USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 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 67 THR OG1 : rot 180:sc= 0.111 USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.752 X(o=-0.64,f=-0.32) USER MOD Set 2.1: A 48 CYS SG : rot -62:sc=0.000298 USER MOD Set 2.2: A 54 SER OG : rot 39:sc= 1.91 USER MOD Set 2.3: A 71 ASN : amide:sc= 1.23 K(o=3.1,f=1.6) USER MOD Single : A 1 ALA N :NH3+ 172:sc= 1.23 (180deg=1.17) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 13 TYR OH : rot 11:sc= 1.02 USER MOD Single : A 14 GLN : amide:sc= 0.75 K(o=0.75,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.284 X(o=0.28,f=-0.1) USER MOD Single : A 17 HIS : no HE2:sc= 0.989 K(o=0.99,f=-3.3!) USER MOD Single : A 19 GLN : amide:sc= -0.539 X(o=-0.54,f=-0.54) USER MOD Single : A 23 ASN : amide:sc= -0.0622 K(o=-0.062,f=-5.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 1.22 (180deg=1.2) USER MOD Single : A 41 ASN : amide:sc= 1.21 K(o=1.2,f=-0.018) USER MOD Single : A 43 THR OG1 : rot 92:sc= 1.11 USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= 1.24 (180deg=1.14) USER MOD Single : A 47 TYR OH : rot 30:sc= 0.535 USER MOD Single : A 49 ASN : amide:sc= -1.5! K(o=-1.5!,f=-0.23) USER MOD Single : A 53 GLN : amide:sc= -0.392 K(o=-0.39,f=-3.1!) USER MOD Single : A 56 GLN : amide:sc= 0.888 K(o=0.89,f=-0.029) USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= 1.35 (180deg=1.12) USER MOD Single : A 62 SER OG : rot 93:sc= 1.25 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 170:sc= 1.07 USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= 1.31 (180deg=1.3) USER MOD Single : A 80 MET CE :methyl -175:sc= 0 (180deg=-0.0215) USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 1.88 (180deg=1.85) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.535 0.353 -2.308 1.00 0.00 N ATOM 2 CA ALA A 1 3.093 0.036 -2.265 1.00 0.00 C ATOM 3 C ALA A 1 2.453 0.421 -3.607 1.00 0.00 C ATOM 4 O ALA A 1 3.157 0.570 -4.611 1.00 0.00 O ATOM 5 CB ALA A 1 2.419 0.726 -1.061 1.00 0.00 C ATOM 0 H1 ALA A 1 4.947 0.223 -1.362 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.010 -0.280 -2.983 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.665 1.340 -2.609 1.00 0.00 H new ATOM 0 HA ALA A 1 2.949 -1.035 -2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.357 0.480 -1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.883 0.381 -0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.540 1.806 -1.146 1.00 0.00 H new ATOM 13 N GLU A 2 1.126 0.566 -3.659 1.00 0.00 N ATOM 14 CA GLU A 2 0.392 1.128 -4.786 1.00 0.00 C ATOM 15 C GLU A 2 -0.861 1.823 -4.240 1.00 0.00 C ATOM 16 O GLU A 2 -1.271 1.546 -3.107 1.00 0.00 O ATOM 17 CB GLU A 2 0.051 0.036 -5.821 1.00 0.00 C ATOM 18 CG GLU A 2 -0.971 -1.005 -5.338 1.00 0.00 C ATOM 19 CD GLU A 2 -1.129 -2.150 -6.352 1.00 0.00 C ATOM 20 OE1 GLU A 2 -1.682 -1.920 -7.451 1.00 0.00 O ATOM 21 OE2 GLU A 2 -0.711 -3.293 -6.055 1.00 0.00 O ATOM 0 H GLU A 2 0.517 0.285 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 2 1.004 1.861 -5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.335 0.515 -6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.969 -0.479 -6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.654 -1.410 -4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.936 -0.523 -5.178 1.00 0.00 H new ATOM 28 N HIS A 3 -1.482 2.693 -5.042 1.00 0.00 N ATOM 29 CA HIS A 3 -2.705 3.409 -4.691 1.00 0.00 C ATOM 30 C HIS A 3 -3.555 3.585 -5.948 1.00 0.00 C ATOM 31 O HIS A 3 -3.015 3.881 -7.020 1.00 0.00 O ATOM 32 CB HIS A 3 -2.365 4.794 -4.109 1.00 0.00 C ATOM 33 CG HIS A 3 -1.721 4.758 -2.745 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.373 4.610 -1.538 1.00 0.00 N ATOM 35 CD2 HIS A 3 -0.384 4.881 -2.468 1.00 0.00 C ATOM 36 CE1 HIS A 3 -1.451 4.639 -0.561 1.00 0.00 C ATOM 37 NE2 HIS A 3 -0.218 4.805 -1.077 1.00 0.00 N ATOM 0 H HIS A 3 -1.138 2.922 -5.974 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.253 2.837 -3.943 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.697 5.310 -4.799 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.280 5.384 -4.050 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.404 5.013 -3.194 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.669 4.543 0.492 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.660 4.864 -0.561 1.00 0.00 H new ATOM 45 N TRP A 4 -4.874 3.433 -5.803 1.00 0.00 N ATOM 46 CA TRP A 4 -5.850 3.790 -6.823 1.00 0.00 C ATOM 47 C TRP A 4 -6.049 5.297 -6.722 1.00 0.00 C ATOM 48 O TRP A 4 -6.719 5.766 -5.797 1.00 0.00 O ATOM 49 CB TRP A 4 -7.172 3.033 -6.605 1.00 0.00 C ATOM 50 CG TRP A 4 -7.076 1.558 -6.850 1.00 0.00 C ATOM 51 CD1 TRP A 4 -6.821 0.611 -5.919 1.00 0.00 C ATOM 52 CD2 TRP A 4 -7.183 0.843 -8.118 1.00 0.00 C ATOM 53 NE1 TRP A 4 -6.747 -0.629 -6.520 1.00 0.00 N ATOM 54 CE2 TRP A 4 -6.952 -0.546 -7.881 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.442 1.232 -9.449 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -6.959 -1.495 -8.915 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.467 0.287 -10.491 1.00 0.00 C ATOM 58 CH2 TRP A 4 -7.220 -1.072 -10.229 1.00 0.00 C ATOM 0 H TRP A 4 -5.296 3.051 -4.956 1.00 0.00 H new ATOM 0 HA TRP A 4 -5.500 3.514 -7.818 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -7.510 3.200 -5.582 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.932 3.452 -7.265 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -6.694 0.797 -4.863 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -6.563 -1.499 -6.020 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.624 2.273 -9.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.766 -2.536 -8.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.678 0.608 -11.500 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.231 -1.789 -11.036 1.00 0.00 H new ATOM 69 N ILE A 5 -5.448 6.048 -7.643 1.00 0.00 N ATOM 70 CA ILE A 5 -5.550 7.498 -7.697 1.00 0.00 C ATOM 71 C ILE A 5 -6.343 7.793 -8.962 1.00 0.00 C ATOM 72 O ILE A 5 -5.799 7.802 -10.067 1.00 0.00 O ATOM 73 CB ILE A 5 -4.161 8.183 -7.627 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.461 7.816 -6.294 1.00 0.00 C ATOM 75 CG2 ILE A 5 -4.306 9.709 -7.770 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.200 8.614 -5.944 1.00 0.00 C ATOM 0 H ILE A 5 -4.867 5.655 -8.384 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.064 7.915 -6.831 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.545 7.826 -8.453 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.180 7.941 -5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.198 6.759 -6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.322 10.174 -7.719 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.768 9.942 -8.729 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.931 10.092 -6.963 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.802 8.266 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.451 8.472 -6.723 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.449 9.673 -5.869 1.00 0.00 H new ATOM 88 N ASP A 6 -7.654 7.954 -8.805 1.00 0.00 N ATOM 89 CA ASP A 6 -8.477 8.480 -9.881 1.00 0.00 C ATOM 90 C ASP A 6 -8.047 9.937 -10.124 1.00 0.00 C ATOM 91 O ASP A 6 -7.485 10.589 -9.230 1.00 0.00 O ATOM 92 CB ASP A 6 -9.965 8.342 -9.539 1.00 0.00 C ATOM 93 CG ASP A 6 -10.852 8.369 -10.792 1.00 0.00 C ATOM 94 OD1 ASP A 6 -10.779 9.316 -11.598 1.00 0.00 O ATOM 95 OD2 ASP A 6 -11.719 7.484 -10.954 1.00 0.00 O ATOM 0 H ASP A 6 -8.162 7.729 -7.950 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.334 7.914 -10.802 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.127 7.408 -9.001 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.259 9.151 -8.870 1.00 0.00 H new ATOM 100 N VAL A 7 -8.292 10.453 -11.324 1.00 0.00 N ATOM 101 CA VAL A 7 -7.932 11.810 -11.726 1.00 0.00 C ATOM 102 C VAL A 7 -9.063 12.486 -12.527 1.00 0.00 C ATOM 103 O VAL A 7 -8.837 13.493 -13.205 1.00 0.00 O ATOM 104 CB VAL A 7 -6.567 11.801 -12.451 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.388 11.365 -11.561 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.573 10.874 -13.670 1.00 0.00 C ATOM 0 H VAL A 7 -8.758 9.927 -12.063 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.811 12.429 -10.837 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.424 12.840 -12.747 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.466 11.385 -12.143 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.298 12.047 -10.716 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.564 10.354 -11.194 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.595 10.898 -14.150 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.796 9.856 -13.352 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.332 11.208 -14.377 1.00 0.00 H new ATOM 116 N ARG A 8 -10.284 11.943 -12.474 1.00 0.00 N ATOM 117 CA ARG A 8 -11.493 12.547 -13.034 1.00 0.00 C ATOM 118 C ARG A 8 -11.721 13.957 -12.500 1.00 0.00 C ATOM 119 O ARG A 8 -11.255 14.306 -11.409 1.00 0.00 O ATOM 120 CB ARG A 8 -12.710 11.658 -12.726 1.00 0.00 C ATOM 121 CG ARG A 8 -12.995 11.554 -11.215 1.00 0.00 C ATOM 122 CD ARG A 8 -14.142 10.613 -10.895 1.00 0.00 C ATOM 123 NE ARG A 8 -13.859 9.233 -11.261 1.00 0.00 N ATOM 124 CZ ARG A 8 -14.764 8.263 -11.368 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.064 8.503 -11.230 1.00 0.00 N ATOM 126 NH2 ARG A 8 -14.342 7.032 -11.597 1.00 0.00 N ATOM 0 H ARG A 8 -10.461 11.044 -12.026 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.361 12.623 -14.113 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.588 12.061 -13.232 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.539 10.660 -13.130 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -12.096 11.210 -10.703 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -13.225 12.545 -10.824 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.360 10.664 -9.828 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.037 10.947 -11.420 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.887 8.989 -11.451 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.390 9.450 -11.037 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.736 7.740 -11.317 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.344 6.844 -11.687 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.015 6.270 -11.683 1.00 0.00 H new ATOM 140 N VAL A 9 -12.519 14.737 -13.231 1.00 0.00 N ATOM 141 CA VAL A 9 -13.005 16.029 -12.756 1.00 0.00 C ATOM 142 C VAL A 9 -13.696 15.834 -11.386 1.00 0.00 