A 81 -11.186 -10.795 2.744 1.00 0.00 C ATOM 1206 C THR A 81 -11.010 -10.171 4.126 1.00 0.00 C ATOM 1207 O THR A 81 -10.457 -10.800 5.026 1.00 0.00 O ATOM 1208 CB THR A 81 -12.317 -11.831 2.793 1.00 0.00 C ATOM 1209 OG1 THR A 81 -11.776 -13.141 2.558 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.379 -11.524 1.750 1.00 0.00 C ATOM 0 H THR A 81 -9.811 -12.366 2.636 1.00 0.00 H new ATOM 0 HA THR A 81 -11.443 -10.008 2.035 1.00 0.00 H new ATOM 0 HB THR A 81 -12.781 -11.792 3.779 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.497 -13.804 2.591 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.170 -12.272 1.805 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.800 -10.537 1.939 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.930 -11.543 0.757 1.00 0.00 H new ATOM 1218 N GLY A 82 -11.466 -8.935 4.285 1.00 0.00 N ATOM 1219 CA GLY A 82 -11.353 -8.259 5.562 1.00 0.00 C ATOM 1220 C GLY A 82 -10.962 -6.802 5.393 1.00 0.00 C ATOM 1221 O GLY A 82 -10.911 -6.309 4.265 1.00 0.00 O ATOM 0 H GLY A 82 -11.913 -8.388 3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.303 -8.322 6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.610 -8.766 6.178 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.703 -6.077 6.493 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.307 -4.670 6.437 1.00 0.00 C ATOM 1227 C PRO A 83 -8.808 -4.502 6.193 1.00 0.00 C ATOM 1228 O PRO A 83 -7.992 -5.270 6.709 1.00 0.00 O ATOM 1229 CB PRO A 83 -10.696 -4.153 7.819 1.00 0.00 C ATOM 1230 CG PRO A 83 -10.567 -5.335 8.723 1.00 0.00 C ATOM 1231 CD PRO A 83 -10.789 -6.569 7.879 1.00 0.00 C ATOM 0 HA PRO A 83 -10.783 -4.133 5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.042 -3.341 8.135 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.714 -3.762 7.822 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -9.581 -5.359 9.187 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.298 -5.284 9.530 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.035 -7.330 8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.760 -7.021 8.082 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.447 -3.504 5.398 1.00 0.00 N ATOM 1240 CA ILE A 84 -7.048 -3.251 5.090 1.00 0.00 C ATOM 1241 C ILE A 84 -6.633 -1.851 5.532 1.00 0.00 C ATOM 1242 O ILE A 84 -7.219 -0.849 5.109 1.00 0.00 O ATOM 1243 CB ILE A 84 -6.756 -3.418 3.581 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -7.139 -4.830 3.120 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -5.285 -3.143 3.291 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -6.924 -5.070 1.640 1.00 0.00 C ATOM 0 H ILE A 84 -9.102 -2.859 4.956 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.466 -3.990 5.641 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.357 -2.697 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.556 -5.557 3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.188 -5.008 3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.095 -3.265 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.040 -2.124 3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.666 -3.844 3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.217 -6.090 1.390 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.529 -4.368 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.871 -4.925 1.397 1.00 0.00 H new ATOM 1258 N SER A 85 -5.635 -1.796 6.398 1.00 0.00 N ATOM 1259 CA SER A 85 -5.120 -0.536 6.899 1.00 0.00 C ATOM 1260 C SER A 85 -3.792 -0.207 6.225 1.00 0.00 C ATOM 1261 O SER A 85 -2.871 -1.025 6.216 1.00 0.00 O ATOM 1262 CB SER A 85 -4.937 -0.602 8.417 1.00 0.00 C ATOM 1263 OG SER A 85 -6.171 -0.847 9.076 1.00 0.00 O ATOM 0 H SER A 85 -5.162 -2.619 6.771 1.00 0.00 H new ATOM 0 HA SER A 85 -5.838 0.251 6.668 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.227 -1.391 8.666 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.511 0.335 8.775 1.00 0.00 H new ATOM 0 HG SER A 85 -6.023 -0.886 10.044 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.707 0.980 5.652 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.495 1.409 4.977 1.00 0.00 C ATOM 1271 C LEU A 86 -1.829 2.545 5.738 1.00 0.00 C ATOM 1272 O LEU A 86 -2.430 3.600 5.940 1.00 0.00 O ATOM 1273 CB LEU A 86 -2.802 1.860 3.546 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.426 0.798 2.639 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -3.784 1.401 1.292 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.474 -0.369 2.451 1.00 0.00 C ATOM 0 H LEU A 86 -4.463 1.665 5.640 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.814 0.559 4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.476 2.716 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.876 2.206 3.087 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.336 0.431 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.227 0.634 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.499 2.212 1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.884 1.790 0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.935 -1.114 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.549 -0.015 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.253 -0.818 3.419 1.00 0.00 H new ATOM 1288 N THR A 87 -0.599 2.320 6.176 1.00 0.00 N ATOM 1289 CA THR A 87 0.149 3.340 6.894 1.00 0.00 C ATOM 1290 C THR A 87 1.115 4.020 5.930 1.00 0.00 C ATOM 1291 O THR A 87 2.179 3.479 5.619 1.00 0.00 O ATOM 1292 CB THR A 87 0.927 2.736 8.080 1.00 0.00 C ATOM 1293 OG1 THR A 87 0.189 1.638 8.629 1.00 0.00 O ATOM 1294 CG2 THR A 87 1.165 3.773 9.163 1.00 0.00 C ATOM 0 H THR A 87 -0.099 1.441 6.047 1.00 0.00 H new ATOM 0 HA THR A 87 -0.554 4.069 7.296 1.00 0.00 H new ATOM 0 HB THR A 87 1.894 2.391 7.713 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.276 0.859 8.041 1.00 0.00 H new ATOM 0 HG21 THR A 87 1.716 3.319 9.987 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.743 4.601 8.753 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.207 4.144 9.528 1.00 0.00 H new ATOM 1302 N VAL A 88 0.725 5.188 5.442 1.00 0.00 N ATOM 1303 CA VAL A 88 1.538 5.920 4.482 1.00 0.00 C ATOM 1304 C VAL A 88 2.351 7.033 5.135 1.00 0.00 C ATOM 1305 O VAL A 88 1.914 7.668 6.099 1.00 0.00 O ATOM 1306 CB VAL A 88 0.677 6.526 3.351 1.00 0.00 C ATOM 1307 CG1 VAL A 88 0.035 5.431 2.516 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.393 7.457 3.908 1.00 0.00 C ATOM 0 H VAL A 88 -0.149 5.649 5.695 1.00 0.00 H new ATOM 0 HA VAL A 88 2.227 5.188 4.061 1.00 0.00 H new ATOM 0 HB VAL A 88 1.339 7.111 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.566 5.881 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.812 4.810 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.602 4.816 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.982 7.867 3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.046 6.900 4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.082 8.271 4.456 1.00 0.00 H new ATOM 1318 N ALA A 89 3.541 7.252 4.602 1.00 0.00 N ATOM 1319 CA ALA A 89 4.430 8.289 5.092 1.00 0.00 C ATOM 1320 C ALA A 89 4.476 9.439 4.100 1.00 0.00 C ATOM 1321 O ALA A 89 5.059 9.323 3.017 1.00 0.00 O ATOM 1322 CB ALA A 89 5.819 7.728 5.325 1.00 0.00 C ATOM 0 H ALA A 89 3.917 6.717 3.819 1.00 0.00 H new ATOM 0 HA ALA A 89 4.050 8.662 6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.474 8.518 5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.769 6.927 6.062 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.215 7.335 4.388 1.00 0.00 H new ATOM 1328 N LYS A 90 3.846 10.541 4.463 1.00 0.00 N ATOM 1329 CA LYS A 