USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 710 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 55 ASN : amide:sc= -2.65 K(o=-2.4,f=-14!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 151:sc= 0.273 (180deg=0) USER MOD Set 2.1: A 11 LYS NZ :NH3+ 134:sc= 1.19 (180deg=-0.12) USER MOD Set 2.2: A 26 GLN : amide:sc= -0.914 K(o=0.27,f=-12!) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.131 (180deg=-0.943) USER MOD Single : A 1 MET N :NH3+ 158:sc= -0.131 (180deg=-0.909) USER MOD Single : A 3 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.3) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.27) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= -2.35! (180deg=-4.14!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -4.79! C(o=-4.8!,f=-11!) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.276 K(o=-0.28,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.00168) USER MOD Single : A 43 GLN :FLIP amide:sc= -1.69 F(o=-3.5!,f=-1.7) USER MOD Single : A 47 SER OG : rot 150:sc= -0.35 USER MOD Single : A 51 ASN : amide:sc= -2.93! C(o=-2.9!,f=-5.4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc=-0.000308 (180deg=-0.232) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-2.1) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.452 USER MOD Single : A 67 ASN :FLIP amide:sc= -5.22! C(o=-6.3!,f=-5.2!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.56! USER MOD Single : A 72 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 76 GLN : amide:sc= -4.56! C(o=-4.6!,f=-6.9!) USER MOD Single : A 78 THR OG1 : rot -12:sc= -0.329 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.976 X(o=-0.98,f=-1.1) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 87 HIS : no HD1:sc= -0.0893 X(o=-0.089,f=-0.59) USER MOD Single : A 88 HIS : no HD1:sc= -0.871 K(o=-0.87,f=-2.9!) USER MOD Single : A 89 HIS :FLIP no HD1:sc= -0.0818 F(o=-0.59,f=-0.082) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.485 7.161 24.894 1.00 0.00 N ATOM 2 CA MET A 1 -7.593 6.753 23.772 1.00 0.00 C ATOM 3 C MET A 1 -8.256 5.631 22.982 1.00 0.00 C ATOM 4 O MET A 1 -9.429 5.321 23.191 1.00 0.00 O ATOM 5 CB MET A 1 -6.255 6.273 24.337 1.00 0.00 C ATOM 6 CG MET A 1 -6.505 5.372 25.547 1.00 0.00 C ATOM 7 SD MET A 1 -4.936 4.659 26.103 1.00 0.00 S ATOM 8 CE MET A 1 -4.177 6.192 26.695 1.00 0.00 C ATOM 0 H1 MET A 1 -7.922 7.630 25.632 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.209 7.819 24.540 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.948 6.319 25.293 1.00 0.00 H new ATOM 0 HA MET A 1 -7.419 7.602 23.111 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.700 5.728 23.573 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.643 7.127 24.627 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.962 5.946 26.353 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.205 4.578 25.285 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.420 5.958 27.443 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.712 6.714 25.859 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.942 6.829 27.140 1.00 0.00 H new ATOM 20 N GLY A 2 -7.496 5.022 22.076 1.00 0.00 N ATOM 21 CA GLY A 2 -8.021 3.931 21.259 1.00 0.00 C ATOM 22 C GLY A 2 -6.895 3.025 20.774 1.00 0.00 C ATOM 23 O GLY A 2 -6.463 3.114 19.625 1.00 0.00 O ATOM 0 H GLY A 2 -6.522 5.262 21.889 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.737 3.349 21.839 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.560 4.338 20.403 1.00 0.00 H new ATOM 27 N GLN A 3 -6.425 2.150 21.658 1.00 0.00 N ATOM 28 CA GLN A 3 -5.348 1.230 21.311 1.00 0.00 C ATOM 29 C GLN A 3 -5.888 0.063 20.493 1.00 0.00 C ATOM 30 O GLN A 3 -5.125 -0.734 19.949 1.00 0.00 O ATOM 31 CB GLN A 3 -4.688 0.697 22.584 1.00 0.00 C ATOM 32 CG GLN A 3 -4.101 1.863 23.382 1.00 0.00 C ATOM 33 CD GLN A 3 -2.963 2.512 22.601 1.00 0.00 C ATOM 34 OE1 GLN A 3 -2.046 1.825 22.153 1.00 0.00 O ATOM 35 NE2 GLN A 3 -2.967 3.802 22.411 1.00 0.00 N ATOM 0 H GLN A 3 -6.770 2.059 22.613 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.610 1.769 20.716 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.420 0.161 23.188 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -3.903 -0.014 22.329 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.877 2.600 23.589 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.735 1.507 24.345 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.728 4.370 22.783 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.209 4.243 21.890 1.00 0.00 H new ATOM 44 N ILE A 4 -7.213 -0.035 20.412 1.00 0.00 N ATOM 45 CA ILE A 4 -7.855 -1.111 19.657 1.00 0.00 C ATOM 46 C ILE A 4 -8.070 -0.696 18.206 1.00 0.00 C ATOM 47 O ILE A 4 -8.452 0.442 17.925 1.00 0.00 O ATOM 48 CB ILE A 4 -9.192 -1.466 20.287 1.00 0.00 C ATOM 49 CG1 ILE A 4 -8.965 -1.970 21.715 1.00 0.00 C ATOM 50 CG2 ILE A 4 -9.871 -2.565 19.462 1.00 0.00 C ATOM 51 CD1 ILE A 4 -10.305 -2.066 22.443 1.00 0.00 C ATOM 0 H ILE A 4 -7.862 0.614 20.857 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.200 -1.982 19.681 1.00 0.00 H new ATOM 0 HB ILE A 4 -9.829 -0.581 20.309 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.480 -2.946 21.694 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.297 -1.294 22.249 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -10.830 -2.819 19.914 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -10.033 -2.209 18.445 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.234 -3.449 19.440 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.142 -2.425 23.459 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -10.772 -1.082 22.476 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -10.958 -2.760 21.914 1.00 0.00 H new ATOM 63 N PHE A 5 -7.814 -1.619 17.286 1.00 0.00 N ATOM 64 CA PHE A 5 -7.974 -1.331 15.866 1.00 0.00 C ATOM 65 C PHE A 5 -9.410 -0.918 15.563 1.00 0.00 C ATOM 66 O PHE A 5 -10.360 -1.541 16.036 1.00 0.00 O ATOM 67 CB PHE A 5 -7.618 -2.569 15.040 1.00 0.00 C ATOM 68 CG PHE A 5 -6.124 -2.788 15.074 1.00 0.00 C ATOM 69 CD1 PHE A 5 -5.284 -1.999 14.278 1.00 0.00 C ATOM 70 CD2 PHE A 5 -5.578 -3.778 15.901 1.00 0.00 C ATOM 71 CE1 PHE A 5 -3.900 -2.201 14.308 1.00 0.00 C ATOM 72 CE2 PHE A 5 -4.193 -3.979 15.929 1.00 0.00 C ATOM 73 CZ PHE A 5 -3.354 -3.189 15.134 1.00 0.00 C ATOM 0 H PHE A 5 -7.497 -2.566 17.495 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.306 -0.511 15.603 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.133 -3.444 15.437 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.954 -2.441 14.011 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -5.705 -1.235 13.641 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.225 -4.386 16.516 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.253 -1.594 13.693 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.771 -4.744 16.564 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.285 -3.342 15.158 1.00 0.00 H new ATOM 83 N THR A 6 -9.558 0.139 14.771 1.00 0.00 N ATOM 84 CA THR A 6 -10.881 0.632 14.410 1.00 0.00 C ATOM 85 C THR A 6 -11.543 -0.300 13.403 1.00 0.00 C ATOM 86 O THR A 6 -10.870 -0.908 12.570 1.00 0.00 O ATOM 87 CB THR A 6 -10.773 2.035 13.808 1.00 0.00 C ATOM 88 OG1 THR A 6 -9.890 2.820 14.595 1.00 0.00 O ATOM 89 CG2 THR A 6 -12.156 2.689 13.782 1.00 0.00 C ATOM 0 H THR A 6 -8.783 0.667 14.369 1.00 0.00 H new ATOM 0 HA THR A 6 -11.490 0.669 15.313 1.00 0.00 H new ATOM 0 HB THR A 6 -10.388 1.965 12.791 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.819 3.718 14.209 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.078 3.688 13.353 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.832 2.086 13.176 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.544 2.760 14.798 1.00 0.00 H new ATOM 97 N VAL A 7 -12.864 -0.408 13.482 1.00 0.00 N ATOM 98 CA VAL A 7 -13.606 -1.267 12.569 1.00 0.00 C ATOM 99 C VAL A 7 -13.446 -0.783 11.127 1.00 0.00 C ATOM 100 O VAL A 7 -13.214 -1.579 10.219 1.00 0.00 O ATOM 101 CB VAL A 7 -15.091 -1.283 12.952 1.00 0.00 C ATOM 102 CG1 VAL A 7 -15.908 -1.949 11.839 1.00 0.00 C ATOM 103 CG2 VAL A 7 -15.271 -2.072 14.252 1.00 0.00 C ATOM 0 H VAL A 7 -13.440 0.085 14.164 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.206 -2.278 12.644 1.00 0.00 H new ATOM 0 HB VAL A 7 -15.437 -0.259 13.090 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.962 -1.957 12.117 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.782 -1.391 10.911 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.562 -2.973 11.697 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.326 -2.085 14.527 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.921 -3.094 14.109 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.695 -1.599 15.047 1.00 0.00 H new ATOM 113 N GLN A 8 -13.579 0.521 10.930 1.00 0.00 N ATOM 114 CA GLN A 8 -13.457 1.097 9.598 1.00 0.00 C ATOM 115 C GLN A 8 -12.117 0.721 8.977 1.00 0.00 C ATOM 116 O GLN A 8 -12.037 0.416 7.786 1.00 0.00 O ATOM 117 CB GLN A 8 -13.578 2.621 9.678 1.00 0.00 C ATOM 118 CG GLN A 8 -14.992 2.999 10.123 1.00 0.00 C ATOM 119 CD GLN A 8 -15.995 2.662 9.024 1.00 0.00 C ATOM 120 OE1 GLN A 8 -15.843 3.109 7.888 1.00 0.00 O ATOM 121 NE2 GLN A 8 -17.015 1.895 9.295 1.00 0.00 N ATOM 0 H GLN A 8 -13.770 1.196 11.670 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.258 0.702 8.973 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.846 3.018 10.381 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.360 3.065 8.707 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.249 2.464 11.037 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.037 4.063 10.353 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -17.139 1.525 10.238 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.688 1.665 8.564 1.00 0.00 H new ATOM 130 N GLU A 9 -11.067 0.746 9.789 1.00 0.00 N ATOM 131 CA GLU A 9 -9.735 0.404 9.306 1.00 0.00 C ATOM 132 C GLU A 9 -9.651 -1.080 8.962 1.00 0.00 C ATOM 133 O GLU A 9 -9.017 -1.466 7.981 1.00 0.00 O ATOM 134 CB GLU A 9 -8.687 0.749 10.370 1.00 0.00 C ATOM 135 CG GLU A 9 -7.284 0.698 9.755 1.00 0.00 C ATOM 136 CD GLU A 9 -6.861 -0.751 9.545 1.00 0.00 C ATOM 137 OE1 GLU A 9 -7.227 -1.578 10.364 1.00 0.00 O ATOM 138 OE2 GLU A 9 -6.175 -1.012 8.571 1.00 0.00 O ATOM 0 H GLU A 9 -11.111 0.997 10.777 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.538 0.983 8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.880 1.742 10.775 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.755 0.047 11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.275 1.230 8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.572 1.202 10.409 1.00 0.00 H new ATOM 145 N LEU A 10 -10.299 -1.906 9.775 1.00 0.00 N ATOM 146 CA LEU A 10 -10.298 -3.348 9.553 1.00 0.00 C ATOM 147 C LEU A 10 -11.045 -3.695 8.274 1.00 0.00 C ATOM 148 O LEU A 10 -10.676 -4.628 7.564 1.00 0.00 O ATOM 149 CB LEU A 10 -10.942 -4.064 10.740 1.00 0.00 C ATOM 150 CG LEU A 10 -10.017 -3.966 11.961 1.00 0.00 C ATOM 151 CD1 LEU A 10 -10.776 -4.426 13.207 1.00 0.00 C ATOM 152 CD2 LEU A 10 -8.764 -4.850 11.761 1.00 0.00 C ATOM 0 H LEU A 10 -10.830 -1.604 10.592 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.264 -3.678 9.453 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.910 -3.616 10.967 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.125 -5.110 10.492 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.698 -2.931 12.083 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.123 -4.358 14.077 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.648 -3.790 13.358 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.099 -5.459 13.076 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.118 -4.769 12.636 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.068 -5.888 11.629 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.221 -4.516 10.877 1.00 0.00 H new ATOM 164 N LYS A 11 -12.095 -2.939 7.990 1.00 0.00 N ATOM 165 CA LYS A 11 -12.886 -3.177 6.793 1.00 0.00 C ATOM 166 C LYS A 11 -12.028 -3.056 5.542 1.00 0.00 C ATOM 167 O LYS A 11 -12.172 -3.842 4.609 1.00 0.00 O ATOM 168 CB LYS A 11 -14.047 -2.178 6.716 1.00 0.00 C ATOM 169 CG LYS A 11 -15.140 -2.577 7.709 1.00 0.00 C ATOM 170 CD LYS A 11 -16.328 -1.624 7.569 1.00 0.00 C ATOM 171 CE LYS A 11 -17.493 -2.131 8.423 1.00 0.00 C ATOM 172 NZ LYS A 11 -18.148 -3.278 7.733 1.00 0.00 N ATOM 0 H LYS A 11 -12.417 -2.162 8.567 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.283 -4.190 6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.689 -1.173 6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.453 -2.155 5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.459 -3.603 7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.751 -2.544 8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.042 -0.621 7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.632 -1.556 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.132 -2.440 9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.214 -1.330 8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.309 -4.047 8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -19.059 -2.970 7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.534 -3.618 6.966 1.00 0.00 H new ATOM 186 N GLU A 12 -11.142 -2.069 5.525 1.00 0.00 N ATOM 187 CA GLU A 12 -10.278 -1.861 4.369 1.00 0.00 C ATOM 188 C GLU A 12 -9.445 -3.106 4.084 1.00 0.00 C ATOM 189 O GLU A 12 -9.485 -3.651 2.981 1.00 0.00 O ATOM 190 CB GLU A 12 -9.346 -0.675 4.634 1.00 0.00 C ATOM 191 CG GLU A 12 -8.504 -0.392 3.387 1.00 0.00 C ATOM 192 CD GLU A 12 -7.600 0.812 3.629 1.00 0.00 C ATOM 193 OE1 GLU A 12 -7.854 1.540 4.574 1.00 0.00 O ATOM 194 OE2 GLU A 12 -6.667 0.989 2.863 1.00 0.00 O ATOM 0 H GLU A 12 -11.003 -1.407 6.288 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.905 -1.655 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.930 0.207 4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.696 -0.893 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.901 -1.266 3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.155 -0.202 2.534 1.00 0.00 H new ATOM 201 N ARG A 13 -8.690 -3.551 5.082 1.00 0.00 N ATOM 202 CA ARG A 13 -7.850 -4.734 4.923 1.00 0.00 C ATOM 203 C ARG A 13 -8.706 -5.994 4.822 1.00 0.00 C ATOM 204 O ARG A 13 -8.392 -6.913 4.065 1.00 0.00 O ATOM 205 CB ARG A 13 -6.894 -4.858 6.109 1.00 0.00 C ATOM 206 CG ARG A 13 -5.866 -3.726 6.055 1.00 0.00 C ATOM 207 CD ARG A 13 -4.990 -3.771 7.308 1.00 0.00 C ATOM 208 NE ARG A 13 -4.201 -4.996 7.330 1.00 0.00 N ATOM 209 CZ ARG A 13 -3.458 -5.317 8.384 1.00 0.00 C ATOM 210 NH1 ARG A 13 -3.429 -4.530 9.425 1.00 0.00 N ATOM 211 NH2 ARG A 13 -2.757 -6.418 8.380 1.00 0.00 N ATOM 0 H ARG A 13 -8.641 -3.115 6.003 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.276 -4.626 4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.451 -4.814 7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.389 -5.824 6.084 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.248 -3.824 5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.373 -2.763 5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.329 -2.904 7.329 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.615 -3.717 8.199 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.219 -5.618 6.522 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.976 -3.669 9.429 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.859 -4.776 10.234 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.779 -7.034 7.567 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.187 -6.663 9.190 1.00 0.00 H new ATOM 225 N ALA A 14 -9.786 -6.028 5.593 1.00 0.00 N ATOM 226 CA ALA A 14 -10.685 -7.175 5.594 1.00 0.00 C ATOM 227 C ALA A 14 -11.510 -7.211 4.313 1.00 0.00 C ATOM 228 O ALA A 14 -12.223 -8.182 4.053 1.00 0.00 O ATOM 229 CB ALA A 14 -11.616 -7.120 6.806 1.00 0.00 C ATOM 0 H ALA A 14 -10.060 -5.276 6.225 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.081 -8.081 5.649 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.282 -7.983 6.793 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.023 -7.132 7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.208 -6.205 6.769 1.00 0.00 H new ATOM 235 N LYS A 15 -11.420 -6.144 3.525 1.00 0.00 N ATOM 236 CA LYS A 15 -12.173 -6.073 2.279 1.00 0.00 C ATOM 237 C LYS A 15 -11.734 -7.163 1.320 1.00 0.00 C ATOM 238 O LYS A 15 -12.578 -7.854 0.750 1.00 0.00 O ATOM 239 CB LYS A 15 -11.963 -4.711 1.613 1.00 0.00 C ATOM 240 CG LYS A 15 -12.837 -4.605 0.365 1.00 0.00 C ATOM 241 CD LYS A 15 -12.681 -3.210 -0.242 1.00 0.00 C ATOM 242 CE LYS A 15 -13.574 -3.094 -1.474 1.00 0.00 C ATOM 243 NZ LYS A 15 -13.451 -1.725 -2.053 1.00 0.00 N ATOM 0 H LYS A 15 -10.842 -5.328 3.723 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.228 -6.210 2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.212 -3.912 2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.914 -4.585 1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.548 -5.365 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.881 -4.789 0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.952 -2.450 0.491 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.641 -3.034 -0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.288 -3.840 -2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.611 -3.294 -1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.060 -1.647 -2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.745 -1.021 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.462 -1.551 -2.325 1.00 0.00 H new ATOM 257 N VAL A 16 -10.410 -7.316 1.148 1.00 0.00 N ATOM 258 CA VAL A 16 -9.853 -8.339 0.251 1.00 0.00 C ATOM 259 C VAL A 16 -10.836 -8.663 -0.875 1.00 0.00 C ATOM 260 O VAL A 16 -10.969 -7.909 -1.836 1.00 0.00 O ATOM 261 CB VAL A 16 -9.518 -9.613 1.045 1.00 0.00 C ATOM 262 CG1 VAL A 16 -8.145 -9.461 1.707 1.00 0.00 C ATOM 263 CG2 VAL A 16 -10.573 -9.829 2.132 1.00 0.00 C ATOM 0 H VAL A 16 -9.708 -6.745 1.618 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.938 -7.947 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.506 -10.466 0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.910 -10.365 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.387 -9.303 0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.160 -8.607 2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.336 -10.732 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.581 -8.973 2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.554 -9.937 1.670 1.00 0.00 H new ATOM 273 N PHE A 17 -11.536 -9.786 -0.725 1.00 0.00 N ATOM 274 CA PHE A 17 -12.525 -10.208 -1.713 1.00 0.00 C ATOM 275 C PHE A 17 -13.931 -9.844 -1.242 1.00 0.00 C ATOM 276 O PHE A 17 -14.245 -9.942 -0.054 1.00 0.00 O ATOM 277 CB PHE A 17 -12.429 -11.718 -1.931 1.00 0.00 C ATOM 278 CG PHE A 17 -12.772 -12.441 -0.650 1.00 0.00 C ATOM 279 CD1 PHE A 17 -11.770 -12.721 0.286 1.00 0.00 C ATOM 280 CD2 PHE A 17 -14.091 -12.836 -0.404 1.00 0.00 C ATOM 281 CE1 PHE A 17 -12.089 -13.395 1.472 1.00 0.00 C ATOM 282 CE2 PHE A 17 -14.412 -13.509 0.782 1.00 0.00 C ATOM 283 CZ PHE A 17 -13.410 -13.789 1.719 1.00 0.00 C ATOM 0 H PHE A 17 -11.437 -10.418 0.069 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.323 -9.694 -2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -13.109 -12.024 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.422 -11.985 -2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.751 -12.418 0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.863 -12.622 -1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.317 -13.611 2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -15.431 -13.811 0.973 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.656 -14.309 2.633 1.00 0.00 H new ATOM 293 N ALA A 18 -14.766 -9.418 -2.183 1.00 0.00 N ATOM 294 CA ALA A 18 -16.134 -9.031 -1.858 1.00 0.00 C ATOM 295 C ALA A 18 -16.790 -10.088 -0.995 1.00 0.00 C ATOM 296 O ALA A 18 -16.776 -11.274 -1.331 1.00 0.00 O ATOM 297 CB ALA A 18 -16.944 -8.850 -3.142 1.00 0.00 C ATOM 0 H ALA A 18 -14.523 -9.332 -3.170 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.106 -8.090 -1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.965 -8.561 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.487 -8.072 -3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.959 -9.787 -3.698 1.00 0.00 H new ATOM 303 N LYS A 19 -17.371 -9.656 0.126 1.00 0.00 N ATOM 304 CA LYS A 19 -18.031 -10.581 1.038 1.00 0.00 C ATOM 305 C LYS A 19 -19.548 -10.396 1.007 1.00 0.00 C ATOM 306 O LYS A 19 -20.038 -9.285 0.789 1.00 0.00 O ATOM 307 CB LYS A 19 -17.526 -10.365 2.462 1.00 0.00 C ATOM 308 CG LYS A 19 -15.994 -10.585 2.505 1.00 0.00 C ATOM 309 CD LYS A 19 -15.609 -11.347 3.772 1.00 0.00 C ATOM 310 CE LYS A 19 -14.100 -11.249 3.984 1.00 0.00 C ATOM 311 NZ LYS A 19 -13.413 -11.279 2.661 1.00 0.00 N ATOM 0 H LYS A 19 -17.396 -8.679 0.419 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.795 -11.595 0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -17.769 -9.356 2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.023 -11.055 3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.674 -11.142 1.625 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -15.480 -9.624 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.136 -10.934 4.632 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.908 -12.392 3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.855 -10.328 4.513 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.754 -12.075 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.448 -11.648 2.