USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 723 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 3 GLN : amide:sc= 0.259 K(o=0.5,f=-4.6!) USER MOD Set 1.2: A 77 SER OG : rot -140:sc= 0.238 USER MOD Set 2.1: A 64 SER OG : rot -58:sc= 1.27 USER MOD Set 2.2: A 67 SER OG : rot -160:sc= 1.14 USER MOD Set 3.1: A 51 ASN : amide:sc= 0.757 K(o=1.3,f=-0.092) USER MOD Set 3.2: A 54 GLN : amide:sc= 0.586 K(o=1.3,f=-1.6) USER MOD Set 4.1: A 13 GLN : amide:sc= 1.8 K(o=2.4,f=-0.91!) USER MOD Set 4.2: A 36 ASN : amide:sc= 0.574 K(o=2.4,f=-0.91) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -105:sc= 0.0536 (180deg=0) USER MOD Single : A 4 TYR OH : rot -150:sc= 1.22 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -3.66! C(o=-3.7!,f=-5.8!) USER MOD Single : A 23 MET CE :methyl -176:sc= 0 (180deg=-0.0123) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0.782 (180deg=0.751) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= 0.402 (180deg=0.242) USER MOD Single : A 55 SER OG : rot 75:sc= 1.79 USER MOD Single : A 61 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.08) USER MOD Single : A 62 ASN : amide:sc= 0.817 K(o=0.82,f=-0.0035) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0529 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -70:sc= 0.672 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0405 USER MOD Single : A 83 HIS : no HE2:sc= 0.94 K(o=0.94,f=-3!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0.314 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0275 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.373 -0.089 -0.898 1.00 0.00 N ATOM 2 CA MET A 1 1.025 0.005 -1.394 1.00 0.00 C ATOM 3 C MET A 1 1.553 -1.385 -1.757 1.00 0.00 C ATOM 4 O MET A 1 1.128 -2.391 -1.186 1.00 0.00 O ATOM 5 CB MET A 1 1.972 0.680 -0.377 1.00 0.00 C ATOM 6 CG MET A 1 1.700 2.178 -0.179 1.00 0.00 C ATOM 7 SD MET A 1 1.811 3.171 -1.693 1.00 0.00 S ATOM 8 CE MET A 1 1.465 4.817 -1.016 1.00 0.00 C ATOM 0 H1 MET A 1 -1.026 0.249 -1.633 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.594 -1.079 -0.668 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.479 0.497 -0.045 1.00 0.00 H new ATOM 0 HA MET A 1 1.005 0.635 -2.283 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.880 0.173 0.584 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.002 0.548 -0.710 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.705 2.300 0.248 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.410 2.570 0.550 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.494 5.554 -1.819 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.477 4.821 -0.555 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.216 5.067 -0.266 1.00 0.00 H new ATOM 20 N LEU A 2 2.496 -1.448 -2.699 1.00 0.00 N ATOM 21 CA LEU A 2 3.168 -2.662 -3.153 1.00 0.00 C ATOM 22 C LEU A 2 4.637 -2.321 -3.419 1.00 0.00 C ATOM 23 O LEU A 2 5.035 -1.152 -3.325 1.00 0.00 O ATOM 24 CB LEU A 2 2.470 -3.200 -4.426 1.00 0.00 C ATOM 25 CG LEU A 2 1.947 -4.642 -4.290 1.00 0.00 C ATOM 26 CD1 LEU A 2 1.173 -5.020 -5.557 1.00 0.00 C ATOM 27 CD2 LEU A 2 3.070 -5.663 -4.069 1.00 0.00 C ATOM 0 H LEU A 2 2.825 -0.615 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 2 3.115 -3.444 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.636 -2.544 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.171 -3.156 -5.259 1.00 0.00 H new ATOM 0 HG LEU A 2 1.302 -4.669 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.801 -6.040 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.333 -4.338 -5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.834 -4.951 -6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.642 -6.661 -3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.757 -5.637 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.610 -5.417 -3.155 1.00 0.00 H new ATOM 39 N GLN A 3 5.449 -3.326 -3.750 1.00 0.00 N ATOM 40 CA GLN A 3 6.863 -3.150 -4.032 1.00 0.00 C ATOM 41 C GLN A 3 7.332 -4.252 -4.988 1.00 0.00 C ATOM 42 O GLN A 3 6.804 -5.369 -4.965 1.00 0.00 O ATOM 43 CB GLN A 3 7.616 -3.191 -2.692 1.00 0.00 C ATOM 44 CG GLN A 3 9.072 -2.746 -2.813 1.00 0.00 C ATOM 45 CD GLN A 3 9.727 -2.664 -1.444 1.00 0.00 C ATOM 46 OE1 GLN A 3 9.538 -1.689 -0.726 1.00 0.00 O ATOM 47 NE2 GLN A 3 10.497 -3.663 -1.060 1.00 0.00 N ATOM 0 H GLN A 3 5.134 -4.293 -3.829 1.00 0.00 H new ATOM 0 HA GLN A 3 7.059 -2.195 -4.519 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.104 -2.550 -1.974 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.583 -4.205 -2.294 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.620 -3.447 -3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.120 -1.774 -3.303 1.00 0.00 H new ATOM 0 HE21 GLN A 3 10.639 -4.464 -1.676 1.00 0.00 H new ATOM 0 HE22 GLN A 3 10.951 -3.635 -0.147 1.00 0.00 H new ATOM 56 N TYR A 4 8.332 -3.955 -5.818 1.00 0.00 N ATOM 57 CA TYR A 4 9.024 -4.948 -6.629 1.00 0.00 C ATOM 58 C TYR A 4 10.505 -4.613 -6.765 1.00 0.00 C ATOM 59 O TYR A 4 10.943 -3.505 -6.443 1.00 0.00 O ATOM 60 CB TYR A 4 8.334 -5.146 -7.994 1.00 0.00 C ATOM 61 CG TYR A 4 8.080 -3.941 -8.885 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.108 -3.035 -9.228 1.00 0.00 C ATOM 63 CD2 TYR A 4 6.817 -3.817 -9.492 1.00 0.00 C ATOM 64 CE1 TYR A 4 8.876 -2.020 -10.168 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.583 -2.817 -10.446 1.00 0.00 C ATOM 66 CZ TYR A 4 7.615 -1.918 -10.791 1.00 0.00 C ATOM 67 OH TYR A 4 7.415 -0.971 -11.741 1.00 0.00 O ATOM 0 H TYR A 4 8.686 -3.007 -5.945 1.00 0.00 H new ATOM 0 HA TYR A 4 8.963 -5.905 -6.112 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.936 -5.853 -8.565 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.372 -5.623 -7.808 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.079 -3.124 -8.764 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.023 -4.497 -9.221 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.660 -1.319 -10.414 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.614 -2.735 -10.916 1.00 0.00 H new ATOM 0 HH TYR A 4 6.475 -0.693 -11.733 1.00 0.00 H new ATOM 77 N ARG A 5 11.261 -5.568 -7.308 1.00 0.00 N ATOM 78 CA ARG A 5 12.633 -5.406 -7.767 1.00 0.00 C ATOM 79 C ARG A 5 12.659 -5.944 -9.193 1.00 0.00 C ATOM 80 O ARG A 5 12.049 -6.979 -9.455 1.00 0.00 O ATOM 81 CB ARG A 5 13.568 -6.187 -6.831 1.00 0.00 C ATOM 82 CG ARG A 5 15.063 -5.968 -7.127 1.00 0.00 C ATOM 83 CD ARG A 5 15.946 -6.956 -6.349 1.00 0.00 C ATOM 84 NE ARG A 5 15.662 -8.362 -6.710 1.00 0.00 N ATOM 85 CZ ARG A 5 16.279 -9.447 -6.228 1.00 0.00 C ATOM 86 NH1 ARG A 5 17.288 -9.336 -5.368 1.00 0.00 N ATOM 87 NH2 ARG A 5 15.862 -10.646 -6.619 1.00 0.00 N ATOM 0 H ARG A 5 10.914 -6.517 -7.444 1.00 0.00 H new ATOM 0 HA ARG A 5 12.971 -4.370 -7.755 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.364 -5.895 -5.801 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.343 -7.250 -6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.243 -6.082 -8.196 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.340 -4.947 -6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.995 -6.737 -6.547 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.788 -6.818 -5.279 1.00 0.00 H new ATOM 0 HE ARG A 5 14.922 -8.520 -7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 5 17.602 -8.414 -5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.748 -10.173 -5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.085 -10.727 -7.275 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.319 -11.486 -6.263 1.00 0.00 H new ATOM 101 N ILE A 6 13.329 -5.266 -10.116 1.00 0.00 N ATOM 102 CA ILE A 6 13.387 -5.633 -11.527 1.00 0.00 C ATOM 103 C ILE A 6 14.855 -5.517 -11.935 1.00 0.00 C ATOM 104 O ILE A 6 15.525 -4.559 -11.552 1.00 0.00 O ATOM 105 CB ILE A 6 12.423 -4.741 -12.360 1.00 0.00 C ATOM 106 CG1 ILE A 6 10.968 -4.915 -11.860 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.514 -5.061 -13.863 1.00 0.00 C ATOM 108 CD1 ILE A 6 9.880 -4.179 -12.650 1.00 0.00 C ATOM 0 H ILE A 6 13.861 -4.423 -9.899 1.00 0.00 H new ATOM 0 HA ILE A 6 13.047 -6.652 -11.713 1.00 0.00 H new ATOM 0 HB ILE A 6 12.726 -3.703 -12.223 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.731 -5.979 -11.863 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.921 -4.581 -10.823 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.827 -4.419 -14.414 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.532 -4.886 -14.211 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.248 -6.105 -14.030 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.907 -4.380 -12.202 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.076 -3.107 -12.627 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.883 -4.526 -13.683 1.00 0.00 H new ATOM 120 N ILE A 7 15.365 -6.486 -12.691 1.00 0.00 N ATOM 121 CA ILE A 7 16.724 -6.479 -13.224 1.00 0.00 C ATOM 122 C ILE A 7 16.552 -6.465 -14.744 1.00 0.00 C ATOM 123 O ILE A 7 15.654 -7.130 -15.267 1.00 0.00 O ATOM 124 CB ILE A 7 17.555 -7.680 -12.692 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.907 -7.606 -11.183 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.910 -7.783 -13.419 1.00 0.00 C ATOM 127 CD1 ILE A 7 16.752 -7.814 -10.200 1.00 0.00 C ATOM 0 H ILE A 7 14.833 -7.315 -12.956 1.00 0.00 H new ATOM 0 HA ILE A 7 17.299 -5.611 -12.901 1.00 0.00 H new ATOM 0 HB ILE A 7 16.905 -8.537 -12.872 1.00 0.00 H new ATOM 0 HG12 ILE A 7 18.671 -8.354 -10.974 1.00 0.00 H new ATOM 0 HG13 ILE A 7 18.353 -6.631 -10.984 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.470 -8.632 -13.026 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.740 -7.923 -14.487 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.479 -6.867 -13.259 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.125 -7.739 -9.179 1.00 0.00 H new ATOM 0 HD12 ILE A 7 15.992 -7.051 -10.365 1.00 0.00 H new ATOM 0 HD13 ILE A 7 16.315 -8.801 -10.355 1.00 0.00 H new ATOM 139 N VAL A 8 17.385 -5.698 -15.447 1.00 0.00 N ATOM 140 CA VAL A 8 17.242 -5.412 -16.869 1.00 0.00 C ATOM 141 C VAL A 8 18.632 -5.524 -17.498 1.00 0.00 C ATOM 142 O VAL A 8 19.625 -5.076 -16.913 1.00 0.00 O ATOM 143 CB VAL A 8 16.634 -4.003 -17.075 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.215 -3.788 -18.535 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.392 -3.738 -16.207 1.00 0.00 C ATOM 0 H VAL A 8 18.199 -5.248 -15.029 1.00 0.00 H new ATOM 0 HA VAL A 8 16.564 -6.120 -17.346 1.00 0.00 H new ATOM 0 HB VAL A 8 17.427 -3.314 -16.782 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.792 -2.790 -18.649 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.086 -3.889 -19.182 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.469 -4.532 -18.813 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.019 -2.733 -16.403 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.617 -4.466 -16.448 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.658 -3.827 -15.154 1.00 0.00 H new ATOM 155 N ASP A 9 18.700 -6.114 -18.690 1.00 0.00 N ATOM 156 CA ASP A 9 19.929 -6.383 -19.422 1.00 0.00 C ATOM 157 C ASP A 9 19.698 -6.135 -20.913 1.00 0.00 C ATOM 158 O ASP A 9 18.567 -6.236 -21.399 1.00 0.00 O ATOM 159 CB