C ATOM 143 O VAL A 9 -14.331 14.796 -11.172 1.00 0.00 O ATOM 144 CB VAL A 9 -13.894 16.704 -13.824 1.00 0.00 C ATOM 145 CG1 VAL A 9 -13.062 17.062 -15.065 1.00 0.00 C ATOM 146 CG2 VAL A 9 -15.092 15.848 -14.256 1.00 0.00 C ATOM 0 H VAL A 9 -12.844 14.490 -14.166 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.176 16.719 -12.599 1.00 0.00 H new ATOM 0 HB VAL A 9 -14.291 17.604 -13.354 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.703 17.537 -15.808 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.264 17.748 -14.782 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.628 16.155 -15.486 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.671 16.385 -15.007 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.735 14.908 -14.677 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.723 15.642 -13.391 1.00 0.00 H new ATOM 156 N PRO A 10 -13.616 16.801 -10.454 1.00 0.00 N ATOM 157 CA PRO A 10 -13.990 16.583 -9.056 1.00 0.00 C ATOM 158 C PRO A 10 -15.445 16.155 -8.861 1.00 0.00 C ATOM 159 O PRO A 10 -15.723 15.283 -8.037 1.00 0.00 O ATOM 160 CB PRO A 10 -13.668 17.893 -8.327 1.00 0.00 C ATOM 161 CG PRO A 10 -13.628 18.941 -9.439 1.00 0.00 C ATOM 162 CD PRO A 10 -13.127 18.158 -10.648 1.00 0.00 C ATOM 0 HA PRO A 10 -13.426 15.744 -8.647 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.427 18.131 -7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.715 17.833 -7.802 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.613 19.372 -9.620 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.960 19.765 -9.190 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.506 18.584 -11.577 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.039 18.180 -10.708 1.00 0.00 H new ATOM 170 N GLU A 11 -16.376 16.704 -9.644 1.00 0.00 N ATOM 171 CA GLU A 11 -17.798 16.387 -9.521 1.00 0.00 C ATOM 172 C GLU A 11 -18.111 14.929 -9.865 1.00 0.00 C ATOM 173 O GLU A 11 -19.179 14.437 -9.492 1.00 0.00 O ATOM 174 CB GLU A 11 -18.620 17.310 -10.426 1.00 0.00 C ATOM 175 CG GLU A 11 -18.759 18.718 -9.833 1.00 0.00 C ATOM 176 CD GLU A 11 -19.605 19.630 -10.739 1.00 0.00 C ATOM 177 OE1 GLU A 11 -20.844 19.689 -10.568 1.00 0.00 O ATOM 178 OE2 GLU A 11 -19.040 20.316 -11.622 1.00 0.00 O ATOM 0 H GLU A 11 -16.165 17.379 -10.379 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.067 16.542 -8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.146 17.374 -11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.610 16.881 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.219 18.655 -8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.770 19.156 -9.696 1.00 0.00 H new ATOM 185 N GLN A 12 -17.211 14.222 -10.555 1.00 0.00 N ATOM 186 CA GLN A 12 -17.405 12.824 -10.902 1.00 0.00 C ATOM 187 C GLN A 12 -16.880 11.906 -9.793 1.00 0.00 C ATOM 188 O GLN A 12 -17.161 10.712 -9.836 1.00 0.00 O ATOM 189 CB GLN A 12 -16.790 12.529 -12.282 1.00 0.00 C ATOM 190 CG GLN A 12 -17.565 13.204 -13.424 1.00 0.00 C ATOM 191 CD GLN A 12 -16.960 12.932 -14.807 1.00 0.00 C ATOM 192 OE1 GLN A 12 -15.872 12.378 -14.951 1.00 0.00 O ATOM 193 NE2 GLN A 12 -17.651 13.324 -15.865 1.00 0.00 N ATOM 0 H GLN A 12 -16.328 14.610 -10.886 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.472 12.615 -10.982 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.755 12.871 -12.296 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.772 11.452 -12.446 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.597 12.854 -13.411 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.591 14.280 -13.251 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.553 13.783 -15.743 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.281 13.167 -16.803 1.00 0.00 H new ATOM 202 N TYR A 13 -16.149 12.404 -8.786 1.00 0.00 N ATOM 203 CA TYR A 13 -15.780 11.596 -7.614 1.00 0.00 C ATOM 204 C TYR A 13 -16.997 11.354 -6.708 1.00 0.00 C ATOM 205 O TYR A 13 -17.036 10.380 -5.959 1.00 0.00 O ATOM 206 CB TYR A 13 -14.630 12.271 -6.857 1.00 0.00 C ATOM 207 CG TYR A 13 -14.009 11.489 -5.703 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.634 10.133 -5.845 1.00 0.00 C ATOM 209 CD2 TYR A 13 -13.715 12.162 -4.499 1.00 0.00 C ATOM 210 CE1 TYR A 13 -12.941 9.479 -4.812 1.00 0.00 C ATOM 211 CE2 TYR A 13 -13.050 11.499 -3.451 1.00 0.00 C ATOM 212 CZ TYR A 13 -12.653 10.152 -3.606 1.00 0.00 C ATOM 213 OH TYR A 13 -11.989 9.516 -2.603 1.00 0.00 O ATOM 0 H TYR A 13 -15.801 13.363 -8.759 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.436 10.618 -7.951 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.842 12.501 -7.573 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.993 13.221 -6.466 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.881 9.598 -6.750 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.003 13.196 -4.380 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -12.627 8.454 -4.942 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -12.843 12.020 -2.528 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.631 8.666 -2.935 1.00 0.00 H new ATOM 223 N GLN A 14 -18.032 12.194 -6.831 1.00 0.00 N ATOM 224 CA GLN A 14 -19.340 11.967 -6.219 1.00 0.00 C ATOM 225 C GLN A 14 -20.048 10.754 -6.851 1.00 0.00 C ATOM 226 O GLN A 14 -21.062 10.292 -6.326 1.00 0.00 O ATOM 227 CB GLN A 14 -20.232 13.206 -6.426 1.00 0.00 C ATOM 228 CG GLN A 14 -19.610 14.541 -5.982 1.00 0.00 C ATOM 229 CD GLN A 14 -20.536 15.715 -6.306 1.00 0.00 C ATOM 230 OE1 GLN A 14 -21.055 16.387 -5.417 1.00 0.00 O ATOM 231 NE2 GLN A 14 -20.770 15.985 -7.582 1.00 0.00 N ATOM 0 H GLN A 14 -17.980 13.061 -7.366 1.00 0.00 H new ATOM 0 HA GLN A 14 -19.181 11.778 -5.157 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -20.489 13.277 -7.483 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -21.164 13.058 -5.881 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -19.412 14.515 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -18.651 14.682 -6.480 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -20.334 15.421 -8.311 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -21.386 16.757 -7.835 1.00 0.00 H new ATOM 240 N GLN A 15 -19.544 10.253 -7.982 1.00 0.00 N ATOM 241 CA GLN A 15 -20.202 9.291 -8.852 1.00 0.00 C ATOM 242 C GLN A 15 -19.392 7.981 -8.836 1.00 0.00 C ATOM 243 O GLN A 15 -18.494 7.820 -8.007 1.00 0.00 O ATOM 244 CB GLN A 15 -20.382 9.935 -10.250 1.00 0.00 C ATOM 245 CG GLN A 15 -20.966 11.372 -10.198 1.00 0.00 C ATOM 246 CD GLN A 15 -21.209 12.000 -11.572 1.00 0.00 C ATOM 247 OE1 GLN A 15 -21.657 11.354 -12.516 1.00 0.00 O ATOM 248 NE2 GLN A 15 -20.917 13.286 -11.710 1.00 0.00 N ATOM 0 H GLN A 15 -18.623 10.524 -8.327 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.203 9.028 -8.511 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -19.417 9.961 -10.756 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.039 9.305 -10.850 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -21.908 11.350 -9.649 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -20.284 12.009 -9.635 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.546 13.812 -10.919 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -21.064 13.749 -12.607 1.00 0.00 H new ATOM 257 N GLU A 16 -19.744 7.017 -9.691 1.00 0.00 N ATOM 258 CA GLU A 16 -19.219 5.649 -9.652 1.00 0.00 C ATOM 259 C GLU A 16 -17.689 5.633 -9.791 1.00 0.00 C ATOM 260 O GLU A 16 -17.163 6.050 -10.823 1.00 0.00 O ATOM 261 CB GLU A 16 -19.916 4.829 -10.749 1.00 0.00 C ATOM 262 CG GLU A 16 -19.518 3.347 -10.729 1.00 0.00 C ATOM 263 CD GLU A 16 -20.279 2.548 -11.800 1.00 0.00 C ATOM 264 OE1 GLU A 16 -19.898 2.610 -12.990 1.00 0.00 O ATOM 265 OE2 GLU A 16 -21.261 1.851 -11.458 1.00 0.00 O ATOM 0 H GLU A 16 -20.415 7.168 -10.444 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.433 5.196 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.996 4.912 -10.627 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.672 5.253 -11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.445 3.254 -10.898 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.724 2.927 -9.745 1.00 0.00 H new ATOM 272 N HIS A 17 -16.964 5.151 -8.780 1.00 0.00 N ATOM 273 CA HIS A 17 -15.504 5.052 -8.775 1.00 0.00 C ATOM 274 C HIS A 17 -15.078 3.829 -7.955 1.00 0.00 C ATOM 275 O HIS A 17 -15.875 3.304 -7.179 1.00 0.00 O ATOM 276 CB HIS A 17 -14.886 6.352 -8.234 1.00 0.00 C ATOM 277 CG HIS A 17 -15.177 6.623 -6.781 1.00 0.00 C ATOM 278 ND1 HIS A 17 -16.351 7.122 -6.268 1.00 0.00 N ATOM 279 CD2 HIS A 17 -14.308 6.470 -5.736 1.00 0.00 C ATOM 280 CE1 HIS A 17 -16.196 7.264 -4.943 1.00 0.00 C ATOM 281 NE2 HIS A 17 -14.967 6.866 -4.563 1.00 0.00 N ATOM 0 H HIS A 17 -17.389 4.809 -7.918 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.138 4.919 -9.793 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.806 6.312 -8.374 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -15.254 7.189 -8.828 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -17.192 7.345 -6.801 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.293 6.108 -5.802 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.953 7.645 -4.273 1.00 0.00 H new ATOM 289 N VAL A 18 -13.848 3.346 -8.145 1.00 0.00 N ATOM 290 CA VAL A 18 -13.341 2.134 -7.503 1.00 0.00 C ATOM 291 C VAL A 18 -13.391 2.299 -5.980 1.00 0.00 C ATOM 292 O VAL A 18 -13.068 3.364 -5.443 1.00 0.00 O ATOM 293 CB VAL A 18 -11.926 1.799 -8.029 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.263 0.633 -7.282 1.00 0.00 C ATOM 295 CG2 VAL A 18 -11.979 1.437 -9.524 1.00 0.00 C ATOM 0 H VAL A 18 -13.167 3.794 -8.759 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.974 1.284 -7.756 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.329 2.696 -7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.273 0.449 -7.700 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.170 0.884 -6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.874 -0.263 -7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.975 1.204 -9.878 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.624 0.570 -9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.376 2.281 -10.089 1.00 0.00 H new ATOM 305 N GLN A 19 -13.792 1.224 -5.295 1.00 0.00 N ATOM 306 CA GLN A 19 -13.912 1.156 -3.846 1.00 0.00 C ATOM 307 C GLN A 19 -12.616 1.645 -3.186 1.00 0.00 C ATOM 308 O GLN A 19 -11.546 1.074 -3.405 1.00 0.00 O ATOM 309 CB GLN A 19 -14.303 -0.283 -3.456 1.00 0.00 C ATOM 310 CG GLN A 19 -14.670 -0.475 -1.973 1.00 0.00 C ATOM 311 CD GLN A 19 -13.461 -0.530 -1.033 1.00 0.00 C ATOM 312 OE1 GLN A 