USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 651 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 84 GLN : amide:sc= -1.3 X(o=-0.61,f=-1) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 176:sc= 0.682 (180deg=0.672) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.168 K(o=-0.17,f=-6.4!) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 34 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.4) USER MOD Single : A 36 ASN : amide:sc= -0.468 K(o=-0.47,f=-2.2!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 108:sc= 0.34 USER MOD Single : A 55 SER OG : rot -130:sc= -0.148 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0131 F(o=-0.51,f=-0.013) USER MOD Single : A 82 HIS : no HD1:sc= -0.0648 X(o=-0.065,f=0) USER MOD Single : A 85 GLN : amide:sc= 0.525 K(o=0.52,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.118) USER MOD Single : A 90 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.072) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 128:sc= 0.992 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0.275 K(o=0.27,f=-1) USER MOD Single : A 102 SER OG : rot 180:sc= 0.255 USER MOD Single : A 103 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0289) USER MOD Single : A 105 SER OG : rot -36:sc= 0.353 USER MOD Single : A 106 GLN : amide:sc= -1.15 K(o=-1.1,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 5.430 11.844 -15.286 1.00 0.00 N ATOM 2 CA MET A 21 4.322 11.031 -15.832 1.00 0.00 C ATOM 3 C MET A 21 4.663 9.542 -15.679 1.00 0.00 C ATOM 4 O MET A 21 5.229 8.916 -16.588 1.00 0.00 O ATOM 5 CB MET A 21 4.030 11.404 -17.317 1.00 0.00 C ATOM 6 CG MET A 21 3.634 12.870 -17.540 1.00 0.00 C ATOM 7 SD MET A 21 3.306 13.244 -19.276 1.00 0.00 S ATOM 8 CE MET A 21 2.909 14.994 -19.206 1.00 0.00 C ATOM 0 HA MET A 21 3.412 11.241 -15.270 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.915 11.185 -17.914 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.229 10.764 -17.688 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.746 13.097 -16.949 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.432 13.517 -17.177 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.685 15.357 -20.209 1.00 0.00 H new ATOM 0 HE2 MET A 21 2.041 15.145 -18.564 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.759 15.544 -18.802 1.00 0.00 H new ATOM 18 N ALA A 22 4.366 8.999 -14.481 1.00 0.00 N ATOM 19 CA ALA A 22 4.619 7.588 -14.150 1.00 0.00 C ATOM 20 C ALA A 22 3.512 6.713 -14.765 1.00 0.00 C ATOM 21 O ALA A 22 2.431 6.555 -14.189 1.00 0.00 O ATOM 22 CB ALA A 22 4.715 7.399 -12.625 1.00 0.00 C ATOM 0 H ALA A 22 3.944 9.529 -13.718 1.00 0.00 H new ATOM 0 HA ALA A 22 5.575 7.279 -14.572 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.902 6.349 -12.400 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.532 8.006 -12.234 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.779 7.708 -12.160 1.00 0.00 H new ATOM 28 N SER A 23 3.785 6.202 -15.972 1.00 0.00 N ATOM 29 CA SER A 23 2.850 5.372 -16.742 1.00 0.00 C ATOM 30 C SER A 23 3.654 4.324 -17.525 1.00 0.00 C ATOM 31 O SER A 23 4.602 4.687 -18.232 1.00 0.00 O ATOM 32 CB SER A 23 2.029 6.259 -17.713 1.00 0.00 C ATOM 33 OG SER A 23 1.353 7.310 -17.031 1.00 0.00 O ATOM 0 H SER A 23 4.674 6.356 -16.448 1.00 0.00 H new ATOM 0 HA SER A 23 2.155 4.871 -16.068 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.693 6.683 -18.466 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.302 5.642 -18.241 1.00 0.00 H new ATOM 0 HG SER A 23 0.848 7.847 -17.677 1.00 0.00 H new ATOM 39 N GLY A 24 3.286 3.038 -17.371 1.00 0.00 N ATOM 40 CA GLY A 24 3.943 1.932 -18.080 1.00 0.00 C ATOM 41 C GLY A 24 5.393 1.707 -17.660 1.00 0.00 C ATOM 42 O GLY A 24 6.212 1.235 -18.457 1.00 0.00 O ATOM 0 H GLY A 24 2.529 2.741 -16.755 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.378 1.016 -17.908 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.911 2.130 -19.151 1.00 0.00 H new ATOM 46 N TRP A 25 5.700 2.058 -16.400 1.00 0.00 N ATOM 47 CA TRP A 25 7.024 1.816 -15.783 1.00 0.00 C ATOM 48 C TRP A 25 7.083 0.382 -15.202 1.00 0.00 C ATOM 49 O TRP A 25 8.161 -0.211 -15.087 1.00 0.00 O ATOM 50 CB TRP A 25 7.332 2.886 -14.685 1.00 0.00 C ATOM 51 CG TRP A 25 6.298 2.969 -13.577 1.00 0.00 C ATOM 52 CD1 TRP A 25 5.104 3.633 -13.620 1.00 0.00 C ATOM 53 CD2 TRP A 25 6.371 2.382 -12.261 1.00 0.00 C ATOM 54 NE1 TRP A 25 4.419 3.463 -12.446 1.00 0.00 N ATOM 55 CE2 TRP A 25 5.178 2.709 -11.593 1.00 0.00 C ATOM 56 CE3 TRP A 25 7.324 1.611 -11.590 1.00 0.00 C ATOM 57 CZ2 TRP A 25 4.908 2.276 -10.299 1.00 0.00 C ATOM 58 CZ3 TRP A 25 7.060 1.191 -10.298 1.00 0.00 C ATOM 59 CH2 TRP A 25 5.856 1.524 -9.666 1.00 0.00 C ATOM 0 H TRP A 25 5.038 2.519 -15.775 1.00 0.00 H new ATOM 0 HA TRP A 25 7.791 1.907 -16.552 1.00 0.00 H new ATOM 0 HB2 TRP A 25 8.303 2.664 -14.242 1.00 0.00 H new ATOM 0 HB3 TRP A 25 7.415 3.863 -15.161 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.750 4.211 -14.461 1.00 0.00 H new ATOM 0 HE1 TRP A 25 3.493 3.838 -12.241 1.00 0.00 H new ATOM 0 HE3 TRP A 25 8.253 1.347 -12.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 3.978 2.527 -9.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 7.793 0.598 -9.770 1.00 0.00 H new ATOM 0 HH2 TRP A 25 5.673 1.180 -8.659 1.00 0.00 H new ATOM 70 N ALA A 26 5.893 -0.154 -14.871 1.00 0.00 N ATOM 71 CA ALA A 26 5.709 -1.483 -14.240 1.00 0.00 C ATOM 72 C ALA A 26 4.214 -1.802 -14.170 1.00 0.00 C ATOM 73 O ALA A 26 3.788 -2.950 -14.335 1.00 0.00 O ATOM 74 CB ALA A 26 6.277 -1.500 -12.813 1.00 0.00 C ATOM 0 H ALA A 26 5.012 0.332 -15.037 1.00 0.00 H new ATOM 0 HA ALA A 26 6.237 -2.223 -14.841 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.129 -2.487 -12.374 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.343 -1.273 -12.843 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.763 -0.753 -12.208 1.00 0.00 H new ATOM 80 N ASN A 27 3.450 -0.746 -13.869 1.00 0.00 N ATOM 81 CA ASN A 27 1.997 -0.777 -13.681 1.00 0.00 C ATOM 82 C ASN A 27 1.249 -1.099 -14.997 1.00 0.00 C ATOM 83 O ASN A 27 0.783 -0.198 -15.715 1.00 0.00 O ATOM 84 CB ASN A 27 1.546 0.584 -13.056 1.00 0.00 C ATOM 85 CG ASN A 27 1.945 1.830 -13.873 1.00 0.00 C ATOM 86 OD1 ASN A 27 2.866 1.799 -14.696 1.00 0.00 O ATOM 87 ND2 ASN A 27 1.312 2.953 -13.602 1.00 0.00 N ATOM 0 H ASN A 27 3.842 0.188 -13.745 1.00 0.00 H new ATOM 0 HA ASN A 27 1.737 -1.585 -12.997 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.462 0.574 -12.940 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.973 0.669 -12.057 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.580 3.816 -14.075 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.554 2.959 -12.920 1.00 0.00 H new ATOM 94 N ASP A 28 1.168 -2.407 -15.310 1.00 0.00 N ATOM 95 CA ASP A 28 0.450 -2.900 -16.496 1.00 0.00 C ATOM 96 C ASP A 28 0.217 -4.416 -16.415 1.00 0.00 C ATOM 97 O ASP A 28 0.833 -5.123 -15.607 1.00 0.00 O ATOM 98 CB ASP A 28 1.220 -2.554 -17.807 1.00 0.00 C ATOM 99 CG ASP A 28 0.344 -2.606 -19.070 1.00 0.00 C ATOM 100 OD1 ASP A 28 -0.646 -1.861 -19.130 1.00 0.00 O ATOM 101 OD2 ASP A 28 0.609 -3.420 -19.972 1.00 0.00 O ATOM 0 H ASP A 28 1.596 -3.145 -14.751 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.518 -2.399 -16.517 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.649 -1.556 -17.714 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.052 -3.249 -17.924 1.00 0.00 H new ATOM 106 N ASP A 29 -0.652 -4.888 -17.309 1.00 0.00 N ATOM 107 CA ASP A 29 -1.051 -6.302 -17.405 1.00 0.00 C ATOM 108 C ASP A 29 0.007 -7.090 -18.187 1.00 0.00 C ATOM 109 O ASP A 29 0.271 -8.255 -17.897 1.00 0.00 O ATOM 110 CB ASP A 29 -2.432 -6.407 -18.096 1.00 0.00 C ATOM 111 CG ASP A 29 -2.992 -7.845 -18.151 1.00 0.00 C ATOM 112 OD1 ASP A 29 -3.646 -8.276 -17.180 1.00 0.00 O ATOM 113 OD2 ASP A 29 -2.793 -8.541 -19.171 1.00 0.00 O ATOM 0 H ASP A 29 -1.109 -4.293 -18.000 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.128 -6.727 -16.404 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.142 -5.770 -17.568 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.350 -6.019 -19.111 1.00 0.00 H new ATOM 118 N ALA A 30 0.630 -6.406 -19.166 1.00 0.00 N ATOM 119 CA ALA A 30 1.679 -6.983 -20.020 1.00 0.00 C ATOM 120 C ALA A 30 2.996 -7.198 -19.256 1.00 0.00 C ATOM 121 O ALA A 30 3.885 -7.910 -19.726 1.00 0.00 O ATOM 122 CB ALA A 30 1.900 -6.103 -21.242 1.00 0.00 C ATOM 0 H ALA A 30 0.417 -5.433 -19.385 1.00 0.00 H new ATOM 0 HA ALA A 30 1.338 -7.966 -20.345 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.679 -6.539 -21.868 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.973 -6.032 -21.812 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.206 -5.107 -20.922 1.00 0.00 H new ATOM 128 N VAL A 31 3.107 -6.553 -18.091 1.00 0.00 N ATOM 129 CA VAL A 31 4.234 -6.730 -17.164 1.00 0.00 C ATOM 130 C VAL A 31 3.886 -7.839 -16.150 1.00 0.00 C ATOM 131 O VAL A 31 4.760 -8.603 -15.720 1.00 0.00 O ATOM 132 CB VAL A 31 4.571 -5.381 -16.422 1.00 0.00 C ATOM 133 CG1 VAL A 31 5.853 -5.499 -15.554 1.00 0.00 C ATOM 134 CG2 VAL A 31 4.680 -4.209 -17.431 1.00 0.00 C ATOM 0 H VAL A 31 2.411 -5.886 -17.759 1.00 0.00 H new ATOM 0 HA VAL A 31 5.119 -7.023 -17.729 1.00 0.00 H new ATOM 0 HB VAL A 31 3.746 -5.168 -15.742 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.048 -4.547 -15.061 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.713 -6.275 -14.802 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.700 -5.758 -16.189 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.913 -3.289 -16.896 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.471 -4.421 -18.150 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.733 -4.093 -17.957 1.00 0.00 H new ATOM 144 N ASN A 32 2.588 -7.926 -15.799 1.00 0.00 N ATOM 145 CA ASN A 32 2.061 -8.940 -14.862 1.00 0.00 C ATOM 146 C ASN A 32 2.192 -10.362 -15.456 1.00 0.00 C ATOM 147 O ASN A 32 2.608 -11.293 -14.764 1.00 0.00 O ATOM 148 CB ASN A 32 0.577 -8.632 -14.509 1.00 0.00 C ATOM 149 CG ASN A 32 -0.050 -9.630 -13.521 1.00 0.00 C ATOM 150 OD1 ASN A 32 0.632 -10.205 -12.670 1.00 0.00 O ATOM 151 ND2 ASN A 32 -1.353 -9.828 -13.616 1.00 0.00 N ATOM 0 H ASN A 32 1.873 -7.294 -16.158 1.00 0.00 H new ATOM 0 HA ASN A 32 2.653 -8.899 -13.948 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.515 -7.630 -14.085 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.011 -8.627 -15.427 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.819 -10.470 -12.975 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.893 -9.339 -14.330 1.00 0.00 H new ATOM 158 N GLU A 33 1.867 -10.503 -16.758 1.00 