USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 731 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 37 MET CE :methyl 149:sc= -2 (180deg=-4.02!) USER MOD Set 1.2: A 80 GLN : amide:sc= 0 X(o=-2,f=-2) USER MOD Set 2.1: A 18 THR OG1 : rot 123:sc= 0.582 USER MOD Set 2.2: A 38 HIS : no HD1:sc= 0.507 K(o=1.1,f=-2.7) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.144 (180deg=-0.729) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.08 (180deg=0.958) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0655 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.02) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.0118 F(o=-1.2,f=-0.012) USER MOD Single : A 34 SER OG : rot -146:sc= 0.707 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 46 SER OG : rot -80:sc= 0.594 USER MOD Single : A 47 SER OG : rot -127:sc= 0.515 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= 0.792 (180deg=0.789) USER MOD Single : A 60 ASN : amide:sc= -0.0672 X(o=-0.067,f=-0.28) USER MOD Single : A 62 SER OG : rot -26:sc= 0.584 USER MOD Single : A 65 THR OG1 : rot -95:sc= 1.68 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN :FLIP amide:sc= -0.01 F(o=-1.1,f=-0.01) USER MOD Single : A 76 GLN :FLIP amide:sc=-0.000586 F(o=-1,f=-0.00059) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.79) USER MOD Single : A 83 ASN : amide:sc= 3.2 K(o=3.2,f=-8.8!) USER MOD Single : A 92 SER OG : rot -83:sc= 0.665 USER MOD Single : A 97 ASN : amide:sc= 0.558 K(o=0.56,f=-3.1!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.343 -1.022 -3.441 1.00 0.00 N ATOM 2 CA MET A 1 -11.912 -2.412 -3.167 1.00 0.00 C ATOM 3 C MET A 1 -10.862 -2.851 -4.171 1.00 0.00 C ATOM 4 O MET A 1 -10.957 -2.546 -5.357 1.00 0.00 O ATOM 5 CB MET A 1 -13.117 -3.360 -3.215 1.00 0.00 C ATOM 6 CG MET A 1 -12.769 -4.800 -2.867 1.00 0.00 C ATOM 7 SD MET A 1 -14.192 -5.906 -2.922 1.00 0.00 S ATOM 8 CE MET A 1 -15.254 -5.158 -1.688 1.00 0.00 C ATOM 0 H1 MET A 1 -13.024 -0.720 -2.715 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.516 -0.392 -3.423 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.793 -0.976 -4.378 1.00 0.00 H new ATOM 0 HA MET A 1 -11.475 -2.448 -2.169 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.880 -3.001 -2.524 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.553 -3.331 -4.214 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.009 -5.161 -3.560 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.331 -4.831 -1.869 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.999 -5.883 -1.361 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.654 -4.844 -0.834 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.756 -4.291 -2.117 1.00 0.00 H new ATOM 20 N LEU A 2 -9.856 -3.561 -3.687 1.00 0.00 N ATOM 21 CA LEU A 2 -8.789 -4.047 -4.536 1.00 0.00 C ATOM 22 C LEU A 2 -9.052 -5.484 -4.934 1.00 0.00 C ATOM 23 O LEU A 2 -8.901 -6.406 -4.132 1.00 0.00 O ATOM 24 CB LEU A 2 -7.430 -3.938 -3.839 1.00 0.00 C ATOM 25 CG LEU A 2 -6.832 -2.530 -3.752 1.00 0.00 C ATOM 26 CD1 LEU A 2 -6.765 -1.886 -5.130 1.00 0.00 C ATOM 27 CD2 LEU A 2 -7.615 -1.654 -2.785 1.00 0.00 C ATOM 0 H LEU A 2 -9.759 -3.813 -2.703 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.762 -3.424 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.530 -4.332 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.722 -4.580 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.817 -2.624 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.337 -0.887 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.141 -2.493 -5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.769 -1.816 