90 3.800 11.711 3.610 1.00 0.00 C ATOM 1330 C LYS A 90 4.871 12.708 4.024 1.00 0.00 C ATOM 1331 O LYS A 90 4.683 13.397 5.046 1.00 0.00 O ATOM 1332 CB LYS A 90 2.415 12.356 3.680 1.00 0.00 C ATOM 1333 CG LYS A 90 1.281 11.346 3.570 1.00 0.00 C ATOM 1334 CD LYS A 90 -0.081 12.006 3.698 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.401 12.877 2.494 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.549 12.074 1.252 1.00 0.00 N ATOM 1337 OXT LYS A 90 5.910 12.783 3.338 1.00 0.00 O ATOM 0 H LYS A 90 3.356 10.649 5.351 1.00 0.00 H new ATOM 0 HA LYS A 90 3.992 11.405 2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.320 12.899 4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.321 13.088 2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.346 10.831 2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.392 10.590 4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.848 11.239 3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.107 12.613 4.603 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.322 13.430 2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.391 13.613 2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.083 12.621 0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.392 11.845 0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.059 11.193 1.467 1.00 0.00 H new TER 1351 LYS A 90 HETATM 1352 C20 SUZ A 91 3.194 -3.766 -8.578 1.00 20.00 C HETATM 1353 C19 SUZ A 91 2.124 -2.885 -8.605 1.00 20.00 C HETATM 1354 C5 SUZ A 91 1.052 -3.077 -9.540 1.00 20.00 C HETATM 1355 C6 SUZ A 91 -0.300 -2.447 -9.249 1.00 20.00 C HETATM 1356 C7 SUZ A 91 -1.120 -2.825 -8.092 1.00 20.00 C HETATM 1357 C18 SUZ A 91 -0.709 -3.915 -7.070 1.00 20.00 C HETATM 1358 C17 SUZ A 91 0.335 -4.860 -6.959 1.00 20.00 C HETATM 1359 C16 SUZ A 91 0.371 -5.673 -5.879 1.00 20.00 C HETATM 1360 C15 SUZ A 91 -0.605 -5.593 -4.880 1.00 20.00 C HETATM 1361 F SUZ A 91 -0.539 -6.419 -3.825 1.00 20.00 F HETATM 1362 C14 SUZ A 91 -1.638 -4.676 -4.973 1.00 20.00 C HETATM 1363 C13 SUZ A 91 -1.680 -3.849 -6.062 1.00 20.00 C HETATM 1364 C10 SUZ A 91 -2.667 -2.753 -6.447 1.00 20.00 C HETATM 1365 C11 SUZ A 91 -3.791 -2.367 -5.438 1.00 20.00 C HETATM 1366 C12 SUZ A 91 -5.178 -2.526 -6.039 1.00 20.00 C HETATM 1367 O3 SUZ A 91 -5.498 -1.795 -7.093 1.00 20.00 O HETATM 1368 O2 SUZ A 91 -6.011 -3.306 -5.559 1.00 20.00 O HETATM 1369 C8 SUZ A 91 -2.367 -2.153 -7.622 1.00 20.00 C HETATM 1370 C9 SUZ A 91 -3.122 -1.068 -8.282 1.00 20.00 C HETATM 1371 C4 SUZ A 91 1.103 -4.153 -10.413 1.00 20.00 C HETATM 1372 C3 SUZ A 91 2.202 -5.059 -10.381 1.00 20.00 C HETATM 1373 C2 SUZ A 91 3.235 -4.867 -9.475 1.00 20.00 C HETATM 1374 S SUZ A 91 4.594 -5.951 -9.401 1.00 20.00 S HETATM 1375 O1 SUZ A 91 4.284 -7.175 -8.727 1.00 20.00 O HETATM 1376 C1 SUZ A 91 5.749 -5.058 -8.406 1.00 20.00 C HETATM 0 H11A SUZ A 91 -3.708 -2.991 -4.548 1.00 20.00 H new HETATM 0 H9B SUZ A 91 -2.479 -0.195 -8.396 1.00 20.00 H new HETATM 0 H9A SUZ A 91 -3.457 -1.403 -9.264 1.00 20.00 H new HETATM 0 H9 SUZ A 91 -3.987 -0.804 -7.674 1.00 20.00 H new HETATM 0 H6 SUZ A 91 -0.677 -1.682 -9.928 1.00 20.00 H new HETATM 0 H4 SUZ A 91 0.296 -4.307 -11.129 1.00 20.00 H new HETATM 0 H3 SUZ A 91 2.231 -5.904 -11.069 1.00 20.00 H new HETATM 0 H20 SUZ A 91 4.006 -3.614 -7.867 1.00 20.00 H new HETATM 0 H1B SUZ A 91 6.696 -5.598 -8.374 1.00 20.00 H new HETATM 0 H1A SUZ A 91 5.910 -4.069 -8.834 1.00 20.00 H new HETATM 0 H19 SUZ A 91 2.097 -2.043 -7.913 1.00 20.00 H new HETATM 0 H17 SUZ A 91 1.100 -4.933 -7.732 1.00 20.00 H new HETATM 0 H16 SUZ A 91 1.175 -6.403 -5.785 1.00 20.00 H new HETATM 0 H14 SUZ A 91 -2.400 -4.614 -4.196 1.00 20.00 H new HETATM 0 H11 SUZ A 91 -3.651 -1.334 -5.118 1.00 20.00 H new HETATM 0 H1 SUZ A 91 5.356 -4.956 -7.395 1.00 20.00 H new