0.00 N ATOM 159 CA GLU A 33 1.910 -11.803 -17.477 1.00 0.00 C ATOM 160 C GLU A 33 3.356 -12.343 -17.616 1.00 0.00 C ATOM 161 O GLU A 33 3.551 -13.527 -17.907 1.00 0.00 O ATOM 162 CB GLU A 33 1.254 -11.679 -18.878 1.00 0.00 C ATOM 163 CG GLU A 33 1.883 -10.590 -19.769 1.00 0.00 C ATOM 164 CD GLU A 33 1.354 -10.597 -21.214 1.00 0.00 C ATOM 165 OE1 GLU A 33 1.835 -11.416 -22.018 1.00 0.00 O ATOM 166 OE2 GLU A 33 0.454 -9.789 -21.545 1.00 0.00 O ATOM 0 H GLU A 33 1.567 -9.723 -17.343 1.00 0.00 H new ATOM 0 HA GLU A 33 1.343 -12.516 -16.878 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.327 -12.639 -19.389 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.193 -11.464 -18.753 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.691 -9.613 -19.325 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.964 -10.726 -19.786 1.00 0.00 H new ATOM 173 N GLN A 34 4.358 -11.460 -17.416 1.00 0.00 N ATOM 174 CA GLN A 34 5.791 -11.832 -17.439 1.00 0.00 C ATOM 175 C GLN A 34 6.178 -12.660 -16.190 1.00 0.00 C ATOM 176 O GLN A 34 7.211 -13.338 -16.184 1.00 0.00 O ATOM 177 CB GLN A 34 6.668 -10.558 -17.544 1.00 0.00 C ATOM 178 CG GLN A 34 6.452 -9.733 -18.832 1.00 0.00 C ATOM 179 CD GLN A 34 7.264 -8.429 -18.867 1.00 0.00 C ATOM 180 OE1 GLN A 34 8.329 -8.325 -18.260 1.00 0.00 O ATOM 181 NE2 GLN A 34 6.774 -7.433 -19.587 1.00 0.00 N ATOM 0 H GLN A 34 4.197 -10.469 -17.234 1.00 0.00 H new ATOM 0 HA GLN A 34 5.967 -12.456 -18.315 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.466 -9.922 -16.682 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.717 -10.849 -17.486 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.721 -10.343 -19.694 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.393 -9.495 -18.928 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.888 -7.548 -20.080 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.282 -6.551 -19.649 1.00 0.00 H new ATOM 190 N ILE A 35 5.349 -12.577 -15.131 1.00 0.00 N ATOM 191 CA ILE A 35 5.483 -13.432 -13.931 1.00 0.00 C ATOM 192 C ILE A 35 5.027 -14.869 -14.276 1.00 0.00 C ATOM 193 O ILE A 35 5.644 -15.856 -13.854 1.00 0.00 O ATOM 194 CB ILE A 35 4.655 -12.852 -12.718 1.00 0.00 C ATOM 195 CG1 ILE A 35 5.059 -11.363 -12.446 1.00 0.00 C ATOM 196 CG2 ILE A 35 4.819 -13.720 -11.439 1.00 0.00 C ATOM 197 CD1 ILE A 35 4.271 -10.665 -11.346 1.00 0.00 C ATOM 0 H ILE A 35 4.571 -11.919 -15.081 1.00 0.00 H new ATOM 0 HA ILE A 35 6.529 -13.450 -13.625 1.00 0.00 H new ATOM 0 HB ILE A 35 3.600 -12.881 -12.989 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.117 -11.333 -12.187 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.940 -10.797 -13.370 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.234 -13.287 -10.628 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.468 -14.733 -11.639 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.870 -13.750 -11.152 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.627 -9.641 -11.237 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.213 -10.655 -11.607 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.408 -11.199 -10.406 1.00 0.00 H new ATOM 209 N ASN A 36 3.943 -14.961 -15.070 1.00 0.00 N ATOM 210 CA ASN A 36 3.466 -16.234 -15.650 1.00 0.00 C ATOM 211 C ASN A 36 4.396 -16.659 -16.818 1.00 0.00 C ATOM 212 O ASN A 36 5.306 -15.908 -17.210 1.00 0.00 O ATOM 213 CB ASN A 36 1.998 -16.062 -16.146 1.00 0.00 C ATOM 214 CG ASN A 36 1.308 -17.368 -16.584 1.00 0.00 C ATOM 215 OD1 ASN A 36 1.561 -18.438 -16.029 1.00 0.00 O ATOM 216 ND2 ASN A 36 0.441 -17.293 -17.586 1.00 0.00 N ATOM 0 H ASN A 36 3.373 -14.156 -15.328 1.00 0.00 H new ATOM 0 HA ASN A 36 3.488 -17.016 -14.891 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.411 -15.607 -15.349 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.992 -15.365 -16.984 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.034 -18.134 -17.914 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.249 -16.394 -18.028 1.00 0.00 H new ATOM 223 N SER A 37 4.176 -17.880 -17.334 1.00 0.00 N ATOM 224 CA SER A 37 4.924 -18.460 -18.474 1.00 0.00 C ATOM 225 C SER A 37 6.380 -18.797 -18.090 1.00 0.00 C ATOM 226 O SER A 37 7.209 -19.059 -18.960 1.00 0.00 O ATOM 227 CB SER A 37 4.861 -17.561 -19.739 1.00 0.00 C ATOM 228 OG SER A 37 3.515 -17.234 -20.064 1.00 0.00 O ATOM 0 H SER A 37 3.461 -18.507 -16.967 1.00 0.00 H new ATOM 0 HA SER A 37 4.428 -19.397 -18.728 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.430 -16.647 -19.569 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.327 -18.076 -20.579 1.00 0.00 H new ATOM 0 HG SER A 37 3.500 -16.666 -20.863 1.00 0.00 H new ATOM 234 N THR A 38 6.663 -18.815 -16.774 1.00 0.00 N ATOM 235 CA THR A 38 7.983 -19.171 -16.231 1.00 0.00 C ATOM 236 C THR A 38 8.070 -20.695 -16.000 1.00 0.00 C ATOM 237 O THR A 38 9.079 -21.334 -16.336 1.00 0.00 O ATOM 238 CB THR A 38 8.255 -18.410 -14.890 1.00 0.00 C ATOM 239 OG1 THR A 38 8.197 -16.985 -15.110 1.00 0.00 O ATOM 240 CG2 THR A 38 9.620 -18.782 -14.274 1.00 0.00 C ATOM 0 H THR A 38 5.977 -18.581 -16.056 1.00 0.00 H new ATOM 0 HA THR A 38 8.742 -18.876 -16.956 1.00 0.00 H new ATOM 0 HB THR A 38 7.480 -18.711 -14.185 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.378 -16.625 -14.709 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.763 -18.229 -13.346 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.646 -19.852 -14.067 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.416 -18.528 -14.974 1.00 0.00 H new ATOM 248 N ILE A 39 6.977 -21.255 -15.446 1.00 0.00 N ATOM 249 CA ILE A 39 6.881 -22.681 -15.085 1.00 0.00 C ATOM 250 C ILE A 39 6.962 -23.532 -16.365 1.00 0.00 C ATOM 251 O ILE A 39 7.759 -24.477 -16.465 1.00 0.00 O ATOM 252 CB ILE A 39 5.537 -23.014 -14.300 1.00 0.00 C ATOM 253 CG1 ILE A 39 5.429 -22.243 -12.929 1.00 0.00 C ATOM 254 CG2 ILE A 39 5.377 -24.543 -14.078 1.00 0.00 C ATOM 255 CD1 ILE A 39 5.099 -20.753 -13.012 1.00 0.00 C ATOM 0 H ILE A 39 6.131 -20.726 -15.235 1.00 0.00 H new ATOM 0 HA ILE A 39 7.711 -22.915 -14.419 1.00 0.00 H new ATOM 0 HB ILE A 39 4.719 -22.666 -14.931 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.665 -22.729 -12.323 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.375 -22.355 -12.399 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.450 -24.737 -13.539 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.349 -25.050 -15.043 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.220 -24.916 -13.496 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.052 -20.334 -12.007 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.873 -20.240 -13.583 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.136 -20.621 -13.506 1.00 0.00 H new ATOM 267 N GLU A 40 6.163 -23.122 -17.358 1.00 0.00 N ATOM 268 CA GLU A 40 6.012 -23.842 -18.629 1.00 0.00 C ATOM 269 C GLU A 40 7.243 -23.627 -19.533 1.00 0.00 C ATOM 270 O GLU A 40 7.586 -24.515 -20.315 1.00 0.00 O ATOM 271 CB GLU A 40 4.704 -23.397 -19.328 1.00 0.00 C ATOM 272 CG GLU A 40 4.668 -21.916 -19.755 1.00 0.00 C ATOM 273 CD GLU A 40 3.275 -21.435 -20.200 1.00 0.00 C ATOM 274 OE1 GLU A 40 2.909 -21.633 -21.381 1.00 0.00 O ATOM 275 OE2 GLU A 40 2.539 -20.851 -19.367 1.00 0.00 O ATOM 0 H GLU A 40 5.598 -22.274 -17.302 1.00 0.00 H new ATOM 0 HA GLU A 40 5.946 -24.911 -18.428 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.551 -24.018 -20.210 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.867 -23.587 -18.656 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.007 -21.299 -18.923 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.373 -21.765 -20.572 1.00 0.00 H new ATOM 282 N ASP A 41 7.907 -22.455 -19.396 1.00 0.00 N ATOM 283 CA ASP A 41 9.158 -22.143 -20.131 1.00 0.00 C ATOM 284 C ASP A 41 10.279 -23.086 -19.697 1.00 0.00 C ATOM 285 O ASP A 41 11.026 -23.587 -20.530 1.00 0.00 O ATOM 286 CB ASP A 41 9.603 -20.673 -19.889 1.00 0.00 C ATOM 287 CG ASP A 41 10.956 -20.309 -20.554 1.00 0.00 C ATOM 288 OD1 ASP A 41 10.971 -19.968 -21.754 1.00 0.00 O ATOM 289 OD2 ASP A 41 12.013 -20.345 -19.865 1.00 0.00 O ATOM 0 H ASP A 41 7.595 -21.705 -18.779 1.00 0.00 H new ATOM 0 HA ASP A 41 8.957 -22.277 -21.194 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.831 -20.003 -20.268 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.678 -20.498 -18.816 1.00 0.00 H new ATOM 294 N ALA A 42 10.375 -23.309 -18.375 1.00 0.00 N ATOM 295 CA ALA A 42 11.405 -24.172 -17.773 1.00 0.00 C ATOM 296 C ALA A 42 11.314 -25.615 -18.316 1.00 0.00 C ATOM 297 O ALA A 42 12.336 -26.275 -18.533 1.00 0.00 O ATOM 298 CB ALA A 42 11.289 -24.139 -16.245 1.00 0.00 C ATOM 0 H ALA A 42 9.739 -22.895 -17.693 1.00 0.00 H new ATOM 0 HA ALA A 42 12.386 -23.788 -18.051 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.055 -24.780 -15.808 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.426 -23.117 -15.892 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.303 -24.496 -15.947 1.00 0.00 H new ATOM 304 N ILE A 43 10.081 -26.071 -18.564 1.00 0.00 N ATOM 305 CA ILE A 43 9.806 -27.413 -19.106 1.00 0.00 C ATOM 306 C ILE A 43 9.958 -27.420 -20.654 1.00 0.00 C ATOM 307 O ILE A 43 10.330 -28.441 -21.262 1.00 0.00 O ATOM 308 CB ILE A 43 8.365 -27.887 -18.687 1.00 0.00 C ATOM 309 CG1 ILE A 43 8.140 -27.716 -17.145 1.00 0.00 C ATOM 310 CG2 ILE A 43 8.100 -29.348 -19.117 1.00 0.00 C ATOM 311 CD1 ILE A 43 9.098 -28.502 -16.256 1.00 0.00 C ATOM 0 H ILE A 43 9.240 -25.519 -18.395 1.00 0.00 H new ATOM 0 HA ILE A 43 10.533 -28.110 -18.690 1.00 0.00 H new ATOM 0 HB ILE A 43 7.651 -27.251 -19.209 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.226 -26.658 -16.897 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.120 -28.018 -16.908 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.096 -29.641 -18.811 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.188 -29.430 -20.200 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.830 -30.005 -18.643 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.859 -28.315 -15.209 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.999 -29.567 -16.467 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.122 -28.186 -16.456 1.00 0.00 H new ATOM 323 N ALA A 44 9.683 -26.259 -21.278 1.00 0.00 N ATOM 324 CA ALA A 44 9.775 -26.080 -22.740 1.00 0.00 C ATOM 325 C ALA A 44 11.235 -25.954 -23.206 1.00 0.00 C ATOM 326 O ALA A 44 11.542 -26.270 -24.356 1.00 0.00 O ATOM 327 CB ALA A 44 8.966 -24.855 -23.180 1.00 0.00 C ATOM 0 H ALA A 44 9.390 -25.417 -20.782 1.00 0.00 H new ATOM 0 HA ALA A 44 9.354 -26.970 -23.209 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.044 -24.737 -24.261 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.920 -24.991 -22.904 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.358 -23.965 -22.688 1.00 0.00 H new ATOM 333 N ARG A 45 12.128 -25.484 -22.319 1.00 0.00 N ATOM 334 CA ARG A 45 13.576 -25.383 -22.612 1.00 0.00 C ATOM 335 C ARG A 45 14.288 -26.691 -22.228 1.00 0.00 C ATOM 336 O ARG A 45 15.377 -26.987 -22.729 1.00 0.00 O ATOM 337 CB ARG A 45 14.200 -24.157 -21.877 1.00 0.00 C ATOM 338 CG ARG A 45 14.218 -24.248 -20.331 1.00 0.00 C ATOM 339 CD ARG A 45 14.428 -22.883 -19.642 1.00 0.00 C ATOM 340 NE ARG A 45 15.717 -22.259 -19.986 1.00 0.00 N ATOM 341 CZ ARG A 45 16.018 -20.961 -19.822 1.00 0.00 C ATOM 342 NH1 ARG A 45 15.102 -20.093 -19.392 1.00 0.00 N ATOM 343 NH2 ARG A 45 17.233 -20.530 -20.131 1.00 0.00 N ATOM 0 H ARG A 45 11.874 -25.164 -21.384 1.00 0.00 H new ATOM 0 HA ARG A 45 13.710 -25.228 -23.683 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.224 -24.027 -22.228 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.648 -23.262 -22.165 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.277 -24.679 -19.988 1.00 0.00 H new ATOM 0 HG3 ARG A 45 15.012 -24.929 -20.023 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.618 -22.211 -19.925 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.371 -23.015 -18.561 1.00 0.00 H new ATOM 0 HE ARG A 45 16.439 -22.862 -20.381 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.156 -20.412 -19.182 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.347 -19.110 -19.273 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.930 -21.183 -20.490 1.00 0.00 H new ATOM 0 HH22 ARG A 45 17.471 -19.546 -20.010 1.00 0.00 H new ATOM 357 N ALA A 46 13.643 -27.472 -21.333 1.00 0.00 N ATOM 358 CA ALA A 46 14.152 -28.779 -20.886 1.00 0.00 C ATOM 359 C ALA A 46 13.945 -29.857 -21.967 1.00 0.00 C ATOM 360 O ALA A 46 14.891 -30.558 -22.343 1.00 0.00 O ATOM 361 CB ALA A 46 13.457 -29.194 -19.578 1.00 0.00 C ATOM 0 H ALA A 46 12.756 -27.210 -20.903 1.00 0.00 H new ATOM 0 HA ALA A 46 15.223 -28.685 -20.708 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.839 -30.162 -19.254 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.656 -28.449 -18.808 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.382 -29.265 -19.744 1.00 0.00 H new ATOM 367 N ARG A 47 12.696 -29.978 -22.467 1.00 0.00 N ATOM 368 CA ARG A 47 12.310 -31.051 -23.415 1.00 0.00 C ATOM 369 C ARG A 47 11.241 -30.609 -24.440 1.00 0.00 C ATOM 370 O ARG A 47 10.813 -31.420 -25.268 1.00 0.00 O ATOM 371 CB ARG A 47 11.871 -32.325 -22.619 1.00 0.00 C ATOM 372 CG ARG A 47 10.813 -32.130 -21.486 1.00 0.00 C ATOM 373 CD ARG A 47 9.373 -31.875 -21.986 1.00 0.00 C ATOM 374 NE ARG A 47 8.953 -32.865 -23.013 1.00 0.00 N ATOM 375 CZ ARG A 47 7.719 -33.375 -23.165 1.00 0.00 C ATOM 376 NH1 ARG A 47 6.756 -33.112 -22.290 1.00 0.00 N ATOM 377 NH2 ARG A 47 7.468 -34.182 -24.188 1.00 0.00 N ATOM 0 H ARG A 47 11.933 -29.344 -22.230 1.00 0.00 H new ATOM 0 HA ARG A 47 13.189 -31.292 -24.013 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.474 -33.048 -23.331 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.762 -32.770 -22.176 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.812 -33.017 -20.852 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.120 -31.292 -20.861 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.684 -31.915 -21.142 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.307 -30.870 -22.404 1.00 0.00 H new ATOM 0 HE ARG A 47 9.669 -33.187 -23.664 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.947 -32.514 -21.486 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.825 -33.508 -22.422 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.209 -34.411 -24.851 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.534 -34.574 -24.311 1.00 0.00 H new ATOM 391 N GLY A 48 10.810 -29.340 -24.373 1.00 0.00 N ATOM 392 CA GLY A 48 9.874 -28.783 -25.360 1.00 0.00 C ATOM 393 C GLY A 48 8.457 -29.315 -25.234 1.00 0.00 C ATOM 394 O GLY A 48 7.870 -29.755 -26.226 1.00 0.00 O ATOM 0 H GLY A 48 11.094 -28.682 -23.647 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.855 -27.698 -25.256 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.245 -29.001 -26.361 1.00 0.00 H new ATOM 398 N GLU A 49 7.913 -29.291 -24.004 1.00 0.00 N ATOM 399 CA GLU A 49 6.510 -29.672 -23.735 1.00 0.00 C ATOM 400 C GLU A 49 5.544 -28.705 -24.448 1.00 0.00 C ATOM 401 O GLU A 49 4.604 -29.131 -25.133 1.00 0.00 O ATOM 402 CB GLU A 49 6.246 -29.655 -22.210 1.00 0.00 C ATOM 403 CG GLU A 49 4.806 -30.012 -21.791 1.00 0.00 C ATOM 404 CD GLU A 49 4.563 -29.850 -20.279 1.00 0.00 C ATOM 405 OE1 GLU A 49 4.422 -28.698 -19.813 1.00 0.00 O ATOM 406 OE2 GLU A 49 4.525 -30.869 -19.554 1.00 0.00 O ATOM 0 H GLU A 49 8.429 -29.009 -23.170 1.00 0.00 H new ATOM 0 HA GLU A 49 6.340 -30.678 -24.118 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.931 -30.354 -21.731 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.484 -28.663 -21.827 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.107 -29.378 -22.336 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.594 -31.042 -22.079 1.00 0.00 H new ATOM 413 N ILE A 50 5.793 -27.403 -24.243 1.00 0.00 N ATOM 414 CA ILE A 50 5.096 -26.330 -24.954 1.00 0.00 C ATOM 415 C ILE A 50 5.504 -26.383 -26.448 1.00 0.00 C ATOM 416 O ILE A 50 6.706 -26.505 -26.744 1.00 0.00 O ATOM 417 CB ILE A 50 5.439 -24.923 -24.318 1.00 0.00 C ATOM 418 CG1 ILE A 50 4.976 -24.861 -22.822 1.00 0.00 C ATOM 419 CG2 ILE A 50 4.856 -23.745 -25.144 1.00 0.00 C ATOM 420 CD1 ILE A 50 3.481 -25.060 -22.599 1.00 0.00 C ATOM 0 H ILE A 50 6.487 -27.067 -23.576 1.00 0.00 H new ATOM 0 HA ILE A 50 4.018 -26.468 -24.868 1.00 0.00 H new ATOM 0 HB ILE A 50 6.523 -24.812 -24.343 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.516 -25.622 -22.259 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.264 -23.894 -22.409 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.119 -22.801 -24.667 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.268 -23.769 -26.153 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.771 -23.837 -25.193 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.261 -25.000 -21.533 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.928 -24.284 -23.128 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.184 -26.039 -22.976 1.00 0.00 H new ATOM 432 N PRO A 51 4.524 -26.326 -27.405 1.00 0.00 N ATOM 433 CA PRO A 51 4.819 -26.394 -28.856 1.00 0.00 C ATOM 434 C PRO A 51 5.569 -25.146 -29.370 1.00 0.00 C ATOM 435 O PRO A 51 6.000 -24.280 -28.591 1.00 0.00 O ATOM 436 CB PRO A 51 3.403 -26.510 -29.495 1.00 0.00 C ATOM 437 CG PRO A 51 2.495 -25.840 -28.514 1.00 0.00 C ATOM 438 CD PRO A 51 3.058 -26.189 -27.152 1.00 0.00 C ATOM 0 HA PRO A 51 5.481 -27.223 -29.107 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.365 -26.022 -30.469 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.121 -27.552 -29.650 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.476 -24.761 -28.668 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.470 -26.195 -28.620 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.848 -25.410 -26.419 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.629 -27.114 -26.765 1.00 0.00 H new ATOM 446 N ARG A 52 5.684 -25.066 -30.699 1.00 0.00 N ATOM 447 CA ARG A 52 6.323 -23.941 -31.415 1.00 0.00 C ATOM 448 C ARG A 52 5.548 -22.599 -31.264 1.00 0.00 C ATOM 449 O ARG A 52 6.010 -21.556 -31.742 1.00 0.00 O ATOM 450 CB ARG A 52 6.482 -24.324 -32.911 1.00 0.00 C ATOM 451 CG ARG A 52 5.162 -24.748 -33.599 1.00 0.00 C ATOM 452 CD ARG A 52 5.352 -25.303 -35.025 1.00 0.00 C ATOM 453 NE ARG A 52 4.101 -25.886 -35.540 1.00 0.00 N ATOM 454 CZ ARG A 52 3.895 -26.339 -36.780 1.00 0.00 C ATOM 455 NH1 ARG A 52 4.843 -26.278 -37.713 1.00 0.00 N ATOM 456 NH2 ARG A 52 2.726 -26.873 -37.079 1.00 0.00 N ATOM 0 H ARG A 52 5.332 -25.790 -31.325 1.00 0.00 H new ATOM 0 HA ARG A 52 7.300 -23.769 -30.963 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.903 -23.475 -33.449 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.200 -25.140 -32.992 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.672 -25.505 -32.987 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.493 -23.889 -33.640 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.684 -24.504 -35.688 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.135 -26.061 -35.022 1.00 0.00 H new ATOM 0 HE ARG A 52 3.319 -25.950 -34.889 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.754 -25.878 -37.489 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.658 -26.632 -38.652 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.997 -26.935 -36.368 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.551 -27.224 -38.021 1.00 0.00 H new ATOM 470 N GLY A 53 4.385 -22.639 -30.585 1.00 0.00 N ATOM 471 CA GLY A 53 3.519 -21.465 -30.412 1.00 0.00 C ATOM 472 C GLY A 53 2.416 -21.434 -31.457 1.00 0.00 C ATOM 473 O GLY A 53 1.967 -20.363 -31.888 1.00 0.00 O ATOM 0 H GLY A 53 4.024 -23.485 -30.144 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.078 -21.479 -29.415 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.116 -20.556 -30.483 1.00 0.00 H new ATOM 477 N GLU A 54 1.991 -22.636 -31.861 1.00 0.00 N ATOM 478 CA GLU A 54 0.952 -22.839 -32.879 1.00 0.00 C ATOM 479 C GLU A 54 -0.442 -22.959 -32.213 1.00 0.00 C ATOM 480 O GLU A 54 -0.580 -22.789 -30.993 1.00 0.00 O ATOM 481 CB GLU A 54 1.266 -24.129 -33.689 1.00 0.00 C ATOM 482 CG GLU A 54 1.170 -25.431 -32.863 1.00 0.00 C ATOM 483 CD GLU A 54 1.526 -26.689 -33.666 1.00 0.00 C ATOM 484 OE1 GLU A 54 0.857 -26.965 -34.683 1.00 0.00 O ATOM 485 OE2 GLU A 54 2.505 -27.369 -33.322 1.00 0.00 O ATOM 0 H GLU A 54 2.364 -23.508 -31.485 1.00 0.00 H new ATOM 0 HA GLU A 54 0.941 -21.981 -33.551 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.576 -24.194 -34.531 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.270 -24.049 -34.105 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.836 -25.357 -32.003 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.157 -25.532 -32.474 1.00 0.00 H new ATOM 492 N SER A 55 -1.456 -23.257 -33.035 1.00 0.00 N ATOM 493 CA SER A 55 -2.824 -23.525 -32.583 1.00 0.00 C ATOM 494 C SER A 55 -2.923 -24.917 -31.931 1.00 0.00 C ATOM 495 O SER A 55 -2.291 -25.880 -32.383 1.00 0.00 O ATOM 496 CB SER A 55 -3.776 -23.419 -33.784 1.00 0.00 C ATOM 497 OG SER A 55 -3.299 -24.182 -34.881 1.00 0.00 O ATOM 0 H SER A 55 -1.346 -23.319 -34.047 1.00 0.00 H new ATOM 0 HA SER A 55 -3.106 -22.789 -31.830 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.768 -23.768 -33.498 