19 -12.555 -1.343 -1.198 1.00 0.00 O ATOM 313 NE2 GLN A 19 -13.416 0.325 -0.023 1.00 0.00 N ATOM 0 H GLN A 19 -14.049 0.351 -5.755 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.697 1.819 -3.482 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.150 -0.592 -4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.474 -0.948 -3.699 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.322 0.341 -1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.241 -1.397 -1.867 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.171 0.998 0.109 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.626 0.311 0.623 1.00 0.00 H new ATOM 322 N GLY A 20 -12.724 2.701 -2.373 1.00 0.00 N ATOM 323 CA GLY A 20 -11.638 3.206 -1.541 1.00 0.00 C ATOM 324 C GLY A 20 -10.580 4.015 -2.298 1.00 0.00 C ATOM 325 O GLY A 20 -9.581 4.400 -1.687 1.00 0.00 O ATOM 0 H GLY A 20 -13.587 3.236 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.061 3.831 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.151 2.363 -1.051 1.00 0.00 H new ATOM 329 N ALA A 21 -10.755 4.273 -3.600 1.00 0.00 N ATOM 330 CA ALA A 21 -9.827 5.102 -4.362 1.00 0.00 C ATOM 331 C ALA A 21 -9.886 6.559 -3.885 1.00 0.00 C ATOM 332 O ALA A 21 -10.935 7.039 -3.443 1.00 0.00 O ATOM 333 CB ALA A 21 -10.165 5.019 -5.853 1.00 0.00 C ATOM 0 H ALA A 21 -11.538 3.914 -4.146 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.814 4.732 -4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.470 5.639 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.083 3.985 -6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.183 5.374 -6.016 1.00 0.00 H new ATOM 339 N ILE A 22 -8.768 7.273 -4.021 1.00 0.00 N ATOM 340 CA ILE A 22 -8.712 8.725 -3.857 1.00 0.00 C ATOM 341 C ILE A 22 -8.964 9.336 -5.244 1.00 0.00 C ATOM 342 O ILE A 22 -8.750 8.667 -6.259 1.00 0.00 O ATOM 343 CB ILE A 22 -7.364 9.131 -3.201 1.00 0.00 C ATOM 344 CG1 ILE A 22 -7.291 10.639 -2.878 1.00 0.00 C ATOM 345 CG2 ILE A 22 -6.151 8.732 -4.051 1.00 0.00 C ATOM 346 CD1 ILE A 22 -6.097 11.016 -1.988 1.00 0.00 C ATOM 0 H ILE A 22 -7.867 6.854 -4.251 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.474 9.107 -3.178 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.328 8.575 -2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.231 11.200 -3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.214 10.942 -2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.236 9.040 -3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.143 7.651 -4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.211 9.222 -5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.107 12.090 -1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.167 10.482 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.169 10.744 -2.490 1.00 0.00 H new ATOM 358 N ASN A 23 -9.374 10.605 -5.311 1.00 0.00 N ATOM 359 CA ASN A 23 -9.440 11.351 -6.562 1.00 0.00 C ATOM 360 C ASN A 23 -8.651 12.634 -6.423 1.00 0.00 C ATOM 361 O ASN A 23 -8.805 13.355 -5.434 1.00 0.00 O ATOM 362 CB ASN A 23 -10.866 11.641 -6.995 1.00 0.00 C ATOM 363 CG ASN A 23 -10.803 12.320 -8.352 1.00 0.00 C ATOM 364 OD1 ASN A 23 -10.248 11.793 -9.300 1.00 0.00 O ATOM 365 ND2 ASN A 23 -11.297 13.526 -8.475 1.00 0.00 N ATOM 0 H ASN A 23 -9.669 11.142 -4.495 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.002 10.730 -7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.444 10.718 -7.055 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.364 12.283 -6.268 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.217 14.022 -9.363 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.762 13.970 -7.683 1.00 0.00 H new ATOM 372 N ILE A 24 -7.818 12.917 -7.419 1.00 0.00 N ATOM 373 CA ILE A 24 -6.982 14.101 -7.484 1.00 0.00 C ATOM 374 C ILE A 24 -7.115 14.585 -8.938 1.00 0.00 C ATOM 375 O ILE A 24 -6.380 14.098 -9.795 1.00 0.00 O ATOM 376 CB ILE A 24 -5.523 13.798 -7.044 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.420 12.879 -5.802 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.828 15.136 -6.746 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.979 12.570 -5.383 1.00 0.00 C ATOM 0 H ILE A 24 -7.706 12.306 -8.228 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.292 14.883 -6.791 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.042 13.258 -7.860 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.938 13.351 -4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.937 11.942 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.800 14.951 -6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.829 15.754 -7.644 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.361 15.653 -5.948 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.986 11.922 -4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.462 12.069 -6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.463 13.499 -5.143 1.00 0.00 H new ATOM 391 N PRO A 25 -8.109 15.439 -9.257 1.00 0.00 N ATOM 392 CA PRO A 25 -8.458 15.775 -10.634 1.00 0.00 C ATOM 393 C PRO A 25 -7.265 16.214 -11.469 1.00 0.00 C ATOM 394 O PRO A 25 -6.427 16.960 -10.973 1.00 0.00 O ATOM 395 CB PRO A 25 -9.472 16.917 -10.548 1.00 0.00 C ATOM 396 CG PRO A 25 -10.102 16.752 -9.169 1.00 0.00 C ATOM 397 CD PRO A 25 -8.991 16.128 -8.327 1.00 0.00 C ATOM 0 HA PRO A 25 -8.855 14.889 -11.130 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.988 17.888 -10.652 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.219 16.847 -11.339 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.423 17.710 -8.760 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.982 16.110 -9.207 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.448 16.893 -7.771 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.402 15.433 -7.595 1.00 0.00 H new ATOM 405 N LEU A 26 -7.233 15.872 -12.760 1.00 0.00 N ATOM 406 CA LEU A 26 -6.189 16.313 -13.692 1.00 0.00 C ATOM 407 C LEU A 26 -5.993 17.841 -13.680 1.00 0.00 C ATOM 408 O LEU A 26 -4.874 18.319 -13.851 1.00 0.00 O ATOM 409 CB LEU A 26 -6.538 15.796 -15.100 1.00 0.00 C ATOM 410 CG LEU A 26 -5.574 16.245 -16.218 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.169 15.655 -16.033 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.135 15.806 -17.572 1.00 0.00 C ATOM 0 H LEU A 26 -7.938 15.275 -13.193 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.235 15.894 -13.373 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.559 14.706 -15.075 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.544 16.129 -15.354 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.488 17.331 -16.173 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.522 15.996 -16.841 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.760 15.983 -15.077 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.226 14.567 -16.049 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.458 16.121 -18.366 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.235 14.721 -17.590 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.112 16.263 -17.726 1.00 0.00 H new ATOM 424 N LYS A 27 -7.059 18.614 -13.439 1.00 0.00 N ATOM 425 CA LYS A 27 -6.994 20.076 -13.350 1.00 0.00 C ATOM 426 C LYS A 27 -6.223 20.572 -12.115 1.00 0.00 C ATOM 427 O LYS A 27 -5.855 21.745 -12.069 1.00 0.00 O ATOM 428 CB LYS A 27 -8.420 20.663 -13.346 1.00 0.00 C ATOM 429 CG LYS A 27 -9.293 20.278 -14.558 1.00 0.00 C ATOM 430 CD LYS A 27 -8.705 20.631 -15.935 1.00 0.00 C ATOM 431 CE LYS A 27 -8.456 22.140 -16.090 1.00 0.00 C ATOM 432 NZ LYS A 27 -7.952 22.491 -17.442 1.00 0.00 N ATOM 0 H LYS A 27 -7.997 18.239 -13.299 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.444 20.422 -14.225 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.926 20.339 -12.437 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.348 21.750 -13.301 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.477 19.204 -14.525 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.260 20.770 -14.458 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.768 20.093 -16.077 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.387 20.295 -16.716 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.383 22.681 -15.898 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.736 22.466 -15.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.799 23.518 -17.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.054 21.997 -17.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.650 22.204 -18.158 1.00 0.00 H new ATOM 446 N GLU A 28 -5.979 19.714 -11.122 1.00 0.00 N ATOM 447 CA GLU A 28 -5.463 20.074 -9.800 1.00 0.00 C ATOM 448 C GLU A 28 -4.281 19.180 -9.376 1.00 0.00 C ATOM 449 O GLU A 28 -3.557 19.522 -8.441 1.00 0.00 O ATOM 450 CB GLU A 28 -6.605 19.918 -8.770 1.00 0.00 C ATOM 451 CG GLU A 28 -7.901 20.702 -9.063 1.00 0.00 C ATOM 452 CD GLU A 28 -7.705 22.230 -9.151 1.00 0.00 C ATOM 453 OE1 GLU A 28 -6.932 22.810 -8.355 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.374 22.877 -9.988 1.00 0.00 O ATOM 0 H GLU A 28 -6.142 18.712 -11.221 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.103 21.102 -9.843 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.855 18.860 -8.694 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.231 20.228 -7.794 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.324 20.346 -10.002 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.630 20.484 -8.282 1.00 0.00 H new ATOM 461 N VAL A 29 -4.068 18.047 -10.055 1.00 0.00 N ATOM 462 CA VAL A 29 -3.183 16.959 -9.642 1.00 0.00 C ATOM 463 C VAL A 29 -1.777 17.412 -9.262 1.00 0.00 C ATOM 464 O VAL A 29 -1.278 16.986 -8.222 1.00 0.00 O ATOM 465 CB VAL A 29 -3.243 15.820 -10.689 1.00 0.00 C ATOM 466 CG1 VAL A 29 -2.650 16.210 -12.048 1.00 0.00 C ATOM 467 CG2 VAL A 29 -2.578 14.524 -10.211 1.00 0.00 C ATOM 0 H VAL A 29 -4.529 17.858 -10.945 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.552 16.553 -8.700 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.311 15.640 -10.815 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.725 15.366 -12.733 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.201 17.058 -12.455 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.602 16.484 -11.923 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.655 13.767 -10.991 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.527 14.714 -9.991 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.079 14.169 -9.310 1.00 0.00 H new ATOM 477 N LYS A 30 -1.149 18.312 -10.024 1.00 0.00 N ATOM 478 CA LYS A 30 0.238 18.708 -9.767 1.00 0.00 C ATOM 479 C LYS A 30 0.408 19.386 -8.401 1.00 0.00 C ATOM 480 O LYS A 30 1.516 19.394 -7.867 1.00 0.00 O ATOM 481 CB LYS A 30 0.765 19.611 -10.895 1.00 0.00 C ATOM 482 CG LYS A 30 0.760 18.902 -12.263 1.00 0.00 C ATOM 483 CD LYS A 30 1.395 19.743 -13.382 1.00 0.00 C ATOM 484 CE LYS A 30 2.910 19.923 -13.189 1.00 0.00 C ATOM 485 NZ LYS A 30 3.524 20.719 -14.282 1.00 0.00 N ATOM 0 H LYS A 30 -1.578 18.779 -10.823 1.00 0.00 H new ATOM 0 HA LYS A 30 0.832 17.794 -9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.153 20.511 -10.953 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.780 19.930 -10.658 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.297 17.957 -12.178 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.267 18.661 -12.537 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.208 19.265 -14.344 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.916 20.722 -13.414 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.097 20.415 -12.234 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.387 18.944 -13.