ASP A 9 20.349 -7.838 -19.193 1.00 0.00 C ATOM 160 CG ASP A 9 21.641 -8.174 -19.950 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.591 -7.363 -19.886 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.719 -9.255 -20.575 1.00 0.00 O ATOM 0 H ASP A 9 17.867 -6.428 -19.188 1.00 0.00 H new ATOM 0 HA ASP A 9 20.720 -5.722 -19.068 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.494 -8.013 -18.127 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.551 -8.504 -19.519 1.00 0.00 H new ATOM 167 N GLY A 10 20.764 -5.790 -21.633 1.00 0.00 N ATOM 168 CA GLY A 10 20.736 -5.410 -23.036 1.00 0.00 C ATOM 169 C GLY A 10 21.596 -4.172 -23.242 1.00 0.00 C ATOM 170 O GLY A 10 22.474 -3.873 -22.424 1.00 0.00 O ATOM 0 H GLY A 10 21.704 -5.768 -21.236 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.105 -6.229 -23.653 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.711 -5.211 -23.350 1.00 0.00 H new ATOM 174 N ARG A 11 21.329 -3.414 -24.309 1.00 0.00 N ATOM 175 CA ARG A 11 21.850 -2.057 -24.442 1.00 0.00 C ATOM 176 C ARG A 11 21.085 -1.185 -23.450 1.00 0.00 C ATOM 177 O ARG A 11 20.104 -0.552 -23.826 1.00 0.00 O ATOM 178 CB ARG A 11 21.756 -1.556 -25.898 1.00 0.00 C ATOM 179 CG ARG A 11 22.453 -0.191 -26.063 1.00 0.00 C ATOM 180 CD ARG A 11 22.430 0.319 -27.509 1.00 0.00 C ATOM 181 NE ARG A 11 21.084 0.760 -27.927 1.00 0.00 N ATOM 182 CZ ARG A 11 20.421 0.395 -29.032 1.00 0.00 C ATOM 183 NH1 ARG A 11 20.911 -0.519 -29.867 1.00 0.00 N ATOM 184 NH2 ARG A 11 19.253 0.970 -29.287 1.00 0.00 N ATOM 0 H ARG A 11 20.753 -3.721 -25.093 1.00 0.00 H new ATOM 0 HA ARG A 11 22.914 -2.018 -24.207 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.214 -2.285 -26.567 1.00 0.00 H new ATOM 0 HB3 ARG A 11 20.709 -1.470 -26.189 1.00 0.00 H new ATOM 0 HG2 ARG A 11 21.967 0.540 -25.417 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.487 -0.274 -25.729 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.129 1.149 -27.610 1.00 0.00 H new ATOM 0 HD3 ARG A 11 22.774 -0.471 -28.176 1.00 0.00 H new ATOM 0 HE ARG A 11 20.607 1.414 -27.306 1.00 0.00 H new ATOM 0 HH11 ARG A 11 21.811 -0.958 -29.672 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.387 -0.780 -30.702 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.880 1.672 -28.648 1.00 0.00 H new ATOM 0 HH22 ARG A 11 18.728 0.710 -30.122 1.00 0.00 H new ATOM 198 N VAL A 12 21.509 -1.192 -22.189 1.00 0.00 N ATOM 199 CA VAL A 12 20.986 -0.331 -21.128 1.00 0.00 C ATOM 200 C VAL A 12 22.128 0.325 -20.338 1.00 0.00 C ATOM 201 O VAL A 12 21.899 1.305 -19.630 1.00 0.00 O ATOM 202 CB VAL A 12 20.006 -1.109 -20.219 1.00 0.00 C ATOM 203 CG1 VAL A 12 18.661 -1.350 -20.921 1.00 0.00 C ATOM 204 CG2 VAL A 12 20.545 -2.460 -19.720 1.00 0.00 C ATOM 0 H VAL A 12 22.249 -1.816 -21.866 1.00 0.00 H new ATOM 0 HA VAL A 12 20.417 0.478 -21.587 1.00 0.00 H new ATOM 0 HB VAL A 12 19.875 -0.466 -19.349 1.00 0.00 H new ATOM 0 HG11 VAL A 12 17.996 -1.899 -20.254 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.208 -0.392 -21.178 1.00 0.00 H new ATOM 0 HG13 VAL A 12 18.824 -1.930 -21.830 1.00 0.00 H new ATOM 0 HG21 VAL A 12 19.796 -2.940 -19.090 1.00 0.00 H new ATOM 0 HG22 VAL A 12 20.766 -3.101 -20.573 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.455 -2.298 -19.143 1.00 0.00 H new ATOM 214 N GLN A 13 23.370 -0.158 -20.473 1.00 0.00 N ATOM 215 CA GLN A 13 24.531 0.360 -19.743 1.00 0.00 C ATOM 216 C GLN A 13 25.341 1.336 -20.606 1.00 0.00 C ATOM 217 O GLN A 13 25.946 2.263 -20.070 1.00 0.00 O ATOM 218 CB GLN A 13 25.408 -0.817 -19.287 1.00 0.00 C ATOM 219 CG GLN A 13 24.738 -1.697 -18.216 1.00 0.00 C ATOM 220 CD GLN A 13 24.929 -1.178 -16.787 1.00 0.00 C ATOM 221 OE1 GLN A 13 24.813 0.011 -16.498 1.00 0.00 O ATOM 222 NE2 GLN A 13 25.231 -2.076 -15.869 1.00 0.00 N ATOM 0 H GLN A 13 23.598 -0.929 -21.101 1.00 0.00 H new ATOM 0 HA GLN A 13 24.181 0.912 -18.871 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.655 -1.433 -20.151 1.00 0.00 H new ATOM 0 HB3 GLN A 13 26.348 -0.430 -18.893 1.00 0.00 H new ATOM 0 HG2 GLN A 13 23.671 -1.765 -18.429 1.00 0.00 H new ATOM 0 HG3 GLN A 13 25.142 -2.707 -18.284 1.00 0.00 H new ATOM 0 HE21 GLN A 13 25.323 -3.058 -16.127 1.00 0.00 H new ATOM 0 HE22 GLN A 13 25.372 -1.788 -14.901 1.00 0.00 H new ATOM 231 N GLY A 14 25.309 1.177 -21.936 1.00 0.00 N ATOM 232 CA GLY A 14 25.964 2.078 -22.888 1.00 0.00 C ATOM 233 C GLY A 14 25.090 3.284 -23.249 1.00 0.00 C ATOM 234 O GLY A 14 25.399 4.004 -24.199 1.00 0.00 O ATOM 0 H GLY A 14 24.818 0.405 -22.386 1.00 0.00 H new ATOM 0 HA2 GLY A 14 26.905 2.429 -22.463 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.210 1.527 -23.795 1.00 0.00 H new ATOM 238 N VAL A 15 23.996 3.493 -22.515 1.00 0.00 N ATOM 239 CA VAL A 15 23.000 4.542 -22.696 1.00 0.00 C ATOM 240 C VAL A 15 22.579 5.000 -21.295 1.00 0.00 C ATOM 241 O VAL A 15 22.821 4.294 -20.310 1.00 0.00 O ATOM 242 CB VAL A 15 21.803 4.012 -23.523 1.00 0.00 C ATOM 243 CG1 VAL A 15 22.171 3.795 -24.998 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.230 2.700 -22.965 1.00 0.00 C ATOM 0 H VAL A 15 23.770 2.890 -21.724 1.00 0.00 H new ATOM 0 HA VAL A 15 23.404 5.387 -23.254 1.00 0.00 H new ATOM 0 HB VAL A 15 21.042 4.789 -23.448 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.301 3.423 -25.539 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.494 4.740 -25.435 1.00 0.00 H new ATOM 0 HG13 VAL A 15 22.980 3.068 -25.068 1.00 0.00 H new ATOM 0 HG21 VAL A 15 20.394 2.376 -23.584 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.005 1.933 -22.971 1.00 0.00 H new ATOM 0 HG23 VAL A 15 20.885 2.859 -21.943 1.00 0.00 H new ATOM 254 N GLY A 16 21.934 6.161 -21.182 1.00 0.00 N ATOM 255 CA GLY A 16 21.596 6.791 -19.906 1.00 0.00 C ATOM 256 C GLY A 16 20.360 6.191 -19.235 1.00 0.00 C ATOM 257 O GLY A 16 19.586 6.934 -18.630 1.00 0.00 O ATOM 0 H GLY A 16 21.626 6.700 -21.991 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.446 6.701 -19.230 1.00 0.00 H new ATOM 0 HA3 GLY A 16 21.430 7.856 -20.069 1.00 0.00 H new ATOM 261 N PHE A 17 20.135 4.877 -19.349 1.00 0.00 N ATOM 262 CA PHE A 17 18.900 4.242 -18.893 1.00 0.00 C ATOM 263 C PHE A 17 18.618 4.518 -17.414 1.00 0.00 C ATOM 264 O PHE A 17 17.473 4.757 -17.052 1.00 0.00 O ATOM 265 CB PHE A 17 18.936 2.732 -19.166 1.00 0.00 C ATOM 266 CG PHE A 17 17.668 1.988 -18.776 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.412 2.459 -19.204 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.735 0.833 -17.972 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.237 1.787 -18.830 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.561 0.137 -17.632 1.00 0.00 C ATOM 271 CZ PHE A 17 15.311 0.609 -18.067 1.00 0.00 C ATOM 0 H PHE A 17 20.805 4.227 -19.760 1.00 0.00 H new ATOM 0 HA PHE A 17 18.082 4.683 -19.463 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.123 2.572 -20.228 1.00 0.00 H new ATOM 0 HB3 PHE A 17 19.777 2.298 -18.625 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.352 3.342 -19.823 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.692 0.481 -17.615 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.275 2.176 -19.129 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.620 -0.762 -17.036 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.410 0.068 -17.816 1.00 0.00 H new ATOM 281 N ARG A 18 19.641 4.563 -16.553 1.00 0.00 N ATOM 282 CA ARG A 18 19.444 4.834 -15.123 1.00 0.00 C ATOM 283 C ARG A 18 18.765 6.191 -14.899 1.00 0.00 C ATOM 284 O ARG A 18 17.923 6.306 -14.008 1.00 0.00 O ATOM 285 CB ARG A 18 20.794 4.731 -14.388 1.00 0.00 C ATOM 286 CG ARG A 18 21.320 3.276 -14.355 1.00 0.00 C ATOM 287 CD ARG A 18 22.854 3.138 -14.382 1.00 0.00 C ATOM 288 NE ARG A 18 23.487 3.830 -15.525 1.00 0.00 N ATOM 289 CZ ARG A 18 23.324 3.567 -16.829 1.00 0.00 C ATOM 290 NH1 ARG A 18 22.588 2.532 -17.227 1.00 0.00 N ATOM 291 NH2 ARG A 18 23.868 4.368 -17.733 1.00 0.00 N ATOM 0 H ARG A 18 20.614 4.415 -16.821 1.00 0.00 H new ATOM 0 HA ARG A 18 18.771 4.084 -14.708 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.526 5.371 -14.881 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.682 5.100 -13.369 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.942 2.789 -13.456 1.00 0.00 H new ATOM 0 HG3 ARG A 18 20.907 2.737 -15.207 1.00 0.00 H new ATOM 0 HD2 ARG A 18 23.263 3.537 -13.454 1.00 0.00 H new ATOM 0 HD3 ARG A 18 23.115 2.080 -14.417 1.00 0.00 H new ATOM 0 HE ARG A 18 24.121 4.595 -15.295 1.00 0.00 H new ATOM 0 HH11 ARG A 18 22.141 1.929 -16.537 1.00 0.00 H new ATOM 0 HH12 ARG A 18 22.471 2.342 -18.222 1.00 0.00 H new ATOM 0 HH21 ARG A 18 24.408 5.181 -17.435 1.00 0.00 H new ATOM 0 HH22 ARG A 18 23.747 4.172 -18.727 1.00 0.00 H new ATOM 305 N TYR A 19 19.064 7.199 -15.725 1.00 0.00 N ATOM 306 CA TYR A 19 18.397 8.494 -15.656 1.00 0.00 C ATOM 307 C TYR A 19 16.965 8.391 -16.182 1.00 0.00 C ATOM 308 O TYR A 19 16.064 8.976 -15.582 1.00 0.00 O ATOM 309 CB TYR A 19 19.186 9.556 -16.436 1.00 0.00 C ATOM 310 CG TYR A 19 20.607 9.754 -15.939 1.00 0.00 C ATOM 311 CD1 TYR A 19 20.851 10.548 -14.801 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.684 9.135 -16.602 1.00 0.00 C ATOM 313 CE1 TYR A 19 22.161 10.716 -14.320 1.00 0.00 C ATOM 314 CE2 TYR A 19 22.998 9.297 -16.127 1.00 0.00 C ATOM 315 CZ TYR A 19 23.243 10.087 -14.981 1.00 0.00 C ATOM 316 OH TYR A 19 24.521 10.237 -14.529 1.00 0.00 O ATOM 0 H TYR A 19 19.773 7.136 -16.456 1.00 0.00 H new ATOM 0 HA TYR A 19 18.357 8.801 -14.611 1.00 0.00 H new ATOM 0 HB2 TYR A 19 19.216 9.273 -17.488 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.655 10.506 -16.376 1.00 0.00 H new ATOM 0 HD1 TYR A 19 20.027 11.030 -14.296 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.500 8.533 -17.480 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.342 11.325 -13.446 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.820 8.818 -16.638 1.00 0.00 H new ATOM 0 HH TYR A 19 25.133 9.733 -15.105 1.00 0.00 H new ATOM 326 N PHE A 20 16.725 7.630 -17.257 1.00 0.00 N ATOM 327 CA PHE A 20 15.374 7.391 -17.762 1.00 0.00 C ATOM 328 C PHE A 20 14.510 6.780 -16.656 1.00 0.00 C ATOM 329 O PHE A 20 13.440 7.305 -16.348 1.00 0.00 O ATOM 330 CB PHE A 20 15.407 6.490 -19.008 1.00 0.00 C ATOM 331 CG PHE A 20 14.060 6.313 -19.682 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.565 7.305 -20.549 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.307 5.144 -19.456 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.324 7.127 -21.188 1.00 0.00 C ATOM 335 CE2 PHE A 20 12.076 4.960 -20.109 1.00 0.00 C ATOM 336 CZ PHE A 20 11.581 5.953 -20.972 1.00 0.00 C ATOM 0 H PHE A 20 17.458 7.167 -17.795 1.00 0.00 H new ATOM 0 HA PHE A 20 14.933 8.342 -18.060 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.109 6.910 -19.728 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.790 5.510 -18.724 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.138 8.204 -20.724 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.676 4.388 -18.779 1.00 0.00 H new ATOM 0 HE1 PHE A 20 11.942 7.894 -21.846 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.510 4.055 -19.947 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.632 