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.879 -22.375 -34.080 1.00 0.00 H new ATOM 0 HG SER A 55 -3.303 -23.629 -35.690 1.00 0.00 H new ATOM 503 N LEU A 56 -3.718 -24.989 -30.862 1.00 0.00 N ATOM 504 CA LEU A 56 -3.975 -26.224 -30.106 1.00 0.00 C ATOM 505 C LEU A 56 -5.297 -26.871 -30.583 1.00 0.00 C ATOM 506 O LEU A 56 -6.030 -26.271 -31.378 1.00 0.00 O ATOM 507 CB LEU A 56 -3.971 -25.894 -28.572 1.00 0.00 C ATOM 508 CG LEU A 56 -4.721 -24.584 -28.122 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.245 -24.710 -28.224 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.308 -24.135 -26.707 1.00 0.00 C ATOM 0 H LEU A 56 -4.212 -24.179 -30.488 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.189 -26.957 -30.286 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.414 -26.737 -28.043 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.934 -25.821 -28.244 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.410 -23.811 -28.825 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.710 -23.778 -27.901 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.525 -24.916 -29.257 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.586 -25.525 -27.586 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.851 -23.228 -26.440 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.544 -24.923 -25.992 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.237 -23.936 -26.687 1.00 0.00 H new ATOM 522 N ASP A 57 -5.595 -28.086 -30.083 1.00 0.00 N ATOM 523 CA ASP A 57 -6.813 -28.855 -30.463 1.00 0.00 C ATOM 524 C ASP A 57 -7.805 -28.978 -29.284 1.00 0.00 C ATOM 525 O ASP A 57 -8.876 -29.574 -29.426 1.00 0.00 O ATOM 526 CB ASP A 57 -6.423 -30.263 -30.979 1.00 0.00 C ATOM 527 CG ASP A 57 -5.770 -31.153 -29.903 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.602 -30.897 -29.543 1.00 0.00 O ATOM 529 OD2 ASP A 57 -6.416 -32.106 -29.420 1.00 0.00 O ATOM 0 H ASP A 57 -5.004 -28.568 -29.405 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.311 -28.305 -31.261 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.314 -30.762 -31.360 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.735 -30.156 -31.818 1.00 0.00 H new ATOM 534 N GLU A 58 -7.462 -28.354 -28.147 1.00 0.00 N ATOM 535 CA GLU A 58 -8.224 -28.433 -26.880 1.00 0.00 C ATOM 536 C GLU A 58 -8.292 -27.040 -26.236 1.00 0.00 C ATOM 537 O GLU A 58 -7.272 -26.510 -25.790 1.00 0.00 O ATOM 538 CB GLU A 58 -7.581 -29.451 -25.895 1.00 0.00 C ATOM 539 CG GLU A 58 -7.671 -30.914 -26.346 1.00 0.00 C ATOM 540 CD GLU A 58 -6.961 -31.874 -25.386 1.00 0.00 C ATOM 541 OE1 GLU A 58 -5.718 -32.012 -25.479 1.00 0.00 O ATOM 542 OE2 GLU A 58 -7.629 -32.488 -24.527 1.00 0.00 O ATOM 0 H GLU A 58 -6.631 -27.767 -28.075 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.232 -28.782 -27.104 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.532 -29.190 -25.756 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.065 -29.353 -24.923 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.719 -31.200 -26.430 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.234 -31.011 -27.340 1.00 0.00 H new ATOM 549 N CYS A 59 -9.498 -26.454 -26.254 1.00 0.00 N ATOM 550 CA CYS A 59 -9.822 -25.142 -25.647 1.00 0.00 C ATOM 551 C CYS A 59 -9.292 -25.017 -24.212 1.00 0.00 C ATOM 552 O CYS A 59 -9.668 -25.816 -23.368 1.00 0.00 O ATOM 553 CB CYS A 59 -11.355 -25.008 -25.657 1.00 0.00 C ATOM 554 SG CYS A 59 -12.022 -23.526 -24.851 1.00 0.00 S ATOM 0 H CYS A 59 -10.304 -26.888 -26.704 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.344 -24.348 -26.221 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.695 -25.020 -26.692 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.781 -25.886 -25.171 1.00 0.00 H new ATOM 559 N GLU A 60 -8.461 -23.986 -23.935 1.00 0.00 N ATOM 560 CA GLU A 60 -7.813 -23.818 -22.605 1.00 0.00 C ATOM 561 C GLU A 60 -8.842 -23.552 -21.477 1.00 0.00 C ATOM 562 O GLU A 60 -8.510 -23.644 -20.292 1.00 0.00 O ATOM 563 CB GLU A 60 -6.761 -22.672 -22.643 1.00 0.00 C ATOM 564 CG GLU A 60 -7.348 -21.274 -22.931 1.00 0.00 C ATOM 565 CD GLU A 60 -6.336 -20.135 -22.732 1.00 0.00 C ATOM 566 OE1 GLU A 60 -5.328 -20.086 -23.461 1.00 0.00 O ATOM 567 OE2 GLU A 60 -6.548 -19.274 -21.856 1.00 0.00 O ATOM 0 H GLU A 60 -8.221 -23.259 -24.609 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.312 -24.760 -22.380 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.239 -22.643 -21.686 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.017 -22.904 -23.405 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.717 -21.247 -23.956 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.205 -21.107 -22.279 1.00 0.00 H new ATOM 574 N GLU A 61 -10.090 -23.223 -21.866 1.00 0.00 N ATOM 575 CA GLU A 61 -11.178 -22.890 -20.935 1.00 0.00 C ATOM 576 C GLU A 61 -11.990 -24.147 -20.595 1.00 0.00 C ATOM 577 O GLU A 61 -11.938 -24.643 -19.472 1.00 0.00 O ATOM 578 CB GLU A 61 -12.082 -21.803 -21.575 1.00 0.00 C ATOM 579 CG GLU A 61 -11.309 -20.576 -22.086 1.00 0.00 C ATOM 580 CD GLU A 61 -10.664 -19.724 -20.974 1.00 0.00 C ATOM 581 OE1 GLU A 61 -9.560 -20.064 -20.489 1.00 0.00 O ATOM 582 OE2 GLU A 61 -11.263 -18.702 -20.580 1.00 0.00 O ATOM 0 H GLU A 61 -10.370 -23.182 -22.846 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.759 -22.501 -20.007 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.634 -22.245 -22.405 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.818 -21.477 -20.840 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.529 -20.911 -22.769 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.988 -19.947 -22.662 1.00 0.00 H new ATOM 589 N CYS A 62 -12.709 -24.690 -21.599 1.00 0.00 N ATOM 590 CA CYS A 62 -13.698 -25.762 -21.372 1.00 0.00 C ATOM 591 C CYS A 62 -13.286 -27.097 -22.028 1.00 0.00 C ATOM 592 O CYS A 62 -14.111 -28.008 -22.144 1.00 0.00 O ATOM 593 CB CYS A 62 -15.090 -25.301 -21.867 1.00 0.00 C ATOM 594 SG CYS A 62 -15.298 -25.190 -23.677 1.00 0.00 S ATOM 0 H CYS A 62 -12.623 -24.403 -22.574 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.743 -25.952 -20.300 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.839 -25.990 -21.477 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.301 -24.322 -21.436 1.00 0.00 H new ATOM 599 N GLY A 63 -11.997 -27.204 -22.432 1.00 0.00 N ATOM 600 CA GLY A 63 -11.432 -28.420 -23.069 1.00 0.00 C ATOM 601 C GLY A 63 -12.165 -28.900 -24.320 1.00 0.00 C ATOM 602 O GLY A 63 -12.000 -30.045 -24.733 1.00 0.00 O ATOM 0 H GLY A 63 -11.319 -26.450 -22.326 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.392 -28.224 -23.330 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.430 -29.227 -22.336 1.00 0.00 H new ATOM 606 N ALA A 64 -12.955 -28.002 -24.923 1.00 0.00 N ATOM 607 CA ALA A 64 -13.796 -28.316 -26.090 1.00 0.00 C ATOM 608 C ALA A 64 -12.937 -28.502 -27.361 1.00 0.00 C ATOM 609 O ALA A 64 -11.909 -27.812 -27.504 1.00 0.00 O ATOM 610 CB ALA A 64 -14.830 -27.203 -26.294 1.00 0.00 C ATOM 0 H ALA A 64 -13.030 -27.032 -24.615 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.315 -29.256 -25.903 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.451 -27.438 -27.158 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.458 -27.123 -25.407 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.317 -26.256 -26.462 1.00 0.00 H new ATOM 616 N PRO A 65 -13.355 -29.411 -28.307 1.00 0.00 N ATOM 617 CA PRO A 65 -12.588 -29.700 -29.539 1.00 0.00 C ATOM 618 C PRO A 65 -12.449 -28.440 -30.419 1.00 0.00 C ATOM 619 O PRO A 65 -13.444 -27.928 -30.946 1.00 0.00 O ATOM 620 CB PRO A 65 -13.425 -30.808 -30.241 1.00 0.00 C ATOM 621 CG PRO A 65 -14.807 -30.646 -29.688 1.00 0.00 C ATOM 622 CD PRO A 65 -14.612 -30.210 -28.255 1.00 0.00 C ATOM 0 HA PRO A 65 -11.565 -30.017 -29.339 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.415 -30.686 -31.324 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.027 -31.800 -30.028 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.372 -29.904 -30.252 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.365 -31.581 -29.743 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.452 -29.615 -27.898 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.518 -31.064 -27.584 1.00 0.00 H new ATOM 630 N ILE A 66 -11.217 -27.914 -30.494 1.00 0.00 N ATOM 631 CA ILE A 66 -10.879 -26.772 -31.353 1.00 0.00 C ATOM 632 C ILE A 66 -11.017 -27.188 -32.830 1.00 0.00 C ATOM 633 O ILE A 66 -10.266 -28.072 -33.278 1.00 0.00 O ATOM 634 CB ILE A 66 -9.414 -26.268 -31.076 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.248 -25.842 -29.593 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.018 -25.110 -32.030 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.793 -24.488 -29.255 1.00 0.00 C ATOM 0 H ILE A 66 -10.426 -28.271 -29.958 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.565 -25.955 -31.131 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.738 -27.100 -31.272 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.739 -26.582 -28.962 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.188 -25.863 -29.342 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.000 -24.788 -31.809 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.073 -25.454 -33.063 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.702 -24.273 -31.889 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.629 -24.283 -28.197 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.286 -23.732 -29.854 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.862 -24.463 -29.468 1.00 0.00 H new ATOM 649 N PRO A 67 -11.982 -26.596 -33.605 1.00 0.00 N ATOM 650 CA PRO A 67 -12.117 -26.897 -35.043 1.00 0.00 C ATOM 651 C PRO A 67 -10.913 -26.339 -35.824 1.00 0.00 C ATOM 652 O PRO A 67 -10.377 -25.273 -35.471 1.00 0.00 O ATOM 653 CB PRO A 67 -13.449 -26.204 -35.441 1.00 0.00 C ATOM 654 CG PRO A 67 -13.607 -25.093 -34.449 1.00 0.00 C ATOM 655 CD PRO A 67 -13.002 -25.603 -33.155 1.00 0.00 C ATOM 0 HA PRO A 67 -12.134 -27.964 -35.266 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.408 -25.822 -36.461 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.287 -26.899 -35.395 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.099 -24.191 -34.789 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.658 -24.836 -34.314 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.548 -24.796 -32.580 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.755 -26.065 -32.516 1.00 0.00 H new ATOM 663 N GLN A 68 -10.505 -27.061 -36.884 1.00 0.00 N ATOM 664 CA GLN A 68 -9.372 -26.664 -37.736 1.00 0.00 C ATOM 665 C GLN A 68 -9.652 -25.301 -38.414 1.00 0.00 C ATOM 666 O GLN A 68 -8.720 -24.613 -38.830 1.00 0.00 O ATOM 667 CB GLN A 68 -9.052 -27.774 -38.790 1.00 0.00 C ATOM 668 CG GLN A 68 -10.063 -27.908 -39.973 1.00 0.00 C ATOM 669 CD GLN A 68 -9.603 -27.289 -41.319 1.00 0.00 C ATOM 670 OE1 GLN A 68 -8.704 -26.299 -41.287 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -10.040 -27.722 -42.387 1.00 0.00 N flip ATOM 0 H GLN A 68 -10.950 -27.932 -37.172 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.490 -26.547 -37.106 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.063 -27.579 -39.204 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.998 -28.733 -38.274 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.271 -28.966 -40.132 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.002 -27.439 -39.680 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.725 -28.478 -42.389 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.716 -27.325 -43.269 1.00 0.00 H new ATOM 680 N ALA A 69 -10.960 -24.941 -38.489 1.00 0.00 N ATOM 681 CA ALA A 69 -11.440 -23.657 -39.008 1.00 0.00 C ATOM 682 C ALA A 69 -10.834 -22.504 -38.197 1.00 0.00 C ATOM 683 O ALA A 69 -10.292 -21.563 -38.752 1.00 0.00 O ATOM 684 CB ALA A 69 -12.983 -23.607 -38.955 1.00 0.00 C ATOM 0 H ALA A 69 -11.715 -25.554 -38.182 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.127 -23.553 -40.047 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.330 -22.649 -39.343 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.394 -24.414 -39.561 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.316 -23.723 -37.923 1.00 0.00 H new ATOM 690 N ARG A 70 -10.911 -22.624 -36.870 1.00 0.00 N ATOM 691 CA ARG A 70 -10.367 -21.624 -35.932 1.00 0.00 C ATOM 692 C ARG A 70 -8.833 -21.650 -35.911 1.00 0.00 C ATOM 693 O ARG A 70 -8.198 -20.631 -35.649 1.00 0.00 O ATOM 694 CB ARG A 70 -10.975 -21.819 -34.517 1.00 0.00 C ATOM 695 CG ARG A 70 -12.494 -21.536 -34.486 1.00 0.00 C ATOM 696 CD ARG A 70 -12.826 -20.060 -34.803 1.00 0.00 C ATOM 697 NE ARG A 70 -14.234 -19.874 -35.216 1.00 0.00 N ATOM 698 CZ ARG A 70 -14.693 -19.964 -36.488 1.00 0.00 C ATOM 699 NH1 ARG A 70 -13.871 -20.279 -37.493 1.00 0.00 N ATOM 700 NH2 ARG A 70 -15.977 -19.745 -36.745 1.00 0.00 N ATOM 0 H ARG A 70 -11.353 -23.419 -36.408 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.656 -20.633 -36.281 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.791 -22.840 -34.183 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.470 -21.157 -33.813 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.996 -22.181 -35.207 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.888 -21.791 -33.502 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.625 -19.448 -33.924 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.168 -19.705 -35.596 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.913 -19.661 -34.486 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.884 -20.455 -37.308 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.231 -20.343 -38.445 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.616 -19.509 -35.986 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.324 -19.812 -37.702 1.00 0.00 H new ATOM 714 N ARG A 71 -8.249 -22.832 -36.181 1.00 0.00 N ATOM 715 CA ARG A 71 -6.782 -23.012 -36.206 1.00 0.00 C ATOM 716 C ARG A 71 -6.138 -22.309 -37.419 1.00 0.00 C ATOM 717 O ARG A 71 -5.030 -21.764 -37.306 1.00 0.00 O ATOM 718 CB ARG A 71 -6.416 -24.522 -36.170 1.00 0.00 C ATOM 719 CG ARG A 71 -7.034 -25.275 -34.965 1.00 0.00 C ATOM 720 CD ARG A 71 -6.371 -26.628 -34.654 1.00 0.00 C ATOM 721 NE ARG A 71 -6.350 -27.540 -35.814 1.00 0.00 N ATOM 722 CZ ARG A 71 -6.700 -28.837 -35.792 1.00 0.00 C ATOM 723 NH1 ARG A 71 -7.251 -29.374 -34.710 1.00 0.00 N ATOM 724 NH2 ARG A 71 -6.514 -29.579 -36.871 1.00 0.00 N ATOM 0 H ARG A 71 -8.773 -23.683 -36.386 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.375 -22.540 -35.312 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.752 -24.992 -37.094 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.331 -24.625 -36.136 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.967 -24.640 -34.082 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.094 -25.440 -35.160 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.349 -26.456 -34.315 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.903 -27.107 -33.832 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.044 -27.153 -36.707 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.413 -28.801 -33.882 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.512 -30.360 -34.707 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.108 -29.166 -37.710 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.777 -30.565 -36.864 1.00 0.00 H new ATOM 738 N GLU A 72 -6.832 -22.314 -38.578 1.00 0.00 N ATOM 739 CA GLU A 72 -6.332 -21.639 -39.798 1.00 0.00 C ATOM 740 C GLU A 72 -6.764 -20.161 -39.839 1.00 0.00 C ATOM 741 O GLU A 72 -6.041 -19.315 -40.375 1.00 0.00 O ATOM 742 CB GLU A 72 -6.743 -22.430 -41.083 1.00 0.00 C ATOM 743 CG GLU A 72 -8.258 -22.613 -41.349 1.00 0.00 C ATOM 744 CD GLU A 72 -8.949 -21.400 -42.008 1.00 0.00 C ATOM 745 OE1 GLU A 72 -8.444 -20.896 -43.034 1.00 0.00 O ATOM 746 OE2 GLU A 72 -10.008 -20.957 -41.520 1.00 0.00 O ATOM 0 H GLU A 72 -7.734 -22.775 -38.695 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.242 -21.637 -39.768 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.308 -21.924 -41.945 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.288 -23.419 -41.031 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.398 -23.485 -41.988 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.756 -22.828 -40.403 1.00 0.00 H new ATOM 753 N ALA A 73 -7.947 -19.860 -39.269 1.00 0.00 N ATOM 754 CA ALA A 73 -8.465 -18.474 -39.164 1.00 0.00 C ATOM 755 C ALA A 73 -7.613 -17.650 -38.191 1.00 0.00 C ATOM 756 O ALA A 73 -7.332 -16.468 -38.426 1.00 0.00 O ATOM 757 CB ALA A 73 -9.939 -18.474 -38.709 1.00 0.00 C ATOM 0 H ALA A 73 -8.570 -20.562 -38.870 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.407 -18.017 -40.152 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.298 -17.447 -38.639 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.543 -19.021 -39.433 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.019 -18.954 -37.733 1.00 0.00 H new ATOM 763 N ILE A 74 -7.207 -18.304 -37.088 1.00 0.00 N ATOM 764 CA ILE A 74 -6.462 -17.670 -35.994 1.00 0.00 C ATOM 765 C ILE A 74 -5.151 -18.452 -35.771 1.00 0.00 C ATOM 766 O ILE A 74 -5.182 -19.554 -35.195 1.00 0.00 O ATOM 767 CB ILE A 74 -7.312 -17.651 -34.664 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.765 -17.144 -34.945 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.614 -16.807 -33.562 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.722 -17.290 -33.785 1.00 0.00 C ATOM 0 H ILE A 74 -7.390 -19.295 -36.933 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.243 -16.637 -36.263 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.382 -18.673 -34.290 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.719 -16.093 -35.230 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.166 -17.689 -35.800 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.224 -16.813 -32.658 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.635 -17.233 -33.342 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.493 -15.782 -33.911 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.703 -16.913 -34.073 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.804 -18.342 -33.511 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.350 -16.721 -32.933 1.00 0.00 H new ATOM 782 N PRO A 75 -3.983 -17.925 -36.269 1.00 0.00 N ATOM 783 CA PRO A 75 -2.661 -18.517 -35.982 1.00 0.00 C ATOM 784 C PRO A 75 -2.365 -18.466 -34.464 1.00 0.00 C ATOM 785 O PRO A 75 -2.215 -17.382 -33.882 1.00 0.00 O ATOM 786 CB PRO A 75 -1.673 -17.647 -36.816 1.00 0.00 C ATOM 787 CG PRO A 75 -2.405 -16.360 -37.053 1.00 0.00 C ATOM 788 CD PRO A 75 -3.868 -16.733 -37.153 1.00 0.00 C ATOM 0 HA PRO A 75 -2.587 -19.571 -36.249 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.741 -17.479 -36.276 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.413 -18.134 -37.756 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.235 -15.657 -36.237 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.061 -15.877 -37.967 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.513 -15.921 -36.818 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.154 -16.965 -38.179 1.00 0.00 H new ATOM 796 N GLY A 76 -2.356 -19.650 -33.832 1.00 0.00 N ATOM 797 CA GLY A 76 -2.153 -19.764 -32.386 1.00 0.00 C ATOM 798 C GLY A 76 -3.442 -19.566 -31.590 1.00 0.00 C ATOM 799 O GLY A 76 -3.437 -18.885 -30.552 1.00 0.00 O ATOM 0 H GLY A 76 -2.488 -20.544 -34.306 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.738 -20.746 -32.158 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.418 -19.025 -32.068 1.00 0.00 H new ATOM 803 N VAL A 77 -4.556 -20.162 -32.077 1.00 0.00 N ATOM 804 CA VAL A 77 -5.853 -20.112 -31.373 1.00 0.00 C ATOM 805 C VAL A 77 -5.785 -20.950 -30.084 1.00 0.00 C ATOM 806 O VAL A 77 -5.130 -21.998 -30.049 1.00 0.00 O ATOM 807 CB VAL A 77 -7.058 -20.598 -32.274 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.945 -22.091 -32.638 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.424 -20.290 -31.608 1.00 0.00 C ATOM 0 H VAL A 77 -4.579 -20.682 -32.954 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.042 -19.067 -31.126 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.002 -20.033 -33.205 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.794 -22.380 -33.257 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.020 -22.262 -33.188 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.941 -22.688 -31.726 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.230 -20.637 -32.254 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.484 -20.801 -30.647 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.520 -19.215 -31.454 1.00 0.00 H new ATOM 819 N ARG A 78 -6.451 -20.465 -29.031 1.00 0.00 N ATOM 820 CA ARG A 78 -6.461 -21.108 -27.702 1.00 0.00 C ATOM 821 C ARG A 78 -7.890 -21.230 -27.132 1.00 0.00 C ATOM 822 O ARG A 78 -8.093 -21.759 -26.036 1.00 0.00 O ATOM 823 CB ARG A 78 -5.450 -20.392 -26.736 1.00 0.00 C ATOM 824 CG ARG A 78 -5.154 -18.899 -27.036 1.00 0.00 C ATOM 825 CD ARG A 78 -6.309 -17.956 -26.679 1.00 0.00 C ATOM 826 NE ARG A 78 -6.469 -17.814 -25.216 1.00 0.00 N ATOM 827 CZ ARG A 78 -6.897 -16.718 -24.576 1.00 0.00 C ATOM 828 NH1 ARG A 78 -7.227 -15.621 -25.247 1.00 0.00 N ATOM 829 NH2 ARG A 78 -6.975 -16.720 -23.258 1.00 0.00 N