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.165 -0.662 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.648 -1.571 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.594 -2.101 -1.791 1.00 0.00 H new ATOM 39 N VAL A 3 -9.494 -5.657 -6.158 1.00 0.00 N ATOM 40 CA VAL A 3 -9.731 -6.982 -6.705 1.00 0.00 C ATOM 41 C VAL A 3 -8.417 -7.594 -7.175 1.00 0.00 C ATOM 42 O VAL A 3 -7.819 -7.125 -8.140 1.00 0.00 O ATOM 43 CB VAL A 3 -10.730 -6.944 -7.885 1.00 0.00 C ATOM 44 CG1 VAL A 3 -11.062 -8.351 -8.356 1.00 0.00 C ATOM 45 CG2 VAL A 3 -11.994 -6.193 -7.499 1.00 0.00 C ATOM 0 H VAL A 3 -9.699 -4.893 -6.802 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.164 -7.592 -5.912 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.258 -6.412 -8.711 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.766 -8.300 -9.186 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.150 -8.850 -8.684 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.508 -8.913 -7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.682 -6.179 -8.345 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.469 -6.690 -6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.739 -5.170 -7.222 1.00 0.00 H new ATOM 55 N ILE A 4 -7.963 -8.621 -6.472 1.00 0.00 N ATOM 56 CA ILE A 4 -6.724 -9.300 -6.828 1.00 0.00 C ATOM 57 C ILE A 4 -7.023 -10.497 -7.720 1.00 0.00 C ATOM 58 O ILE A 4 -6.332 -10.746 -8.710 1.00 0.00 O ATOM 59 CB ILE A 4 -5.961 -9.770 -5.569 1.00 0.00 C ATOM 60 CG1 ILE A 4 -5.678 -8.581 -4.647 1.00 0.00 C ATOM 61 CG2 ILE A 4 -4.666 -10.473 -5.955 1.00 0.00 C ATOM 62 CD1 ILE A 4 -4.991 -8.964 -3.355 1.00 0.00 C ATOM 0 H ILE A 4 -8.433 -9.003 -5.652 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.095 -8.590 -7.366 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.585 -10.484 -5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.057 -7.860 -5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.618 -8.081 -4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.145 -10.796 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.894 -11.341 -6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.032 -9.786 -6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.823 -8.071 -2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.620 -9.661 -2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.034 -9.437 -3.578 1.00 0.00 H new ATOM 74 N SER A 5 -8.075 -11.215 -7.372 1.00 0.00 N ATOM 75 CA SER A 5 -8.483 -12.388 -8.119 1.00 0.00 C ATOM 76 C SER A 5 -9.997 -12.531 -8.037 1.00 0.00 C ATOM 77 O SER A 5 -10.668 -11.691 -7.431 1.00 0.00 O ATOM 78 CB SER A 5 -7.785 -13.637 -7.562 1.00 0.00 C ATOM 79 OG SER A 5 -8.050 -14.780 -8.359 1.00 0.00 O ATOM 0 H SER A 5 -8.667 -11.003 -6.569 1.00 0.00 H new ATOM 0 HA SER A 5 -8.194 -12.278 -9.164 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.710 -13.465 -7.518 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.121 -13.818 -6.541 1.00 0.00 H new ATOM 0 HG SER A 5 -7.590 -15.558 -7.979 1.00 0.00 H new ATOM 85 N ASN A 6 -10.527 -13.596 -8.626 1.00 0.00 N ATOM 86 CA ASN A 6 -11.967 -13.820 -8.674 1.00 0.00 C ATOM 87 C ASN A 6 -12.572 -13.872 -7.273 1.00 0.00 C ATOM 88 O ASN A 6 -13.562 -13.198 -6.994 1.00 0.00 O ATOM 89 CB ASN A 6 -12.279 -15.112 -9.442 1.00 0.00 C ATOM 90 CG ASN A 6 -13.747 -15.489 -9.378 1.00 0.00 C ATOM 91 OD1 ASN A 6 -14.568 -14.984 -10.147 1.00 0.00 O ATOM 92 ND2 ASN A 6 -14.080 -16.414 -8.492 1.00 0.00 N ATOM 0 H ASN A 6 -9.976 -14.324 -9.081 1.00 0.00 H new ATOM 0 HA ASN A 6 -12.419 -12.978 -9.199 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -11.984 -14.991 -10.484 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -11.680 -15.926 -9.034 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -15.046 -16.734 -8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -13.370 -16.807 -7.874 1.00 0.00 H new ATOM 99 N ASN A 7 -11.960 -14.647 -6.385 1.00 0.00 N ATOM 100 CA ASN A 7 -12.485 -14.810 -5.032 1.00 0.00 C ATOM 101 C ASN A 7 -11.551 -14.162 -4.012 1.00 0.00 C ATOM 102 O ASN A 7 -11.605 -14.454 -2.818 1.00 0.00 O ATOM 103 CB ASN A 7 -12.667 -16.297 -4.717 1.00 0.00 C ATOM 104 CG ASN A 7 -13.690 -16.554 -3.623 1.00 0.00 C ATOM 105 OD1 ASN A 7 -14.886 -16.667 -3.892 1.00 0.00 O ATOM 106 ND2 ASN A 7 -13.233 -16.655 -2.384 1.00 0.00 N ATOM 0 H ASN A 7 -11.105 -15.170 -6.574 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.454 -14.315 -4.972 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -12.974 -16.819 -5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.708 -16.718 -4.416 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.879 -16.832 -1.615 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -12.235 -16.556 -2.199 1.00 0.00 H new ATOM 113 N VAL A 8 -10.704 -13.266 -4.489 1.00 0.00 N ATOM 114 CA VAL A 8 -9.758 -12.581 -3.629 1.00 0.00 C ATOM 115 C VAL A 8 -9.931 -11.078 -3.770 1.00 0.00 C ATOM 116 O VAL A 8 -9.748 -10.514 -4.851 1.00 0.00 O ATOM 117 CB VAL A 8 -8.298 -12.965 -3.958 1.00 0.00 C ATOM 118 CG1 VAL A 8 -7.330 -12.254 -3.025 1.00 0.00 C ATOM 119 CG2 VAL A 8 -8.110 -14.472 -3.871 1.00 0.00 C ATOM 0 H VAL A 8 -10.653 -12.996 -5.471 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.962 -12.887 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.084 -12.648 -4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.308 -12.539 -3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.443 -11.176 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.544 -12.537 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.076 -14.724 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.346 -14.810 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.774 -14.963 -4.583 1.00 0.00 H new ATOM 129 N HIS A 9 -10.280 -10.440 -2.668 1.00 0.00 N ATOM 130 CA HIS A 9 -10.579 -9.011 -2.656 1.00 0.00 C ATOM 131 C HIS A 9 -9.989 -8.352 -1.420 1.00 0.00 C ATOM 132 O HIS A 9 -9.964 -8.952 -0.346 1.00 0.00 O ATOM 133 CB HIS A 9 -12.093 -8.770 -2.649 1.00 0.00 C ATOM 134 CG HIS A 9 -12.833 -9.378 -3.800 1.00 0.00 C ATOM 135 ND1 HIS A 9 -13.059 -8.918 -5.051 1.00 0.00 N flip ATOM 136 CD2 HIS A 9 -13.467 -10.598 -3.724 1.00 0.00 C flip ATOM 137 CE1 HIS A 9 -13.821 -9.857 -5.701 1.00 0.00 C flip ATOM 138 NE2 HIS A 9 -14.051 -10.860 -4.876 1.00 0.00 N flip ATOM 0 H HIS A 9 -10.365 -10.891 -1.757 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.140 -8.580 -3.556 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.505 -9.166 -1.721 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.275 -7.695 -2.646 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.483 -11.240 -2.856 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -14.174 -9.786 -6.719 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.590 -11.698 -5.093 1.00 0.00 H new ATOM 147 N LEU A 10 -9.511 -7.129 -1.572 1.00 0.00 N ATOM 148 CA LEU A 10 -9.106 -6.333 -0.431 1.00 0.00 C ATOM 149 C LEU A 10 -10.087 -5.192 -0.218 1.00 0.00 C ATOM 150 O LEU A 10 -10.092 -4.217 -0.975 1.00 0.00 O ATOM 151 CB LEU A 10 -7.692 -5.786 -0.630 1.00 0.00 C ATOM 152 CG LEU A 10 -6.582 -6.838 -0.604 1.00 0.00 C ATOM 153 CD1 LEU A 10 -5.226 -6.191 -0.827 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.603 -7.598 0.717 1.00 0.00 C ATOM 0 H LEU A 10 -9.395 -6.668 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.106 -6.969 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.653 -5.262 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.491 -5.049 0.147 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.758 -7.546 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.450 -6.956 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.216 -5.692 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.038 -5.460 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.808 -8.343 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.451 -6.900 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.566 -8.095 0.836 1.00 0.00 H new ATOM 166 N PRO A 11 -10.965 -5.320 0.783 1.00 0.00 N ATOM 167 CA PRO A 11 -11.926 -4.276 1.127 1.00 0.00 C ATOM 168 C PRO A 11 -11.228 -3.003 1.576 1.00 0.00 C ATOM 169 O PRO A 11 -10.226 -3.052 2.292 1.00 0.00 O ATOM 170 CB PRO A 11 -12.733 -4.879 2.281 1.00 0.00 C ATOM 171 CG PRO A 11 -12.492 -6.346 2.195 1.00 0.00 C ATOM 172 CD PRO A 11 -11.100 -6.494 1.659 1.00 0.00 C ATOM 0 HA PRO A 11 -12.545 -3.992 0.276 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.406 -4.481 3.242 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.794 -4.647 2.184 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.588 -6.817 3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.218 -6.825 1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.357 -6.492 2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.975 -7.427 1.109 1.00 0.00 H new ATOM 180 N ASP A 12 -11.768 -1.872 1.146 1.00 0.00 N ATOM 181 CA ASP A 12 -11.213 -0.564 1.449 1.00 0.00 C ATOM 182 C ASP A 12 -11.014 -0.385 2.949 1.00 0.00 C ATOM 183 O ASP A 12 -10.021 0.185 3.397 1.00 0.00 O ATOM 184 CB ASP A 12 -12.169 0.503 0.930 1.00 0.00 C ATOM 185 CG ASP A 12 -12.430 0.374 -0.561 1.00 0.00 C ATOM 186 OD1 ASP A 12 -13.176 -0.549 -0.955 1.00 0.00 O ATOM 187 OD2 ASP A 12 -11.880 1.175 -1.348 1.00 0.00 O ATOM 0 H ASP A 12 -12.611 -1.838 0.572 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.240 -0.473 0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.114 0.433 1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.756 1.490 1.139 1.00 0.00 H new ATOM 192 N ALA A 13 -11.971 -0.892 3.711 1.00 0.00 N ATOM 193 CA ALA A 13 -11.953 -0.781 5.166 1.00 0.00 C ATOM 194 C ALA A 13 -10.754 -1.496 5.797 1.00 0.00 C ATOM 195 O ALA A 13 -10.299 -1.108 6.870 1.00 0.00 O ATOM 196 CB ALA A 13 -13.244 -1.328 5.744 1.00 0.00 C ATOM 0 H ALA A 13 -12.781 -1.391 3.342 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.858 0.278 5.405 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.222 -1.241 6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.088 -0.760 5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.352 -2.376 5.466 1.00 0.00 H new ATOM 202 N GLU A 14 -10.238 -2.529 5.137 1.00 0.00 N ATOM 203 CA GLU A 14 -9.128 -3.304 5.694 1.00 0.00 C ATOM 204 C GLU A 14 -7.789 -2.653 5.378 1.00 0.00 C ATOM 205 O GLU A 14 -6.732 -3.154 5.764 1.00 0.00 O ATOM 206 CB GLU A 14 -9.152 -4.749 5.192 1.00 0.00 C ATOM 207 CG GLU A 14 -10.310 -5.558 5.750 1.00 0.00 C ATOM 208 CD GLU A 14 -10.202 -7.040 5.449 1.00 0.00 C ATOM 209 OE1 GLU A 14 -9.171 -7.654 5.804 1.00 0.00 O ATOM 210 OE2 GLU A 14 -11.150 -7.603 4.867 1.00 0.00 O ATOM 0 H GLU A 14 -10.565 -2.848 4.225 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.253 -3.319 6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.210 -4.748 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.215 -5.236 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.358 -5.415 6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.244 -5.177 5.337 1.00 0.00 H new