5.814 -21.468 1.00 0.00 H new ATOM 346 N VAL A 21 15.006 5.727 -16.006 1.00 0.00 N ATOM 347 CA VAL A 21 14.336 5.071 -14.892 1.00 0.00 C ATOM 348 C VAL A 21 14.095 6.080 -13.762 1.00 0.00 C ATOM 349 O VAL A 21 12.992 6.101 -13.215 1.00 0.00 O ATOM 350 CB VAL A 21 15.166 3.846 -14.449 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.565 3.129 -13.240 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.259 2.786 -15.557 1.00 0.00 C ATOM 0 H VAL A 21 15.901 5.301 -16.246 1.00 0.00 H new ATOM 0 HA VAL A 21 13.355 4.703 -15.194 1.00 0.00 H new ATOM 0 HB VAL A 21 16.145 4.258 -14.205 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.191 2.277 -12.974 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.513 3.818 -12.397 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.562 2.780 -13.486 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.851 1.942 -15.204 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.258 2.443 -15.818 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.734 3.220 -16.437 1.00 0.00 H new ATOM 362 N GLN A 22 15.070 6.942 -13.427 1.00 0.00 N ATOM 363 CA GLN A 22 14.883 7.951 -12.387 1.00 0.00 C ATOM 364 C GLN A 22 13.676 8.833 -12.704 1.00 0.00 C ATOM 365 O GLN A 22 12.803 9.013 -11.855 1.00 0.00 O ATOM 366 CB GLN A 22 16.160 8.798 -12.184 1.00 0.00 C ATOM 367 CG GLN A 22 16.063 9.753 -10.965 1.00 0.00 C ATOM 368 CD GLN A 22 16.650 9.181 -9.679 1.00 0.00 C ATOM 369 OE1 GLN A 22 17.160 9.902 -8.821 1.00 0.00 O ATOM 370 NE2 GLN A 22 16.596 7.869 -9.528 1.00 0.00 N ATOM 0 H GLN A 22 15.992 6.955 -13.864 1.00 0.00 H new ATOM 0 HA GLN A 22 14.687 7.433 -11.448 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.014 8.133 -12.051 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.349 9.383 -13.084 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.577 10.684 -11.204 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.016 10.002 -10.794 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.169 7.290 -10.251 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.981 7.436 -8.689 1.00 0.00 H new ATOM 379 N MET A 23 13.622 9.378 -13.917 1.00 0.00 N ATOM 380 CA MET A 23 12.599 10.346 -14.281 1.00 0.00 C ATOM 381 C MET A 23 11.232 9.667 -14.396 1.00 0.00 C ATOM 382 O MET A 23 10.233 10.236 -13.955 1.00 0.00 O ATOM 383 CB MET A 23 13.009 11.053 -15.577 1.00 0.00 C ATOM 384 CG MET A 23 14.289 11.874 -15.347 1.00 0.00 C ATOM 385 SD MET A 23 14.864 12.831 -16.781 1.00 0.00 S ATOM 386 CE MET A 23 15.425 11.497 -17.878 1.00 0.00 C ATOM 0 H MET A 23 14.280 9.162 -14.666 1.00 0.00 H new ATOM 0 HA MET A 23 12.508 11.100 -13.500 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.175 10.318 -16.365 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.204 11.706 -15.915 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.117 12.560 -14.518 1.00 0.00 H new ATOM 0 HG3 MET A 23 15.086 11.196 -15.040 1.00 0.00 H new ATOM 0 HE1 MET A 23 15.873 11.927 -18.774 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.165 10.887 -17.360 1.00 0.00 H new ATOM 0 HE3 MET A 23 14.575 10.876 -18.160 1.00 0.00 H new ATOM 396 N GLU A 24 11.176 8.440 -14.920 1.00 0.00 N ATOM 397 CA GLU A 24 9.930 7.695 -15.045 1.00 0.00 C ATOM 398 C GLU A 24 9.377 7.287 -13.674 1.00 0.00 C ATOM 399 O GLU A 24 8.158 7.266 -13.502 1.00 0.00 O ATOM 400 CB GLU A 24 10.123 6.472 -15.960 1.00 0.00 C ATOM 401 CG GLU A 24 10.316 6.849 -17.439 1.00 0.00 C ATOM 402 CD GLU A 24 9.084 7.558 -18.019 1.00 0.00 C ATOM 403 OE1 GLU A 24 8.125 6.881 -18.452 1.00 0.00 O ATOM 404 OE2 GLU A 24 9.022 8.808 -17.987 1.00 0.00 O ATOM 0 H GLU A 24 11.994 7.940 -15.268 1.00 0.00 H new ATOM 0 HA GLU A 24 9.190 8.350 -15.505 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.989 5.904 -15.620 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.257 5.817 -15.868 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.187 7.497 -17.537 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.522 5.949 -18.018 1.00 0.00 H new ATOM 411 N ALA A 25 10.238 7.007 -12.691 1.00 0.00 N ATOM 412 CA ALA A 25 9.808 6.748 -11.322 1.00 0.00 C ATOM 413 C ALA A 25 9.298 8.031 -10.668 1.00 0.00 C ATOM 414 O ALA A 25 8.263 8.020 -9.997 1.00 0.00 O ATOM 415 CB ALA A 25 10.988 6.207 -10.513 1.00 0.00 C ATOM 0 H ALA A 25 11.248 6.955 -12.825 1.00 0.00 H new ATOM 0 HA ALA A 25 9.000 6.016 -11.342 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.669 6.013 -9.489 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.344 5.281 -10.964 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.793 6.941 -10.509 1.00 0.00 H new ATOM 421 N ASP A 26 10.027 9.136 -10.858 1.00 0.00 N ATOM 422 CA ASP A 26 9.741 10.417 -10.222 1.00 0.00 C ATOM 423 C ASP A 26 8.412 10.991 -10.702 1.00 0.00 C ATOM 424 O ASP A 26 7.588 11.389 -9.878 1.00 0.00 O ATOM 425 CB ASP A 26 10.870 11.416 -10.495 1.00 0.00 C ATOM 426 CG ASP A 26 10.534 12.789 -9.890 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.640 12.950 -8.654 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.184 13.718 -10.650 1.00 0.00 O ATOM 0 H ASP A 26 10.844 9.161 -11.468 1.00 0.00 H new ATOM 0 HA ASP A 26 9.670 10.243 -9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.803 11.044 -10.071 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.025 11.514 -11.570 1.00 0.00 H new ATOM 433 N LYS A 27 8.140 10.964 -12.015 1.00 0.00 N ATOM 434 CA LYS A 27 6.858 11.433 -12.550 1.00 0.00 C ATOM 435 C LYS A 27 5.680 10.571 -12.086 1.00 0.00 C ATOM 436 O LYS A 27 4.534 11.008 -12.190 1.00 0.00 O ATOM 437 CB LYS A 27 6.924 11.623 -14.080 1.00 0.00 C ATOM 438 CG LYS A 27 7.027 10.347 -14.935 1.00 0.00 C ATOM 439 CD LYS A 27 5.668 9.725 -15.305 1.00 0.00 C ATOM 440 CE LYS A 27 5.822 8.478 -16.190 1.00 0.00 C ATOM 441 NZ LYS A 27 6.287 8.793 -17.562 1.00 0.00 N ATOM 0 H LYS A 27 8.790 10.623 -12.723 1.00 0.00 H new ATOM 0 HA LYS A 27 6.666 12.420 -12.129 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.035 12.170 -14.393 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.783 12.254 -14.307 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.569 10.580 -15.851 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.618 9.607 -14.394 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.132 9.458 -14.394 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.061 10.466 -15.826 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.528 7.792 -15.722 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.865 7.960 -16.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.355 7.915 -18.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.611 9.438 -18.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.222 9.247 -17.516 1.00 0.00 H new ATOM 455 N ARG A 28 5.937 9.366 -11.560 1.00 0.00 N ATOM 456 CA ARG A 28 4.928 8.469 -10.997 1.00 0.00 C ATOM 457 C ARG A 28 5.023 8.420 -9.462 1.00 0.00 C ATOM 458 O ARG A 28 4.378 7.575 -8.843 1.00 0.00 O ATOM 459 CB ARG A 28 5.059 7.079 -11.663 1.00 0.00 C ATOM 460 CG ARG A 28 3.719 6.482 -12.117 1.00 0.00 C ATOM 461 CD ARG A 28 3.148 7.198 -13.350 1.00 0.00 C ATOM 462 NE ARG A 28 1.958 6.506 -13.884 1.00 0.00 N ATOM 463 CZ ARG A 28 1.026 7.030 -14.691 1.00 0.00 C ATOM 464 NH1 ARG A 28 1.014 8.330 -14.975 1.00 0.00 N ATOM 465 NH2 ARG A 28 0.110 6.225 -15.215 1.00 0.00 N ATOM 0 H ARG A 28 6.880 8.981 -11.515 1.00 0.00 H new ATOM 0 HA ARG A 28 3.929 8.848 -11.215 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.721 7.160 -12.525 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.533 6.393 -10.961 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.854 5.424 -12.344 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.001 6.544 -11.299 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.885 8.222 -13.086 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.913 7.255 -14.124 1.00 0.00 H new ATOM 0 HE ARG A 28 1.833 5.531 -13.611 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.723 8.946 -14.576 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.296 8.711 -15.592 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.125 5.228 -15.001 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.609 6.603 -15.832 1.00 0.00 H new ATOM 479 N LYS A 29 5.788 9.335 -8.848 1.00 0.00 N ATOM 480 CA LYS A 29 5.970 9.505 -7.403 1.00 0.00 C ATOM 481 C LYS A 29 6.312 8.197 -6.674 1.00 0.00 C ATOM 482 O LYS A 29 5.887 7.992 -5.534 1.00 0.00 O ATOM 483 CB LYS A 29 4.767 10.262 -6.803 1.00 0.00 C ATOM 484 CG LYS A 29 4.537 11.628 -7.478 1.00 0.00 C ATOM 485 CD LYS A 29 3.454 12.467 -6.788 1.00 0.00 C ATOM 486 CE LYS A 29 2.066 11.812 -6.874 1.00 0.00 C ATOM 487 NZ LYS A 29 1.011 12.653 -6.255 1.00 0.00 N ATOM 0 H LYS A 29 6.328 10.016 -9.382 1.00 0.00 H new ATOM 0 HA LYS A 29 6.854 10.123 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.869 9.653 -6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.930 10.410 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.473 12.187 -7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.256 11.469 -8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.721 12.611 -5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.416 13.455 -7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.816 11.629 -7.919 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.092 10.842 -6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.092 12.173 -6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.234 12.807 -5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.966 13.570 -6.744 1.00 0.00 H new ATOM 501 N LEU A 30 7.069 7.303 -7.317 1.00 0.00 N ATOM 502 CA LEU A 30 7.597 6.103 -6.663 1.00 0.00 C ATOM 503 C LEU A 30 8.772 6.484 -5.752 1.00 0.00 C ATOM 504 O LEU A 30 9.301 7.595 -5.847 1.00 0.00 O ATOM 505 CB LEU A 30 8.030 5.069 -7.714 1.00 0.00 C ATOM 506 CG LEU A 30 6.885 4.569 -8.616 1.00 0.00 C ATOM 507 CD1 LEU A 30 7.438 3.581 -9.636 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.756 3.882 -7.843 1.00 0.00 C ATOM 0 H LEU A 30 7.331 7.390 -8.299 1.00 0.00 H new ATOM 0 HA LEU A 30 6.814 5.654 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.806 5.508 -8.341 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.476 4.215 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 30 6.464 5.452 -9.097 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.629 3.226 -10.275 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.194 4.074 -10.247 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.887 2.735 -9.116 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.984 3.555 -8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.153 3.018 -7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.326 4.583 -7.128 1.00 0.00 H new ATOM 520 N ALA A 31 9.212 5.554 -4.899 1.00 0.00 N ATOM 521 CA ALA A 31 10.406 5.695 -4.066 1.00 0.00 C ATOM 522 C ALA A 31 11.184 4.379 -4.078 1.00 0.00 C ATOM 523 O ALA A 31 10.582 3.323 -4.272 1.00 0.00 O ATOM 524 CB ALA A 31 10.005 6.074 -2.636 1.00 0.00 C ATOM 0 H ALA A 31 8.735 4.662 -4.767 1.00 0.00 H new ATOM 0 HA ALA A 31 11.041 6.487 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.900 6.177 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.463 