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.545 20.815 -14.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.369 20.238 -15.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.088 21.663 -14.311 1.00 0.00 H new ATOM 499 N GLU A 31 -0.662 19.938 -7.823 1.00 0.00 N ATOM 500 CA GLU A 31 -0.624 20.626 -6.537 1.00 0.00 C ATOM 501 C GLU A 31 -0.720 19.645 -5.354 1.00 0.00 C ATOM 502 O GLU A 31 -0.367 20.010 -4.230 1.00 0.00 O ATOM 503 CB GLU A 31 -1.806 21.616 -6.497 1.00 0.00 C ATOM 504 CG GLU A 31 -1.672 22.750 -5.468 1.00 0.00 C ATOM 505 CD GLU A 31 -0.504 23.704 -5.785 1.00 0.00 C ATOM 506 OE1 GLU A 31 -0.675 24.632 -6.608 1.00 0.00 O ATOM 507 OE2 GLU A 31 0.591 23.553 -5.198 1.00 0.00 O ATOM 0 H GLU A 31 -1.591 19.917 -8.244 1.00 0.00 H new ATOM 0 HA GLU A 31 0.329 21.146 -6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.924 22.057 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.719 21.060 -6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.602 23.318 -5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.527 22.321 -4.477 1.00 0.00 H new ATOM 514 N ARG A 32 -1.183 18.406 -5.578 1.00 0.00 N ATOM 515 CA ARG A 32 -1.594 17.501 -4.494 1.00 0.00 C ATOM 516 C ARG A 32 -1.080 16.068 -4.648 1.00 0.00 C ATOM 517 O ARG A 32 -1.040 15.338 -3.658 1.00 0.00 O ATOM 518 CB ARG A 32 -3.131 17.597 -4.411 1.00 0.00 C ATOM 519 CG ARG A 32 -3.796 16.740 -3.324 1.00 0.00 C ATOM 520 CD ARG A 32 -5.283 17.107 -3.195 1.00 0.00 C ATOM 521 NE ARG A 32 -6.026 16.101 -2.409 1.00 0.00 N ATOM 522 CZ ARG A 32 -7.049 15.342 -2.834 1.00 0.00 C ATOM 523 NH1 ARG A 32 -7.558 15.491 -4.054 1.00 0.00 N ATOM 524 NH2 ARG A 32 -7.565 14.420 -2.030 1.00 0.00 N ATOM 0 H ARG A 32 -1.283 18.005 -6.510 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.137 17.811 -3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.403 18.639 -4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.547 17.312 -5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.695 15.683 -3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.292 16.894 -2.370 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.377 18.083 -2.719 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.725 17.192 -4.188 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.731 15.969 -1.442 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.171 16.192 -4.686 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.335 14.904 -4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.184 14.290 -1.093 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.342 13.842 -2.350 1.00 0.00 H new ATOM 538 N ILE A 33 -0.628 15.655 -5.833 1.00 0.00 N ATOM 539 CA ILE A 33 -0.078 14.317 -6.038 1.00 0.00 C ATOM 540 C ILE A 33 1.148 14.080 -5.148 1.00 0.00 C ATOM 541 O ILE A 33 1.311 12.977 -4.632 1.00 0.00 O ATOM 542 CB ILE A 33 0.183 14.067 -7.542 1.00 0.00 C ATOM 543 CG1 ILE A 33 0.541 12.596 -7.848 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.251 14.999 -8.156 1.00 0.00 C ATOM 545 CD1 ILE A 33 -0.600 11.611 -7.568 1.00 0.00 C ATOM 0 H ILE A 33 -0.633 16.235 -6.672 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.812 13.574 -5.726 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.769 14.303 -8.017 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.832 12.513 -8.895 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.409 12.311 -7.253 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.377 14.762 -9.212 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.932 16.036 -8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.199 14.858 -7.637 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.274 10.599 -7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.876 11.664 -6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.462 11.869 -8.183 1.00 0.00 H new ATOM 557 N ALA A 34 1.960 15.114 -4.891 1.00 0.00 N ATOM 558 CA ALA A 34 3.105 15.012 -3.992 1.00 0.00 C ATOM 559 C ALA A 34 2.676 14.646 -2.566 1.00 0.00 C ATOM 560 O ALA A 34 3.383 13.906 -1.884 1.00 0.00 O ATOM 561 CB ALA A 34 3.886 16.330 -4.001 1.00 0.00 C ATOM 0 H ALA A 34 1.838 16.040 -5.302 1.00 0.00 H new ATOM 0 HA ALA A 34 3.749 14.209 -4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.740 16.251 -3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.237 16.538 -5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.237 17.140 -3.669 1.00 0.00 H new ATOM 567 N THR A 35 1.522 15.138 -2.110 1.00 0.00 N ATOM 568 CA THR A 35 0.979 14.819 -0.797 1.00 0.00 C ATOM 569 C THR A 35 0.545 13.345 -0.761 1.00 0.00 C ATOM 570 O THR A 35 0.822 12.641 0.213 1.00 0.00 O ATOM 571 CB THR A 35 -0.197 15.773 -0.494 1.00 0.00 C ATOM 572 OG1 THR A 35 0.111 17.093 -0.920 1.00 0.00 O ATOM 573 CG2 THR A 35 -0.525 15.809 1.002 1.00 0.00 C ATOM 0 H THR A 35 0.936 15.775 -2.650 1.00 0.00 H new ATOM 0 HA THR A 35 1.737 14.957 -0.026 1.00 0.00 H new ATOM 0 HB THR A 35 -1.062 15.394 -1.038 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.645 17.685 -0.723 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.357 16.491 1.176 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.799 14.809 1.339 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.348 16.153 1.558 1.00 0.00 H new ATOM 581 N ALA A 36 -0.110 12.865 -1.827 1.00 0.00 N ATOM 582 CA ALA A 36 -0.611 11.496 -1.906 1.00 0.00 C ATOM 583 C ALA A 36 0.506 10.468 -2.134 1.00 0.00 C ATOM 584 O ALA A 36 0.370 9.322 -1.704 1.00 0.00 O ATOM 585 CB ALA A 36 -1.650 11.408 -3.026 1.00 0.00 C ATOM 0 H ALA A 36 -0.305 13.422 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.066 11.251 -0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.029 10.388 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.474 12.088 -2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.188 11.685 -3.974 1.00 0.00 H new ATOM 591 N VAL A 37 1.598 10.859 -2.796 1.00 0.00 N ATOM 592 CA VAL A 37 2.679 9.976 -3.227 1.00 0.00 C ATOM 593 C VAL A 37 3.997 10.686 -2.862 1.00 0.00 C ATOM 594 O VAL A 37 4.588 11.374 -3.701 1.00 0.00 O ATOM 595 CB VAL A 37 2.540 9.618 -4.730 1.00 0.00 C ATOM 596 CG1 VAL A 37 3.405 8.392 -5.057 1.00 0.00 C ATOM 597 CG2 VAL A 37 1.101 9.277 -5.153 1.00 0.00 C ATOM 0 H VAL A 37 1.757 11.833 -3.054 1.00 0.00 H new ATOM 0 HA VAL A 37 2.649 9.011 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 37 2.859 10.508 -5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.303 8.146 -6.114 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.449 8.614 -4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.078 7.545 -4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.081 9.037 -6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.747 8.419 -4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.453 10.133 -4.962 1.00 0.00 H new ATOM 607 N PRO A 38 4.442 10.586 -1.594 1.00 0.00 N ATOM 608 CA PRO A 38 5.538 11.392 -1.061 1.00 0.00 C ATOM 609 C PRO A 38 6.932 10.980 -1.556 1.00 0.00 C ATOM 610 O PRO A 38 7.903 11.673 -1.244 1.00 0.00 O ATOM 611 CB PRO A 38 5.417 11.274 0.464 1.00 0.00 C ATOM 612 CG PRO A 38 4.795 9.894 0.660 1.00 0.00 C ATOM 613 CD PRO A 38 3.846 9.786 -0.531 1.00 0.00 C ATOM 0 HA PRO A 38 5.448 12.420 -1.413 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.389 11.350 0.952 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.789 12.061 0.880 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.547 9.105 0.652 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.265 9.819 1.609 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.728 8.748 -0.843 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.854 10.156 -0.274 1.00 0.00 H new ATOM 621 N ASP A 39 7.067 9.886 -2.313 1.00 0.00 N ATOM 622 CA ASP A 39 8.341 9.446 -2.880 1.00 0.00 C ATOM 623 C ASP A 39 8.096 8.881 -4.276 1.00 0.00 C ATOM 624 O ASP A 39 7.128 8.148 -4.498 1.00 0.00 O ATOM 625 CB ASP A 39 9.002 8.398 -1.978 1.00 0.00 C ATOM 626 CG ASP A 39 10.371 8.001 -2.545 1.00 0.00 C ATOM 627 OD1 ASP A 39 10.405 7.187 -3.493 1.00 0.00 O ATOM 628 OD2 ASP A 39 11.404 8.507 -2.053 1.00 0.00 O ATOM 0 H ASP A 39 6.285 9.276 -2.550 1.00 0.00 H new ATOM 0 HA ASP A 39 9.019 10.297 -2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.119 8.796 -0.970 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.363 7.518 -1.901 1.00 0.00 H new ATOM 633 N LYS A 40 8.961 9.247 -5.226 1.00 0.00 N ATOM 634 CA LYS A 40 8.760 8.967 -6.645 1.00 0.00 C ATOM 635 C LYS A 40 8.792 7.476 -6.980 1.00 0.00 C ATOM 636 O LYS A 40 8.254 7.097 -8.021 1.00 0.00 O ATOM 637 CB LYS A 40 9.790 9.732 -7.493 1.00 0.00 C ATOM 638 CG LYS A 40 9.653 11.256 -7.337 1.00 0.00 C ATOM 639 CD LYS A 40 10.665 12.003 -8.218 1.00 0.00 C ATOM 640 CE LYS A 40 10.710 13.510 -7.916 1.00 0.00 C ATOM 641 NZ LYS A 40 9.445 14.211 -8.251 1.00 0.00 N ATOM 0 H LYS A 40 9.826 9.750 -5.027 1.00 0.00 H new ATOM 0 HA LYS A 40 7.756 9.314 -6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.795 9.428 -7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.666 9.463 -8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.641 11.561 -7.604 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.804 11.531 -6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.657 11.576 -8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.409 11.854 -9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.930 13.656 -6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.528 13.962 -8.