ATOM 0 H ARG A 78 -7.004 -19.609 -29.072 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.112 -22.135 -27.808 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.836 -20.467 -25.720 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.508 -20.939 -26.760 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.265 -18.596 -26.482 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.922 -18.790 -28.095 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.129 -16.976 -27.122 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.235 -18.336 -27.111 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.232 -18.624 -24.642 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.156 -15.605 -26.264 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.551 -14.794 -24.745 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.710 -17.553 -22.733 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.300 -15.888 -22.765 1.00 0.00 H new ATOM 843 N LEU A 79 -8.891 -20.812 -27.928 1.00 0.00 N ATOM 844 CA LEU A 79 -10.314 -20.811 -27.523 1.00 0.00 C ATOM 845 C LEU A 79 -11.166 -21.505 -28.596 1.00 0.00 C ATOM 846 O LEU A 79 -10.969 -21.259 -29.791 1.00 0.00 O ATOM 847 CB LEU A 79 -10.805 -19.351 -27.313 1.00 0.00 C ATOM 848 CG LEU A 79 -9.995 -18.519 -26.281 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.403 -17.030 -26.298 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.124 -19.123 -24.881 1.00 0.00 C ATOM 0 H LEU A 79 -8.738 -20.464 -28.874 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.416 -21.356 -26.585 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.778 -18.835 -28.273 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.847 -19.378 -26.995 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.945 -18.560 -26.570 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.814 -16.483 -25.562 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.222 -16.615 -27.289 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.462 -16.940 -26.054 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.550 -18.526 -24.173 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.172 -19.130 -24.583 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.742 -20.144 -24.889 1.00 0.00 H new ATOM 862 N CYS A 80 -12.100 -22.389 -28.164 1.00 0.00 N ATOM 863 CA CYS A 80 -13.031 -23.094 -29.088 1.00 0.00 C ATOM 864 C CYS A 80 -13.965 -22.084 -29.736 1.00 0.00 C ATOM 865 O CYS A 80 -14.097 -20.983 -29.218 1.00 0.00 O ATOM 866 CB CYS A 80 -13.837 -24.183 -28.343 1.00 0.00 C ATOM 867 SG CYS A 80 -15.051 -23.542 -27.149 1.00 0.00 S ATOM 0 H CYS A 80 -12.230 -22.632 -27.182 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.446 -23.590 -29.863 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.358 -24.797 -29.077 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.141 -24.837 -27.818 1.00 0.00 H new ATOM 872 N ILE A 81 -14.643 -22.481 -30.830 1.00 0.00 N ATOM 873 CA ILE A 81 -15.482 -21.572 -31.649 1.00 0.00 C ATOM 874 C ILE A 81 -16.504 -20.785 -30.782 1.00 0.00 C ATOM 875 O ILE A 81 -16.851 -19.648 -31.096 1.00 0.00 O ATOM 876 CB ILE A 81 -16.212 -22.385 -32.794 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.048 -21.456 -33.732 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.086 -23.530 -32.220 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.690 -22.165 -34.921 1.00 0.00 C ATOM 0 H ILE A 81 -14.627 -23.441 -31.175 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.824 -20.835 -32.109 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.429 -22.840 -33.400 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.832 -20.979 -33.144 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.401 -20.662 -34.105 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.570 -24.064 -33.038 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.457 -24.221 -31.658 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.846 -23.112 -31.560 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.250 -21.443 -35.516 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -16.913 -22.619 -35.537 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.366 -22.940 -34.561 1.00 0.00 H new ATOM 891 N HIS A 82 -16.887 -21.390 -29.645 1.00 0.00 N ATOM 892 CA HIS A 82 -17.810 -20.799 -28.660 1.00 0.00 C ATOM 893 C HIS A 82 -17.095 -19.739 -27.780 1.00 0.00 C ATOM 894 O HIS A 82 -17.447 -18.555 -27.844 1.00 0.00 O ATOM 895 CB HIS A 82 -18.430 -21.926 -27.792 1.00 0.00 C ATOM 896 CG HIS A 82 -19.023 -23.034 -28.608 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.306 -23.002 -29.099 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.475 -24.182 -29.063 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.522 -24.085 -29.817 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.425 -24.812 -29.813 1.00 0.00 N ATOM 0 H HIS A 82 -16.559 -22.319 -29.380 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.609 -20.283 -29.192 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.662 -22.336 -27.136 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.202 -21.500 -27.151 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.473 -24.535 -28.869 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.443 -24.334 -30.323 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.304 -25.704 -30.294 1.00 0.00 H new ATOM 909 N CYS A 83 -16.050 -20.148 -27.001 1.00 0.00 N ATOM 910 CA CYS A 83 -15.323 -19.212 -26.091 1.00 0.00 C ATOM 911 C CYS A 83 -14.559 -18.137 -26.891 1.00 0.00 C ATOM 912 O CYS A 83 -14.167 -17.125 -26.325 1.00 0.00 O ATOM 913 CB CYS A 83 -14.318 -19.936 -25.147 1.00 0.00 C ATOM 914 SG CYS A 83 -15.004 -21.288 -24.140 1.00 0.00 S ATOM 0 H CYS A 83 -15.697 -21.105 -26.985 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.094 -18.747 -25.476 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.505 -20.337 -25.753 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.881 -19.196 -24.477 1.00 0.00 H new ATOM 919 N GLN A 84 -14.320 -18.371 -28.192 1.00 0.00 N ATOM 920 CA GLN A 84 -13.591 -17.421 -29.035 1.00 0.00 C ATOM 921 C GLN A 84 -14.545 -16.327 -29.553 1.00 0.00 C ATOM 922 O GLN A 84 -14.214 -15.161 -29.452 1.00 0.00 O ATOM 923 CB GLN A 84 -12.856 -18.142 -30.212 1.00 0.00 C ATOM 924 CG GLN A 84 -11.501 -17.514 -30.635 1.00 0.00 C ATOM 925 CD GLN A 84 -11.558 -16.002 -30.903 1.00 0.00 C ATOM 926 OE1 GLN A 84 -11.822 -15.553 -32.016 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.302 -15.202 -29.872 1.00 0.00 N ATOM 0 H GLN A 84 -14.624 -19.214 -28.680 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.823 -16.946 -28.425 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.683 -19.180 -29.928 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.518 -18.154 -31.078 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.766 -17.705 -29.853 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.146 -18.017 -31.535 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.086 -15.601 -28.958 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.322 -14.190 -29.995 1.00 0.00 H new ATOM 936 N GLN A 85 -15.718 -16.716 -30.101 1.00 0.00 N ATOM 937 CA GLN A 85 -16.650 -15.763 -30.754 1.00 0.00 C ATOM 938 C GLN A 85 -17.158 -14.670 -29.782 1.00 0.00 C ATOM 939 O GLN A 85 -17.429 -13.540 -30.198 1.00 0.00 O ATOM 940 CB GLN A 85 -17.845 -16.491 -31.411 1.00 0.00 C ATOM 941 CG GLN A 85 -18.824 -17.181 -30.442 1.00 0.00 C ATOM 942 CD GLN A 85 -19.960 -17.900 -31.168 1.00 0.00 C ATOM 943 OE1 GLN A 85 -21.017 -17.326 -31.423 1.00 0.00 O ATOM 944 NE2 GLN A 85 -19.731 -19.152 -31.538 1.00 0.00 N ATOM 0 H GLN A 85 -16.044 -17.683 -30.105 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.074 -15.268 -31.536 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -18.402 -15.769 -32.008 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -17.455 -17.241 -32.099 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -18.278 -17.898 -29.829 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -19.244 -16.437 -29.765 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -18.842 -19.597 -31.309 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -20.444 -19.671 -32.051 1.00 0.00 H new ATOM 953 N GLU A 86 -17.279 -15.037 -28.494 1.00 0.00 N ATOM 954 CA GLU A 86 -17.655 -14.096 -27.420 1.00 0.00 C ATOM 955 C GLU A 86 -16.473 -13.147 -27.112 1.00 0.00 C ATOM 956 O GLU A 86 -16.675 -11.947 -26.930 1.00 0.00 O ATOM 957 CB GLU A 86 -18.103 -14.867 -26.144 1.00 0.00 C ATOM 958 CG GLU A 86 -17.036 -15.814 -25.573 1.00 0.00 C ATOM 959 CD GLU A 86 -17.443 -16.454 -24.243 1.00 0.00 C ATOM 960 OE1 GLU A 86 -17.236 -15.822 -23.188 1.00 0.00 O ATOM 961 OE2 GLU A 86 -17.983 -17.585 -24.243 1.00 0.00 O ATOM 0 H GLU A 86 -17.120 -15.990 -28.167 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.500 -13.496 -27.757 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.381 -14.145 -25.376 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.998 -15.444 -26.377 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.832 -16.601 -26.299 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -16.107 -15.261 -25.433 1.00 0.00 H new ATOM 968 N LYS A 87 -15.232 -13.699 -27.101 1.00 0.00 N ATOM 969 CA LYS A 87 -13.992 -12.925 -26.863 1.00 0.00 C ATOM 970 C LYS A 87 -13.618 -12.077 -28.083 1.00 0.00 C ATOM 971 O LYS A 87 -12.842 -11.128 -27.961 1.00 0.00 O ATOM 972 CB LYS A 87 -12.816 -13.841 -26.444 1.00 0.00 C ATOM 973 CG LYS A 87 -13.002 -14.522 -25.067 1.00 0.00 C ATOM 974 CD LYS A 87 -13.347 -13.528 -23.931 1.00 0.00 C ATOM 975 CE LYS A 87 -13.346 -14.186 -22.539 1.00 0.00 C ATOM 976 NZ LYS A 87 -11.983 -14.630 -22.140 1.00 0.00 N ATOM 0 H LYS A 87 -15.066 -14.693 -27.257 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.193 -12.247 -26.033 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.682 -14.612 -27.203 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.900 -13.251 -26.424 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.795 -15.266 -25.142 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.088 -15.056 -24.807 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.628 -12.709 -23.941 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.328 -13.093 -24.121 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.729 -13.479 -21.802 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.021 -15.042 -22.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.985 -14.895 -21.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.703 -15.451 -22.