7.020 -2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.367 5.295 -2.219 1.00 0.00 H new ATOM 530 N GLY A 32 12.507 4.433 -3.895 1.00 0.00 N ATOM 531 CA GLY A 32 13.382 3.269 -4.012 1.00 0.00 C ATOM 532 C GLY A 32 14.699 3.637 -4.691 1.00 0.00 C ATOM 533 O GLY A 32 15.157 4.777 -4.557 1.00 0.00 O ATOM 0 H GLY A 32 13.002 5.294 -3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.582 2.860 -3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.880 2.489 -4.584 1.00 0.00 H new ATOM 537 N TRP A 33 15.306 2.698 -5.424 1.00 0.00 N ATOM 538 CA TRP A 33 16.581 2.915 -6.095 1.00 0.00 C ATOM 539 C TRP A 33 16.624 2.350 -7.513 1.00 0.00 C ATOM 540 O TRP A 33 15.866 1.449 -7.874 1.00 0.00 O ATOM 541 CB TRP A 33 17.749 2.362 -5.256 1.00 0.00 C ATOM 542 CG TRP A 33 17.827 0.881 -4.984 1.00 0.00 C ATOM 543 CD1 TRP A 33 18.053 -0.097 -5.898 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.803 0.198 -3.691 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.181 -1.317 -5.265 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.065 -1.188 -3.902 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.624 0.614 -2.353 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.171 -2.106 -2.849 1.00 0.00 C ATOM 549 CZ3 TRP A 33 17.708 -0.302 -1.286 1.00 0.00 C ATOM 550 CH2 TRP A 33 17.986 -1.660 -1.530 1.00 0.00 C ATOM 0 H TRP A 33 14.921 1.764 -5.566 1.00 0.00 H new ATOM 0 HA TRP A 33 16.690 3.995 -6.189 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.675 2.653 -5.752 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.730 2.871 -4.292 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.123 0.057 -6.965 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.341 -2.201 -5.747 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.419 1.654 -2.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.392 -3.144 -3.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.558 0.040 -0.273 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.057 -2.356 -0.707 1.00 0.00 H new ATOM 561 N VAL A 34 17.608 2.818 -8.280 1.00 0.00 N ATOM 562 CA VAL A 34 18.121 2.164 -9.475 1.00 0.00 C ATOM 563 C VAL A 34 19.646 2.159 -9.342 1.00 0.00 C ATOM 564 O VAL A 34 20.224 3.143 -8.870 1.00 0.00 O ATOM 565 CB VAL A 34 17.588 2.854 -10.754 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.888 4.361 -10.832 1.00 0.00 C ATOM 567 CG2 VAL A 34 18.109 2.179 -12.029 1.00 0.00 C ATOM 0 H VAL A 34 18.085 3.696 -8.075 1.00 0.00 H new ATOM 0 HA VAL A 34 17.775 1.135 -9.569 1.00 0.00 H new ATOM 0 HB VAL A 34 16.506 2.739 -10.685 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.480 4.766 -11.758 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.430 4.868 -9.982 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.966 4.519 -10.811 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.711 2.695 -12.903 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.198 2.225 -12.046 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.789 1.137 -12.046 1.00 0.00 H new ATOM 577 N LYS A 35 20.309 1.063 -9.719 1.00 0.00 N ATOM 578 CA LYS A 35 21.759 0.942 -9.626 1.00 0.00 C ATOM 579 C LYS A 35 22.317 -0.032 -10.649 1.00 0.00 C ATOM 580 O LYS A 35 21.597 -0.881 -11.174 1.00 0.00 O ATOM 581 CB LYS A 35 22.183 0.546 -8.198 1.00 0.00 C ATOM 582 CG LYS A 35 21.654 -0.784 -7.625 1.00 0.00 C ATOM 583 CD LYS A 35 22.181 -0.919 -6.182 1.00 0.00 C ATOM 584 CE LYS A 35 21.686 -2.144 -5.398 1.00 0.00 C ATOM 585 NZ LYS A 35 22.229 -3.436 -5.884 1.00 0.00 N ATOM 0 H LYS A 35 19.851 0.234 -10.098 1.00 0.00 H new ATOM 0 HA LYS A 35 22.182 1.921 -9.853 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.272 0.511 -8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.874 1.345 -7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.564 -0.798 -7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.990 -1.623 -8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.270 -0.949 -6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.903 -0.022 -5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.953 -2.022 -4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.598 -2.178 -5.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 22.047 -4.177 -5.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.767 -3.692 -6.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.254 -3.347 -6.036 1.00 0.00 H new ATOM 599 N ASN A 36 23.624 0.065 -10.893 1.00 0.00 N ATOM 600 CA ASN A 36 24.389 -1.024 -11.486 1.00 0.00 C ATOM 601 C ASN A 36 24.384 -2.193 -10.498 1.00 0.00 C ATOM 602 O ASN A 36 24.690 -1.996 -9.319 1.00 0.00 O ATOM 603 CB ASN A 36 25.831 -0.567 -11.749 1.00 0.00 C ATOM 604 CG ASN A 36 26.673 -1.738 -12.236 1.00 0.00 C ATOM 605 OD1 ASN A 36 26.443 -2.247 -13.325 1.00 0.00 O ATOM 606 ND2 ASN A 36 27.636 -2.196 -11.454 1.00 0.00 N ATOM 0 H ASN A 36 24.177 0.897 -10.685 1.00 0.00 H new ATOM 0 HA ASN A 36 23.947 -1.327 -12.435 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.838 0.230 -12.493 1.00 0.00 H new ATOM 0 HB3 ASN A 36 26.262 -0.155 -10.837 1.00 0.00 H new ATOM 0 HD21 ASN A 36 28.204 -2.988 -11.755 1.00 0.00 H new ATOM 0 HD22 ASN A 36 27.811 -1.757 -10.550 1.00 0.00 H new ATOM 613 N ARG A 37 24.050 -3.398 -10.956 1.00 0.00 N ATOM 614 CA ARG A 37 24.117 -4.613 -10.148 1.00 0.00 C ATOM 615 C ARG A 37 25.516 -5.211 -10.293 1.00 0.00 C ATOM 616 O ARG A 37 26.167 -5.001 -11.316 1.00 0.00 O ATOM 617 CB ARG A 37 23.003 -5.568 -10.610 1.00 0.00 C ATOM 618 CG ARG A 37 22.770 -6.735 -9.637 1.00 0.00 C ATOM 619 CD ARG A 37 21.418 -7.415 -9.892 1.00 0.00 C ATOM 620 NE ARG A 37 21.279 -8.661 -9.121 1.00 0.00 N ATOM 621 CZ ARG A 37 20.986 -8.773 -7.816 1.00 0.00 C ATOM 622 NH1 ARG A 37 20.759 -7.702 -7.056 1.00 0.00 N ATOM 623 NH2 ARG A 37 20.927 -9.982 -7.269 1.00 0.00 N ATOM 0 H ARG A 37 23.722 -3.559 -11.908 1.00 0.00 H new ATOM 0 HA ARG A 37 23.955 -4.412 -9.089 1.00 0.00 H new ATOM 0 HB2 ARG A 37 22.075 -5.007 -10.724 1.00 0.00 H new ATOM 0 HB3 ARG A 37 23.258 -5.966 -11.592 1.00 0.00 H new ATOM 0 HG2 ARG A 37 23.572 -7.465 -9.744 1.00 0.00 H new ATOM 0 HG3 ARG A 37 22.807 -6.368 -8.611 1.00 0.00 H new ATOM 0 HD2 ARG A 37 20.612 -6.731 -9.627 1.00 0.00 H new ATOM 0 HD3 ARG A 37 21.315 -7.632 -10.955 1.00 0.00 H new ATOM 0 HE ARG A 37 21.420 -9.532 -9.633 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.806 -6.768 -7.464 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.538 -7.816 -6.067 1.00 0.00 H new ATOM 0 HH21 ARG A 37 21.103 -10.809 -7.839 1.00 0.00 H new ATOM 0 HH22 ARG A 37 20.706 -10.083 -6.279 1.00 0.00 H new ATOM 637 N ASP A 38 25.972 -5.984 -9.307 1.00 0.00 N ATOM 638 CA ASP A 38 27.335 -6.533 -9.277 1.00 0.00 C ATOM 639 C ASP A 38 27.651 -7.400 -10.503 1.00 0.00 C ATOM 640 O ASP A 38 28.783 -7.402 -10.986 1.00 0.00 O ATOM 641 CB ASP A 38 27.537 -7.352 -7.997 1.00 0.00 C ATOM 642 CG ASP A 38 28.944 -7.971 -7.945 1.00 0.00 C ATOM 643 OD1 ASP A 38 29.927 -7.232 -7.708 1.00 0.00 O ATOM 644 OD2 ASP A 38 29.073 -9.206 -8.101 1.00 0.00 O ATOM 0 H ASP A 38 25.406 -6.250 -8.501 1.00 0.00 H new ATOM 0 HA ASP A 38 28.022 -5.687 -9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 38 27.386 -6.713 -7.127 1.00 0.00 H new ATOM 0 HB3 ASP A 38 26.788 -8.142 -7.946 1.00 0.00 H new ATOM 649 N ASP A 39 26.644 -8.099 -11.040 1.00 0.00 N ATOM 650 CA ASP A 39 26.771 -8.923 -12.247 1.00 0.00 C ATOM 651 C ASP A 39 27.005 -8.089 -13.518 1.00 0.00 C ATOM 652 O ASP A 39 27.448 -8.622 -14.538 1.00 0.00 O ATOM 653 CB ASP A 39 25.507 -9.777 -12.414 1.00 0.00 C ATOM 654 CG ASP A 39 25.619 -10.723 -13.620 1.00 0.00 C ATOM 655 OD1 ASP A 39 26.268 -11.787 -13.500 1.00 0.00 O ATOM 656 OD2 ASP A 39 25.033 -10.414 -14.680 1.00 0.00 O ATOM 0 H ASP A 39 25.705 -8.108 -10.642 1.00 0.00 H new ATOM 0 HA ASP A 39 27.648 -9.557 -12.117 1.00 0.00 H new ATOM 0 HB2 ASP A 39 25.338 -10.360 -11.508 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.642 -9.126 -12.540 1.00 0.00 H new ATOM 661 N GLY A 40 26.711 -6.786 -13.479 1.00 0.00 N ATOM 662 CA GLY A 40 26.842 -5.860 -14.598 1.00 0.00 C ATOM 663 C GLY A 40 25.504 -5.547 -15.273 1.00 0.00 C ATOM 664 O GLY A 40 25.490 -4.845 -16.286 1.00 0.00 O ATOM 0 H GLY A 40 26.362 -6.334 -12.633 1.00 0.00 H new ATOM 0 HA2 GLY A 40 27.290 -4.932 -14.244 1.00 0.00 H new ATOM 0 HA3 GLY A 40 27.525 -6.283 -15.335 1.00 0.00 H new ATOM 668 N ARG A 41 24.381 -6.063 -14.758 1.00 0.00 N ATOM 669 CA ARG A 41 23.047 -5.679 -15.222 1.00 0.00 C ATOM 670 C ARG A 41 22.647 -4.359 -14.559 1.00 0.00 C ATOM 671 O ARG A 41 23.348 -3.877 -13.667 1.00 0.00 O ATOM 672 CB ARG A 41 22.018 -6.783 -14.902 1.00 0.00 C ATOM 673 CG ARG A 41 22.312 -8.210 -15.405 1.00 0.00 C ATOM 674 CD ARG A 41 22.981 -8.324 -16.786 1.00 0.00 C ATOM 675 NE ARG A 41 24.433 -8.543 -16.675 1.00 0.00 N ATOM 676 CZ ARG A 41 25.378 -8.149 -17.537 1.00 0.00 C ATOM 677 NH1 ARG A 41 25.069 -7.582 -18.700 1.00 0.00 N ATOM 678 NH2 ARG A 41 26.655 -8.326 -17.215 1.00 0.00 N ATOM 0 H ARG A 41 24.374 -6.756 -14.010 1.00 0.00 H new ATOM 0 HA ARG A 41 23.066 -5.549 -16.304 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.901 -6.827 -13.819 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.057 -6.474 -15.314 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.951 -8.705 -14.674 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.373 -8.763 -15.434 1.00 0.00 H new ATOM 0 HD2 ARG A 41 22.531 -9.147 -17.341 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.793 -7.415 -17.357 1.00 0.00 H new ATOM 0 HE ARG A 41 24.754 -9.051 -15.851 1.00 0.00 H new ATOM 0 HH11 ARG A 41 24.092 -7.438 -18.953 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.810 -7.291 -19.338 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.901 -8.756 -16.323 1.00 0.00 H new ATOM 0 HH22 ARG A 41 27.389 -8.032 -17.859 1.00 0.00 H new ATOM 692 N VAL A 42 21.501 -3.800 -14.935 1.00 0.00 N ATOM 693 CA VAL A 42 20.885 -2.709 -14.183 1.00 0.00 C ATOM 694 C VAL A 42 19.845 -3.352 -13.263 1.00 0.00 C ATOM 695 O VAL A 42 19.204 -4.334 -13.638 1.00 0.00 O ATOM 696 CB VAL A 42 20.285 -1.654 -15.140 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.741 -0.442 -14.362 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.344 -1.137 -16.130 1.00 0.00 C ATOM 0 H VAL A 42 20.976 -4.086 -15.762 1.00 0.00 H new ATOM 0 HA VAL A 42 21.613 -2.163 -13.583 1.00 0.00 H new ATOM 0 HB VAL A 42 19.476 -2.147 -15.679 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.325 0.283 -15.062 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.962 -0.771 -13.675 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.550 0.021 -13.798 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.894 -0.396 -16.791 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.165 -0.679 -15.578 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.724 -1.969 -16.723 1.00 0.00 H new ATOM 708 N GLU A 43 19.661 -2.795 -12.070 1.00 0.00 N ATOM 709 CA GLU A 43 18.709 -3.234 -11.063 1.00 0.00 C ATOM 710 C GLU A 43 17.895 -2.017 -10.652 1.00 0.00 C ATOM 711 O GLU A 43 18.429 -0.916 -10.516 1.00 0.00 O ATOM 712 CB GLU A 43 19.482 -3.803 -9.868 1.00 0.00 C ATOM 713 CG GLU A 43 18.623 -4.111 -8.630 1.00 0.00 C