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.586 15.238 -8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.165 13.975 -9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.697 13.911 -7.593 1.00 0.00 H new ATOM 655 N ASN A 41 9.416 6.631 -6.148 1.00 0.00 N ATOM 656 CA ASN A 41 9.513 5.200 -6.433 1.00 0.00 C ATOM 657 C ASN A 41 8.184 4.472 -6.198 1.00 0.00 C ATOM 658 O ASN A 41 8.021 3.353 -6.685 1.00 0.00 O ATOM 659 CB ASN A 41 10.656 4.524 -5.646 1.00 0.00 C ATOM 660 CG ASN A 41 10.188 3.771 -4.398 1.00 0.00 C ATOM 661 OD1 ASN A 41 10.079 2.548 -4.392 1.00 0.00 O ATOM 662 ND2 ASN A 41 9.905 4.479 -3.321 1.00 0.00 N ATOM 0 H ASN A 41 9.859 6.917 -5.275 1.00 0.00 H new ATOM 0 HA ASN A 41 9.751 5.119 -7.494 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.176 3.828 -6.305 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.379 5.284 -5.350 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.592 4.011 -2.471 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.000 5.494 -3.339 1.00 0.00 H new ATOM 669 N ASP A 42 7.255 5.051 -5.428 1.00 0.00 N ATOM 670 CA ASP A 42 6.021 4.358 -5.061 1.00 0.00 C ATOM 671 C ASP A 42 5.094 4.226 -6.273 1.00 0.00 C ATOM 672 O ASP A 42 5.044 5.120 -7.124 1.00 0.00 O ATOM 673 CB ASP A 42 5.308 5.078 -3.917 1.00 0.00 C ATOM 674 CG ASP A 42 4.154 4.231 -3.367 1.00 0.00 C ATOM 675 OD1 ASP A 42 4.367 3.017 -3.146 1.00 0.00 O ATOM 676 OD2 ASP A 42 3.065 4.788 -3.116 1.00 0.00 O ATOM 0 H ASP A 42 7.337 5.995 -5.050 1.00 0.00 H new ATOM 0 HA ASP A 42 6.286 3.358 -4.719 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.019 5.292 -3.119 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.925 6.036 -4.269 1.00 0.00 H new ATOM 681 N THR A 43 4.377 3.108 -6.371 1.00 0.00 N ATOM 682 CA THR A 43 3.565 2.792 -7.544 1.00 0.00 C ATOM 683 C THR A 43 2.262 3.600 -7.497 1.00 0.00 C ATOM 684 O THR A 43 1.751 3.898 -6.414 1.00 0.00 O ATOM 685 CB THR A 43 3.269 1.278 -7.614 1.00 0.00 C ATOM 686 OG1 THR A 43 4.319 0.502 -7.067 1.00 0.00 O ATOM 687 CG2 THR A 43 3.017 0.786 -9.043 1.00 0.00 C ATOM 0 H THR A 43 4.343 2.397 -5.641 1.00 0.00 H new ATOM 0 HA THR A 43 4.119 3.063 -8.443 1.00 0.00 H new ATOM 0 HB THR A 43 2.362 1.147 -7.023 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.147 0.343 -6.115 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.815 -0.285 -9.029 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.159 1.312 -9.463 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.897 0.981 -9.655 1.00 0.00 H new ATOM 695 N VAL A 44 1.668 3.888 -8.657 1.00 0.00 N ATOM 696 CA VAL A 44 0.361 4.528 -8.749 1.00 0.00 C ATOM 697 C VAL A 44 -0.420 3.832 -9.861 1.00 0.00 C ATOM 698 O VAL A 44 0.128 3.565 -10.933 1.00 0.00 O ATOM 699 CB VAL A 44 0.503 6.042 -9.026 1.00 0.00 C ATOM 700 CG1 VAL A 44 -0.851 6.740 -8.839 1.00 0.00 C ATOM 701 CG2 VAL A 44 1.532 6.751 -8.128 1.00 0.00 C ATOM 0 H VAL A 44 2.087 3.681 -9.564 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.173 4.433 -7.803 1.00 0.00 H new ATOM 0 HB VAL A 44 0.858 6.116 -10.054 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.741 7.806 -9.036 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.578 6.316 -9.532 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.197 6.594 -7.816 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.572 7.809 -8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.240 6.642 -7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.515 6.304 -8.278 1.00 0.00 H new ATOM 711 N LYS A 45 -1.705 3.572 -9.619 1.00 0.00 N ATOM 712 CA LYS A 45 -2.634 3.057 -10.614 1.00 0.00 C ATOM 713 C LYS A 45 -3.591 4.200 -10.906 1.00 0.00 C ATOM 714 O LYS A 45 -4.445 4.511 -10.071 1.00 0.00 O ATOM 715 CB LYS A 45 -3.354 1.805 -10.075 1.00 0.00 C ATOM 716 CG LYS A 45 -2.423 0.605 -9.825 1.00 0.00 C ATOM 717 CD LYS A 45 -1.801 0.037 -11.113 1.00 0.00 C ATOM 718 CE LYS A 45 -0.809 -1.108 -10.852 1.00 0.00 C ATOM 719 NZ LYS A 45 -1.421 -2.276 -10.172 1.00 0.00 N ATOM 0 H LYS A 45 -2.134 3.718 -8.705 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.135 2.737 -11.529 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.857 2.061 -9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.127 1.510 -10.784 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.625 0.909 -9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.984 -0.183 -9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.597 -0.322 -11.766 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.289 0.838 -11.646 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.382 -1.432 -11.801 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.014 -0.734 -10.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.905 -3.140 -10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.373 -2.143 -9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.415 -2.365 -10.463 1.00 0.00 H new ATOM 733 N VAL A 46 -3.406 4.865 -12.045 1.00 0.00 N ATOM 734 CA VAL A 46 -4.287 5.948 -12.457 1.00 0.00 C ATOM 735 C VAL A 46 -5.380 5.370 -13.347 1.00 0.00 C ATOM 736 O VAL A 46 -5.131 4.497 -14.182 1.00 0.00 O ATOM 737 CB VAL A 46 -3.520 7.129 -13.096 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.636 7.825 -12.051 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.650 6.753 -14.305 1.00 0.00 C ATOM 0 H VAL A 46 -2.649 4.669 -12.700 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.759 6.390 -11.579 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.298 7.797 -13.465 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.104 8.653 -12.518 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.260 8.205 -11.242 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.916 7.111 -11.650 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.151 7.644 -14.686 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.902 6.021 -14.001 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.278 6.327 -15.087 1.00 0.00 H new ATOM 749 N TYR A 47 -6.596 5.870 -13.191 1.00 0.00 N ATOM 750 CA TYR A 47 -7.745 5.583 -14.036 1.00 0.00 C ATOM 751 C TYR A 47 -8.679 6.793 -13.918 1.00 0.00 C ATOM 752 O TYR A 47 -8.413 7.699 -13.120 1.00 0.00 O ATOM 753 CB TYR A 47 -8.422 4.268 -13.611 1.00 0.00 C ATOM 754 CG TYR A 47 -9.249 4.353 -12.343 1.00 0.00 C ATOM 755 CD1 TYR A 47 -8.629 4.574 -11.097 1.00 0.00 C ATOM 756 CD2 TYR A 47 -10.652 4.268 -12.428 1.00 0.00 C ATOM 757 CE1 TYR A 47 -9.409 4.768 -9.946 1.00 0.00 C ATOM 758 CE2 TYR A 47 -11.436 4.440 -11.277 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.818 4.724 -10.039 1.00 0.00 C ATOM 760 OH TYR A 47 -11.593 4.971 -8.947 1.00 0.00 O ATOM 0 H TYR A 47 -6.819 6.518 -12.436 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.456 5.436 -15.077 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.064 3.929 -14.424 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.652 3.508 -13.475 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.551 4.594 -11.027 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.125 4.070 -13.379 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.934 4.950 -8.993 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.511 4.355 -11.338 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.128 5.594 -8.350 1.00 0.00 H new ATOM 770 N CYS A 48 -9.754 6.833 -14.702 1.00 0.00 N ATOM 771 CA CYS A 48 -10.827 7.803 -14.537 1.00 0.00 C ATOM 772 C CYS A 48 -12.069 7.296 -15.262 1.00 0.00 C ATOM 773 O CYS A 48 -12.052 6.212 -15.853 1.00 0.00 O ATOM 774 CB CYS A 48 -10.390 9.196 -15.031 1.00 0.00 C ATOM 775 SG CYS A 48 -9.886 9.114 -16.766 1.00 0.00 S ATOM 0 H CYS A 48 -9.903 6.186 -15.476 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.067 7.913 -13.479 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.210 9.904 -14.916 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.564 9.563 -14.422 1.00 0.00 H new ATOM 0 HG CYS A 48 -8.857 8.328 -16.882 1.00 0.00 H new ATOM 781 N ASN A 49 -13.129 8.109 -15.256 1.00 0.00 N ATOM 782 CA ASN A 49 -14.417 7.819 -15.884 1.00 0.00 C ATOM 783 C ASN A 49 -14.257 7.309 -17.323 1.00 0.00 C ATOM 784 O ASN A 49 -14.942 6.365 -17.709 1.00 0.00 O ATOM 785 CB ASN A 49 -15.284 9.094 -15.845 1.00 0.00 C ATOM 786 CG ASN A 49 -16.765 8.858 -16.158 1.00 0.00 C ATOM 787 OD1 ASN A 49 -17.637 9.372 -15.465 1.00 0.00 O ATOM 788 ND2 ASN A 49 -17.102 8.093 -17.184 1.00 0.00 N ATOM 0 H ASN A 49 -13.111 9.020 -14.797 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.905 7.019 -15.327 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.201 9.546 -14.857 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.884 9.814 -16.559 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.086 7.931 -17.398 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.378 7.665 -17.761 1.00 0.00 H new ATOM 795 N ALA A 50 -13.386 7.937 -18.117 1.00 0.00 N ATOM 796 CA ALA A 50 -13.268 7.702 -19.559 1.00 0.00 C ATOM 797 C ALA A 50 -11.815 7.467 -20.011 1.00 0.00 C ATOM 798 O ALA A 50 -11.509 7.606 -21.196 1.00 0.00 O ATOM 799 CB ALA A 50 -13.917 8.883 -20.298 1.00 0.00 C ATOM 0 H ALA A 50 -12.730 8.637 -17.769 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.792 6.779 -19.808 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.839 8.726 -21.374 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.968 8.955 -20.017 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.405 9.807 -20.028 1.00 0.00 H new ATOM 805 N GLY A 51 -10.901 7.156 -19.087 1.00 0.00 N ATOM 806 CA GLY A 51 -9.495 6.844 -19.363 1.00 0.00 C ATOM 807 C GLY A 51 -8.622 8.055 -19.724 1.00 0.00 C ATOM 808 O GLY A 51 -7.437 8.069 -19.385 1.00 0.00 O ATOM 0 H GLY A 51 -11.127 7.113 -18.093 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.068 6.355 -18.487 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.451 6.126 -20.182 1.00 0.00 H new ATOM 812 N ARG A 52 -9.171 9.092 -20.368 1.00 0.00 N ATOM 813 CA ARG A 52 -8.380 10.218 -20.879 1.00 0.00 C ATOM 814 C ARG A 52 -7.672 10.999 -19.796 1.00 0.00 C ATOM 815 O ARG A 52 -6.504 11.316 -20.000 1.00 0.00 O ATOM 816 CB ARG A 52 -9.226 11.149 -21.764 1.00 0.00 C ATOM 817 CG ARG A 52 -9.672 10.466 -23.069 1.00 0.00 C ATOM 818 CD ARG A 52 -10.513 11.394 -23.959 1.00 0.00 C ATOM 819 NE ARG A 52 -9.759 12.577 -24.420 1.00 0.00 N ATOM 820 CZ ARG A 52 -8.918 12.630 -25.463 1.00 0.00 C ATOM 821 NH1 ARG A 52 -8.684 11.551 -26.207 1.00 0.00 N ATOM 822 NH2 ARG A 52 -8.308 13.774 -25.757 1.00 0.00 N ATOM 0 H ARG A 52 -10.171 9.174 -20.549 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.599 9.771 -21.495 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.105 