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.307 -13.855 -22.292 1.00 0.00 H new ATOM 990 N ASP A 88 -14.140 -12.457 -29.257 1.00 0.00 N ATOM 991 CA ASP A 88 -13.966 -11.702 -30.504 1.00 0.00 C ATOM 992 C ASP A 88 -14.597 -10.303 -30.358 1.00 0.00 C ATOM 993 O ASP A 88 -14.052 -9.300 -30.820 1.00 0.00 O ATOM 994 CB ASP A 88 -14.596 -12.463 -31.697 1.00 0.00 C ATOM 995 CG ASP A 88 -14.317 -11.787 -33.052 1.00 0.00 C ATOM 996 OD1 ASP A 88 -13.229 -12.023 -33.619 1.00 0.00 O ATOM 997 OD2 ASP A 88 -15.171 -11.019 -33.551 1.00 0.00 O ATOM 0 H ASP A 88 -14.699 -13.303 -29.368 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.900 -11.590 -30.702 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.208 -13.481 -31.718 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.673 -12.535 -31.547 1.00 0.00 H new ATOM 1002 N LEU A 89 -15.735 -10.269 -29.649 1.00 0.00 N ATOM 1003 CA LEU A 89 -16.464 -9.026 -29.330 1.00 0.00 C ATOM 1004 C LEU A 89 -15.676 -8.189 -28.291 1.00 0.00 C ATOM 1005 O LEU A 89 -15.883 -6.978 -28.162 1.00 0.00 O ATOM 1006 CB LEU A 89 -17.879 -9.377 -28.767 1.00 0.00 C ATOM 1007 CG LEU A 89 -18.649 -10.521 -29.500 1.00 0.00 C ATOM 1008 CD1 LEU A 89 -20.021 -10.812 -28.846 1.00 0.00 C ATOM 1009 CD2 LEU A 89 -18.790 -10.232 -31.015 1.00 0.00 C ATOM 0 H LEU A 89 -16.181 -11.108 -29.277 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.573 -8.437 -30.241 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -17.771 -9.654 -27.718 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -18.493 -8.477 -28.798 1.00 0.00 H new ATOM 0 HG LEU A 89 -18.050 -11.425 -29.393 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -20.520 -11.614 -29.389 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -19.873 -11.113 -27.809 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -20.637 -9.914 -28.878 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -19.331 -11.049 -31.492 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -19.339 -9.301 -31.158 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -17.800 -10.142 -31.462 1.00 0.00 H new ATOM 1021 N GLN A 90 -14.783 -8.869 -27.534 1.00 0.00 N ATOM 1022 CA GLN A 90 -14.015 -8.266 -26.418 1.00 0.00 C ATOM 1023 C GLN A 90 -12.570 -7.927 -26.844 1.00 0.00 C ATOM 1024 O GLN A 90 -11.826 -7.339 -26.049 1.00 0.00 O ATOM 1025 CB GLN A 90 -13.998 -9.231 -25.187 1.00 0.00 C ATOM 1026 CG GLN A 90 -15.336 -9.947 -24.914 1.00 0.00 C ATOM 1027 CD GLN A 90 -16.538 -9.021 -24.731 1.00 0.00 C ATOM 1028 OE1 GLN A 90 -16.421 -7.895 -24.244 1.00 0.00 O ATOM 1029 NE2 GLN A 90 -17.706 -9.502 -25.124 1.00 0.00 N ATOM 0 H GLN A 90 -14.574 -9.856 -27.681 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.511 -7.336 -26.139 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -13.224 -9.983 -25.342 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.718 -8.663 -24.300 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -15.542 -10.627 -25.741 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -15.228 -10.558 -24.018 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -17.764 -10.439 -25.523 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -18.549 -8.936 -25.028 1.00 0.00 H new ATOM 1038 N LYS A 91 -12.173 -8.320 -28.082 1.00 0.00 N ATOM 1039 CA LYS A 91 -10.834 -8.025 -28.639 1.00 0.00 C ATOM 1040 C LYS A 91 -10.586 -6.496 -28.679 1.00 0.00 C ATOM 1041 O LYS A 91 -11.365 -5.768 -29.317 1.00 0.00 O ATOM 1042 CB LYS A 91 -10.667 -8.632 -30.067 1.00 0.00 C ATOM 1043 CG LYS A 91 -10.539 -10.177 -30.100 1.00 0.00 C ATOM 1044 CD LYS A 91 -10.471 -10.751 -31.539 1.00 0.00 C ATOM 1045 CE LYS A 91 -10.370 -12.287 -31.562 1.00 0.00 C ATOM 1046 NZ LYS A 91 -10.462 -12.837 -32.937 1.00 0.00 N ATOM 0 H LYS A 91 -12.772 -8.848 -28.717 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.095 -8.487 -27.985 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.523 -8.338 -30.675 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.782 -8.197 -30.531 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.643 -10.473 -29.554 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.389 -10.617 -29.579 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.358 -10.441 -32.092 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.610 -10.327 -32.055 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.425 -12.593 -31.113 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.166 -12.710 -30.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.321 -13.867 -32.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.400 -12.626 -33.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.729 -12.404 -33.534 1.00 0.00 H new ATOM 1060 N PRO A 92 -9.532 -5.986 -27.947 1.00 0.00 N ATOM 1061 CA PRO A 92 -9.139 -4.555 -27.975 1.00 0.00 C ATOM 1062 C PRO A 92 -8.846 -4.052 -29.403 1.00 0.00 C ATOM 1063 O PRO A 92 -9.172 -2.907 -29.751 1.00 0.00 O ATOM 1064 CB PRO A 92 -7.857 -4.516 -27.095 1.00 0.00 C ATOM 1065 CG PRO A 92 -7.987 -5.698 -26.185 1.00 0.00 C ATOM 1066 CD PRO A 92 -8.681 -6.762 -27.004 1.00 0.00 C ATOM 0 HA PRO A 92 -9.935 -3.904 -27.612 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.956 -4.582 -27.704 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -7.792 -3.586 -26.530 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.010 -6.040 -25.844 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.565 -5.447 -25.296 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.965 -7.389 -27.535 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.279 -7.423 -26.377 1.00 0.00 H new ATOM 1074 N ALA A 93 -8.206 -4.938 -30.199 1.00 0.00 N ATOM 1075 CA ALA A 93 -7.835 -4.691 -31.611 1.00 0.00 C ATOM 1076 C ALA A 93 -6.784 -3.561 -31.756 1.00 0.00 C ATOM 1077 O ALA A 93 -6.590 -3.018 -32.849 1.00 0.00 O ATOM 1078 CB ALA A 93 -9.096 -4.441 -32.473 1.00 0.00 C ATOM 0 H ALA A 93 -7.927 -5.863 -29.871 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.353 -5.593 -31.989 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.800 -4.262 -33.507 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.747 -5.314 -32.428 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.630 -3.571 -32.092 1.00 0.00 H new ATOM 1084 N TYR A 94 -6.088 -3.241 -30.644 1.00 0.00 N ATOM 1085 CA TYR A 94 -4.976 -2.265 -30.625 1.00 0.00 C ATOM 1086 C TYR A 94 -3.849 -2.784 -29.714 1.00 0.00 C ATOM 1087 O TYR A 94 -4.085 -3.642 -28.845 1.00 0.00 O ATOM 1088 CB TYR A 94 -5.465 -0.853 -30.167 1.00 0.00 C ATOM 1089 CG TYR A 94 -5.810 -0.712 -28.670 1.00 0.00 C ATOM 1090 CD1 TYR A 94 -4.831 -0.333 -27.740 1.00 0.00 C ATOM 1091 CD2 TYR A 94 -7.094 -0.950 -28.183 1.00 0.00 C ATOM 1092 CE1 TYR A 94 -5.121 -0.193 -26.401 1.00 0.00 C ATOM 1093 CE2 TYR A 94 -7.391 -0.803 -26.834 1.00 0.00 C ATOM 1094 CZ TYR A 94 -6.400 -0.435 -25.947 1.00 0.00 C ATOM 1095 OH TYR A 94 -6.698 -0.287 -24.604 1.00 0.00 O ATOM 0 H TYR A 94 -6.282 -3.653 -29.731 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.590 -2.157 -31.639 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.692 -0.125 -30.412 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.347 -0.589 -30.750 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.824 -0.146 -28.083 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.872 -1.254 -28.867 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.348 0.106 -25.708 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.396 -0.977 -26.480 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.644 -0.495 -24.454 1.00 0.00 H new ATOM 1105 N THR A 95 -2.634 -2.242 -29.892 1.00 0.00 N ATOM 1106 CA THR A 95 -1.467 -2.594 -29.074 1.00 0.00 C ATOM 1107 C THR A 95 -1.086 -1.415 -28.149 1.00 0.00 C ATOM 1108 O THR A 95 -0.280 -0.542 -28.510 1.00 0.00 O ATOM 1109 CB THR A 95 -0.257 -3.030 -29.973 1.00 0.00 C ATOM 1110 OG1 THR A 95 -0.015 -2.026 -30.971 1.00 0.00 O ATOM 1111 CG2 THR A 95 -0.500 -4.394 -30.656 1.00 0.00 C ATOM 0 H THR A 95 -2.435 -1.545 -30.610 1.00 0.00 H new ATOM 0 HA THR A 95 -1.729 -3.447 -28.448 1.00 0.00 H new ATOM 0 HB THR A 95 0.614 -3.138 -29.326 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.930 -1.767 -30.952 1.00 0.00 H new ATOM 0 HG21 THR A 95 0.364 -4.654 -31.267 1.00 0.00 H new ATOM 0 HG22 THR A 95 -0.650 -5.160 -29.895 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.386 -4.332 -31.288 1.00 0.00 H new ATOM 1119 N GLY A 96 -1.720 -1.390 -26.962 1.00 0.00 N ATOM 1120 CA GLY A 96 -1.491 -0.345 -25.960 1.00 0.00 C ATOM 1121 C GLY A 96 -1.097 -0.923 -24.615 1.00 0.00 C ATOM 1122 O GLY A 96 -1.602 -0.500 -23.566 1.00 0.00 O ATOM 0 H GLY A 96 -2.402 -2.093 -26.676 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.707 0.327 -26.310 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.395 0.253 -25.847 1.00 0.00 H new ATOM 1126 N TYR A 97 -0.165 -1.886 -24.653 1.00 0.00 N ATOM 1127 CA TYR A 97 0.358 -2.582 -23.465 1.00 0.00 C ATOM 1128 C TYR A 97 1.886 -2.674 -23.558 1.00 0.00 C ATOM 1129 O TYR A 97 2.438 -2.531 -24.649 1.00 0.00 O ATOM 1130 CB TYR A 97 -0.293 -3.984 -23.292 1.00 0.00 C ATOM 1131 CG TYR A 97 -0.312 -4.856 -24.554 1.00 0.00 C ATOM 1132 CD1 TYR A 97 -1.192 -4.555 -25.581 1.00 0.00 C ATOM 1133 CD2 TYR A 97 0.546 -5.944 -24.729 1.00 0.00 C ATOM 1134 CE1 TYR A 97 -1.246 -5.314 -26.728 1.00 0.00 C ATOM 1135 CE2 TYR A 97 0.496 -6.711 -25.878 1.00 0.00 C ATOM 1136 CZ TYR A 97 -0.392 -6.387 -26.879 1.00 0.00 C ATOM 1137 OH TYR A 97 -0.437 -7.148 -28.029 1.00 0.00 O ATOM 0 H TYR A 97 0.255 -2.210 -25.524 1.00 0.00 H new ATOM 0 HA TYR A 97 0.096 -2.008 -22.576 1.00 0.00 H new ATOM 0 HB2 TYR A 97 0.241 -4.520 -22.507 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.318 -3.851 -22.946 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.851 -3.705 -25.479 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.259 -6.190 -23.956 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.954 -5.071 -27.506 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.152 -7.562 -25.990 1.00 0.00 H new ATOM 0 HH TYR A 97 0.231 -7.863 -27.974 1.00 0.00 H new ATOM 1147 N ASN A 98 2.574 -2.908 -22.422 1.00 0.00 N ATOM 1148 CA ASN A 98 4.058 -2.933 -22.369 1.00 0.00 C ATOM 1149 C ASN A 98 4.640 -4.256 -22.928 1.00 0.00 C ATOM 1150 O ASN A 98 5.118 -5.117 -22.177 1.00 0.00 O ATOM 1151 CB ASN A 98 4.560 -2.662 -20.925 1.00 0.00 C ATOM 1152 CG ASN A 98 4.310 -1.225 -20.461 1.00 0.00 C ATOM 1153 OD1 ASN A 98 3.263 -0.907 -19.910 1.00 0.00 O ATOM 1154 ND2 ASN A 98 5.284 -0.346 -20.676 1.00 0.00 N ATOM 0 H ASN A 98 2.127 -3.084 -21.522 1.00 0.00 H new ATOM 0 HA ASN A 98 4.421 -2.133 -23.014 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.065 -3.350 -20.240 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.628 -2.874 -20.873 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.171 