ATOM 714 CD GLU A 43 19.492 -4.327 -7.391 1.00 0.00 C ATOM 715 OE1 GLU A 43 20.557 -4.984 -7.488 1.00 0.00 O ATOM 716 OE2 GLU A 43 19.139 -3.778 -6.325 1.00 0.00 O ATOM 0 H GLU A 43 20.201 -1.984 -11.767 1.00 0.00 H new ATOM 0 HA GLU A 43 18.046 -4.011 -11.443 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.984 -4.718 -10.181 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.260 -3.093 -9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.930 -3.289 -8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.021 -5.001 -8.814 1.00 0.00 H new ATOM 723 N ILE A 44 16.607 -2.235 -10.424 1.00 0.00 N ATOM 724 CA ILE A 44 15.604 -1.257 -10.065 1.00 0.00 C ATOM 725 C ILE A 44 14.877 -1.881 -8.871 1.00 0.00 C ATOM 726 O ILE A 44 14.620 -3.087 -8.875 1.00 0.00 O ATOM 727 CB ILE A 44 14.663 -1.086 -11.281 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.425 -0.750 -12.590 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.582 -0.023 -11.015 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.603 -1.089 -13.823 1.00 0.00 C ATOM 0 H ILE A 44 16.212 -3.173 -10.492 1.00 0.00 H new ATOM 0 HA ILE A 44 15.998 -0.274 -9.808 1.00 0.00 H new ATOM 0 HB ILE A 44 14.181 -2.053 -11.421 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.678 0.310 -12.602 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.364 -1.302 -12.616 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.940 0.070 -11.891 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.982 -0.321 -10.155 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.058 0.936 -10.810 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.171 -0.839 -14.719 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.372 -2.154 -13.825 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.675 -0.517 -13.810 1.00 0.00 H new ATOM 742 N LEU A 45 14.516 -1.096 -7.863 1.00 0.00 N ATOM 743 CA LEU A 45 13.716 -1.548 -6.730 1.00 0.00 C ATOM 744 C LEU A 45 12.826 -0.375 -6.368 1.00 0.00 C ATOM 745 O LEU A 45 13.353 0.701 -6.083 1.00 0.00 O ATOM 746 CB LEU A 45 14.640 -1.975 -5.576 1.00 0.00 C ATOM 747 CG LEU A 45 13.957 -2.851 -4.507 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.013 -3.339 -3.514 1.00 0.00 C ATOM 749 CD2 LEU A 45 12.846 -2.142 -3.721 1.00 0.00 C ATOM 0 H LEU A 45 14.775 -0.111 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 45 13.107 -2.422 -6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.488 -2.521 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.039 -1.081 -5.096 1.00 0.00 H new ATOM 0 HG LEU A 45 13.485 -3.672 -5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.538 -3.960 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.766 -3.924 -4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.488 -2.482 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.420 -2.831 -2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.261 -1.277 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.066 -1.814 -4.408 1.00 0.00 H new ATOM 761 N ALA A 46 11.504 -0.543 -6.423 1.00 0.00 N ATOM 762 CA ALA A 46 10.571 0.556 -6.237 1.00 0.00 C ATOM 763 C ALA A 46 9.358 0.112 -5.433 1.00 0.00 C ATOM 764 O ALA A 46 8.834 -0.987 -5.620 1.00 0.00 O ATOM 765 CB ALA A 46 10.125 1.102 -7.598 1.00 0.00 C ATOM 0 H ALA A 46 11.057 -1.443 -6.597 1.00 0.00 H new ATOM 0 HA ALA A 46 11.080 1.344 -5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.426 1.925 -7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.995 1.460 -8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.637 0.310 -8.166 1.00 0.00 H new ATOM 771 N GLU A 47 8.907 1.020 -4.576 1.00 0.00 N ATOM 772 CA GLU A 47 7.718 0.958 -3.746 1.00 0.00 C ATOM 773 C GLU A 47 6.723 1.989 -4.294 1.00 0.00 C ATOM 774 O GLU A 47 7.137 3.075 -4.720 1.00 0.00 O ATOM 775 CB GLU A 47 8.151 1.349 -2.323 1.00 0.00 C ATOM 776 CG GLU A 47 7.036 1.272 -1.274 1.00 0.00 C ATOM 777 CD GLU A 47 7.338 2.206 -0.090 1.00 0.00 C ATOM 778 OE1 GLU A 47 8.337 1.973 0.622 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.575 3.177 0.125 1.00 0.00 O ATOM 0 H GLU A 47 9.412 1.895 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 47 7.257 -0.030 -3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.968 0.698 -2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.544 2.366 -2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.084 1.548 -1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.935 0.247 -0.918 1.00 0.00 H new ATOM 786 N GLY A 48 5.423 1.686 -4.251 1.00 0.00 N ATOM 787 CA GLY A 48 4.383 2.649 -4.596 1.00 0.00 C ATOM 788 C GLY A 48 3.004 2.003 -4.709 1.00 0.00 C ATOM 789 O GLY A 48 2.857 0.820 -4.391 1.00 0.00 O ATOM 0 H GLY A 48 5.067 0.770 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.353 3.433 -3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.635 3.128 -5.542 1.00 0.00 H new ATOM 793 N PRO A 49 1.978 2.760 -5.133 1.00 0.00 N ATOM 794 CA PRO A 49 0.667 2.201 -5.419 1.00 0.00 C ATOM 795 C PRO A 49 0.728 1.333 -6.682 1.00 0.00 C ATOM 796 O PRO A 49 1.569 1.540 -7.564 1.00 0.00 O ATOM 797 CB PRO A 49 -0.271 3.403 -5.556 1.00 0.00 C ATOM 798 CG PRO A 49 0.647 4.539 -6.008 1.00 0.00 C ATOM 799 CD PRO A 49 2.003 4.193 -5.389 1.00 0.00 C ATOM 0 HA PRO A 49 0.306 1.538 -4.633 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.059 3.213 -6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.760 3.637 -4.611 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.708 4.594 -7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.285 5.506 -5.660 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.817 4.454 -6.065 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.164 4.751 -4.466 1.00 0.00 H new ATOM 807 N GLU A 50 -0.183 0.361 -6.771 1.00 0.00 N ATOM 808 CA GLU A 50 -0.128 -0.707 -7.763 1.00 0.00 C ATOM 809 C GLU A 50 -0.108 -0.152 -9.188 1.00 0.00 C ATOM 810 O GLU A 50 0.727 -0.571 -9.986 1.00 0.00 O ATOM 811 CB GLU A 50 -1.314 -1.662 -7.539 1.00 0.00 C ATOM 812 CG GLU A 50 -1.299 -2.869 -8.488 1.00 0.00 C ATOM 813 CD GLU A 50 -2.490 -3.808 -8.220 1.00 0.00 C ATOM 814 OE1 GLU A 50 -3.614 -3.525 -8.695 1.00 0.00 O ATOM 815 OE2 GLU A 50 -2.316 -4.848 -7.546 1.00 0.00 O ATOM 0 H GLU A 50 -0.988 0.296 -6.147 1.00 0.00 H new ATOM 0 HA GLU A 50 0.802 -1.262 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.298 -2.017 -6.508 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.246 -1.113 -7.673 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.332 -2.522 -9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.366 -3.418 -8.366 1.00 0.00 H new ATOM 822 N ASN A 51 -0.980 0.803 -9.528 1.00 0.00 N ATOM 823 CA ASN A 51 -1.058 1.267 -10.914 1.00 0.00 C ATOM 824 C ASN A 51 0.129 2.151 -11.301 1.00 0.00 C ATOM 825 O ASN A 51 0.546 2.138 -12.462 1.00 0.00 O ATOM 826 CB ASN A 51 -2.384 1.974 -11.201 1.00 0.00 C ATOM 827 CG ASN A 51 -2.499 2.307 -12.688 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.551 3.474 -13.068 1.00 0.00 O ATOM 829 ND2 ASN A 51 -2.539 1.305 -13.553 1.00 0.00 N ATOM 0 H ASN A 51 -1.625 1.258 -8.882 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.012 0.375 -11.539 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.216 1.337 -10.899 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.451 2.888 -10.611 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.614 1.496 -14.552 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.495 0.342 -13.220 1.00 0.00 H new ATOM 836 N ALA A 52 0.721 2.876 -10.345 1.00 0.00 N ATOM 837 CA ALA A 52 1.966 3.594 -10.593 1.00 0.00 C ATOM 838 C ALA A 52 3.073 2.589 -10.905 1.00 0.00 C ATOM 839 O ALA A 52 3.809 2.764 -11.875 1.00 0.00 O ATOM 840 CB ALA A 52 2.345 4.457 -9.386 1.00 0.00 C ATOM 0 H ALA A 52 0.356 2.978 -9.398 1.00 0.00 H new ATOM 0 HA ALA A 52 1.832 4.258 -11.447 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.277 4.983 -9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.554 5.182 -9.194 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.475 3.821 -8.510 1.00 0.00 H new ATOM 846 N LEU A 53 3.157 1.515 -10.116 1.00 0.00 N ATOM 847 CA LEU A 53 4.127 0.453 -10.330 1.00 0.00 C ATOM 848 C LEU A 53 3.892 -0.236 -11.678 1.00 0.00 C ATOM 849 O LEU A 53 4.861 -0.450 -12.402 1.00 0.00 O ATOM 850 CB LEU A 53 4.076 -0.533 -9.152 1.00 0.00 C ATOM 851 CG LEU A 53 4.760 -0.017 -7.871 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.447 -0.975 -6.722 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.285 0.096 -7.998 1.00 0.00 C ATOM 0 H LEU A 53 2.550 1.363 -9.310 1.00 0.00 H new ATOM 0 HA LEU A 53 5.130 0.877 -10.370 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.034 -0.762 -8.928 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.550 -1.467 -9.453 1.00 0.00 H new ATOM 0 HG LEU A 53 4.371 0.985 -7.688 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.927 -0.619 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.369 -1.021 -6.570 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.822 -1.969 -6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.702 0.465 -7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.705 -0.885 -8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.533 0.788 -8.803 1.00 0.00 H new ATOM 865 N GLN A 54 2.647 -0.530 -12.068 1.00 0.00 N ATOM 866 CA GLN A 54 2.331 -1.110 -13.379 1.00 0.00 C ATOM 867 C GLN A 54 2.840 -0.200 -14.503 1.00 0.00 C ATOM 868 O GLN A 54 3.553 -0.657 -15.402 1.00 0.00 O ATOM 869 CB GLN A 54 0.811 -1.304 -13.529 1.00 0.00 C ATOM 870 CG GLN A 54 0.240 -2.461 -12.692 1.00 0.00 C ATOM 871 CD GLN A 54 -1.296 -2.483 -12.672 1.00 0.00 C ATOM 872 OE1 GLN A 54 -1.970 -1.471 -12.865 1.00 0.00 O ATOM 873 NE2 GLN A 54 -1.892 -3.642 -12.444 1.00 0.00 N ATOM 0 H GLN A 54 1.827 -0.372 -11.482 1.00 0.00 H new ATOM 0 HA GLN A 54 2.825 -2.079 -13.449 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.308 -0.380 -13.243 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.580 -1.481 -14.579 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.607 -3.407 -13.091 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.611 -2.381 -11.670 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.333 -4.480 -12.284 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.910 -3.697 -12.428 1.00 0.00 H new ATOM 882 N SER A 55 2.516 1.096 -14.425 1.00 0.00 N ATOM 883 CA SER A 55 2.955 2.087 -15.403 1.00 0.00 C ATOM 884 C SER A 55 4.484 2.085 -15.505 1.00 0.00 C ATOM 885 O SER A 55 5.050 2.174 -16.595 1.00 0.00 O ATOM 886 CB SER A 55 2.477 3.485 -14.991 1.00 0.00 C ATOM 887 OG SER A 55 1.081 3.556 -14.721 1.00 0.00 O ATOM 0 H SER A 55 1.940 1.484 -13.678 1.00 0.00 H new ATOM 0 HA SER A 55 2.527 1.830 -16.372 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.026 3.800 -14.104 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.721 4.191 -15.785 1.00 0.00 H new ATOM 0 HG SER A 55 0.894 3.142 -13.852 1.00 0.00 H new ATOM 893 N PHE A 56 5.161 1.957 -14.364 1.00 0.00 N ATOM 894 CA PHE A 56 6.603 1.929 -14.312 1.00 0.00 C ATOM 895 C PHE A 56 7.162 0.627 -14.901 1.00 0.00 C ATOM 896 O PHE A 56 8.192 0.708 -15.561 1.00 0.00 O ATOM 897 CB PHE A 56 7.046 2.227 -12.877 1.00 0.00 C ATOM 898 CG PHE A 56 8.535 2.409 -12.657 