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.942 -11.893 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.370 -10.316 2.270 1.00 0.00 H new ATOM 325 N PRO A 20 -20.298 -11.447 1.235 1.00 0.00 N ATOM 326 CA PRO A 20 -21.787 -11.373 1.246 1.00 0.00 C ATOM 327 C PRO A 20 -22.304 -10.233 2.124 1.00 0.00 C ATOM 328 O PRO A 20 -21.776 -9.977 3.207 1.00 0.00 O ATOM 329 CB PRO A 20 -22.211 -12.736 1.824 1.00 0.00 C ATOM 330 CG PRO A 20 -21.079 -13.669 1.535 1.00 0.00 C ATOM 331 CD PRO A 20 -19.814 -12.819 1.489 1.00 0.00 C ATOM 0 HA PRO A 20 -22.193 -11.174 0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -22.396 -12.666 2.896 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -23.134 -13.086 1.363 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -21.003 -14.436 2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -21.234 -14.184 0.587 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -19.262 -12.878 2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.139 -13.154 0.701 1.00 0.00 H new ATOM 339 N ILE A 21 -23.342 -9.555 1.647 1.00 0.00 N ATOM 340 CA ILE A 21 -23.930 -8.446 2.391 1.00 0.00 C ATOM 341 C ILE A 21 -24.845 -8.966 3.493 1.00 0.00 C ATOM 342 O ILE A 21 -25.520 -9.981 3.323 1.00 0.00 O ATOM 343 CB ILE A 21 -24.725 -7.547 1.442 1.00 0.00 C ATOM 344 CG1 ILE A 21 -25.780 -8.384 0.710 1.00 0.00 C ATOM 345 CG2 ILE A 21 -23.780 -6.910 0.423 1.00 0.00 C ATOM 346 CD1 ILE A 21 -26.645 -7.468 -0.158 1.00 0.00 C ATOM 0 H ILE A 21 -23.792 -9.752 0.753 1.00 0.00 H new ATOM 0 HA ILE A 21 -23.125 -7.870 2.848 1.00 0.00 H new ATOM 0 HB ILE A 21 -25.217 -6.762 2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -25.295 -9.139 0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -26.403 -8.915 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -24.350 -6.270 -0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -23.032 -6.313 0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -23.284 -7.692 -0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -27.395 -8.063 -0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -27.140 -6.730 0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -26.016 -6.958 -0.887 1.00 0.00 H new ATOM 358 N GLY A 22 -24.860 -8.265 4.622 1.00 0.00 N ATOM 359 CA GLY A 22 -25.696 -8.665 5.748 1.00 0.00 C ATOM 360 C GLY A 22 -25.499 -10.141 6.077 1.00 0.00 C ATOM 361 O GLY A 22 -26.009 -11.017 5.379 1.00 0.00 O ATOM 0 H GLY A 22 -24.307 -7.423 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.452 -8.059 6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.744 -8.478 5.512 1.00 0.00 H new ATOM 365 N ALA A 23 -24.754 -10.410 7.143 1.00 0.00 N ATOM 366 CA ALA A 23 -24.492 -11.784 7.552 1.00 0.00 C ATOM 367 C ALA A 23 -24.008 -11.830 8.998 1.00 0.00 C ATOM 368 O ALA A 23 -23.770 -10.792 9.616 1.00 0.00 O ATOM 369 CB ALA A 23 -23.434 -12.406 6.638 1.00 0.00 C ATOM 0 H ALA A 23 -24.324 -9.700 7.736 1.00 0.00 H new ATOM 0 HA ALA A 23 -25.420 -12.351 7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -23.243 -13.433 6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.793 -12.399 5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -22.512 -11.829 6.704 1.00 0.00 H new ATOM 375 N SER A 24 -23.869 -13.039 9.531 1.00 0.00 N ATOM 376 CA SER A 24 -23.417 -13.212 10.907 1.00 0.00 C ATOM 377 C SER A 24 -21.931 -12.895 11.028 1.00 0.00 C ATOM 378 O SER A 24 -21.414 -12.703 12.129 1.00 0.00 O ATOM 379 CB SER A 24 -23.675 -14.646 11.366 1.00 0.00 C ATOM 380 OG SER A 24 -23.404 -14.748 12.758 1.00 0.00 O ATOM 0 H SER A 24 -24.061 -13.909 9.035 1.00 0.00 H new ATOM 0 HA SER A 24 -23.975 -12.523 11.541 1.00 0.00 H new ATOM 0 HB2 SER A 24 -24.709 -14.925 11.163 1.00 0.00 H new ATOM 0 HB3 SER A 24 -23.043 -15.338 10.809 1.00 0.00 H new ATOM 0 HG SER A 24 -23.570 -15.666 13.057 1.00 0.00 H new ATOM 386 N TYR A 25 -21.248 -12.843 9.889 1.00 0.00 N ATOM 387 CA TYR A 25 -19.821 -12.551 9.877 1.00 0.00 C ATOM 388 C TYR A 25 -19.569 -11.104 10.289 1.00 0.00 C ATOM 389 O TYR A 25 -18.571 -10.803 10.937 1.00 0.00 O ATOM 390 CB TYR A 25 -19.246 -12.792 8.480 1.00 0.00 C ATOM 391 CG TYR A 25 -17.766 -12.490 8.486 1.00 0.00 C ATOM 392 CD1 TYR A 25 -16.857 -13.454 8.940 1.00 0.00 C ATOM 393 CD2 TYR A 25 -17.301 -11.249 8.036 1.00 0.00 C ATOM 394 CE1 TYR A 25 -15.485 -13.176 8.945 1.00 0.00 C ATOM 395 CE2 TYR A 25 -15.930 -10.970 8.040 1.00 0.00 C ATOM 396 CZ TYR A 25 -15.021 -11.934 8.494 1.00 0.00 C ATOM 397 OH TYR A 25 -13.669 -11.659 8.498 1.00 0.00 O ATOM 0 H TYR A 25 -21.658 -12.998 8.968 1.00 0.00 H new ATOM 0 HA TYR A 25 -19.329 -13.213 10.589 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -19.416 -13.826 8.178 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -19.754 -12.160 7.752 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -17.215 -14.412 9.286 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -18.002 -10.506 7.685 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -14.785 -13.919 9.297 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -15.573 -10.012 7.693 1.00 0.00 H new ATOM 0 HH TYR A 25 -13.518 -10.754 8.153 1.00 0.00 H new ATOM 407 N GLN A 26 -20.478 -10.214 9.905 1.00 0.00 N ATOM 408 CA GLN A 26 -20.338 -8.800 10.236 1.00 0.00 C ATOM 409 C GLN A 26 -20.308 -8.606 11.750 1.00 0.00 C ATOM 410 O GLN A 26 -19.790 -7.607 12.249 1.00 0.00 O ATOM 411 CB GLN A 26 -21.509 -8.010 9.645 1.00 0.00 C ATOM 412 CG GLN A 26 -21.186 -6.514 9.670 1.00 0.00 C ATOM 413 CD GLN A 26 -20.106 -6.199 8.641 1.00 0.00 C ATOM 414 OE1 GLN A 26 -19.219 -5.386 8.899 1.00 0.00 O ATOM 415 NE2 GLN A 26 -20.126 -6.801 7.483 1.00 0.00 N ATOM 0 H GLN A 26 -21.314 -10.444 9.368 1.00 0.00 H new ATOM 0 HA GLN A 26 -19.401 -8.437 9.814 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.699 -8.334 8.622 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.417 -8.206 10.215 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.085 -5.935 9.456 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -20.849 -6.222 10.665 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -20.862 -7.475 7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -19.406 -6.598 6.790 1.00 0.00 H new ATOM 424 N GLY A 27 -20.864 -9.569 12.476 1.00 0.00 N ATOM 425 CA GLY A 27 -20.894 -9.498 13.933 1.00 0.00 C ATOM 426 C GLY A 27 -19.482 -9.524 14.512 1.00 0.00 C ATOM 427 O GLY A 27 -19.263 -9.127 15.656 1.00 0.00 O ATOM 0 H GLY A 27 -21.298 -10.404 12.083 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.402 -8.586 14.246 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.469 -10.335 14.330 1.00 0.00 H new ATOM 431 N ILE A 28 -18.531 -9.998 13.718 1.00 0.00 N ATOM 432 CA ILE A 28 -17.145 -10.080 14.164 1.00 0.00 C ATOM 433 C ILE A 28 -16.571 -8.685 14.377 1.00 0.00 C ATOM 434 O ILE A 28 -15.618 -8.506 15.130 1.00 0.00 O ATOM 435 CB ILE A 28 -16.303 -10.831 13.125 1.00 0.00 C ATOM 436 CG1 ILE A 28 -14.939 -11.182 13.734 1.00 0.00 C ATOM 437 CG2 ILE A 28 -16.099 -9.952 11.876 1.00 0.00 C ATOM 438 CD1 ILE A 28 -14.186 -12.117 12.787 1.00 0.00 C ATOM 0 H ILE A 28 -18.692 -10.330 12.767 1.00 0.00 H new ATOM 0 HA ILE A 28 -17.117 -10.621 15.110 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.822 -11.745 12.835 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -14.360 -10.274 13.904 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -15.074 -11.660 14.704 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -15.500 -10.494 11.144 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -17.068 -9.706 11.442 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -15.584 -9.033 12.158 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -13.217 -12.368 13.218 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -14.764 -13.029 12.640 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -14.039 -11.622 11.827 1.00 0.00 H new ATOM 450 N LEU A 29 -17.152 -7.698 13.697 1.00 0.00 N ATOM 451 CA LEU A 29 -16.693 -6.316 13.821 1.00 0.00 C ATOM 452 C LEU A 29 -17.482 -5.588 14.901 1.00 0.00 C ATOM 453 O LEU A 29 -16.969 -4.682 15.555 1.00 0.00 O ATOM 454 CB LEU A 29 -16.862 -5.585 12.488 1.00 0.00 C ATOM 455 CG LEU A 29 -15.875 -6.153 11.462 1.00 0.00 C ATOM 456 CD1 LEU A 29 -16.208 -5.600 10.074 1.00 0.00 C ATOM 457 CD2 LEU A 29 -14.426 -5.778 11.842 1.00 0.00 C ATOM 0 H LEU A 29 -17.937 -7.828 13.058 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.639 -6.328 14.097 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -17.884 -5.699 12.126 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.688 -4.517 12.622 1.00 0.00 H new ATOM 0 HG LEU A 29 -15.961 -7.240 11.452 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -15.507 -6.003 9.344 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -17.223 -5.889 9.801 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -16.132 -4.513 10.088 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.738 -6.189 11.103 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.326 -4.693 11.867 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.190 -6.187 12.824 1.00 0.00 H new ATOM 469 N ASP A 30 -18.734 -5.991 15.081 1.00 0.00 N ATOM 470 CA ASP A 30 -19.591 -5.373 16.086 1.00 0.00 C ATOM 471 C ASP A 30 -19.024 -5.575 17.489 1.00 0.00 C ATOM 472 O ASP A 30 -19.155 -4.707 18.351 1.00 0.00 O ATOM 473 CB ASP A 30 -20.998 -5.964 16.012 1.00 0.00 C ATOM 474 CG ASP A 30 -21.951 -5.147 16.878 1.00 0.00 C ATOM 475 OD1 ASP A 30 -21.483 -4.526 17.819 1.00 0.00 O ATOM 476 OD2 ASP A 30 -23.136 -5.152 16.586 1.00 0.00 O ATOM 0 H ASP A 30 -19.177 -6.739 14.547 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.634 -4.303 15.880 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.346 -5.969 14.979 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.985 -7.000 16.349 1.00 0.00 H new ATOM 481 N GLN A 31 -18.402 -6.726 17.710 1.00 0.00 N ATOM 482 CA GLN A 31 -17.831 -7.033 19.015 1.00 0.00 C ATOM 483 C GLN A 31 -16.718 -6.052 19.357 1.00 0.00 C ATOM 484 O GLN A 31 -16.566 -5.657 20.511 1.00 0.00 O ATOM 485 CB GLN A 31 -17.271 -8.461 19.013 1.00 0.00 C ATOM 486 CG GLN A 31 -16.043 -8.529 18.097 1.00 0.00 C ATOM 487 CD GLN A 31 -15.811 -9.965 17.632 1.00 0.00 C ATOM 488 OE1 GLN A 31 -16.476 -10.884 18.107 1.00 0.00 O ATOM 489 NE2 GLN A 31 -14.899 -10.213 16.731 1.00 0.00 N ATOM 0 H GLN A 31 -18.281 -7.457 17.009 1.00 0.00 H new ATOM 0 HA GLN A 31 -18.617 -6.948 19.765 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -16.999 -8.757 20.026 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -18.033 -9.161 18.670 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.187 -7.878 17.234 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.164 -8.164 18.628 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.349 -9.449 16.339 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.737 -11.171 16.420 1.00 0.00 H new ATOM 498 N LEU A 32 -15.944 -5.659 18.354 1.00 0.00 N ATOM 499 CA LEU A 32 -14.850 -4.721 18.578 1.00 0.00 C ATOM 500 C LEU A 32 -15.377 -3.395 19.107 1.00 0.00 C ATOM 501 O LEU A 32 -14.808 -2.818 20.033 1.00 0.00 O ATOM 502 CB LEU A 32 -14.091 -4.493 17.259 1.00 0.00 C ATOM 503 CG LEU A 32 -13.064 -5.623 17.036 1.00 0.00 C ATOM 504 CD1 LEU A 32 -12.784 -5.788 15.535 1.00 0.00 C ATOM 505 CD2 LEU A 32 -11.755 -5.271 17.764 1.00 0.00 C ATOM 0 H LEU A 32 -16.050 -5.970 17.388 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.174 -5.143 19.321 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.794 -4.461 16.427 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.583 -3.529 17.285 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.466 -6.557 17.429 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.058 -6.587 15.386 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.710 -6.038 15.017 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.385 -4.856 15.135 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.027 -6.067 17.609 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.359 -4.335 17.369 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.950 -5.161 18.831 1.00 0.00 H new ATOM 517 N ASP A 33 -16.464 -2.923 18.520 1.00 0.00 N ATOM 518 CA ASP A 33 -17.062 -1.668 18.948 1.00 0.00 C ATOM 519 C ASP A 33 -17.551 -1.785 20.386 1.00 0.00 C ATOM 520 O ASP A 33 -17.494 -0.826 21.154 1.00 0.00 O ATOM 521 CB ASP A 33 -18.226 -1.302 18.027 1.00 0.00 C ATOM 522 CG ASP A 33 -17.695 -0.848 16.671 1.00 0.00 C ATOM 523 OD1 ASP A 33 -16.515 -0.547 16.587 1.00 0.00 O ATOM 524 OD2 ASP A 33 -18.477 -0.803 15.736 1.00 0.00 O ATOM 0 H ASP A 33 -16.948 -3.386 17.751 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.309 -0.882 18.895 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.884 -2.162 17.900 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.822 -0.508 18.478 1.00 0.00 H new ATOM 529 N LEU A 34 -18.037 -2.970 20.738 1.00 0.00 N ATOM 530 CA LEU A 34 -18.542 -3.209 22.082 1.00 0.00 C ATOM 531 C LEU A 34 -17.414 -3.088 23.104 1.00 0.00 C ATOM 532 O LEU A 34 -17.617 -2.592 24.212 1.00 0.00 O ATOM 533 CB LEU A 34 -19.178 -4.600 22.174 1.00 0.00 C ATOM 534 CG LEU A 34 -19.867 -4.769 23.536 1.00 0.00 C ATOM 535 CD1 LEU A 34 -21.050 -3.785 23.662 1.00 0.00 C ATOM 536 CD2 LEU A 34 -20.374 -6.207 23.673 1.00 0.00 C ATOM 0 H LEU A 34 -18.091 -3.775 20.114 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.301 -2.458 22.301 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.903 -4.732 21.371 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -18.415 -5.368 22.044 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.149 -4.557 24.328 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -21.530 -3.915 24.632 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -20.684 -2.762 23.573 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -21.773 -3.982 22.870 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.864 -6.330 24.639 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.086 -6.419 22.876 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -19.534 -6.897 23.602 1.00 0.00 H new ATOM 548 N VAL A 35 -16.231 -3.556 22.725 1.00 0.00 N ATOM 549 CA VAL A 35 -15.082 -3.506 23.621 1.00 0.00 C ATOM 550 C VAL A 35 -14.801 -2.068 24.042 1.00 0.00 C ATOM 551 O VAL A 35 -14.268 -1.822 25.124 1.00 0.00 O ATOM 552 CB VAL A 35 -13.849 -4.082 22.915 1.00 0.00 C ATOM 553 CG1 VAL A 35 -12.615 -3.914 23.807 1.00 0.00 C ATOM 554 CG2 VAL A 35 -14.068 -5.572 22.629 1.00 0.00 C ATOM 0 H VAL A 35 -16.043 -3.971 21.812 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.305 -4.098 24.508 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.694 -3.549 21.977 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.741 -4.325 23.301 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.453 -2.855 24.008 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.771 -4.442 24.747 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.190 -5.979 22.127 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.228 -6.103 23.567 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.942 -5.695 21.989 1.00 0.00 H new ATOM 564 N HIS A 36 -15.160 -1.122 23.182 1.00 0.00 N ATOM 565 CA HIS A 36 -14.938 0.288 23.481 1.00 0.00 C ATOM 566 C HIS A 36 -16.030 0.821 24.398 1.00 0.00 C ATOM 567 O HIS A 36 -15.750 1.527 25.367 1.00 0.00 O ATOM 568 CB HIS A 36 -14.924 1.098 22.184 1.00 0.00 C ATOM 569 CG HIS A 36 -14.724 2.554 22.504 1.00 0.00 C ATOM 570 ND1 HIS A 36 -13.505 3.057 22.932 1.00 0.00 N ATOM 571 CD2 HIS A 36 -15.577 3.629 22.461 1.00 0.00 C ATOM 572 CE1 HIS A 36 -13.657 4.379 23.129 1.00 0.00 C ATOM 573 NE2 HIS A 36 -14.902 4.780 22.857 1.00 0.00 N ATOM 0 H HIS A 36 -15.602 -1.303 22.281 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.976 0.385 23.985 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.126 0.745 21.531 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -15.861 0.958 21.645 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -16.615 3.588 22.165 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.869 5.036 23.466 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -15.277 5.726 22.925 1.00 0.00 H new ATOM 581 N GLN A 37 -17.279 0.484 24.087 1.00 0.00 N ATOM 582 CA GLN A 37 -18.407 0.943 24.893 1.00 0.00 C ATOM 583 C GLN A 37 -18.621 0.015 26.088 1.00 0.00 C ATOM 584 O GLN A 37 -19.425 0.299 26.975 1.00 0.00 O ATOM 585 CB GLN A 37 -19.678 0.984 24.031 1.00 0.00 C ATOM 586 CG GLN A 37 -20.724 1.893 24.686 1.00 0.00 C ATOM 587 CD GLN A 37 -20.269 3.347 24.603 1.00 0.00 C ATOM 588 OE1 GLN A 37 -19.740 3.774 23.577 1.00 0.00 O ATOM 589 NE2 GLN A 37 -20.443 4.135 25.629 1.00 0.00 N ATOM 0 H GLN A 37 -17.534 -0.100 23.290 1.00 0.00 H new ATOM 0 HA GLN A 37 -18.189 1.945 25.263 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -19.439 1.351 23.033 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -20.081 -0.022 23.913 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -21.686 1.774 24.187 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -20.867 1.606 25.728 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -20.882 3.778 26.478 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -20.140 5.108 25.582 1.00 0.00 H new ATOM 598 N ALA A 38 -17.898 -1.096 26.106 1.00 0.00 N ATOM 599 CA ALA A 38 -18.024 -2.053 27.197 1.00 0.00 C ATOM 600 C ALA A 38 -17.428 -1.483 28.482 1.00 0.00 C ATOM 601 O ALA A 38 -16.435 -0.759 28.449 1.00 0.00 O ATOM 602 CB ALA A 38 -17.305 -3.354 26.833 1.00 0.00 C ATOM 0 H ALA A 38 -17.224 -1.356 25.385 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.083 -2.255 27.359 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.403 -4.065 27.653 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.750 -3.776 25.932 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.249 -3.149 26.655 1.00 0.00 H new ATOM 608 N LYS A 39 -18.043 -1.818 29.610 1.00 0.00 N ATOM 609 CA LYS A 39 -17.564 -1.335 30.901 1.00 0.00 C ATOM 610 C LYS A 39 -16.286 -2.051 31.293 1.00 0.00 C ATOM 611 O LYS A 39 -15.978 -3.114 30.767 1.00 0.00 O ATOM 612 CB LYS A 39 -18.626 -1.570 31.972 1.00 0.00 C ATOM 613 CG LYS A 39 -19.988 -1.005 31.493 1.00 0.00 C ATOM 614 CD LYS A 39 -20.899 -2.152 31.029 1.00 0.00 C ATOM 615 CE LYS A 39 -21.553 -2.815 32.247 1.00 0.00 C ATOM 616 NZ LYS A 39 -22.749 -2.026 32.647 1.00 0.00 N ATOM 0 H LYS A 39 -18.867 -2.417 29.658 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.362 -0.267 30.817 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -18.717 -2.636 32.179 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.329 -1.088 32.904 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -20.467 -0.454 32.302 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -19.832 -0.301 30.676 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -21.666 -1.771 30.355 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -20.319 -2.887 30.470 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -21.841 -3.839 32.009 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -20.844 -2.867 33.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -23.007 -2.259 33.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -22.534 -1.011 32.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -23.543 -2.256 32.016 1.00 0.00 H new ATOM 630 N GLY A 40 -15.545 -1.462 32.220 1.00 0.00 N ATOM 631 CA GLY A 40 -14.294 -2.057 32.671 1.00 0.00 C ATOM 632 C GLY A 40 -14.436 -3.565 32.858 1.00 0.00 C ATOM 633 O GLY A 40 -13.726 -4.344 32.230 1.00 0.00 O ATOM 0 H GLY A 40 -15.785 -0.580 32.672 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.508 -1.850 31.945 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.988 -1.598 33.611 1.00 0.00 H new ATOM 637 N ARG A 41 -15.355 -3.967 33.727 1.00 0.00 N ATOM 638 CA ARG A 41 -15.575 -5.387 33.988 1.00 0.00 C ATOM 639 C ARG A 41 -16.086 -6.098 32.740 1.00 0.00 C ATOM 640 O ARG A 41 -15.606 -7.175 32.388 1.00 0.00 O ATOM 641 CB ARG A 41 -16.606 -5.536 35.108 1.00 0.00 C ATOM 642 CG ARG A 41 -16.024 -5.003 36.416 1.00 0.00 C ATOM 643 CD ARG A 41 -17.135 -4.909 37.460 1.00 0.00 C ATOM 644 NE ARG A 41 -18.052 -3.826 37.125 1.00 0.00 N ATOM 645 CZ ARG A 41 -17.693 -2.553 37.258 1.00 0.00 C ATOM 646 NH1 ARG A 41 -16.501 -2.252 37.698 1.00 0.00 N ATOM 647 NH2 ARG A 41 -18.533 -1.602 36.950 1.00 0.00 N ATOM 0 H ARG A 41 -15.956 -3.338 34.259 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.627 -5.838 34.281 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.515 -4.991 34.854 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -16.884 -6.584 35.223 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -15.231 -5.662 36.770 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.576 -4.022 36.255 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -17.678 -5.853 37.509 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.703 -4.738 38.446 1.00 0.00 H new ATOM 0 HE ARG A 41 -18.986 -4.049 36.782 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.844 -2.994 37.940 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.227 -1.275 37.800 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -19.465 -1.836 36.607 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.257 -0.625 37.052 1.00 0.00 H new ATOM 661 N ASP A 42 -17.061 -5.492 32.076 1.00 0.00 N ATOM 662 CA ASP A 42 -17.634 -6.082 30.871 1.00 0.00 C ATOM 663 C ASP A 42 -16.604 -6.122 29.745 1.00 0.00 C ATOM 664 O ASP A 42 -16.735 -6.900 28.799 1.00 0.00 O ATOM 665 CB ASP A 42 -18.854 -5.275 30.433 1.00 0.00 C ATOM 666 CG ASP A 42 -19.647 -6.058 29.387 1.00 0.00 C ATOM 667 OD1 ASP A 42 -19.166 -7.098 28.965 1.00 0.00 O ATOM 668 OD2 ASP A 42 -20.719 -5.605 29.019 1.00 0.00 O ATOM 0 H ASP A 42 -17.470 -4.598 32.348 1.00 0.00 H new ATOM 0 HA ASP A 42 -17.937 -7.105 31.095 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -19.486 -5.058 31.294 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.538 -4.317 30.020 1.00 0.00 H new ATOM 673 N GLN A 43 -15.586 -5.279 29.853 1.00 0.00 N ATOM 674 CA GLN A 43 -14.542 -5.222 28.840 1.00 0.00 C ATOM 675 C GLN A 43 -13.717 -6.505 28.852 1.00 0.00 C ATOM 676 O GLN A 43 -13.313 -7.008 27.805 1.00 0.00 O ATOM 677 CB GLN A 43 -13.629 -4.019 29.094 1.00 0.00 C ATOM 678 CG GLN A 43 -12.670 -3.850 27.916 1.00 0.00 C ATOM 679 CD GLN A 43 -11.787 -2.627 28.135 1.00 0.00 C ATOM 680 OE1 GLN A 43 -11.027 -2.562 29.194 1.00 0.00 O flip ATOM 681 NE2 GLN A 43 -11.791 -1.704 27.321 1.00 0.00 N flip ATOM 0 H GLN A 43 -15.461 -4.628 30.628 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.014 -5.116 27.863 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.226 -3.116 29.223 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.067 -4.164 30.017 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.051 -4.741 27.809 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.234 -3.741 26.990 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.385 -1.756 26.494 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.200 -0.887 27.474 1.00 0.00 H new ATOM 690 N ILE A 44 -13.471 -7.026 30.046 1.00 0.00 N ATOM 691 CA ILE A 44 -12.690 -8.249 30.191 1.00 0.00 C ATOM 692 C ILE A 44 -13.433 -9.423 29.552 1.00 0.00 C ATOM 693 O ILE A 44 -12.831 -10.247 28.867 1.00 0.00 O ATOM 694 CB ILE A 44 -12.429 -8.538 31.682 1.00 0.00 C ATOM 695 CG1 ILE A 44 -11.277 -7.654 32.190 1.00 0.00 C ATOM 696 CG2 ILE A 44 -12.051 -10.019 31.872 1.00 0.00 C ATOM 697 CD1 ILE A 44 -11.783 -6.227 32.417 1.00 0.00 C ATOM 0 H ILE A 44 -13.798 -6.624 30.925 1.00 0.00 H new ATOM 0 HA ILE A 44 -11.733 -8.118 29.685 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.335 -8.319 32.247 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.876 -8.060 33.119 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.462 -7.650 31.466 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.868 -10.215 32.928 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -12.867 -10.651 31.522 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -11.150 -10.241 31.300 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.964 -5.604 32.777 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.162 -5.822 31.479 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.583 -6.238 33.157 1.00 0.00 H new ATOM 709 N ALA A 45 -14.731 -9.494 29.794 1.00 0.00 N ATOM 710 CA ALA A 45 -15.533 -10.579 29.247 1.00 0.00 C ATOM 711 C ALA A 45 -15.408 -10.623 27.727 1.00 0.00 C ATOM 712 O ALA A 45 -15.372 -11.699 27.129 1.00 0.00 O ATOM 713 CB ALA A 45 -16.999 -10.385 29.636 1.00 0.00 C ATOM 0 H ALA A 45 -15.249 -8.822 30.359 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.169 -11.521 29.656 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -17.595 -11.199 29.224 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.090 -10.382 30.722 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.358 -9.436 29.239 1.00 0.00 H new ATOM 719 N ALA A 46 -15.334 -9.450 27.109 1.00 0.00 N ATOM 720 CA ALA A 46 -15.202 -9.361 25.661 1.00 0.00 C ATOM 721 C ALA A 46 -13.904 -10.016 25.208 1.00 0.00 C ATOM 722 O ALA A 46 -13.843 -10.617 24.141 1.00 0.00 O ATOM 723 CB ALA A 46 -15.222 -7.895 25.225 1.00 0.00 C ATOM 0 H ALA A 46 -15.363 -8.550 27.587 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.040 -9.884 25.200 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.123 -7.836 24.141 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.164 -7.438 25.528 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.394 -7.364 25.694 1.00 0.00 H new ATOM 729 N SER A 47 -12.866 -9.892 26.024 1.00 0.00 N ATOM 730 CA SER A 47 -11.572 -10.465 25.679 1.00 0.00 C ATOM 731 C SER A 47 -11.702 -11.959 25.397 1.00 0.00 C ATOM 732 O SER A 47 -11.080 -12.482 24.472 1.00 0.00 O ATOM 733 CB SER A 47 -10.582 -10.247 26.823 1.00 0.00 C ATOM 734 OG SER A 47 -10.554 -8.868 27.165 1.00 0.00 O ATOM 0 H SER A 47 -12.893 -9.405 26.920 1.00 0.00 H new ATOM 0 HA SER A 47 -11.206 -9.968 24.781 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.873 -10.842 27.689 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.587 -10.580 26.527 1.00 0.00 H new ATOM 0 HG SER A 47 -10.344 -8.771 28.117 1.00 0.00 H new ATOM 740 N PHE A 48 -12.515 -12.637 26.196 1.00 0.00 N ATOM 741 CA PHE A 48 -12.724 -14.068 26.018 1.00 0.00 C ATOM 742 C PHE A 48 -13.372 -14.352 24.666 1.00 0.00 C ATOM 743 O PHE A 48 -13.004 -15.303 23.978 1.00 0.00 O ATOM 744 CB PHE A 48 -13.615 -14.607 27.139 1.00 0.00 C ATOM 745 CG PHE A 48 -12.835 -14.648 28.431 1.00 0.00 C ATOM 746 CD1 PHE A 48 -12.734 -13.498 29.223 1.00 0.00 C ATOM 747 CD2 PHE A 48 -12.212 -15.833 28.834 1.00 0.00 C ATOM 748 CE1 PHE A 48 -12.009 -13.534 30.419 1.00 0.00 C ATOM 749 CE2 PHE A 48 -11.486 -15.871 30.030 1.00 0.00 C ATOM 750 CZ PHE A 48 -11.386 -14.721 30.823 1.00 0.00 C ATOM 0 H PHE A 48 -13.037 -12.223 26.968 1.00 0.00 H new ATOM 0 HA PHE A 48 -11.755 -14.566 26.053 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -14.495 -13.974 27.254 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -13.971 -15.606 26.886 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -13.216 -12.583 28.911 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -12.291 -16.719 28.222 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -11.930 -12.647 31.030 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.004 -16.786 30.341 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.828 -14.750 31.747 1.00 0.00 H new ATOM 760 N GLU A 49 -14.341 -13.521 24.292 1.00 0.00 N ATOM 761 CA GLU A 49 -15.032 -13.699 23.019 1.00 0.00 C ATOM 762 C GLU A 49 -14.072 -13.473 21.857 1.00 0.00 C ATOM 763 O GLU A 49 -13.970 -14.303 20.956 1.00 0.00 O ATOM 764 CB GLU A 49 -16.203 -12.712 22.923 1.00 0.00 C ATOM 765 CG GLU A 49 -17.362 -13.196 23.799 1.00 0.00 C ATOM 766 CD GLU A 49 -16.979 -13.096 25.270 1.00 0.00 C ATOM 767 OE1 GLU A 49 -16.248 -13.958 25.728 1.00 0.00 O ATOM 768 OE2 GLU A 49 -17.423 -12.162 25.916 1.00 0.00 O ATOM 0 H GLU A 49 -14.663 -12.727 24.845 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.412 -14.719 22.966 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -15.882 -11.721 23.243 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -16.531 -12.622 21.887 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -18.251 -12.596 23.604 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.612 -14.227 23.549 1.00 0.00 H new ATOM 775 N LEU A 50 -13.366 -12.355 21.886 1.00 0.00 N ATOM 776 CA LEU A 50 -12.413 -12.043 20.831 1.00 0.00 C ATOM 777 C LEU A 50 -11.313 -13.089 20.771 1.00 0.00 C ATOM 778 O LEU A 50 -10.907 -13.514 19.692 1.00 0.00 O ATOM 779 CB LEU A 50 -11.806 -10.650 21.071 1.00 0.00 C ATOM 780 CG LEU A 50 -12.710 -9.565 20.460 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.643 -9.631 18.918 1.00 0.00 C ATOM 782 CD2 LEU A 50 -14.163 -9.773 20.929 1.00 0.00 C ATOM 0 H LEU A 50 -13.433 -11.652 22.622 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.939 -12.046 19.877 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.688 -10.476 22.141 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.811 -10.597 20.628 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.364 -8.585 20.789 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.285 -8.860 18.493 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.616 -9.469 18.591 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.980 -10.611 18.581 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -14.800 -9.003 20.494 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.512 -10.755 20.609 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -14.207 -9.709 22.016 1.00 0.00 H new ATOM 794 N ASN A 51 -10.830 -13.495 21.930 1.00 0.00 N ATOM 795 CA ASN A 51 -9.767 -14.481 21.980 1.00 0.00 C ATOM 796 C ASN A 51 -10.212 -15.782 21.322 1.00 0.00 C ATOM 797 O ASN A 51 -9.516 -16.323 20.462 1.00 0.00 O ATOM 798 CB ASN A 51 -9.389 -14.752 23.436 1.00 0.00 C ATOM 799 CG ASN A 51 -8.707 -13.527 24.036 1.00 0.00 C ATOM 800 OD1 ASN A 51 -8.295 -12.625 23.309 1.00 0.00 O ATOM 801 ND2 ASN A 51 -8.561 -13.443 25.331 1.00 0.00 N ATOM 0 H ASN A 51 -11.152 -13.162 22.839 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.904 -14.091 21.440 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.281 -15.000 24.011 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.723 -15.613 23.493 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.105 -12.628 25.741 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.903 -14.192 25.932 1.00 0.00 H new ATOM 808 N LYS A 52 -11.378 -16.274 21.723 1.00 0.00 N ATOM 809 CA LYS A 52 -11.908 -17.507 21.157 1.00 0.00 C ATOM 810 C LYS A 52 -12.264 -17.325 19.685 1.00 0.00 C ATOM 811 O LYS A 52 -11.942 -18.171 18.850 1.00 0.00 O ATOM 812 CB LYS A 52 -13.150 -17.948 21.927 1.00 0.00 C ATOM 813 CG LYS A 52 -12.744 -18.408 23.328 1.00 0.00 C ATOM 814 CD LYS A 52 -13.969 -18.963 24.065 1.00 0.00 C ATOM 815 CE LYS A 52 -14.898 -17.818 24.485 1.00 0.00 C ATOM 816 NZ LYS A 52 -15.879 -18.316 25.486 1.00 0.00 N ATOM 0 H LYS A 52 -11.970 -15.842 22.432 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.136 -18.272 21.238 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.861 -17.124 21.995 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.651 -18.758 21.397 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.971 -19.173 23.260 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.319 -17.574 23.886 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.506 -19.659 23.420 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.651 -19.524 24.944 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.315 -16.999 24.907 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.420 -17.422 23.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.509 -17.539 25.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.443 -19.083 25.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.372 -18.674 26.320 1.00 0.00 H new ATOM 830 N LYS A 53 -12.936 -16.220 19.377 1.00 0.00 N ATOM 831 CA LYS A 53 -13.339 -15.942 18.004 1.00 0.00 C ATOM 832 C LYS A 53 -12.122 -15.799 17.101 1.00 0.00 C ATOM 833 O LYS A 53 -12.068 -16.390 16.021 1.00 0.00 O ATOM 834 CB LYS A 53 -14.167 -14.652 17.960 1.00 0.00 C ATOM 835 CG LYS A 53 -15.563 -14.912 18.519 1.00 0.00 C ATOM 836 CD LYS A 53 -16.335 -13.593 18.581 1.00 0.00 C ATOM 837 CE LYS A 53 -17.671 -13.821 19.282 1.00 0.00 C ATOM 838 NZ LYS A 53 -18.537 -14.691 18.436 1.00 0.00 N ATOM 0 H LYS A 53 -13.211 -15.508 20.054 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.940 -16.777 17.645 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.673 -13.872 18.540 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.238 -14.290 16.934 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -16.092 -15.627 17.889 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.493 -15.353 19.513 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.753 -12.843 19.117 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.501 -13.208 17.575 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -17.508 -14.287 20.254 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -18.165 -12.867 19.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.515 -14.655 18.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.510 -14.355 17.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.190 -15.671 18.477 1.00 0.00 H new ATOM 852 N ILE A 54 -11.143 -15.023 17.548 1.00 0.00 N ATOM 853 CA ILE A 54 -9.932 -14.826 16.764 1.00 0.00 C ATOM 854 C ILE A 54 -9.153 -16.133 16.649 1.00 0.00 C ATOM 855 O ILE A 54 -8.691 -16.495 15.567 1.00 0.00 O ATOM 856 CB ILE A 54 -9.055 -13.753 17.424 1.00 0.00 C ATOM 857 CG1 ILE A 54 -9.733 -12.386 17.289 1.00 0.00 C ATOM 858 CG2 ILE A 54 -7.680 -13.709 16.747 1.00 0.00 C ATOM 859 CD1 ILE A 54 -9.006 -11.366 18.169 1.00 0.00 C ATOM 0 H ILE A 54 -11.163 -14.525 18.438 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.212 -14.498 15.763 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.926 -13.997 18.479 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.717 -12.061 16.249 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.780 -12.457 17.585 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.065 -12.945 17.222 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.194 -14.680 16.847 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.802 -13.471 15.690 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.488 -10.393 18.073 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.045 -11.689 19.209 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.966 -11.288 17.852 1.00 0.00 H new ATOM 871 N ASN A 55 -9.013 -16.834 17.767 1.00 0.00 N ATOM 872 CA ASN A 55 -8.291 -18.096 17.773 1.00 0.00 C ATOM 873 C ASN A 55 -9.013 -19.129 16.911 1.00 0.00 C ATOM 874 O ASN A 55 -8.390 -19.860 16.141 1.00 0.00 O ATOM 875 CB ASN A 55 -8.164 -18.617 19.206 1.00 0.00 C ATOM 876 CG ASN A 55 -7.113 -17.809 19.962 1.00 0.00 C ATOM 877 OD1 ASN A 55 -7.311 -17.471 21.128 1.00 0.00 O ATOM 878 ND2 ASN A 55 -6.002 -17.480 19.363 1.00 0.00 N ATOM 0 H ASN A 55 -9.387 -16.552 18.673 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.296 -17.929 17.360 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.125 -18.545 19.715 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.887 -19.671 19.196 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.294 -16.941 19.862 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.841 -17.762 18.396 1.00 0.00 H new ATOM 885 N ASP A 56 -10.334 -19.181 17.053 1.00 0.00 N ATOM 886 CA ASP A 56 -11.141 -20.125 16.290 1.00 0.00 C ATOM 887 C ASP A 56 -11.075 -19.808 14.801 1.00 0.00 C ATOM 888 O ASP A 56 -10.997 -20.708 13.967 1.00 0.00 O ATOM 889 CB ASP A 56 -12.596 -20.074 16.759 1.00 0.00 C ATOM 890 CG ASP A 56 -12.722 -20.710 18.141 1.00 0.00 C ATOM 891 OD1 ASP A 56 -11.781 -21.365 18.558 1.00 0.00 O ATOM 892 OD2 ASP A 56 -13.758 -20.534 18.761 1.00 0.00 O ATOM 0 H ASP A 56 -10.865 -18.583 17.686 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.742 -21.126 16.456 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.940 -19.040 16.793 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.234 -20.599 16.048 1.00 0.00 H new ATOM 897 N TYR A 57 -11.109 -18.522 14.477 1.00 0.00 N ATOM 898 CA TYR A 57 -11.062 -18.092 13.086 1.00 0.00 C ATOM 899 C TYR A 57 -9.833 -18.667 12.391 1.00 0.00 C ATOM 900 O TYR A 57 -9.899 -19.081 11.234 1.00 0.00 O ATOM 901 CB TYR A 57 -11.027 -16.564 13.011 1.00 0.00 C ATOM 902 CG TYR A 57 -11.110 -16.127 11.566 1.00 0.00 C ATOM 903 CD1 TYR A 57 -12.304 -16.296 10.855 1.00 0.00 C ATOM 904 CD2 TYR A 57 -9.998 -15.551 10.938 1.00 0.00 C ATOM 905 CE1 TYR A 57 -12.387 -15.892 9.518 1.00 0.00 C ATOM 906 CE2 TYR A 57 -10.082 -15.146 9.601 1.00 0.00 C ATOM 907 CZ TYR A 57 -11.276 -15.316 8.891 1.00 0.00 C ATOM 908 OH TYR A 57 -11.357 -14.918 7.572 1.00 0.00 O ATOM 0 H TYR A 57 -11.169 -17.762 15.155 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.956 -18.458 12.581 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.857 -16.143 13.578 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.109 -16.188 13.463 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -13.162 -16.739 11.339 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.076 -15.420 11.485 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -13.308 -16.025 8.970 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.225 -14.702 9.117 1.00 0.00 H new ATOM 0 HH TYR A 57 -10.498 -14.538 7.292 1.00 0.00 H new ATOM 918 N ILE A 58 -8.712 -18.690 13.103 1.00 0.00 N ATOM 919 CA ILE A 58 -7.476 -19.219 12.537 1.00 0.00 C ATOM 920 C ILE A 58 -7.632 -20.701 12.201 1.00 0.00 C ATOM 921 O ILE A 58 -7.221 -21.150 11.132 1.00 0.00 O ATOM 922 CB ILE A 58 -6.335 -19.044 13.545 1.00 0.00 C ATOM 923 CG1 ILE A 58 -6.023 -17.551 13.709 1.00 0.00 C ATOM 924 CG2 ILE A 58 -5.083 -19.770 13.039 1.00 0.00 C ATOM 925 CD1 ILE A 58 -5.170 -17.334 14.962 1.00 0.00 C ATOM 0 H ILE A 58 -8.633 -18.353 14.062 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.249 -18.672 11.622 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.635 -19.464 14.505 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.495 -17.182 12.830 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.950 -16.983 13.786 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.274 -19.644 13.758 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.301 -20.831 12.921 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.783 -19.352 12.078 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.951 -16.272 15.074 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.714 -17.687 15.838 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.236 -17.889 14.867 1.00 0.00 H new ATOM 937 N ALA A 59 -8.225 -21.452 13.121 1.00 0.00 N ATOM 938 CA ALA A 59 -8.432 -22.880 12.913 1.00 0.00 C ATOM 939 C ALA A 59 -9.378 -23.121 11.742 1.00 0.00 C ATOM 940 O ALA A 59 -9.240 -24.101 11.010 1.00 0.00 O ATOM 941 CB ALA A 59 -9.003 -23.521 14.176 1.00 0.00 C ATOM 0 H ALA A 59 -8.569 -21.099 14.014 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.468 -23.334 12.685 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.153 -24.587 14.007 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.307 -23.379 15.003 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.957 -23.055 14.421 1.00 0.00 H new ATOM 947 N GLU A 60 -10.342 -22.224 11.577 1.00 0.00 N ATOM 948 CA GLU A 60 -11.312 -22.349 10.497 1.00 0.00 C ATOM 949 C GLU A 60 -10.649 -22.119 9.146 1.00 0.00 C ATOM 950 O GLU A 60 -10.933 -22.824 8.177 1.00 0.00 O ATOM 951 CB GLU A 60 -12.438 -21.330 10.687 1.00 0.00 C ATOM 952 CG GLU A 60 -13.285 -21.723 11.898 1.00 0.00 C ATOM 953 CD GLU A 60 -14.332 -20.648 12.175 1.00 0.00 C ATOM 954 OE1 GLU A 60 -14.395 -19.701 11.408 1.00 0.00 O ATOM 955 OE2 GLU A 60 -15.051 -20.787 13.150 1.00 0.00 O ATOM 0 H GLU A 60 -10.473 -21.407 12.173 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.721 -23.359 10.522 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.020 -20.334 10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.060 -21.289 9.793 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.774 -22.680 11.715 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.646 -21.854 12.772 1.00 0.00 H new ATOM 962 N HIS A 61 -9.762 -21.128 9.085 1.00 0.00 N ATOM 963 CA HIS A 61 -9.060 -20.812 7.841 1.00 0.00 C ATOM 964 C HIS A 61 -7.610 -20.414 8.117 1.00 0.00 C ATOM 965 O HIS A 61 -7.230 -19.258 7.931 1.00 0.00 O ATOM 966 CB HIS A 61 -9.777 -19.676 7.116 1.00 0.00 C ATOM 967 CG HIS A 61 -11.235 -20.020 6.972 1.00 0.00 C ATOM 968 ND1 HIS A 61 -12.176 -19.667 7.927 1.00 0.00 N ATOM 969 CD2 HIS A 61 -11.929 -20.684 5.989 1.00 0.00 C ATOM 970 CE1 HIS A 61 -13.371 -20.114 7.504 1.00 0.00 C ATOM 971 NE2 HIS A 61 -13.278 -20.741 6.328 1.00 0.00 N ATOM 0 H HIS A 61 -9.513 -20.533 9.875 1.00 0.00 H new ATOM 0 HA HIS A 61 -9.059 -21.703 7.213 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.664 -18.746 7.673 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -9.330 -19.516 6.135 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -11.494 -21.098 5.091 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -14.294 -19.982 8.049 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -14.033 -21.170 5.793 1.00 0.00 H new ATOM 979 N PRO A 62 -6.804 -21.347 8.556 1.00 0.00 N ATOM 980 CA PRO A 62 -5.368 -21.092 8.858 1.00 0.00 C ATOM 981 C PRO A 62 -4.525 -20.997 7.585 1.00 0.00 C ATOM 982 O PRO A 62 -3.418 -20.458 7.597 1.00 0.00 O ATOM 983 CB PRO A 62 -4.957 -22.298 9.713 1.00 0.00 C ATOM 984 CG PRO A 62 -5.885 -23.407 9.309 1.00 0.00 C ATOM 985 CD PRO A 62 -7.180 -22.749 8.808 1.00 0.00 C ATOM 0 HA PRO A 62 -5.214 -20.140 9.366 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.917 -22.571 9.534 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.049 -22.076 10.776 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.436 -24.020 8.527 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.089 -24.066 10.153 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.546 -23.231 7.902 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.975 -22.820 9.550 1.00 0.00 H new ATOM 993 N THR A 63 -5.058 -21.532 6.492 1.00 0.00 N ATOM 994 CA THR A 63 -4.351 -21.510 5.218 1.00 0.00 C ATOM 995 C THR A 63 -4.426 -20.126 4.584 1.00 0.00 C ATOM 996 O THR A 63 -3.645 -19.798 3.690 1.00 0.00 O ATOM 997 CB THR A 63 -4.951 -22.546 4.265 1.00 0.00 C ATOM 998 OG1 THR A 63 -4.753 -23.848 4.799 1.00 0.00 O ATOM 999 CG2 THR A 63 -4.269 -22.444 2.899 1.00 0.00 C ATOM 0 H THR A 63 -5.972 -21.984 6.463 1.00 0.00 H new ATOM 0 HA THR A 63 -3.305 -21.754 5.404 1.00 0.00 H new ATOM 0 HB THR A 63 -6.018 -22.358 4.149 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.138 -24.513 4.191 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.698 -23.183 2.222 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.421 -21.445 2.490 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.201 -22.631 3.011 1.00 0.00 H new ATOM 1007 N SER A 64 -5.375 -19.322 5.048 1.00 0.00 N ATOM 1008 CA SER A 64 -5.550 -17.976 4.513 1.00 0.00 C ATOM 1009 C SER A 64 -4.274 -17.160 4.680 1.00 0.00 C ATOM 1010 O SER A 64 -3.873 -16.425 3.777 1.00 0.00 O ATOM 1011 CB SER A 64 -6.704 -17.277 5.232 1.00 0.00 C ATOM 1012 OG SER A 64 -7.902 -18.017 5.030 1.00 0.00 O ATOM 0 H SER A 64 -6.031 -19.575 5.787 1.00 0.00 H new ATOM 0 HA SER A 64 -5.777 -18.055 3.450 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.488 -17.196 6.297 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.822 -16.262 4.853 1.00 0.00 H new ATOM 0 HG SER A 64 -8.643 -17.572 5.491 1.00 0.00 H new ATOM 1018 N GLY A 65 -3.638 -17.294 5.839 1.00 0.00 N ATOM 1019 CA GLY A 65 -2.406 -16.564 6.113 1.00 0.00 C ATOM 1020 C GLY A 65 -2.705 -15.123 6.514 1.00 0.00 C ATOM 1021 O GLY A 65 -1.905 -14.480 7.194 1.00 0.00 O ATOM 0 H GLY A 65 -3.953 -17.897 6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.854 -17.061 6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.768 -16.575 5.229 1.00 0.00 H new ATOM 1025 N ARG A 66 -3.861 -14.625 6.088 1.00 0.00 N ATOM 1026 CA ARG A 66 -4.257 -13.257 6.408 1.00 0.00 C ATOM 1027 C ARG A 66 -4.700 -13.154 7.863 1.00 0.00 C ATOM 1028 O ARG A 66 -4.811 -12.058 8.413 1.00 0.00 O ATOM 1029 CB ARG A 66 -5.402 -12.819 5.494 1.00 0.00 C ATOM 1030 CG ARG A 66 -4.957 -12.936 4.032 1.00 0.00 C ATOM 1031 CD ARG A 66 -3.785 -11.978 3.754 1.00 0.00 C ATOM 1032 NE ARG A 66 -2.518 -12.660 3.989 1.00 0.00 N ATOM 1033 CZ ARG A 66 -1.402 -11.976 4.212 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -1.432 -10.671 4.229 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -0.278 -12.605 4.417 1.00 0.00 N ATOM 0 H ARG A 66 -4.536 -15.143 5.525 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.398 -12.604 6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.280 -13.440 5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.688 -11.791 5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.657 -13.961 3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.791 -12.703 3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.831 -11.623 2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.861 -11.101 4.397 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.488 -13.680 3.982 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.311 -10.179 4.071 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.576 -10.143 4.400 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.255 -13.625 4.406 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.578 -12.077 4.588 1.00 0.00 H new ATOM 1049 N ASN A 67 -4.952 -14.303 8.479 1.00 0.00 N ATOM 1050 CA ASN A 67 -5.384 -14.337 9.871 1.00 0.00 C ATOM 1051 C ASN A 67 -4.261 -13.878 10.796 1.00 0.00 C ATOM 1052 O ASN A 67 -4.505 -13.490 11.938 1.00 0.00 O ATOM 1053 CB ASN A 67 -5.817 -15.752 10.253 1.00 0.00 C ATOM 1054 CG ASN A 67 -6.841 -16.273 9.251 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -7.167 -15.538 8.223 1.00 0.00 O flip ATOM 1056 ND2 ASN A 67 -7.354 -17.380 9.406 1.00 0.00 N flip ATOM 0 H ASN A 67 -4.865 -15.219 8.039 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.229 -13.658 9.982 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.950 -16.412 10.276 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.245 -15.752 11.256 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.098 -17.953 10.210 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.036 -17.725 8.730 1.00 0.00 H new ATOM 1063 N GLN A 68 -3.031 -13.929 10.295 1.00 0.00 N ATOM 1064 CA GLN A 68 -1.878 -13.523 11.090 1.00 0.00 C ATOM 1065 C GLN A 68 -2.099 -12.136 11.686 1.00 0.00 C ATOM 1066 O GLN A 68 -1.751 -11.885 12.841 1.00 0.00 O ATOM 1067 CB GLN A 68 -0.622 -13.509 10.215 1.00 0.00 C ATOM 