11.475 -21.208 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.650 12.043 -22.003 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.793 10.136 -23.622 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.251 9.574 -22.829 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.870 10.836 -24.824 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.393 11.722 -23.406 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.891 13.440 -23.892 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.147 10.669 -25.987 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.042 11.606 -26.997 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.481 14.604 -25.191 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.667 13.821 -26.549 1.00 0.00 H new ATOM 836 N GLN A 53 -8.312 11.304 -18.666 1.00 0.00 N ATOM 837 CA GLN A 53 -7.645 12.071 -17.612 1.00 0.00 C ATOM 838 C GLN A 53 -6.445 11.280 -17.088 1.00 0.00 C ATOM 839 O GLN A 53 -5.409 11.870 -16.798 1.00 0.00 O ATOM 840 CB GLN A 53 -8.567 12.477 -16.441 1.00 0.00 C ATOM 841 CG GLN A 53 -9.701 13.459 -16.772 1.00 0.00 C ATOM 842 CD GLN A 53 -10.936 12.749 -17.326 1.00 0.00 C ATOM 843 OE1 GLN A 53 -11.805 12.312 -16.578 1.00 0.00 O ATOM 844 NE2 GLN A 53 -11.035 12.599 -18.638 1.00 0.00 N ATOM 0 H GLN A 53 -9.274 11.037 -18.458 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.323 13.006 -18.070 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.010 11.572 -16.025 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.950 12.919 -15.658 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.974 14.012 -15.873 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.346 14.189 -17.500 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.306 12.967 -19.250 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.840 12.116 -19.037 1.00 0.00 H new ATOM 853 N SER A 54 -6.560 9.955 -16.998 1.00 0.00 N ATOM 854 CA SER A 54 -5.498 9.092 -16.492 1.00 0.00 C ATOM 855 C SER A 54 -4.366 8.896 -17.495 1.00 0.00 C ATOM 856 O SER A 54 -3.208 8.885 -17.082 1.00 0.00 O ATOM 857 CB SER A 54 -6.078 7.765 -16.008 1.00 0.00 C ATOM 858 OG SER A 54 -7.239 7.366 -16.720 1.00 0.00 O ATOM 0 H SER A 54 -7.400 9.449 -17.277 1.00 0.00 H new ATOM 0 HA SER A 54 -5.044 9.596 -15.639 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.318 6.989 -16.102 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.321 7.847 -14.949 1.00 0.00 H new ATOM 0 HG SER A 54 -7.130 7.581 -17.670 1.00 0.00 H new ATOM 864 N GLY A 55 -4.657 8.807 -18.797 1.00 0.00 N ATOM 865 CA GLY A 55 -3.615 8.803 -19.819 1.00 0.00 C ATOM 866 C GLY A 55 -2.838 10.119 -19.772 1.00 0.00 C ATOM 867 O GLY A 55 -1.606 10.122 -19.755 1.00 0.00 O ATOM 0 H GLY A 55 -5.606 8.737 -19.164 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.938 7.964 -19.658 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.060 8.668 -20.805 1.00 0.00 H new ATOM 871 N GLN A 56 -3.567 11.233 -19.659 1.00 0.00 N ATOM 872 CA GLN A 56 -3.009 12.568 -19.498 1.00 0.00 C ATOM 873 C GLN A 56 -2.125 12.634 -18.241 1.00 0.00 C ATOM 874 O GLN A 56 -0.982 13.091 -18.309 1.00 0.00 O ATOM 875 CB GLN A 56 -4.171 13.584 -19.453 1.00 0.00 C ATOM 876 CG GLN A 56 -4.318 14.428 -20.732 1.00 0.00 C ATOM 877 CD GLN A 56 -4.373 13.636 -22.045 1.00 0.00 C ATOM 878 OE1 GLN A 56 -3.645 13.933 -22.989 1.00 0.00 O ATOM 879 NE2 GLN A 56 -5.228 12.632 -22.161 1.00 0.00 N ATOM 0 H GLN A 56 -4.587 11.225 -19.678 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.365 12.816 -20.342 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.103 13.047 -19.276 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.023 14.252 -18.605 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.226 15.025 -20.650 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.482 15.126 -20.784 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.833 12.384 -21.378 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.282 12.106 -23.033 1.00 0.00 H new ATOM 888 N ALA A 57 -2.627 12.147 -17.101 1.00 0.00 N ATOM 889 CA ALA A 57 -1.903 12.168 -15.838 1.00 0.00 C ATOM 890 C ALA A 57 -0.647 11.294 -15.894 1.00 0.00 C ATOM 891 O ALA A 57 0.391 11.699 -15.378 1.00 0.00 O ATOM 892 CB ALA A 57 -2.820 11.734 -14.689 1.00 0.00 C ATOM 0 H ALA A 57 -3.554 11.726 -17.035 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.578 13.192 -15.656 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.264 11.755 -13.752 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.668 12.416 -14.623 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.181 10.722 -14.874 1.00 0.00 H new ATOM 898 N LYS A 58 -0.696 10.118 -16.531 1.00 0.00 N ATOM 899 CA LYS A 58 0.475 9.249 -16.636 1.00 0.00 C ATOM 900 C LYS A 58 1.634 10.007 -17.280 1.00 0.00 C ATOM 901 O LYS A 58 2.760 9.899 -16.794 1.00 0.00 O ATOM 902 CB LYS A 58 0.123 7.957 -17.397 1.00 0.00 C ATOM 903 CG LYS A 58 1.308 6.977 -17.442 1.00 0.00 C ATOM 904 CD LYS A 58 0.955 5.683 -18.187 1.00 0.00 C ATOM 905 CE LYS A 58 2.211 4.806 -18.313 1.00 0.00 C ATOM 906 NZ LYS A 58 1.966 3.573 -19.102 1.00 0.00 N ATOM 0 H LYS A 58 -1.534 9.749 -16.980 1.00 0.00 H new ATOM 0 HA LYS A 58 0.795 8.951 -15.638 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.729 7.474 -16.918 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.181 8.206 -18.414 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.157 7.456 -17.930 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.619 6.737 -16.425 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.174 5.144 -17.651 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.560 5.916 -19.176 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.007 5.383 -18.784 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.561 4.533 -17.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.874 3.177 -19.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.470 2.875 -18.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.382 3.802 -19.931 1.00 0.00 H new ATOM 920 N GLU A 59 1.375 10.792 -18.329 1.00 0.00 N ATOM 921 CA GLU A 59 2.428 11.532 -19.012 1.00 0.00 C ATOM 922 C GLU A 59 3.057 12.571 -18.080 1.00 0.00 C ATOM 923 O GLU A 59 4.278 12.556 -17.907 1.00 0.00 O ATOM 924 CB GLU A 59 1.901 12.181 -20.302 1.00 0.00 C ATOM 925 CG GLU A 59 1.581 11.133 -21.378 1.00 0.00 C ATOM 926 CD GLU A 59 1.191 11.792 -22.713 1.00 0.00 C ATOM 927 OE1 GLU A 59 -0.006 12.079 -22.936 1.00 0.00 O ATOM 928 OE2 GLU A 59 2.080 12.011 -23.568 1.00 0.00 O ATOM 0 H GLU A 59 0.443 10.929 -18.721 1.00 0.00 H new ATOM 0 HA GLU A 59 3.208 10.826 -19.296 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.004 12.758 -20.078 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.643 12.881 -20.686 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.448 10.489 -21.529 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.766 10.495 -21.035 1.00 0.00 H new ATOM 935 N ILE A 60 2.267 13.452 -17.446 1.00 0.00 N ATOM 936 CA ILE A 60 2.843 14.516 -16.632 1.00 0.00 C ATOM 937 C ILE A 60 3.540 13.944 -15.395 1.00 0.00 C ATOM 938 O ILE A 60 4.583 14.457 -15.003 1.00 0.00 O ATOM 939 CB ILE A 60 1.792 15.590 -16.277 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.794 15.101 -15.206 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.108 16.109 -17.558 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.383 16.031 -14.943 1.00 0.00 C ATOM 0 H ILE A 60 1.248 13.445 -17.484 1.00 0.00 H new ATOM 0 HA ILE A 60 3.608 15.019 -17.224 1.00 0.00 H new ATOM 0 HB ILE A 60 2.304 16.436 -15.818 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.407 14.128 -15.510 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.334 14.951 -14.271 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.369 16.866 -17.295 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.857 16.547 -18.218 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.614 15.282 -18.068 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.025 15.598 -14.176 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.013 16.999 -14.603 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.955 16.163 -15.862 1.00 0.00 H new ATOM 954 N LEU A 61 3.015 12.870 -14.794 1.00 0.00 N ATOM 955 CA LEU A 61 3.623 12.294 -13.603 1.00 0.00 C ATOM 956 C LEU A 61 4.925 11.581 -13.958 1.00 0.00 C ATOM 957 O LEU A 61 5.877 11.649 -13.179 1.00 0.00 O ATOM 958 CB LEU A 61 2.650 11.354 -12.878 1.00 0.00 C ATOM 959 CG LEU A 61 1.393 12.034 -12.297 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.555 11.003 -11.531 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.716 13.220 -11.386 1.00 0.00 C ATOM 0 H LEU A 61 2.175 12.389 -15.115 1.00 0.00 H new ATOM 0 HA LEU A 61 3.859 13.107 -12.916 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.335 10.576 -13.573 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.184 10.859 -12.067 1.00 0.00 H new ATOM 0 HG LEU A 61 0.829 12.431 -13.141 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.332 11.487 -11.122 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.253 10.204 -12.208 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.148 10.584 -10.718 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.789 13.653 -11.011 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.323 12.880 -10.547 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.266 13.973 -11.950 1.00 0.00 H new ATOM 973 N SER A 62 5.009 10.959 -15.138 1.00 0.00 N ATOM 974 CA SER A 62 6.262 10.403 -15.632 1.00 0.00 C ATOM 975 C SER A 62 7.285 11.524 -15.853 1.00 0.00 C ATOM 976 O SER A 62 8.447 11.367 -15.478 1.00 0.00 O ATOM 977 CB SER A 62 6.027 9.608 -16.923 1.00 0.00 C ATOM 978 OG SER A 62 5.070 8.583 -16.725 1.00 0.00 O ATOM 0 H SER A 62 4.217 10.830 -15.768 1.00 0.00 H new ATOM 0 HA SER A 62 6.662 9.717 -14.885 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.686 10.280 -17.711 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.967 9.172 -17.261 1.00 0.00 H new ATOM 0 HG SER A 62 4.180 8.915 -16.967 1.00 0.00 H new ATOM 984 N GLU A 63 6.867 12.675 -16.394 1.00 0.00 N ATOM 985 CA GLU A 63 7.741 13.834 -16.580 1.00 0.00 C ATOM 986 C GLU A 63 8.201 14.394 -15.222 1.00 0.00 C ATOM 987 O GLU A 63 9.367 14.761 -15.067 1.00 0.00 O ATOM 988 CB GLU A 63 7.015 14.887 -17.433 1.00 0.00 C ATOM 989 CG GLU A 63 7.934 16.049 -17.835 1.00 0.00 C ATOM 990 CD GLU A 63 7.222 17.032 -18.780 1.00 0.00 C ATOM 991 OE1 GLU A 63 6.582 17.995 -18.298 1.00 0.00 O ATOM 992 OE2 GLU A 63 7.315 16.870 -20.019 1.00 0.00 O ATOM 0 H GLU A 63 5.911 12.827 -16.715 1.00 0.00 H