0.623 -20.380 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.145 -0.641 -21.137 1.00 0.00 H new ATOM 1161 N ARG A 99 4.552 -4.396 -24.264 1.00 0.00 N ATOM 1162 CA ARG A 99 5.133 -5.502 -25.058 1.00 0.00 C ATOM 1163 C ARG A 99 5.449 -4.979 -26.480 1.00 0.00 C ATOM 1164 O ARG A 99 5.308 -3.772 -26.754 1.00 0.00 O ATOM 1165 CB ARG A 99 4.174 -6.738 -25.150 1.00 0.00 C ATOM 1166 CG ARG A 99 4.020 -7.574 -23.859 1.00 0.00 C ATOM 1167 CD ARG A 99 3.175 -8.842 -24.070 1.00 0.00 C ATOM 1168 NE ARG A 99 3.806 -9.741 -25.054 1.00 0.00 N ATOM 1169 CZ ARG A 99 3.351 -10.946 -25.417 1.00 0.00 C ATOM 1170 NH1 ARG A 99 2.275 -11.466 -24.858 1.00 0.00 N ATOM 1171 NH2 ARG A 99 3.997 -11.643 -26.328 1.00 0.00 N ATOM 0 H ARG A 99 4.057 -3.719 -24.844 1.00 0.00 H new ATOM 0 HA ARG A 99 6.041 -5.838 -24.558 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.187 -6.386 -25.451 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.534 -7.394 -25.943 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.007 -7.857 -23.494 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.559 -6.959 -23.086 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.053 -9.364 -23.121 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.178 -8.566 -24.412 1.00 0.00 H new ATOM 0 HE ARG A 99 4.665 -9.416 -25.497 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.775 -10.948 -24.136 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.944 -12.386 -25.148 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.842 -11.264 -26.755 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.652 -12.562 -26.606 1.00 0.00 H new ATOM 1185 N ARG A 100 5.866 -5.898 -27.375 1.00 0.00 N ATOM 1186 CA ARG A 100 6.164 -5.588 -28.783 1.00 0.00 C ATOM 1187 C ARG A 100 4.888 -5.115 -29.519 1.00 0.00 C ATOM 1188 O ARG A 100 3.806 -5.691 -29.334 1.00 0.00 O ATOM 1189 CB ARG A 100 6.764 -6.837 -29.475 1.00 0.00 C ATOM 1190 CG ARG A 100 7.256 -6.616 -30.923 1.00 0.00 C ATOM 1191 CD ARG A 100 7.885 -7.879 -31.537 1.00 0.00 C ATOM 1192 NE ARG A 100 8.988 -8.409 -30.709 1.00 0.00 N ATOM 1193 CZ ARG A 100 10.172 -8.858 -31.163 1.00 0.00 C ATOM 1194 NH1 ARG A 100 10.480 -8.796 -32.456 1.00 0.00 N ATOM 1195 NH2 ARG A 100 11.047 -9.357 -30.303 1.00 0.00 N ATOM 0 H ARG A 100 6.005 -6.880 -27.137 1.00 0.00 H new ATOM 0 HA ARG A 100 6.892 -4.778 -28.822 1.00 0.00 H new ATOM 0 HB2 ARG A 100 7.600 -7.198 -28.876 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.012 -7.626 -29.481 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.418 -6.295 -31.542 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.988 -5.809 -30.934 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.119 -8.645 -31.653 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.259 -7.649 -32.535 1.00 0.00 H new ATOM 0 HE ARG A 100 8.838 -8.437 -29.700 1.00 0.00 H new ATOM 0 HH11 ARG A 100 9.814 -8.403 -33.121 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.383 -9.141 -32.782 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.819 -9.397 -29.310 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.948 -9.701 -30.634 1.00 0.00 H new ATOM 1209 N GLY A 101 5.044 -4.064 -30.341 1.00 0.00 N ATOM 1210 CA GLY A 101 3.926 -3.396 -31.024 1.00 0.00 C ATOM 1211 C GLY A 101 3.551 -2.067 -30.360 1.00 0.00 C ATOM 1212 O GLY A 101 2.722 -1.312 -30.888 1.00 0.00 O ATOM 0 H GLY A 101 5.954 -3.653 -30.551 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.194 -3.217 -32.065 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.058 -4.056 -31.027 1.00 0.00 H new ATOM 1216 N SER A 102 4.189 -1.777 -29.211 1.00 0.00 N ATOM 1217 CA SER A 102 3.959 -0.555 -28.420 1.00 0.00 C ATOM 1218 C SER A 102 5.324 0.043 -27.998 1.00 0.00 C ATOM 1219 O SER A 102 6.364 -0.299 -28.578 1.00 0.00 O ATOM 1220 CB SER A 102 3.059 -0.915 -27.205 1.00 0.00 C ATOM 1221 OG SER A 102 2.651 0.228 -26.468 1.00 0.00 O ATOM 0 H SER A 102 4.889 -2.395 -28.800 1.00 0.00 H new ATOM 0 HA SER A 102 3.442 0.206 -29.004 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.177 -1.449 -27.557 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.600 -1.593 -26.545 1.00 0.00 H new ATOM 0 HG SER A 102 2.087 -0.051 -25.717 1.00 0.00 H new ATOM 1227 N LYS A 103 5.315 0.962 -27.017 1.00 0.00 N ATOM 1228 CA LYS A 103 6.536 1.639 -26.532 1.00 0.00 C ATOM 1229 C LYS A 103 6.445 1.830 -25.004 1.00 0.00 C ATOM 1230 O LYS A 103 5.413 2.264 -24.475 1.00 0.00 O ATOM 1231 CB LYS A 103 6.785 3.000 -27.272 1.00 0.00 C ATOM 1232 CG LYS A 103 5.721 4.117 -27.083 1.00 0.00 C ATOM 1233 CD LYS A 103 4.337 3.798 -27.712 1.00 0.00 C ATOM 1234 CE LYS A 103 4.367 3.661 -29.247 1.00 0.00 C ATOM 1235 NZ LYS A 103 4.757 4.935 -29.909 1.00 0.00 N ATOM 0 H LYS A 103 4.465 1.258 -26.537 1.00 0.00 H new ATOM 0 HA LYS A 103 7.396 1.008 -26.758 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.748 3.392 -26.944 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.872 2.793 -28.339 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.589 4.299 -26.016 1.00 0.00 H new ATOM 0 HG3 LYS A 103 6.100 5.041 -27.519 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.958 2.871 -27.281 1.00 0.00 H new ATOM 0 HD3 LYS A 103 3.635 4.586 -27.441 1.00 0.00 H new ATOM 0 HE2 LYS A 103 5.069 2.876 -29.528 1.00 0.00 H new ATOM 0 HE3 LYS A 103 3.384 3.352 -29.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 4.684 4.827 -30.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 4.123 5.698 -29.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 5.737 5.173 -29.655 1.00 0.00 H new ATOM 1249 N ASP A 104 7.531 1.457 -24.304 1.00 0.00 N ATOM 1250 CA ASP A 104 7.642 1.582 -22.835 1.00 0.00 C ATOM 1251 C ASP A 104 8.103 2.997 -22.460 1.00 0.00 C ATOM 1252 O ASP A 104 7.750 3.516 -21.397 1.00 0.00 O ATOM 1253 CB ASP A 104 8.650 0.543 -22.270 1.00 0.00 C ATOM 1254 CG ASP A 104 8.412 -0.897 -22.767 1.00 0.00 C ATOM 1255 OD1 ASP A 104 8.924 -1.243 -23.861 1.00 0.00 O ATOM 1256 OD2 ASP A 104 7.727 -1.684 -22.079 1.00 0.00 O ATOM 0 H ASP A 104 8.362 1.058 -24.741 1.00 0.00 H new ATOM 0 HA ASP A 104 6.660 1.392 -22.402 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.661 0.848 -22.542 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.596 0.554 -21.181 1.00 0.00 H new ATOM 1261 N SER A 105 8.954 3.572 -23.343 1.00 0.00 N ATOM 1262 CA SER A 105 9.504 4.940 -23.220 1.00 0.00 C ATOM 1263 C SER A 105 10.418 5.092 -21.970 1.00 0.00 C ATOM 1264 O SER A 105 10.754 6.211 -21.562 1.00 0.00 O ATOM 1265 CB SER A 105 8.361 6.000 -23.240 1.00 0.00 C ATOM 1266 OG SER A 105 8.851 7.331 -23.366 1.00 0.00 O ATOM 0 H SER A 105 9.283 3.086 -24.177 1.00 0.00 H new ATOM 0 HA SER A 105 10.139 5.120 -24.088 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.686 5.785 -24.068 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.777 5.917 -22.323 1.00 0.00 H new ATOM 0 HG SER A 105 9.689 7.420 -22.865 1.00 0.00 H new ATOM 1272 N GLN A 106 10.839 3.947 -21.397 1.00 0.00 N ATOM 1273 CA GLN A 106 11.672 3.889 -20.191 1.00 0.00 C ATOM 1274 C GLN A 106 13.139 4.184 -20.556 1.00 0.00 C ATOM 1275 O GLN A 106 13.777 3.402 -21.274 1.00 0.00 O ATOM 1276 CB GLN A 106 11.540 2.483 -19.549 1.00 0.00 C ATOM 1277 CG GLN A 106 10.111 2.117 -19.083 1.00 0.00 C ATOM 1278 CD GLN A 106 9.912 0.626 -18.768 1.00 0.00 C ATOM 1279 OE1 GLN A 106 9.139 0.268 -17.886 1.00 0.00 O ATOM 1280 NE2 GLN A 106 10.565 -0.255 -19.521 1.00 0.00 N ATOM 0 H GLN A 106 10.604 3.027 -21.768 1.00 0.00 H new ATOM 0 HA GLN A 106 11.339 4.639 -19.474 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.875 1.737 -20.269 1.00 0.00 H new ATOM 0 HB3 GLN A 106 12.213 2.425 -18.693 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.871 2.700 -18.194 1.00 0.00 H new ATOM 0 HG3 GLN A 106 9.402 2.411 -19.857 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.203 0.069 -20.248 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.428 -1.255 -19.371 1.00 0.00 H new ATOM 1289 N LEU A 107 13.652 5.331 -20.082 1.00 0.00 N ATOM 1290 CA LEU A 107 15.048 5.749 -20.318 1.00 0.00 C ATOM 1291 C LEU A 107 15.999 5.025 -19.329 1.00 0.00 C ATOM 1292 O LEU A 107 16.490 5.593 -18.346 1.00 0.00 O ATOM 1293 CB LEU A 107 15.204 7.315 -20.294 1.00 0.00 C ATOM 1294 CG LEU A 107 14.965 8.111 -18.947 1.00 0.00 C ATOM 1295 CD1 LEU A 107 15.406 9.585 -19.097 1.00 0.00 C ATOM 1296 CD2 LEU A 107 13.499 8.034 -18.450 1.00 0.00 C ATOM 0 H LEU A 107 13.114 5.995 -19.525 1.00 0.00 H new ATOM 0 HA LEU A 107 15.337 5.446 -21.324 1.00 0.00 H new ATOM 0 HB2 LEU A 107 16.214 7.546 -20.633 1.00 0.00 H new ATOM 0 HB3 LEU A 107 14.518 7.721 -21.037 1.00 0.00 H new ATOM 0 HG LEU A 107 15.581 7.627 -18.189 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.233 10.114 -18.160 1.00 0.00 H new ATOM 0 HD12 LEU A 107 16.467 9.624 -19.345 1.00 0.00 H new ATOM 0 HD13 LEU A 107 14.830 10.058 -19.892 1.00 0.00 H new ATOM 0 HD21 LEU A 107 13.399 8.599 -17.523 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.836 8.456 -19.205 1.00 0.00 H new ATOM 0 HD23 LEU A 107 13.230 6.993 -18.271 1.00 0.00 H new ATOM 1308 N ARG A 108 16.206 3.721 -19.587 1.00 0.00 N ATOM 1309 CA ARG A 108 17.028 2.845 -18.747 1.00 0.00 C ATOM 1310 C ARG A 108 18.430 2.685 -19.382 1.00 0.00 C ATOM 1311 O ARG A 108 18.610 1.806 -20.241 1.00 0.00 O ATOM 1312 CB ARG A 108 16.318 1.473 -18.549 1.00 0.00 C ATOM 1313 CG ARG A 108 14.961 1.546 -17.811 1.00 0.00 C ATOM 1314 CD ARG A 108 15.080 2.177 -16.407 1.00 0.00 C ATOM 1315 NE ARG A 108 16.025 1.451 -15.534 1.00 0.00 N ATOM 1316 CZ ARG A 108 16.266 1.737 -14.240 1.00 0.00 C ATOM 1317 NH1 ARG A 108 15.607 2.709 -13.616 1.00 0.00 N ATOM 1318 NH2 ARG A 108 17.169 1.035 -13.576 1.00 0.00 N ATOM 1319 OXT ARG A 108 19.345 3.457 -19.027 1.00 0.00 O ATOM 0 H ARG A 108 15.801 3.246 -20.394 1.00 0.00 H new ATOM 0 HA ARG A 108 17.155 3.291 -17.760 1.00 0.00 H new ATOM 0 HB2 ARG A 108 16.160 1.017 -19.526 1.00 0.00 H new ATOM 0 HB3 ARG A 108 16.983 0.812 -17.993 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.258 2.127 -18.408 1.00 0.00 H new ATOM 0 HG3 ARG A 108 14.547 0.542 -17.720 1.00 0.00 H new ATOM 0 HD2 ARG A 108 15.405 3.213 -16.505 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.097 2.194 -15.936 1.00 0.00 H new ATOM 0 HE ARG A 108 16.536 0.670 -15.944 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.905 3.253 -14.118 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.804 2.911 -12.636 1.00 0.00 H new ATOM 0 HH21 ARG A 108 17.676 0.284 -14.044 1.00 0.00 H new ATOM 0 HH22 ARG A 108 17.358 1.245 -12.596 1.00 0.00 H new TER 1333 ARG A 108 HETATM 1334 ZN ZN A 109 -14.362 -23.388 -24.909 1.00 0.00 ZN