1068 CG GLN A 68 0.591 -13.134 11.068 1.00 0.00 C ATOM 1069 CD GLN A 68 1.870 -13.287 10.252 1.00 0.00 C ATOM 1070 OE1 GLN A 68 1.818 -13.650 9.077 1.00 0.00 O ATOM 1071 NE2 GLN A 68 3.022 -13.032 10.809 1.00 0.00 N ATOM 0 H GLN A 68 -2.808 -14.244 9.351 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.749 -14.239 11.902 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.472 -14.488 9.761 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.742 -12.795 9.400 1.00 0.00 H new ATOM 0 HG2 GLN A 68 0.495 -12.107 11.420 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.635 -13.771 11.952 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.062 -12.731 11.783 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.882 -13.133 10.271 1.00 0.00 H new ATOM 1080 N ALA A 69 -2.682 -11.241 10.897 1.00 0.00 N ATOM 1081 CA ALA A 69 -2.948 -9.885 11.364 1.00 0.00 C ATOM 1082 C ALA A 69 -4.050 -9.895 12.416 1.00 0.00 C ATOM 1083 O ALA A 69 -4.009 -9.134 13.380 1.00 0.00 O ATOM 1084 CB ALA A 69 -3.369 -9.002 10.189 1.00 0.00 C ATOM 0 H ALA A 69 -2.978 -11.427 9.939 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.037 -9.485 11.808 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.566 -7.991 10.546 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.570 -8.976 9.449 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.272 -9.408 9.734 1.00 0.00 H new ATOM 1090 N LEU A 70 -5.037 -10.761 12.222 1.00 0.00 N ATOM 1091 CA LEU A 70 -6.145 -10.860 13.161 1.00 0.00 C ATOM 1092 C LEU A 70 -5.645 -11.282 14.538 1.00 0.00 C ATOM 1093 O LEU A 70 -6.112 -10.781 15.559 1.00 0.00 O ATOM 1094 CB LEU A 70 -7.175 -11.872 12.655 1.00 0.00 C ATOM 1095 CG LEU A 70 -8.510 -11.668 13.391 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -9.251 -10.439 12.833 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -9.383 -12.916 13.214 1.00 0.00 C ATOM 0 H LEU A 70 -5.092 -11.400 11.429 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.614 -9.879 13.243 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.319 -11.752 11.581 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.811 -12.887 12.817 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.308 -11.504 14.449 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.193 -10.310 13.365 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.634 -9.550 12.967 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.451 -10.586 11.772 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.330 -12.774 13.735 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.573 -13.080 12.153 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.867 -13.782 13.628 1.00 0.00 H new ATOM 1109 N THR A 71 -4.704 -12.215 14.557 1.00 0.00 N ATOM 1110 CA THR A 71 -4.154 -12.705 15.815 1.00 0.00 C ATOM 1111 C THR A 71 -3.573 -11.554 16.627 1.00 0.00 C ATOM 1112 O THR A 71 -3.442 -11.646 17.847 1.00 0.00 O ATOM 1113 CB THR A 71 -3.056 -13.732 15.533 1.00 0.00 C ATOM 1114 OG1 THR A 71 -3.547 -14.716 14.636 1.00 0.00 O ATOM 1115 CG2 THR A 71 -2.628 -14.396 16.844 1.00 0.00 C ATOM 0 H THR A 71 -4.307 -12.646 13.722 1.00 0.00 H new ATOM 0 HA THR A 71 -4.956 -13.172 16.387 1.00 0.00 H new ATOM 0 HB THR A 71 -2.197 -13.233 15.085 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.843 -15.373 14.454 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.846 -15.128 16.643 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.248 -13.638 17.529 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.485 -14.896 17.295 1.00 0.00 H new ATOM 1123 N GLN A 72 -3.223 -10.470 15.943 1.00 0.00 N ATOM 1124 CA GLN A 72 -2.654 -9.307 16.614 1.00 0.00 C ATOM 1125 C GLN A 72 -3.659 -8.705 17.592 1.00 0.00 C ATOM 1126 O GLN A 72 -3.279 -8.152 18.625 1.00 0.00 O ATOM 1127 CB GLN A 72 -2.254 -8.253 15.579 1.00 0.00 C ATOM 1128 CG GLN A 72 -1.471 -7.137 16.267 1.00 0.00 C ATOM 1129 CD GLN A 72 -1.047 -6.087 15.244 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -1.382 -6.238 13.991 1.00 0.00 O flip ATOM 1131 NE2 GLN A 72 -0.391 -5.105 15.593 1.00 0.00 N flip ATOM 0 H GLN A 72 -3.322 -10.372 14.933 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.772 -9.627 17.169 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.648 -8.708 14.796 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.143 -7.845 15.097 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.084 -6.675 17.041 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.592 -7.550 16.761 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.130 -4.988 16.572 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.109 -4.409 14.903 1.00 0.00 H new ATOM 1140 N LEU A 73 -4.938 -8.814 17.259 1.00 0.00 N ATOM 1141 CA LEU A 73 -5.989 -8.276 18.112 1.00 0.00 C ATOM 1142 C LEU A 73 -6.009 -9.000 19.457 1.00 0.00 C ATOM 1143 O LEU A 73 -6.236 -8.385 20.500 1.00 0.00 O ATOM 1144 CB LEU A 73 -7.354 -8.425 17.425 1.00 0.00 C ATOM 1145 CG LEU A 73 -7.541 -7.300 16.406 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -6.421 -7.363 15.365 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -8.893 -7.462 15.712 1.00 0.00 C ATOM 0 H LEU A 73 -5.272 -9.268 16.409 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.786 -7.219 18.284 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.419 -9.393 16.929 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.151 -8.393 18.167 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.508 -6.337 16.916 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.554 -6.561 14.639 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.457 -7.248 15.860 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.453 -8.325 14.854 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.027 -6.661 14.985 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.927 -8.424 15.201 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.690 -7.417 16.454 1.00 0.00 H new ATOM 1159 N LYS A 74 -5.785 -10.309 19.423 1.00 0.00 N ATOM 1160 CA LYS A 74 -5.799 -11.102 20.647 1.00 0.00 C ATOM 1161 C LYS A 74 -4.831 -10.524 21.675 1.00 0.00 C ATOM 1162 O LYS A 74 -5.216 -10.237 22.808 1.00 0.00 O ATOM 1163 CB LYS A 74 -5.394 -12.545 20.327 1.00 0.00 C ATOM 1164 CG LYS A 74 -5.516 -13.403 21.588 1.00 0.00 C ATOM 1165 CD LYS A 74 -5.164 -14.855 21.257 1.00 0.00 C ATOM 1166 CE LYS A 74 -5.294 -15.710 22.518 1.00 0.00 C ATOM 1167 NZ LYS A 74 -4.949 -17.123 22.198 1.00 0.00 N ATOM 0 H LYS A 74 -5.594 -10.838 18.572 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.807 -11.081 21.062 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.031 -12.946 19.539 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.370 -12.572 19.954 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.850 -13.024 22.363 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.530 -13.345 21.983 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.827 -15.233 20.478 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.148 -14.915 20.867 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.633 -15.331 23.297 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.311 -15.652 22.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.561 -17.586 23.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.804 -17.628 21.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.240 -17.144 21.437 1.00 0.00 H new ATOM 1181 N GLU A 75 -3.580 -10.344 21.271 1.00 0.00 N ATOM 1182 CA GLU A 75 -2.571 -9.788 22.163 1.00 0.00 C ATOM 1183 C GLU A 75 -2.853 -8.315 22.442 1.00 0.00 C ATOM 1184 O GLU A 75 -2.468 -7.786 23.485 1.00 0.00 O ATOM 1185 CB GLU A 75 -1.181 -9.941 21.546 1.00 0.00 C ATOM 1186 CG GLU A 75 -1.168 -9.309 20.155 1.00 0.00 C ATOM 1187 CD GLU A 75 0.225 -9.422 19.545 1.00 0.00 C ATOM 1188 OE1 GLU A 75 1.133 -9.811 20.259 1.00 0.00 O ATOM 1189 OE2 GLU A 75 0.363 -9.109 18.374 1.00 0.00 O ATOM 0 H GLU A 75 -3.241 -10.573 20.337 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.607 -10.335 23.105 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.435 -9.463 22.181 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.915 -10.996 21.480 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.896 -9.806 19.514 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.462 -8.261 20.220 1.00 0.00 H new ATOM 1196 N GLN A 76 -3.512 -7.654 21.495 1.00 0.00 N ATOM 1197 CA GLN A 76 -3.823 -6.238 21.646 1.00 0.00 C ATOM 1198 C GLN A 76 -4.736 -6.014 22.847 1.00 0.00 C ATOM 1199 O GLN A 76 -4.478 -5.141 23.677 1.00 0.00 O ATOM 1200 CB GLN A 76 -4.511 -5.720 20.382 1.00 0.00 C ATOM 1201 CG GLN A 76 -4.634 -4.197 20.450 1.00 0.00 C ATOM 1202 CD GLN A 76 -5.295 -3.669 19.181 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -6.428 -4.036 18.871 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -4.650 -2.824 18.424 1.00 0.00 N ATOM 0 H GLN A 76 -3.838 -8.072 20.623 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.891 -5.696 21.805 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.939 -6.009 19.500 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.499 -6.170 20.283 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.222 -3.910 21.322 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.647 -3.749 20.569 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.711 -2.521 18.683 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.085 -2.466 17.573 1.00 0.00 H new ATOM 1213 N VAL A 77 -5.802 -6.804 22.937 1.00 0.00 N ATOM 1214 CA VAL A 77 -6.738 -6.678 24.045 1.00 0.00 C ATOM 1215 C VAL A 77 -6.026 -6.920 25.374 1.00 0.00 C ATOM 1216 O VAL A 77 -6.186 -6.154 26.322 1.00 0.00 O ATOM 1217 CB VAL A 77 -7.877 -7.687 23.879 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -8.780 -7.655 25.114 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -8.697 -7.331 22.636 1.00 0.00 C ATOM 0 H VAL A 77 -6.036 -7.531 22.262 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.146 -5.667 24.044 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.459 -8.687 23.765 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.589 -8.375 24.992 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.197 -7.912 25.998 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.198 -6.655 25.233 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.508 -8.049 22.517 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.113 -6.330 22.749 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.055 -7.360 21.756 1.00 0.00 H new ATOM 1229 N THR A 78 -5.239 -7.989 25.434 1.00 0.00 N ATOM 1230 CA THR A 78 -4.506 -8.318 26.653 1.00 0.00 C ATOM 1231 C THR A 78 -3.528 -7.201 27.006 1.00 0.00 C ATOM 1232 O THR A 78 -3.429 -6.792 28.164 1.00 0.00 O ATOM 1233 CB THR A 78 -3.742 -9.629 26.464 1.00 0.00 C ATOM 1234 OG1 THR A 78 -2.939 -9.543 25.295 1.00 0.00 O ATOM 1235 CG2 THR A 78 -4.735 -10.782 26.322 1.00 0.00 C ATOM 0 H THR A 78 -5.092 -8.638 24.661 1.00 0.00 H new ATOM 0 HA THR A 78 -5.221 -8.430 27.468 1.00 0.00 H new ATOM 0 HB THR A 78 -3.104 -9.808 27.329 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.198 -8.752 24.778 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.191 -11.717 26.187 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.349 -10.846 27.220 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.375 -10.607 25.457 1.00 0.00 H new ATOM 1243 N SER A 79 -2.806 -6.714 26.001 1.00 0.00 N ATOM 1244 CA SER A 79 -1.836 -5.646 26.215 1.00 0.00 C ATOM 1245 C SER A 79 -2.536 -4.364 26.653 1.00 0.00 C ATOM 1246 O SER A 79 -2.081 -3.678 27.570 1.00 0.00 O ATOM 1247 CB SER A 79 -1.048 -5.389 24.929 1.00 0.00 C ATOM 1248 OG SER A 79 -0.313 -4.179 25.063 1.00 0.00 O ATOM 0 H SER A 79 -2.874 -7.040 25.037 1.00 0.00 H new ATOM 0 HA SER A 79 -1.150 -5.957 27.003 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.370 -6.220 24.732 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.728 -5.323 24.079 1.00 0.00 H new ATOM 0 HG SER A 79 0.194 -4.012 24.241 1.00 0.00 H new ATOM 1254 N ALA A 80 -3.644 -4.046 25.992 1.00 0.00 N ATOM 1255 CA ALA A 80 -4.398 -2.842 26.323 1.00 0.00 C ATOM 1256 C ALA A 80 -4.853 -2.877 27.777 1.00 0.00 C ATOM 1257 O ALA A 80 -4.684 -1.907 28.515 1.00 0.00 O ATOM 1258 CB ALA A 80 -5.614 -2.721 25.402 1.00 0.00 C ATOM 0 H ALA A 80 -4.037 -4.599 25.231 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.750 -1.977 26.182 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.173 -1.820 25.654 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.281 -2.664 24.366 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.255 -3.593 25.529 1.00 0.00 H new ATOM 1264 N LEU A 81 -5.430 -4.001 28.179 1.00 0.00 N ATOM 1265 CA LEU A 81 -5.908 -4.160 29.549 1.00 0.00 C ATOM 1266 C LEU A 81 -4.742 -4.167 30.526 1.00 0.00 C ATOM 1267 O LEU A 81 -4.891 -3.800 31.691 1.00 0.00 O ATOM 1268 CB LEU A 81 -6.691 -5.469 29.677 1.00 0.00 C ATOM 1269 CG LEU A 81 -7.927 -5.409 28.770 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -8.520 -6.815 28.628 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -8.991 -4.468 29.368 1.00 0.00 C ATOM 0 H LEU A 81 -5.579 -4.814 27.581 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.560 -3.320 29.787 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.060 -6.313 29.397 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.992 -5.626 30.713 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.628 -5.028 27.794 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.399 -6.776 27.984 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.777 -7.481 28.188 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.807 -7.190 29.611 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.860 -4.438 28.711 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.290 -4.835 30.350 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.576 -3.465 29.466 1.00 0.00 H new ATOM 1283 N GLY A 82 -3.583 -4.601 30.045 1.00 0.00 N ATOM 1284 CA GLY A 82 -2.391 -4.668 30.882 1.00 0.00 C ATOM 1285 C GLY A 82 -2.377 -5.963 31.680 1.00 0.00 C ATOM 1286 O GLY A 82 -1.574 -6.131 32.598 1.00 0.00 O ATOM 0 H GLY A 82 -3.443 -4.911 29.083 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.498 -4.607 30.260 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.366 -3.815 31.560 1.00 0.00 H new ATOM 1290 N LEU A 83 -3.269 -6.882 31.322 1.00 0.00 N ATOM 1291 CA LEU A 83 -3.342 -8.160 32.014 1.00 0.00 C ATOM 1292 C LEU A 83 -2.085 -8.984 31.757 1.00 0.00 C ATOM 1293 O LEU A 83 -1.530 -9.590 32.673 1.00 0.00 O ATOM 1294 CB LEU A 83 -4.580 -8.940 31.546 1.00 0.00 C ATOM 1295 CG LEU A 83 -4.579 -10.346 32.160 1.00 0.00 C ATOM 1296 CD1 LEU A 83 -4.499 -10.249 33.690 1.00 0.00 C ATOM 1297 CD2 LEU A 83 -5.859 -11.080 31.756 1.00 0.00 C ATOM 0 H LEU A 83 -3.943 -6.766 30.565 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.419 -7.968 33.084 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.486 -8.408 31.837 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.586 -9.009 30.458 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.713 -10.897 31.793 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.499 -11.251 34.119 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.582 -9.733 33.974 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.359 -9.694 34.065 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.859 -12.079 32.192 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.725 -10.526 32.118 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.906 -11.158 30.670 1.00 0.00 H new ATOM 1309 N GLU A 84 -1.648 -9.007 30.505 1.00 0.00 N ATOM 1310 CA GLU A 84 -0.461 -9.765 30.137 1.00 0.00 C ATOM 1311 C GLU A 84 -0.608 -11.227 30.551 1.00 0.00 C ATOM 1312 O GLU A 84 -0.297 -11.594 31.685 1.00 0.00 O ATOM 1313 CB GLU A 84 0.773 -9.161 30.806 1.00 0.00 C ATOM 1314 CG GLU A 84 2.025 -9.904 30.336 1.00 0.00 C ATOM 1315 CD GLU A 84 3.269 -9.248 30.923 1.00 0.00 C ATOM 1316 OE1 GLU A 84 3.151 -8.144 31.426 1.00 0.00 O ATOM 1317 OE2 GLU A 84 4.322 -9.861 30.861 1.00 0.00 O ATOM 0 H GLU A 84 -2.094 -8.513 29.732 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.344 -9.718 29.054 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.852 -8.102 30.559 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.682 -9.230 31.890 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.975 -10.949 30.643 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.077 -9.894 29.247 1.00 0.00 H new ATOM 1324 N HIS A 85 -1.080 -12.059 29.628 1.00 0.00 N ATOM 1325 CA HIS A 85 -1.259 -13.478 29.914 1.00 0.00 C ATOM 1326 C HIS A 85 0.093 -14.164 30.084 1.00 0.00 C ATOM 1327 O HIS A 85 0.975 -14.037 29.234 1.00 0.00 O ATOM 1328 CB HIS A 85 -2.033 -14.146 28.776 1.00 0.00 C ATOM 1329 CG HIS A 85 -1.245 -14.033 27.501 1.00 0.00 C ATOM 1330 ND1 HIS A 85 -0.445 -15.065 27.032 1.00 0.00 N ATOM 1331 CD2 HIS A 85 -1.122 -13.020 26.582 1.00 0.00 C ATOM 1332 CE1 HIS A 85 0.118 -14.652 25.881 1.00 0.00 C ATOM 1333 NE2 HIS A 85 -0.261 -13.412 25.562 1.00 0.00 N ATOM 0 H HIS A 85 -1.343 -11.778 28.683 1.00 0.00 H new ATOM 0 HA HIS A 85 -1.822 -13.575 30.842 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -2.215 -15.194 29.012 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.007 -13.672 28.657 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -1.619 -12.063 26.642 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.794 -15.251 25.288 1.00 0.00 H new ATOM 0 HE2 HIS A 85 0.020 -12.869 24.746 1.00 0.00 H new ATOM 1341 N HIS A 86 0.248 -14.891 31.185 1.00 0.00 N ATOM 1342 CA HIS A 86 1.497 -15.593 31.457 1.00 0.00 C ATOM 1343 C HIS A 86 1.735 -16.683 30.416 1.00 0.00 C ATOM 1344 O HIS A 86 2.838 -16.822 29.889 1.00 0.00 O ATOM 1345 CB HIS A 86 1.452 -16.217 32.852 1.00 0.00 C ATOM 1346 CG HIS A 86 2.785 -16.837 33.169 1.00 0.00 C ATOM 1347 ND1 HIS A 86 3.036 -18.187 32.983 1.00 0.00 N ATOM 1348 CD2 HIS A 86 3.951 -16.304 33.658 1.00 0.00 C ATOM 1349 CE1 HIS A 86 4.308 -18.419 33.354 1.00 0.00 C ATOM 1350 NE2 HIS A 86 4.912 -17.304 33.774 1.00 0.00 N ATOM 0 H HIS A 86 -0.470 -15.009 31.899 1.00 0.00 H new ATOM 0 HA HIS A 86 2.315 -14.874 31.408 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.207 -15.457 33.594 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.668 -16.972 32.899 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.100 -15.266 33.914 1.00 0.00 H new ATOM 0 HE1 HIS A 86 4.783 -19.388 33.317 1.00 0.00 H new ATOM 0 HE2 HIS A 86 5.871 -17.207 34.108 1.00 0.00 H new ATOM 1358 N HIS A 87 0.692 -17.453 30.125 1.00 0.00 N ATOM 1359 CA HIS A 87 0.799 -18.527 29.143 1.00 0.00 C ATOM 1360 C HIS A 87 -0.583 -19.051 28.772 1.00 0.00 C ATOM 1361 O HIS A 87 -0.847 -19.365 27.611 1.00 0.00 O ATOM 1362 CB HIS A 87 1.648 -19.669 29.705 1.00 0.00 C ATOM 1363 CG HIS A 87 1.799 -20.741 28.661 1.00 0.00 C ATOM 1364 ND1 HIS A 87 0.892 -21.780 28.531 1.00 0.00 N ATOM 1365 CD2 HIS A 87 2.749 -20.949 27.691 1.00 0.00 C ATOM 1366 CE1 HIS A 87 1.310 -22.559 27.516 1.00 0.00 C ATOM 1367 NE2 HIS A 87 2.438 -22.098 26.970 1.00 0.00 N ATOM 0 H HIS A 87 -0.230 -17.355 30.551 1.00 0.00 H new ATOM 0 HA HIS A 87 1.277 -18.129 28.248 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.628 -19.296 30.003 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.178 -20.080 30.599 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.607 -20.317 27.515 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.796 -23.449 27.184 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.960 -22.501 26.192 1.00 0.00 H new ATOM 1375 N HIS A 88 -1.462 -19.148 29.766 1.00 0.00 N ATOM 1376 CA HIS A 88 -2.818 -19.641 29.536 1.00 0.00 C ATOM 1377 C HIS A 88 -3.786 -19.023 30.536 1.00 0.00 C ATOM 1378 O HIS A 88 -3.371 -18.426 31.529 1.00 0.00 O ATOM 1379 CB HIS A 88 -2.848 -21.165 29.668 1.00 0.00 C ATOM 1380 CG HIS A 88 -2.460 -21.553 31.069 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -1.234 -21.209 31.619 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -3.123 -22.259 32.042 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -1.199 -21.704 32.871 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -2.326 -22.353 33.179 1.00 0.00 N ATOM 0 H HIS A 88 -1.262 -18.894 30.733 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.123 -19.358 28.529 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.845 -21.541 29.437 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -2.163 -21.617 28.951 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.113 -22.678 31.940 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -0.362 -21.590 33.544 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -2.553 -22.817 34.058 1.00 0.00 H new ATOM 1392 N HIS A 89 -5.080 -19.170 30.268 1.00 0.00 N ATOM 1393 CA HIS A 89 -6.104 -18.622 31.152 1.00 0.00 C ATOM 1394 C HIS A 89 -7.391 -19.433 31.047 1.00 0.00 C ATOM 1395 O HIS A 89 -7.696 -19.999 29.997 1.00 0.00 O ATOM 1396 CB HIS A 89 -6.386 -17.165 30.781 1.00 0.00 C ATOM 1397 CG HIS A 89 -6.718 -17.075 29.318 1.00 0.00 C ATOM 1398 ND1 HIS A 89 -5.948 -17.225 28.191 1.00 0.00 N flip ATOM 1399 CD2 HIS A 89 -7.998 -16.792 28.867 1.00 0.00 C flip ATOM 1400 CE1 HIS A 89 -6.737 -17.041 27.057 1.00 0.00 C flip ATOM 1401 NE2 HIS A 89 -7.962 -16.782 27.521 1.00 0.00 N flip ATOM 0 H HIS A 89 -5.443 -19.661 29.451 1.00 0.00 H new ATOM 0 HA HIS A 89 -5.739 -18.672 32.178 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.214 -16.781 31.377 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -5.517 -16.547 31.006 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -8.866 -16.612 29.483 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -6.425 -17.096 26.025 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -8.772 -16.599 26.928 1.00 0.00 H new ATOM 1409 N HIS A 90 -8.142 -19.486 32.143 1.00 0.00 N ATOM 1410 CA HIS A 90 -9.395 -20.233 32.165 1.00 0.00 C ATOM 1411 C HIS A 90 -10.521 -19.403 31.556 1.00 0.00 C ATOM 1412 O HIS A 90 -10.945 -18.456 32.197 1.00 0.00 O ATOM 1413 CB HIS A 90 -9.755 -20.607 33.604 1.00 0.00 C ATOM 1414 CG HIS A 90 -10.904 -21.577 33.597 1.00 0.00 C ATOM 1415 ND1 HIS A 90 -12.221 -21.163 33.728 1.00 0.00 N ATOM 1416 CD2 HIS A 90 -10.951 -22.944 33.473 1.00 0.00 C ATOM 1417 CE1 HIS A 90 -12.997 -22.261 33.682 1.00 0.00 C ATOM 1418 NE2 HIS A 90 -12.274 -23.374 33.527 1.00 0.00 N ATOM 1419 OXT HIS A 90 -10.942 -19.729 30.459 1.00 0.00 O ATOM 0 H HIS A 90 -7.907 -19.024 33.022 1.00 0.00 H new ATOM 0 HA HIS A 90 -9.267 -21.141 31.576 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.893 -21.051 34.102 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.023 -19.713 34.167 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.092 -23.588 33.352 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.074 -22.245 33.761 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -12.617 -24.332 33.462 1.00 0.00 H new TER 1427 HIS A 90