new ATOM 0 HA GLU A 63 8.643 13.533 -17.112 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.619 14.413 -18.331 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.163 15.277 -16.876 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.265 16.578 -16.941 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.826 15.656 -18.322 1.00 0.00 H new ATOM 999 N MET A 64 7.318 14.393 -14.216 1.00 0.00 N ATOM 1000 CA MET A 64 7.629 14.742 -12.827 1.00 0.00 C ATOM 1001 C MET A 64 8.496 13.674 -12.136 1.00 0.00 C ATOM 1002 O MET A 64 8.888 13.865 -10.984 1.00 0.00 O ATOM 1003 CB MET A 64 6.327 14.989 -12.042 1.00 0.00 C ATOM 1004 CG MET A 64 5.607 16.269 -12.493 1.00 0.00 C ATOM 1005 SD MET A 64 3.903 16.460 -11.891 1.00 0.00 S ATOM 1006 CE MET A 64 4.176 16.632 -10.106 1.00 0.00 C ATOM 0 H MET A 64 6.339 14.142 -14.351 1.00 0.00 H new ATOM 0 HA MET A 64 8.217 15.660 -12.840 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.661 14.136 -12.170 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.555 15.059 -10.978 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.190 17.129 -12.162 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.594 16.293 -13.583 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.218 16.757 -9.602 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.672 15.739 -9.726 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.803 17.503 -9.916 1.00 0.00 H new ATOM 1016 N GLY A 65 8.814 12.562 -12.804 1.00 0.00 N ATOM 1017 CA GLY A 65 9.797 11.588 -12.351 1.00 0.00 C ATOM 1018 C GLY A 65 9.194 10.402 -11.602 1.00 0.00 C ATOM 1019 O GLY A 65 9.955 9.573 -11.106 1.00 0.00 O ATOM 0 H GLY A 65 8.383 12.313 -13.694 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.350 11.217 -13.214 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.516 12.087 -11.702 1.00 0.00 H new ATOM 1023 N TYR A 66 7.864 10.293 -11.498 1.00 0.00 N ATOM 1024 CA TYR A 66 7.214 9.111 -10.942 1.00 0.00 C ATOM 1025 C TYR A 66 7.282 7.993 -11.984 1.00 0.00 C ATOM 1026 O TYR A 66 6.369 7.813 -12.789 1.00 0.00 O ATOM 1027 CB TYR A 66 5.769 9.396 -10.513 1.00 0.00 C ATOM 1028 CG TYR A 66 5.620 10.329 -9.327 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.543 11.724 -9.510 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.546 9.787 -8.031 1.00 0.00 C ATOM 1031 CE1 TYR A 66 5.398 12.575 -8.397 1.00 0.00 C ATOM 1032 CE2 TYR A 66 5.419 10.632 -6.917 1.00 0.00 C ATOM 1033 CZ TYR A 66 5.332 12.030 -7.093 1.00 0.00 C ATOM 1034 OH TYR A 66 5.187 12.846 -6.014 1.00 0.00 O ATOM 0 H TYR A 66 7.215 11.021 -11.797 1.00 0.00 H new ATOM 0 HA TYR A 66 7.737 8.804 -10.036 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.233 9.823 -11.360 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.285 8.449 -10.273 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.595 12.141 -10.505 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.587 8.717 -7.892 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.337 13.644 -8.539 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.388 10.211 -5.923 1.00 0.00 H new ATOM 0 HH TYR A 66 4.994 12.306 -5.219 1.00 0.00 H new ATOM 1044 N THR A 67 8.378 7.243 -11.994 1.00 0.00 N ATOM 1045 CA THR A 67 8.670 6.188 -12.960 1.00 0.00 C ATOM 1046 C THR A 67 7.796 4.923 -12.790 1.00 0.00 C ATOM 1047 O THR A 67 8.074 3.903 -13.424 1.00 0.00 O ATOM 1048 CB THR A 67 10.191 5.907 -12.886 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.682 5.959 -11.555 1.00 0.00 O ATOM 1050 CG2 THR A 67 10.962 6.982 -13.663 1.00 0.00 C ATOM 0 H THR A 67 9.118 7.357 -11.302 1.00 0.00 H new ATOM 0 HA THR A 67 8.404 6.526 -13.962 1.00 0.00 H new ATOM 0 HB THR A 67 10.336 4.910 -13.302 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.644 5.774 -11.554 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.031 6.776 -13.605 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.646 6.973 -14.706 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.757 7.961 -13.230 1.00 0.00 H new ATOM 1058 N HIS A 68 6.751 4.962 -11.948 1.00 0.00 N ATOM 1059 CA HIS A 68 5.967 3.794 -11.532 1.00 0.00 C ATOM 1060 C HIS A 68 4.462 4.086 -11.548 1.00 0.00 C ATOM 1061 O HIS A 68 3.689 3.506 -10.784 1.00 0.00 O ATOM 1062 CB HIS A 68 6.447 3.305 -10.153 1.00 0.00 C ATOM 1063 CG HIS A 68 7.940 3.127 -10.052 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.662 1.979 -10.294 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.839 4.117 -9.769 1.00 0.00 C ATOM 1066 CE1 HIS A 68 9.966 2.276 -10.161 1.00 0.00 C ATOM 1067 NE2 HIS A 68 10.129 3.576 -9.846 1.00 0.00 N ATOM 0 H HIS A 68 6.421 5.831 -11.528 1.00 0.00 H new ATOM 0 HA HIS A 68 6.129 2.992 -12.253 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.124 4.017 -9.394 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.962 2.356 -9.926 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.596 5.141 -9.527 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.773 1.569 -10.289 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.011 4.066 -9.695 1.00 0.00 H new ATOM 1075 N VAL A 69 4.044 5.008 -12.409 1.00 0.00 N ATOM 1076 CA VAL A 69 2.634 5.238 -12.694 1.00 0.00 C ATOM 1077 C VAL A 69 2.259 4.291 -13.835 1.00 0.00 C ATOM 1078 O VAL A 69 3.010 4.162 -14.806 1.00 0.00 O ATOM 1079 CB VAL A 69 2.388 6.718 -13.056 1.00 0.00 C ATOM 1080 CG1 VAL A 69 0.896 7.002 -13.277 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.893 7.642 -11.940 1.00 0.00 C ATOM 0 H VAL A 69 4.675 5.617 -12.929 1.00 0.00 H new ATOM 0 HA VAL A 69 2.009 5.036 -11.824 1.00 0.00 H new ATOM 0 HB VAL A 69 2.934 6.912 -13.979 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.759 8.053 -13.530 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.524 6.381 -14.092 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.343 6.773 -12.366 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.709 8.680 -12.216 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.366 7.415 -11.013 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.963 7.488 -11.797 1.00 0.00 H new ATOM 1091 N GLU A 70 1.090 3.662 -13.748 1.00 0.00 N ATOM 1092 CA GLU A 70 0.513 2.887 -14.834 1.00 0.00 C ATOM 1093 C GLU A 70 -0.972 3.225 -14.913 1.00 0.00 C ATOM 1094 O GLU A 70 -1.619 3.457 -13.887 1.00 0.00 O ATOM 1095 CB GLU A 70 0.771 1.387 -14.601 1.00 0.00 C ATOM 1096 CG GLU A 70 0.195 0.470 -15.695 1.00 0.00 C ATOM 1097 CD GLU A 70 0.759 0.774 -17.094 1.00 0.00 C ATOM 1098 OE1 GLU A 70 0.386 1.817 -17.680 1.00 0.00 O ATOM 1099 OE2 GLU A 70 1.578 -0.019 -17.610 1.00 0.00 O ATOM 0 H GLU A 70 0.512 3.679 -12.908 1.00 0.00 H new ATOM 0 HA GLU A 70 0.975 3.135 -15.790 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.846 1.221 -14.533 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.343 1.101 -13.640 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.409 -0.568 -15.441 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.890 0.576 -15.716 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.512 3.267 -16.132 1.00 0.00 N ATOM 1107 CA ASN A 71 -2.938 3.446 -16.341 1.00 0.00 C ATOM 1108 C ASN A 71 -3.605 2.078 -16.256 1.00 0.00 C ATOM 1109 O ASN A 71 -3.403 1.237 -17.133 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.247 4.136 -17.677 1.00 0.00 C ATOM 1111 CG ASN A 71 -4.747 4.115 -17.983 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.157 3.772 -19.087 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -5.599 4.452 -17.025 1.00 0.00 N ATOM 0 H ASN A 71 -0.972 3.178 -16.993 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.334 4.105 -15.568 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.895 5.167 -17.646 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.703 3.638 -18.480 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.603 4.427 -17.203 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.251 4.736 -16.109 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.388 1.854 -15.198 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.098 0.596 -14.994 1.00 0.00 C ATOM 1122 C ALA A 72 -6.161 0.361 -16.077 1.00 0.00 C ATOM 1123 O ALA A 72 -6.424 -0.789 -16.431 1.00 0.00 O ATOM 1124 CB ALA A 72 -5.740 0.594 -13.605 1.00 0.00 C ATOM 0 H ALA A 72 -4.545 2.541 -14.461 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.378 -0.219 -15.066 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.271 -0.345 -13.451 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.965 0.702 -12.846 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.442 1.424 -13.527 1.00 0.00 H new ATOM 1130 N GLY A 73 -6.769 1.431 -16.598 1.00 0.00 N ATOM 1131 CA GLY A 73 -7.821 1.378 -17.603 1.00 0.00 C ATOM 1132 C GLY A 73 -8.726 2.596 -17.461 1.00 0.00 C ATOM 1133 O GLY A 73 -8.302 3.633 -16.942 1.00 0.00 O ATOM 0 H GLY A 73 -6.532 2.383 -16.320 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.383 1.352 -18.601 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.403 0.464 -17.486 1.00 0.00 H new ATOM 1137 N GLY A 74 -9.973 2.458 -17.902 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.048 3.402 -17.632 1.00 0.00 C ATOM 1139 C GLY A 74 -12.068 2.702 -16.741 1.00 0.00 C ATOM 1140 O GLY A 74 -12.073 1.473 -16.649 1.00 0.00 O ATOM 0 H GLY A 74 -10.269 1.665 -18.472 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.659 4.294 -17.140 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.513 3.728 -18.562 1.00 0.00 H new ATOM 1144 N LEU A 75 -12.932 3.476 -16.084 1.00 0.00 N ATOM 1145 CA LEU A 75 -13.841 3.036 -15.021 1.00 0.00 C ATOM 1146 C LEU A 75 -14.552 1.707 -15.302 1.00 0.00 C ATOM 1147 O LEU A 75 -14.579 0.828 -14.440 1.00 0.00 O ATOM 1148 CB LEU A 75 -14.862 4.165 -14.791 1.00 0.00 C ATOM 1149 CG LEU A 75 -15.990 3.843 -13.792 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -15.434 3.570 -12.389 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -16.963 5.024 -13.775 1.00 0.00 C ATOM 0 H LEU A 75 -13.023 4.472 -16.286 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.245 2.840 -14.129 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.329 5.048 -14.438 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.312 4.426 -15.749 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.508 2.937 -14.105 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.256 3.346 -11.709 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.753 2.720 -12.427 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.898 4.449 -12.033 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -17.772 4.819 -13.074 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.435 5.926 -13.466 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -17.376 5.169 -14.773 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.138 1.556 -16.493 1.00 0.00 N ATOM 1164 CA LYS A 76 -15.943 0.379 -16.822 1.00 0.00 C ATOM 1165 C LYS A 76 -15.081 -0.865 -17.060 1.00 0.00 C ATOM 1166 O LYS A 76 -15.607 -1.977 -17.012 1.00 0.00 O ATOM 1167 CB LYS A 76 -16.831 0.671 -18.046 1.00 0.00 C ATOM 1168 CG LYS A 76 -17.793 1.862 -17.874 1.00 0.00 C ATOM 1169 CD LYS A 76 -18.782 1.690 -16.710 1.00 0.00 C ATOM 1170 CE LYS A 76 -19.767 2.866 -16.676 1.00 0.00 C ATOM 1171 NZ LYS A 76 -20.779 2.717 -15.603 1.00 0.00 N ATOM 0 H LYS A 76 -15.069 2.238 -17.248 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.578 0.164 -15.963 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.189 0.861 -18.906 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.415 -0.220 -18.275 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.210 2.769 -17.714 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.353 2.002 -18.798 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.327 0.752 -16.821 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.239 1.633 -15.767 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.216 3.795 -16.528 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.270 2.944 -17.