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.259 3.354 -13.414 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.181 1.711 -11.619 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.617 3.582 -13.135 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.533 1.948 -11.335 1.00 0.00 C ATOM 903 CZ PHE A 56 11.247 2.889 -12.087 1.00 0.00 C ATOM 0 H PHE A 56 4.713 1.870 -13.452 1.00 0.00 H new ATOM 0 HA PHE A 56 7.027 2.707 -14.947 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.538 3.132 -12.543 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.703 1.414 -12.237 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.770 3.901 -14.207 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.630 0.987 -11.037 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.178 4.291 -13.727 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.022 1.407 -10.539 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.285 3.083 -11.861 1.00 0.00 H new ATOM 913 N VAL A 57 6.494 -0.536 -14.800 1.00 0.00 N ATOM 914 CA VAL A 57 6.930 -1.716 -15.558 1.00 0.00 C ATOM 915 C VAL A 57 6.821 -1.416 -17.053 1.00 0.00 C ATOM 916 O VAL A 57 7.764 -1.710 -17.785 1.00 0.00 O ATOM 917 CB VAL A 57 6.158 -3.016 -15.224 1.00 0.00 C ATOM 918 CG1 VAL A 57 6.822 -4.223 -15.914 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.122 -3.332 -13.729 1.00 0.00 C ATOM 0 H VAL A 57 5.671 -0.681 -14.216 1.00 0.00 H new ATOM 0 HA VAL A 57 7.962 -1.907 -15.265 1.00 0.00 H new ATOM 0 HB VAL A 57 5.141 -2.847 -15.577 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.269 -5.130 -15.671 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.817 -4.073 -16.994 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.850 -4.320 -15.566 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.566 -4.255 -13.566 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.140 -3.451 -13.358 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.635 -2.516 -13.196 1.00 0.00 H new ATOM 929 N GLU A 58 5.717 -0.817 -17.514 1.00 0.00 N ATOM 930 CA GLU A 58 5.535 -0.513 -18.932 1.00 0.00 C ATOM 931 C GLU A 58 6.653 0.413 -19.433 1.00 0.00 C ATOM 932 O GLU A 58 7.157 0.224 -20.542 1.00 0.00 O ATOM 933 CB GLU A 58 4.151 0.107 -19.202 1.00 0.00 C ATOM 934 CG GLU A 58 2.967 -0.823 -18.896 1.00 0.00 C ATOM 935 CD GLU A 58 2.929 -2.054 -19.812 1.00 0.00 C ATOM 936 OE1 GLU A 58 2.460 -1.944 -20.967 1.00 0.00 O ATOM 937 OE2 GLU A 58 3.369 -3.147 -19.391 1.00 0.00 O ATOM 0 H GLU A 58 4.936 -0.534 -16.922 1.00 0.00 H new ATOM 0 HA GLU A 58 5.589 -1.452 -19.484 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.049 1.013 -18.604 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.099 0.408 -20.248 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.026 -1.149 -17.858 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.036 -0.266 -19.003 1.00 0.00 H new ATOM 944 N ALA A 59 7.079 1.378 -18.610 1.00 0.00 N ATOM 945 CA ALA A 59 8.214 2.235 -18.913 1.00 0.00 C ATOM 946 C ALA A 59 9.526 1.437 -18.937 1.00 0.00 C ATOM 947 O ALA A 59 10.288 1.524 -19.898 1.00 0.00 O ATOM 948 CB ALA A 59 8.290 3.377 -17.893 1.00 0.00 C ATOM 0 H ALA A 59 6.639 1.581 -17.713 1.00 0.00 H new ATOM 0 HA ALA A 59 8.071 2.657 -19.908 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.142 4.016 -18.125 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.373 3.965 -17.936 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.409 2.963 -16.892 1.00 0.00 H new ATOM 954 N VAL A 60 9.798 0.656 -17.890 1.00 0.00 N ATOM 955 CA VAL A 60 11.057 -0.053 -17.703 1.00 0.00 C ATOM 956 C VAL A 60 11.262 -1.097 -18.803 1.00 0.00 C ATOM 957 O VAL A 60 12.360 -1.179 -19.356 1.00 0.00 O ATOM 958 CB VAL A 60 11.080 -0.652 -16.278 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.147 -1.735 -16.076 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.335 0.460 -15.245 1.00 0.00 C ATOM 0 H VAL A 60 9.132 0.498 -17.134 1.00 0.00 H new ATOM 0 HA VAL A 60 11.899 0.633 -17.791 1.00 0.00 H new ATOM 0 HB VAL A 60 10.104 -1.118 -16.141 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.100 -2.106 -15.052 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.966 -2.557 -16.768 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.134 -1.313 -16.264 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.350 0.030 -14.244 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.295 0.934 -15.450 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.541 1.205 -15.308 1.00 0.00 H new ATOM 970 N LYS A 61 10.235 -1.877 -19.160 1.00 0.00 N ATOM 971 CA LYS A 61 10.385 -2.960 -20.133 1.00 0.00 C ATOM 972 C LYS A 61 10.727 -2.441 -21.532 1.00 0.00 C ATOM 973 O LYS A 61 11.327 -3.175 -22.316 1.00 0.00 O ATOM 974 CB LYS A 61 9.149 -3.880 -20.126 1.00 0.00 C ATOM 975 CG LYS A 61 7.903 -3.281 -20.800 1.00 0.00 C ATOM 976 CD LYS A 61 6.712 -4.243 -20.729 1.00 0.00 C ATOM 977 CE LYS A 61 5.640 -3.822 -21.744 1.00 0.00 C ATOM 978 NZ LYS A 61 4.369 -4.554 -21.549 1.00 0.00 N ATOM 0 H LYS A 61 9.291 -1.776 -18.788 1.00 0.00 H new ATOM 0 HA LYS A 61 11.239 -3.564 -19.826 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.404 -4.814 -20.627 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.903 -4.129 -19.094 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.642 -2.340 -20.315 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.126 -3.052 -21.842 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.042 -5.261 -20.937 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.293 -4.243 -19.723 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.458 -2.751 -21.655 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.009 -4.000 -22.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.709 -4.314 -22.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.553 -5.578 -21.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.951 -4.286 -20.635 1.00 0.00 H new ATOM 992 N ASN A 62 10.375 -1.188 -21.849 1.00 0.00 N ATOM 993 CA ASN A 62 10.771 -0.552 -23.104 1.00 0.00 C ATOM 994 C ASN A 62 12.284 -0.303 -23.152 1.00 0.00 C ATOM 995 O ASN A 62 12.862 -0.242 -24.237 1.00 0.00 O ATOM 996 CB ASN A 62 10.039 0.790 -23.271 1.00 0.00 C ATOM 997 CG ASN A 62 10.341 1.428 -24.624 1.00 0.00 C ATOM 998 OD1 ASN A 62 9.810 1.015 -25.651 1.00 0.00 O ATOM 999 ND2 ASN A 62 11.181 2.449 -24.654 1.00 0.00 N ATOM 0 H ASN A 62 9.810 -0.592 -21.243 1.00 0.00 H new ATOM 0 HA ASN A 62 10.501 -1.229 -23.915 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.965 0.634 -23.173 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.337 1.470 -22.473 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.397 2.906 -25.540 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.613 2.779 -23.791 1.00 0.00 H new ATOM 1006 N GLY A 63 12.923 -0.133 -21.990 1.00 0.00 N ATOM 1007 CA GLY A 63 14.173 0.601 -21.889 1.00 0.00 C ATOM 1008 C GLY A 63 13.903 2.093 -22.120 1.00 0.00 C ATOM 1009 O GLY A 63 12.751 2.503 -22.297 1.00 0.00 O ATOM 0 H GLY A 63 12.584 -0.501 -21.101 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.620 0.448 -20.907 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.887 0.230 -22.625 1.00 0.00 H new ATOM 1013 N SER A 64 14.943 2.927 -22.155 1.00 0.00 N ATOM 1014 CA SER A 64 14.778 4.241 -22.766 1.00 0.00 C ATOM 1015 C SER A 64 14.523 4.047 -24.271 1.00 0.00 C ATOM 1016 O SER A 64 14.892 3.007 -24.825 1.00 0.00 O ATOM 1017 CB SER A 64 16.007 5.115 -22.504 1.00 0.00 C ATOM 1018 OG SER A 64 17.158 4.588 -23.142 1.00 0.00 O ATOM 0 H SER A 64 15.872 2.727 -21.783 1.00 0.00 H new ATOM 0 HA SER A 64 13.926 4.759 -22.325 1.00 0.00 H new ATOM 0 HB2 SER A 64 15.820 6.127 -22.864 1.00 0.00 H new ATOM 0 HB3 SER A 64 16.184 5.186 -21.431 1.00 0.00 H new ATOM 0 HG SER A 64 17.316 3.673 -22.828 1.00 0.00 H new ATOM 1024 N PRO A 65 13.980 5.047 -24.978 1.00 0.00 N ATOM 1025 CA PRO A 65 14.021 5.117 -26.436 1.00 0.00 C ATOM 1026 C PRO A 65 15.406 4.837 -27.054 1.00 0.00 C ATOM 1027 O PRO A 65 15.475 4.371 -28.192 1.00 0.00 O ATOM 1028 CB PRO A 65 13.526 6.526 -26.771 1.00 0.00 C ATOM 1029 CG PRO A 65 12.549 6.829 -25.633 1.00 0.00 C ATOM 1030 CD PRO A 65 13.174 6.123 -24.429 1.00 0.00 C ATOM 0 HA PRO A 65 13.400 4.332 -26.867 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.345 7.245 -26.801 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.035 6.560 -27.744 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.451 7.901 -25.463 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.551 6.448 -25.848 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.785 6.811 -23.846 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.405 5.735 -23.761 1.00 0.00 H new ATOM 1038 N PHE A 66 16.504 5.100 -26.328 1.00 0.00 N ATOM 1039 CA PHE A 66 17.865 4.824 -26.788 1.00 0.00 C ATOM 1040 C PHE A 66 18.287 3.378 -26.495 1.00 0.00 C ATOM 1041 O PHE A 66 19.179 2.849 -27.162 1.00 0.00 O ATOM 1042 CB PHE A 66 18.844 5.790 -26.102 1.00 0.00 C ATOM 1043 CG PHE A 66 18.464 7.256 -26.224 1.00 0.00 C ATOM 1044 CD1 PHE A 66 18.644 7.933 -27.445 1.00 0.00 C ATOM 1045 CD2 PHE A 66 17.906 7.939 -25.124 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.269 9.283 -27.567 1.00 0.00 C ATOM 1047 CE2 PHE A 66 17.530 9.288 -25.248 1.00 0.00 C ATOM 1048 CZ PHE A 66 17.711 9.962 -26.469 1.00 0.00 C ATOM 0 H PHE A 66 16.466 5.514 -25.397 1.00 0.00 H new ATOM 0 HA PHE A 66 17.886 4.966 -27.869 1.00 0.00 H new ATOM 0 HB2 PHE A 66 18.911 5.531 -25.045 1.00 0.00 H new ATOM 0 HB3 PHE A 66 19.837 5.647 -26.529 1.00 0.00 H new ATOM 0 HD1 PHE A 66 19.071 7.414 -28.290 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.767 7.425 -24.184 1.00 0.00 H new ATOM 0 HE1 PHE A 66 18.410 9.799 -28.505 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.101 9.808 -24.404 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.422 10.998 -26.563 1.00 0.00 H new ATOM 1058 N SER A 67 17.680 2.731 -25.502 1.00 0.00 N ATOM 1059 CA SER A 67 18.038 1.388 -25.072 1.00 0.00 C ATOM 1060 C SER A 67 17.580 0.317 -26.070 1.00 0.00 C ATOM 1061 O SER A 67 16.790 0.577 -26.983 1.00 0.00 O ATOM 1062 CB SER A 67 17.390 1.112 -23.710 1.00 0.00 C ATOM 1063 OG SER A 67 17.810 2.017 -22.704 1.00 0.00 O ATOM 0 H SER A 67 16.912 3.136 -24.966 1.00 0.00 H new ATOM 0 HA SER A 67 19.125 1.338 -25.007 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.306 1.167 -23.811 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.629 0.095 -23.399 1.00 0.00 H new ATOM 0 HG SER A 67 17.636 1.628 -21.821 1.00 0.00 H new ATOM 1069 N LYS A 68 18.024 -0.918 -25.829 1.00 0.00 N ATOM 1070 CA LYS A 68 17.421 -2.141 -26.346 1.00 0.00 C ATOM 1071 C LYS A 68 17.522 -3.160 -25.217 1.00 0.00 C ATOM 1072 O LYS A 68 18.591 -3.730 -25.004 1.00 0.00 O ATOM 1073 CB LYS A 68 18.124 -2.613 -27.636 1.00 0.00 C ATOM 1074 CG LYS A 68 17.479 -3.904 -28.179 1.00 0.00 C ATOM 1075 CD LYS A 68 18.182 -4.470 -29.421 1.00 0.00 C ATOM 1076 CE LYS A 68 17.999 -3.570 -30.652 1.00 0.00 C ATOM 1077 NZ LYS A 68 18.603 -4.162 -31.873 1.00 0.00 N ATOM 0 H LYS A 68 18.843 -1.097 -25.247 1.00 0.00 H new ATOM 0 HA LYS A 68 16.381 -1.990 -26.634 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.069 -1.829 -28.392 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.181 -2.788 -27.435 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.484 -4.660 -27.394 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.436 -3.704 -28.423 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.246 -4.586 -29.213 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.789 -5.463 -29.638 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.936 -3.399 -30.821 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.452 -2.597 -30.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.456 -3.521 -32.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.623 -4.301 -31.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.154 -5.078 -32.073 1.00 0.00 H new ATOM 1091 N VAL A 69 16.444 -3.347 -24.459 1.00 0.00 N ATOM 1092 CA VAL A 69 16.353 -4.441 -23.495 1.00 0.00 C ATOM 1093 C VAL A 69 16.377 -5.749 -24.294 1.00 0.00 C ATOM 1094 O VAL A 69 15.674 -5.863 -25.303 1.00 0.00 O ATOM 1095 CB VAL A 69 15.065 -4.302 -22.647 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.939 -5.425 -21.606 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.025 -2.947 -21.920 1.00 0.00 C ATOM 0 H VAL A 69 15.617 -2.751 -24.494 1.00 0.00 H new ATOM 0 HA VAL A 69 17.187 -4.425 -22.794 1.00 0.00 H new ATOM 0 HB VAL A 69 14.229 -4.372 -23.343 1.00 0.00 H new ATOM 0 HG11 VAL A 69 14.022 -5.289 -21.033 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.911 -6.390 -22.113 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.795 -5.394 -20.932 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.110 -2.876 -21.332 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.888 -2.863 -21.260 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.049 -2.140 -22.653 1.00 0.00 H new ATOM 1107 N THR A 70 17.150 -6.734 -23.841 1.00 0.00 N ATOM 1108 CA THR A 70 17.196 -8.069 -24.430 1.00 0.00 C ATOM 1109 C THR A 70 16.794 -9.137 -23.401 1.00 0.00 C ATOM 1110 O THR A 70 16.400 -10.238 -23.794 1.00 0.00 O ATOM 1111 CB THR A 70 18.584 -8.318 -25.050 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.609 -8.177 -24.085 1.00 0.00 O ATOM 1113 CG2 THR A 70 18.887 -7.321 -26.176 1.00 0.00 C ATOM 0 H THR A 70 17.772 -6.624 -23.040 1.00 0.00 H new ATOM 0 HA THR A 70 16.465 -8.138 -25.236 1.00 0.00 H new ATOM 0 HB THR A 70 18.561 -9.335 -25.441 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.479 -8.342 -24.505 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.874 -7.528 -26.589 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.137 -7.420 -26.961 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.865 -6.306 -25.779 1.00 0.00 H new ATOM 1121 N ASP A 71 16.819 -8.820 -22.099 1.00 0.00 N ATOM 1122 CA ASP A 71 16.302 -9.675 -21.033 1.00 0.00 C ATOM 1123 C ASP A 71 15.882 -8.802 -19.849 1.00 0.00 C ATOM 1124 O ASP A 71 16.485 -7.757 -19.593 1.00 0.00 O ATOM 1125 CB ASP A 71 17.367 -10.690 -20.593 1.00 0.00 C ATOM 1126 CG ASP A 71 16.870 -11.546 -19.418 1.00 0.00 C ATOM 1127 OD1 ASP A 71 15.909 -12.325 -19.606 1.00 0.00 O ATOM 1128 OD2 ASP A 71 17.447 -11.456 -18.312 1.00 0.00 O ATOM 0 H ASP A 71 17.209 -7.942 -21.755 1.00 0.00 H new ATOM 0 HA ASP A 71 15.438 -10.228 -21.403 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.626 -11.336 -21.432 1.00 0.00 H new ATOM 0 HB3 ASP A 71 18.276 -10.164 -20.303 1.00 0.00 H new ATOM 1133 N ILE A 72 14.843 -9.224 -19.133 1.00 0.00 N ATOM 1134 CA ILE A 72 14.294 -8.552 -17.964 1.00 0.00 C ATOM 1135 C ILE A 72 13.755 -9.636 -17.018 1.00 0.00 C ATOM 1136 O ILE A 72 13.204 -10.641 -17.478 1.00 0.00 O ATOM 1137 CB ILE A 72 13.240 -7.501 -18.408 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.597 -6.803 -17.189 1.00 0.00 C ATOM 1139 CG2 ILE A 72 12.162 -8.070 -19.357 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.812 -5.534 -17.548 1.00 0.00 C ATOM 0 H ILE A 72 14.341 -10.081 -19.364 1.00 0.00 H new ATOM 0 HA ILE A 72 15.048 -7.985 -17.417 1.00 0.00 H new ATOM 0 HB ILE A 72 13.787 -6.756 -18.986 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.928 -7.505 -16.691 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.379 -6.546 -16.474 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.460 -7.280 -19.626 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.638 -8.455 -20.259 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.626 -8.877 -18.857 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.390 -5.099 -16.642 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.481 -4.813 -18.019 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.007 -5.787 -18.238 1.00 0.00 H new ATOM 1152 N SER A 73 13.917 -9.437 -15.708 1.00 0.00 N ATOM 1153 CA SER A 73 13.498 -10.357 -14.651 1.00 0.00 C ATOM 1154 C SER A 73 12.890 -9.547 -13.504 1.00 0.00 C ATOM 1155 O SER A 73 13.227 -8.374 -13.341 1.00 0.00 O ATOM 1156 CB SER A 73 14.709 -11.163 -14.153 1.00 0.00 C ATOM 1157 OG SER A 73 15.317 -11.907 -15.197 1.00 0.00 O ATOM 0 H SER A 73 14.362 -8.596 -15.341 1.00 0.00 H new ATOM 0 HA SER A 73 12.754 -11.054 -15.037 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.442 -10.484 -13.717 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.392 -11.842 -13.361 1.00 0.00 H new ATOM 0 HG SER A 73 16.083 -12.404 -14.841 1.00 0.00 H new ATOM 1163 N VAL A 74 12.006 -10.159 -12.709 1.00 0.00 N ATOM 1164 CA VAL A 74 11.176 -9.473 -11.718 1.00 0.00 C ATOM 1165 C VAL A 74 11.157 -10.297 -10.421 1.00 0.00 C ATOM 1166 O VAL A 74 11.176 -11.530 -10.451 1.00 0.00 O ATOM 1167 CB VAL A 74 9.749 -9.255 -12.290 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.836 -8.484 -11.319 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.764 -8.502 -13.633 1.00 0.00 C ATOM 0 H VAL A 74 11.846 -11.166 -12.739 1.00 0.00 H new ATOM 0 HA VAL A 74 11.590 -8.491 -11.489 1.00 0.00 H new ATOM 0 HB VAL A 74 9.352 -10.259 -12.440 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.851 -8.359 -11.768 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.742 -9.042 -10.387 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.268 -7.505 -11.113 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.742 -8.375 -13.990 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.225 -7.524 -13.496 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.336 -9.073 -14.364 1.00 0.00 H new ATOM 1179 N THR A 75 11.093 -9.596 -9.292 1.00 0.00 N ATOM 1180 CA THR A 75 10.885 -10.103 -7.940 1.00 0.00 C ATOM 1181 C THR A 75 9.829 -9.178 -7.310 1.00 0.00 C ATOM 1182 O THR A 75 9.748 -8.008 -7.688 1.00 0.00 O ATOM 1183 CB THR A 75 12.207 -10.036 -7.141 1.00 0.00 C ATOM 1184 OG1 THR A 75 13.366 -10.184 -7.952 1.00 0.00 O ATOM 1185 CG2 THR A 75 12.272 -11.088 -6.034 1.00 0.00 C ATOM 0 H THR A 75 11.193 -8.581 -9.300 1.00 0.00 H new ATOM 0 HA THR A 75 10.559 -11.143 -7.939 1.00 0.00 H new ATOM 0 HB THR A 75 12.204 -9.036 -6.707 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.423 -11.107 -8.276 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.220 -10.999 -5.503 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.449 -10.933 -5.336 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.194 -12.083 -6.472 1.00 0.00 H new ATOM 1193 N GLU A 76 9.041 -9.641 -6.341 1.00 0.00 N ATOM 1194 CA GLU A 76 7.979 -8.846 -5.716 1.00 0.00 C ATOM 1195 C GLU A 76 8.167 -8.875 -4.198 1.00 0.00 C ATOM 1196 O GLU A 76 8.730 -9.833 -3.658 1.00 0.00 O ATOM 1197 CB GLU A 76 6.598 -9.381 -6.129 1.00 0.00 C ATOM 1198 CG GLU A 76 6.319 -9.179 -7.626 1.00 0.00 C ATOM 1199 CD GLU A 76 4.915 -9.680 -8.011 1.00 0.00 C ATOM 1200 OE1 GLU A 76 4.750 -10.890 -8.289 1.00 0.00 O ATOM 1201 OE2 GLU A 76 3.964 -8.869 -8.058 1.00 0.00 O ATOM 0 H GLU A 76 9.120 -10.585 -5.963 1.00 0.00 H new ATOM 0 HA GLU A 76 8.037 -7.812 -6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.536 -10.443 -5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.827 -8.877 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.410 -8.122 -7.875 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.069 -9.710 -8.212 1.00 0.00 H new ATOM 1208 N SER A 77 7.708 -7.828 -3.509 1.00 0.00 N ATOM 1209 CA SER A 77 7.861 -7.671 -2.068 1.00 0.00 C ATOM 1210 C SER A 77 6.667 -6.906 -1.490 1.00 0.00 C ATOM 1211 O SER A 77 5.889 -6.282 -2.216 1.00 0.00 O ATOM 1212 CB SER A 77 9.211 -6.992 -1.750 1.00 0.00 C ATOM 1213 OG SER A 77 9.597 -6.007 -2.700 1.00 0.00 O ATOM 0 H SER A 77 7.211 -7.053 -3.949 1.00 0.00 H new ATOM 0 HA SER A 77 7.873 -8.651 -1.591 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.151 -6.529 -0.765 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.987 -7.755 -1.697 1.00 0.00 H new ATOM 0 HG SER A 77 10.561 -6.071 -2.865 1.00 0.00 H new ATOM 1219 N ARG A 78 6.521 -6.944 -0.164 1.00 0.00 N ATOM 1220 CA ARG A 78 5.496 -6.225 0.599 1.00 0.00 C ATOM 1221 C ARG A 78 6.214 -5.633 1.814 1.00 0.00 C ATOM 1222 O ARG A 78 5.799 -5.809 2.960 1.00 0.00 O ATOM 1223 CB ARG A 78 4.330 -7.165 0.968 1.00 0.00 C ATOM 1224 CG ARG A 78 3.538 -7.646 -0.261 1.00 0.00 C ATOM 1225 CD ARG A 78 2.303 -8.476 0.118 1.00 0.00 C ATOM 1226 NE ARG A 78 2.667 -9.754 0.763 1.00 0.00 N ATOM 1227 CZ ARG A 78 2.563 -10.060 2.065 1.00 0.00 C ATOM 1228 NH1 ARG A 78 2.097 -9.175 2.943 1.00 0.00 N ATOM 1229 NH2 ARG A 78 2.936 -11.265 2.486 1.00 0.00 N ATOM 0 H ARG A 78 7.137 -7.498 0.432 1.00 0.00 H new ATOM 0 HA ARG A 78 5.033 -5.424 0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.722 -8.030 1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.655 -6.648 1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.224 -6.782 -0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.191 -8.243 -0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.671 -7.898 0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.714 -8.677 -0.777 1.00 0.00 H new ATOM 0 HE ARG A 78 3.037 -10.482 0.153 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.812 -8.247 2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.025 -9.425 3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.298 -11.948 1.821 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.860 -11.506 3.474 1.00 0.00 H new ATOM 1243 N SER A 79 7.356 -5.003 1.540 1.00 0.00 N ATOM 1244 CA SER A 79 8.468 -4.875 2.477 1.00 0.00 C ATOM 1245 C SER A 79 8.984 -3.428 2.462 1.00 0.00 C ATOM 1246 O SER A 79 10.190 -3.192 2.521 1.00 0.00 O ATOM 1247 CB SER A 79 9.538 -5.914 2.098 1.00 0.00 C ATOM 1248 OG SER A 79 8.953 -7.177 1.788 1.00 0.00 O ATOM 0 H SER A 79 7.536 -4.558 0.640 1.00 0.00 H new ATOM 0 HA SER A 79 8.160 -5.079 3.502 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.107 -5.555 1.241 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.242 -6.030 2.922 1.00 0.00 H new ATOM 0 HG SER A 79 9.658 -7.814 1.550 1.00 0.00 H new ATOM 1254 N LEU A 80 8.029 -2.496 2.325 1.00 0.00 N ATOM 1255 CA LEU A 80 8.147 -1.056 2.084 1.00 0.00 C ATOM 1256 C LEU A 80 9.490 -0.484 2.551 1.00 0.00 C ATOM 1257 O LEU A 80 9.744 -0.388 3.756 1.00 0.00 O ATOM 1258 CB LEU A 80 6.968 -0.322 2.750 1.00 0.00 C ATOM 1259 CG LEU A 80 5.647 -0.288 1.948 1.00 0.00 C ATOM 1260 CD1 LEU A 80 5.169 -1.645 1.404 1.00 0.00 C ATOM 1261 CD2 LEU A 80 4.547 0.320 2.824 1.00 0.00 C ATOM 0 H LEU A 80 7.048 -2.767 2.388 1.00 0.00 H new ATOM 0 HA LEU A 80 8.111 -0.897 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.772 -0.792 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.273 0.705 2.952 1.00 0.00 H new ATOM 0 HG LEU A 80 5.855 0.319 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.235 -1.510 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.925 -2.055 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.007 -2.333 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.611 0.348 2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.417 -0.288 3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.829 1.333 3.111 1.00 0.00 H new ATOM 1273 N GLU A 81 10.335 -0.099 1.592 1.00 0.00 N ATOM 1274 CA GLU A 81 11.625 0.538 1.834 1.00 0.00 C ATOM 1275 C GLU A 81 11.468 1.820 2.669 1.00 0.00 C ATOM 1276 O GLU A 81 12.355 2.148 3.461 1.00 0.00 O ATOM 1277 CB GLU A 81 12.332 0.889 0.507 1.00 0.00 C ATOM 1278 CG GLU A 81 12.651 -0.282 -0.437 1.00 0.00 C ATOM 1279 CD GLU A 81 13.317 -1.477 0.278 1.00 0.00 C ATOM 1280 OE1 GLU A 81 14.392 -1.292 0.894 1.00 0.00 O ATOM 1281 OE2 GLU A 81 12.787 -2.610 0.220 1.00 0.00 O ATOM 0 H GLU A 81 10.133 -0.226 0.600 1.00 0.00 H new ATOM 0 HA GLU A 81 12.232 -0.179 2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.708 1.601 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.266 1.399 0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.729 -0.619 -0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.309 0.070 -1.232 1.00 0.00 H new ATOM 1288 N GLY A 82 10.357 2.548 2.498 1.00 0.00 N ATOM 1289 CA GLY A 82 10.123 3.844 3.123 1.00 0.00 C ATOM 1290 C GLY A 82 11.164 4.883 2.694 1.00 0.00 C ATOM 1291 O GLY A 82 11.498 5.774 3.478 1.00 0.00 O ATOM 0 H GLY A 82 9.584 2.241 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.127 4.199 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.146 3.733 4.207 1.00 0.00 H new ATOM 1295 N HIS A 83 11.729 4.735 1.489 1.00 0.00 N ATOM 1296 CA HIS A 83 12.817 5.574 1.001 1.00 0.00 C ATOM 1297 C HIS A 83 12.331 7.019 0.813 1.00 0.00 C ATOM 1298 O HIS A 83 11.155 7.252 0.519 1.00 0.00 O ATOM 1299 CB HIS A 83 13.387 4.985 -0.301 1.00 0.00 C ATOM 1300 CG HIS A 83 14.839 5.325 -0.530 1.00 0.00 C ATOM 1301 ND1 HIS A 83 15.359 6.014 -1.602 1.00 0.00 N ATOM 1302 CD2 HIS A 83 15.894 4.976 0.271 1.00 0.00 C ATOM 1303 CE1 HIS A 83 16.691 6.088 -1.445 1.00 0.00 C ATOM 1304 NE2 HIS A 83 17.070 5.471 -0.309 1.00 0.00 N ATOM 0 H HIS A 83 11.436 4.020 0.823 1.00 0.00 H new ATOM 0 HA HIS A 83 13.621 5.594 1.737 1.00 0.00 H new ATOM 0 HB2 HIS A 83 13.275 3.901 -0.280 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.799 5.350 -1.143 1.00 0.00 H new ATOM 0 HD1 HIS A 83 14.826 6.401 -2.380 1.00 0.00 H new ATOM 0 HD2 HIS A 83 15.830 4.415 1.192 1.00 0.00 H new ATOM 0 HE1 HIS A 83 17.365 6.575 -2.134 1.00 0.00 H new ATOM 1312 N HIS A 84 13.235 7.990 0.963 1.00 0.00 N ATOM 1313 CA HIS A 84 12.889 9.412 0.925 1.00 0.00 C ATOM 1314 C HIS A 84 12.437 9.867 -0.472 1.00 0.00 C ATOM 1315 O HIS A 84 11.634 10.794 -0.589 1.00 0.00 O ATOM 1316 CB HIS A 84 14.096 10.246 1.381 1.00 0.00 C ATOM 1317 CG HIS A 84 14.615 9.870 2.750 1.00 0.00 C ATOM 1318 ND1 HIS A 84 15.851 9.331 3.038 1.00 0.00 N ATOM 1319 CD2 HIS A 84 13.942 9.991 3.937 1.00 0.00 C ATOM 1320 CE1 HIS A 84 15.920 9.134 4.366 1.00 0.00 C ATOM 1321 NE2 HIS A 84 14.776 9.522 4.963 1.00 0.00 N ATOM 0 H HIS A 84 14.228 7.812 1.114 1.00 0.00 H new ATOM 0 HA HIS A 84 12.048 9.565 1.602 1.00 0.00 H new ATOM 0 HB2 HIS A 84 14.900 10.132 0.654 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.817 11.300 1.385 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.942 10.380 4.061 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.774 8.722 4.883 1.00 0.00 H new ATOM 0 HE2 HIS A 84 14.560 9.483 5.959 1.00 0.00 H new ATOM 1329 N ARG A 85 12.958 9.232 -1.527 1.00 0.00 N ATOM 1330 CA ARG A 85 12.701 9.543 -2.935 1.00 0.00 C ATOM 1331 C ARG A 85 13.053 8.305 -3.762 1.00 0.00 C ATOM 1332 O ARG A 85 13.412 7.269 -3.194 1.00 0.00 O ATOM 1333 CB ARG A 85 13.513 10.794 -3.355 1.00 0.00 C ATOM 1334 CG ARG A 85 15.036 10.574 -3.343 1.00 0.00 C ATOM 1335 CD ARG A 85 15.851 11.848 -3.609 1.00 0.00 C ATOM 1336 NE ARG A 85 15.595 12.430 -4.941 1.00 0.00 N ATOM 1337 CZ ARG A 85 16.158 12.055 -6.099 1.00 0.00 C ATOM 1338 NH1 ARG A 85 17.032 11.057 -6.153 1.00 0.00 N ATOM 1339 NH2 ARG A 85 15.843 12.687 -7.224 1.00 0.00 N ATOM 0 H ARG A 85 13.602 8.449 -1.415 1.00 0.00 H new ATOM 0 HA ARG A 85 11.652 9.785 -3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.206 11.096 -4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.268 11.618 -2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.326 10.164 -2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.291 9.828 -4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.617 12.589 -2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.913 11.619 -3.517 1.00 0.00 H new ATOM 0 HE ARG A 85 14.922 13.195 -4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.289 10.557 -5.302 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.447 10.790 -7.046 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.174 13.456 -7.206 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.270 12.403 -8.105 1.00 0.00 H new ATOM 1353 N PHE A 86 12.989 8.387 -5.089 1.00 0.00 N ATOM 1354 CA PHE A 86 13.615 7.392 -5.953 1.00 0.00 C ATOM 1355 C PHE A 86 15.014 7.903 -6.308 1.00 0.00 C ATOM 1356 O PHE A 86 15.102 9.044 -6.755 1.00 0.00 O ATOM 1357 CB PHE A 86 12.759 7.196 -7.209 1.00 0.00 C ATOM 1358 CG PHE A 86 13.168 5.959 -7.970 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.796 4.677 -7.526 1.00 0.00 C ATOM 1360 CD2 PHE A 86 13.967 6.099 -9.111 1.00 0.00 C ATOM 1361 CE1 PHE A 86 13.254 3.542 -8.211 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.423 4.966 -9.802 1.00 0.00 C ATOM 1363 CZ PHE A 86 14.068 3.687 -9.345 1.00 0.00 C ATOM 0 H PHE A 86 12.508 9.135 -5.589 1.00 0.00 H new ATOM 0 HA PHE A 86 13.695 6.426 -5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.709 7.120 -6.927 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.853 8.069 -7.855 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.160 4.567 -6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.234 7.085 -9.462 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.980 2.556 -7.866 1.00 0.00 H new ATOM 0 HE2 PHE A 86 15.043 5.077 -10.679 1.00 0.00 H new ATOM 0 HZ PHE A 86 14.423 2.811 -9.868 1.00 0.00 H new ATOM 1373 N SER A 87 16.082 7.107 -6.148 1.00 0.00 N ATOM 1374 CA SER A 87 17.469 7.580 -6.270 1.00 0.00 C ATOM 1375 C SER A 87 18.336 6.673 -7.144 1.00 0.00 C ATOM 1376 O SER A 87 18.169 5.457 -7.156 1.00 0.00 O ATOM 1377 CB SER A 87 18.087 7.710 -4.877 1.00 0.00 C ATOM 1378 OG SER A 87 17.556 8.852 -4.225 1.00 0.00 O ATOM 0 H SER A 87 16.007 6.113 -5.930 1.00 0.00 H new ATOM 0 HA SER A 87 17.436 8.551 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.879 6.815 -4.291 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.171 7.795 -4.956 1.00 0.00 H new ATOM 0 HG SER A 87 17.952 8.933 -3.332 1.00 0.00 H new ATOM 1384 N ILE A 88 19.253 7.273 -7.907 1.00 0.00 N ATOM 1385 CA ILE A 88 20.306 6.535 -8.598 1.00 0.00 C ATOM 1386 C ILE A 88 21.382 6.264 -7.539 1.00 0.00 C ATOM 1387 O ILE A 88 21.712 7.160 -6.756 1.00 0.00 O ATOM 1388 CB ILE A 88 20.870 7.316 -9.817 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.751 7.952 -10.675 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.716 6.371 -10.688 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.205 8.636 -11.971 1.00 0.00 C ATOM 0 H ILE A 88 19.284 8.281 -8.061 1.00 0.00 H new ATOM 0 HA ILE A 88 19.923 5.607 -9.021 1.00 0.00 H new ATOM 0 HB ILE A 88 21.487 8.127 -9.431 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.030 7.175 -10.931 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.225 8.686 -10.065 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.111 6.920 -11.543 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.542 5.975 -10.098 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.095 5.548 -11.041 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.338 9.045 -12.490 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.899 9.442 -11.733 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.701 7.908 -12.612 1.00 0.00 H new ATOM 1403 N VAL A 89 21.935 5.052 -7.511 1.00 0.00 N ATOM 1404 CA VAL A 89 22.946 4.631 -6.548 1.00 0.00 C ATOM 1405 C VAL A 89 24.054 3.921 -7.336 1.00 0.00 C ATOM 1406 O VAL A 89 23.785 3.236 -8.325 1.00 0.00 O ATOM 1407 CB VAL A 89 22.292 3.745 -5.457 1.00 0.00 C ATOM 1408 CG1 VAL A 89 23.299 3.334 -4.372 1.00 0.00 C ATOM 1409 CG2 VAL A 89 21.106 4.442 -4.764 1.00 0.00 C ATOM 0 H VAL A 89 21.685 4.319 -8.175 1.00 0.00 H new ATOM 0 HA VAL A 89 23.390 5.473 -6.017 1.00 0.00 H new ATOM 0 HB VAL A 89 21.933 2.862 -5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 89 22.799 2.714 -3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 89 24.113 2.770 -4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 89 23.700 4.226 -3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 89 20.684 3.778 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.451 5.360 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.342 4.682 -5.504 1.00 0.00 H new ATOM 1419 N TYR A 90 25.306 4.107 -6.915 1.00 0.00 N ATOM 1420 CA TYR A 90 26.492 3.559 -7.578 1.00 0.00 C ATOM 1421 C TYR A 90 27.621 3.249 -6.576 1.00 0.00 C ATOM 1422 O TYR A 90 28.737 2.914 -6.984 1.00 0.00 O ATOM 1423 CB TYR A 90 26.950 4.540 -8.671 1.00 0.00 C ATOM 1424 CG TYR A 90 27.243 5.953 -8.190 1.00 0.00 C ATOM 1425 CD1 TYR A 90 28.520 6.289 -7.700 1.00 0.00 C ATOM 1426 CD2 TYR A 90 26.230 6.934 -8.228 1.00 0.00 C ATOM 1427 CE1 TYR A 90 28.785 7.593 -7.244 1.00 0.00 C ATOM 1428 CE2 TYR A 90 26.487 8.240 -7.773 1.00 0.00 C ATOM 1429 CZ TYR A 90 27.768 8.575 -7.276 1.00 0.00 C ATOM 1430 OH TYR A 90 28.038 9.836 -6.832 1.00 0.00 O ATOM 0 H TYR A 90 25.529 4.655 -6.084 1.00 0.00 H new ATOM 0 HA TYR A 90 26.232 2.606 -8.039 1.00 0.00 H new ATOM 0 HB2 TYR A 90 27.848 4.140 -9.143 1.00 0.00 H new ATOM 0 HB3 TYR A 90 26.180 4.587 -9.441 1.00 0.00 H new ATOM 0 HD1 TYR A 90 29.299 5.542 -7.674 1.00 0.00 H new ATOM 0 HD2 TYR A 90 25.252 6.681 -8.609 1.00 0.00 H new ATOM 0 HE1 TYR A 90 29.766 7.844 -6.869 1.00 0.00 H new ATOM 0 HE2 TYR A 90 25.707 8.986 -7.803 1.00 0.00 H new ATOM 0 HH TYR A 90 27.236 10.393 -6.921 1.00 0.00 H new ATOM 1440 N SER A 91 27.346 3.380 -5.274 1.00 0.00 N ATOM 1441 CA SER A 91 28.280 3.140 -4.182 1.00 0.00 C ATOM 1442 C SER A 91 28.889 1.738 -4.282 1.00 0.00 C ATOM 1443 O SER A 91 28.136 0.761 -4.493 1.00 0.00 O ATOM 1444 CB SER A 91 27.551 3.342 -2.847 1.00 0.00 C ATOM 1445 OG SER A 91 26.776 4.537 -2.875 1.00 0.00 O ATOM 1446 OXT SER A 91 30.122 1.611 -4.139 1.00 0.00 O ATOM 0 H SER A 91 26.425 3.669 -4.944 1.00 0.00 H new ATOM 0 HA SER A 91 29.105 3.850 -4.245 1.00 0.00 H new ATOM 0 HB2 SER A 91 26.905 2.488 -2.646 1.00 0.00 H new ATOM 0 HB3 SER A 91 28.276 3.391 -2.034 1.00 0.00 H new ATOM 0 HG SER A 91 26.317 4.649 -2.017 1.00 0.00 H new TER 1452 SER A 91