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.433 3.525 -15.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.312 1.836 -15.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.303 2.686 -14.679 1.00 0.00 H new ATOM 1185 N ASP A 77 -13.782 -0.704 -17.321 1.00 0.00 N ATOM 1186 CA ASP A 77 -12.866 -1.806 -17.609 1.00 0.00 C ATOM 1187 C ASP A 77 -12.203 -2.347 -16.338 1.00 0.00 C ATOM 1188 O ASP A 77 -11.766 -3.498 -16.329 1.00 0.00 O ATOM 1189 CB ASP A 77 -11.790 -1.339 -18.599 1.00 0.00 C ATOM 1190 CG ASP A 77 -10.854 -2.490 -19.005 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -11.307 -3.425 -19.704 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -9.648 -2.440 -18.674 1.00 0.00 O ATOM 0 H ASP A 77 -13.331 0.211 -17.338 1.00 0.00 H new ATOM 0 HA ASP A 77 -13.449 -2.616 -18.047 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.267 -0.927 -19.488 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.206 -0.536 -18.150 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.133 -1.551 -15.260 1.00 0.00 N ATOM 1198 CA ILE A 78 -11.509 -1.976 -14.006 1.00 0.00 C ATOM 1199 C ILE A 78 -12.314 -3.159 -13.446 1.00 0.00 C ATOM 1200 O ILE A 78 -13.542 -3.081 -13.365 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.430 -0.824 -12.969 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -11.114 0.581 -13.527 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -10.389 -1.187 -11.895 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -9.793 0.723 -14.289 1.00 0.00 C ATOM 0 H ILE A 78 -12.506 -0.602 -15.236 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.481 -2.276 -14.207 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.439 -0.741 -12.566 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -11.926 0.877 -14.191 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -11.108 1.287 -12.696 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.327 -0.383 -11.162 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.687 -2.110 -11.397 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.415 -1.326 -12.364 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.680 1.751 -14.633 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.963 0.467 -13.630 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.794 0.052 -15.148 1.00 0.00 H new ATOM 1216 N ALA A 79 -11.640 -4.235 -13.026 1.00 0.00 N ATOM 1217 CA ALA A 79 -12.298 -5.414 -12.459 1.00 0.00 C ATOM 1218 C ALA A 79 -12.759 -5.203 -11.005 1.00 0.00 C ATOM 1219 O ALA A 79 -13.571 -5.981 -10.502 1.00 0.00 O ATOM 1220 CB ALA A 79 -11.336 -6.607 -12.534 1.00 0.00 C ATOM 0 H ALA A 79 -10.624 -4.312 -13.070 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.196 -5.604 -13.046 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.818 -7.490 -12.114 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.073 -6.798 -13.575 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.433 -6.382 -11.967 1.00 0.00 H new ATOM 1226 N MET A 80 -12.222 -4.190 -10.317 1.00 0.00 N ATOM 1227 CA MET A 80 -12.485 -3.926 -8.901 1.00 0.00 C ATOM 1228 C MET A 80 -13.950 -3.517 -8.663 1.00 0.00 C ATOM 1229 O MET A 80 -14.587 -2.996 -9.587 1.00 0.00 O ATOM 1230 CB MET A 80 -11.564 -2.800 -8.401 1.00 0.00 C ATOM 1231 CG MET A 80 -10.073 -3.158 -8.417 1.00 0.00 C ATOM 1232 SD MET A 80 -9.575 -4.529 -7.334 1.00 0.00 S ATOM 1233 CE MET A 80 -9.756 -3.746 -5.706 1.00 0.00 C ATOM 0 H MET A 80 -11.580 -3.518 -10.738 1.00 0.00 H new ATOM 0 HA MET A 80 -12.290 -4.847 -8.352 1.00 0.00 H new ATOM 0 HB2 MET A 80 -11.721 -1.916 -9.018 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.852 -2.534 -7.384 1.00 0.00 H new ATOM 0 HG2 MET A 80 -9.790 -3.407 -9.440 1.00 0.00 H new ATOM 0 HG3 MET A 80 -9.503 -2.272 -8.135 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.403 -4.428 -4.933 1.00 0.00 H new ATOM 0 HE2 MET A 80 -9.168 -2.828 -5.676 1.00 0.00 H new ATOM 0 HE3 MET A 80 -10.806 -3.510 -5.530 1.00 0.00 H new ATOM 1243 N PRO A 81 -14.491 -3.704 -7.442 1.00 0.00 N ATOM 1244 CA PRO A 81 -15.775 -3.135 -7.032 1.00 0.00 C ATOM 1245 C PRO A 81 -15.781 -1.603 -7.118 1.00 0.00 C ATOM 1246 O PRO A 81 -14.723 -0.964 -7.092 1.00 0.00 O ATOM 1247 CB PRO A 81 -15.994 -3.589 -5.582 1.00 0.00 C ATOM 1248 CG PRO A 81 -15.094 -4.812 -5.433 1.00 0.00 C ATOM 1249 CD PRO A 81 -13.923 -4.488 -6.355 1.00 0.00 C ATOM 0 HA PRO A 81 -16.571 -3.477 -7.694 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.722 -2.806 -4.874 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.039 -3.838 -5.396 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.770 -4.952 -4.402 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.603 -5.728 -5.734 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.152 -3.927 -5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.455 -5.398 -6.730 1.00 0.00 H new ATOM 1257 N LYS A 82 -16.975 -1.000 -7.138 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.157 0.451 -7.196 1.00 0.00 C ATOM 1259 C LYS A 82 -18.132 0.910 -6.114 1.00 0.00 C ATOM 1260 O LYS A 82 -18.929 0.117 -5.608 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.649 0.918 -8.584 1.00 0.00 C ATOM 1262 CG LYS A 82 -16.661 0.695 -9.742 1.00 0.00 C ATOM 1263 CD LYS A 82 -16.881 -0.641 -10.461 1.00 0.00 C ATOM 1264 CE LYS A 82 -15.839 -0.837 -11.569 1.00 0.00 C ATOM 1265 NZ LYS A 82 -15.814 -2.244 -12.030 1.00 0.00 N ATOM 0 H LYS A 82 -17.854 -1.516 -7.114 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.182 0.906 -7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.578 0.397 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.884 1.981 -8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -16.760 1.509 -10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.642 0.732 -9.357 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.816 -1.460 -9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.883 -0.669 -10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.067 -0.180 -12.408 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.853 -0.554 -11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.055 -2.366 -12.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.641 -2.872 -11.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.728 -2.483 -12.464 1.00 0.00 H new ATOM 1279 N VAL A 83 -18.074 2.199 -5.796 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.893 2.911 -4.821 1.00 0.00 C ATOM 1281 C VAL A 83 -19.217 4.297 -5.403 1.00 0.00 C ATOM 1282 O VAL A 83 -18.757 4.636 -6.497 1.00 0.00 O ATOM 1283 CB VAL A 83 -18.156 2.993 -3.460 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -17.894 1.604 -2.857 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -16.828 3.763 -3.541 1.00 0.00 C ATOM 0 H VAL A 83 -17.402 2.820 -6.247 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.828 2.384 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 83 -18.833 3.545 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -17.376 1.713 -1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -18.843 1.092 -2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.277 1.021 -3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.360 3.786 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -16.163 3.267 -4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -17.018 4.783 -3.876 1.00 0.00 H new ATOM 1295 N LYS A 84 -19.989 5.111 -4.678 1.00 0.00 N ATOM 1296 CA LYS A 84 -20.334 6.489 -5.039 1.00 0.00 C ATOM 1297 C LYS A 84 -20.110 7.385 -3.818 1.00 0.00 C ATOM 1298 O LYS A 84 -19.805 6.882 -2.731 1.00 0.00 O ATOM 1299 CB LYS A 84 -21.794 6.567 -5.527 1.00 0.00 C ATOM 1300 CG LYS A 84 -22.039 5.765 -6.817 1.00 0.00 C ATOM 1301 CD LYS A 84 -23.444 5.973 -7.402 1.00 0.00 C ATOM 1302 CE LYS A 84 -24.545 5.440 -6.471 1.00 0.00 C ATOM 1303 NZ LYS A 84 -25.899 5.590 -7.060 1.00 0.00 N ATOM 0 H LYS A 84 -20.405 4.819 -3.794 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.699 6.831 -5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -22.454 6.195 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -22.059 7.610 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -21.296 6.052 -7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -21.892 4.705 -6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -23.607 7.035 -7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -23.512 5.471 -8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -24.359 4.388 -6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -24.503 5.972 -5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -26.609 5.217 -6.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -26.089 6.596 -7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -25.949 5.062 -7.954 1.00 0.00 H new ATOM 1317 N GLY A 85 -20.237 8.702 -3.996 1.00 0.00 N ATOM 1318 CA GLY A 85 -20.168 9.673 -2.910 1.00 0.00 C ATOM 1319 C GLY A 85 -21.209 9.344 -1.845 1.00 0.00 C ATOM 1320 O GLY A 85 -22.373 9.074 -2.208 1.00 0.00 O ATOM 1321 OXT GLY A 85 -20.865 9.371 -0.647 1.00 0.00 O ATOM 0 H GLY A 85 -20.392 9.126 -4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -19.171 9.667 -2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -20.339 10.677 -3.298 1.00 0.00 H new TER 1325 GLY A 85