ATOM 217 N ILE A 15 -7.845 -1.537 4.682 1.00 0.00 N ATOM 218 CA ILE A 15 -6.656 -0.763 4.379 1.00 0.00 C ATOM 219 C ILE A 15 -6.726 0.577 5.101 1.00 0.00 C ATOM 220 O ILE A 15 -7.646 1.366 4.872 1.00 0.00 O ATOM 221 CB ILE A 15 -6.500 -0.529 2.861 1.00 0.00 C ATOM 222 CG1 ILE A 15 -6.520 -1.868 2.114 1.00 0.00 C ATOM 223 CG2 ILE A 15 -5.211 0.228 2.571 1.00 0.00 C ATOM 224 CD1 ILE A 15 -6.433 -1.728 0.610 1.00 0.00 C ATOM 0 H ILE A 15 -8.709 -1.141 4.312 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.788 -1.328 4.720 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.338 0.074 2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.688 -2.480 2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.436 -2.402 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.115 0.385 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.233 1.192 3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.360 -0.351 2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.453 -2.716 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.279 -1.143 0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.504 -1.223 0.345 1.00 0.00 H new ATOM 236 N GLU A 16 -5.772 0.823 5.987 1.00 0.00 N ATOM 237 CA GLU A 16 -5.774 2.039 6.780 1.00 0.00 C ATOM 238 C GLU A 16 -5.373 3.232 5.921 1.00 0.00 C ATOM 239 O GLU A 16 -4.198 3.408 5.588 1.00 0.00 O ATOM 240 CB GLU A 16 -4.826 1.901 7.970 1.00 0.00 C ATOM 241 CG GLU A 16 -4.878 3.071 8.936 1.00 0.00 C ATOM 242 CD GLU A 16 -6.240 3.232 9.578 1.00 0.00 C ATOM 243 OE1 GLU A 16 -6.521 2.526 10.567 1.00 0.00 O ATOM 244 OE2 GLU A 16 -7.037 4.065 9.095 1.00 0.00 O ATOM 0 H GLU A 16 -4.989 0.197 6.173 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.783 2.204 7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.067 0.985 8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.807 1.793 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.128 2.930 9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.619 3.988 8.406 1.00 0.00 H new ATOM 251 N LEU A 17 -6.362 4.026 5.550 1.00 0.00 N ATOM 252 CA LEU A 17 -6.143 5.198 4.725 1.00 0.00 C ATOM 253 C LEU A 17 -6.170 6.457 5.585 1.00 0.00 C ATOM 254 O LEU A 17 -7.214 6.833 6.122 1.00 0.00 O ATOM 255 CB LEU A 17 -7.215 5.275 3.635 1.00 0.00 C ATOM 256 CG LEU A 17 -7.262 4.075 2.685 1.00 0.00 C ATOM 257 CD1 LEU A 17 -8.449 4.184 1.739 1.00 0.00 C ATOM 258 CD2 LEU A 17 -5.966 3.965 1.898 1.00 0.00 C ATOM 0 H LEU A 17 -7.336 3.876 5.812 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.164 5.122 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.189 5.379 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.049 6.178 3.047 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.381 3.172 3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.464 3.321 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.373 4.212 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.362 5.097 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.019 3.106 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.817 4.873 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.131 3.837 2.587 1.00 0.00 H new ATOM 270 N THR A 18 -5.017 7.091 5.728 1.00 0.00 N ATOM 271 CA THR A 18 -4.901 8.305 6.519 1.00 0.00 C ATOM 272 C THR A 18 -4.410 9.463 5.643 1.00 0.00 C ATOM 273 O THR A 18 -3.820 9.246 4.585 1.00 0.00 O ATOM 274 CB THR A 18 -3.926 8.106 7.701 1.00 0.00 C ATOM 275 OG1 THR A 18 -4.006 6.756 8.184 1.00 0.00 O ATOM 276 CG2 THR A 18 -4.243 9.062 8.839 1.00 0.00 C ATOM 0 H THR A 18 -4.143 6.782 5.303 1.00 0.00 H new ATOM 0 HA THR A 18 -5.888 8.541 6.916 1.00 0.00 H new ATOM 0 HB THR A 18 -2.918 8.311 7.341 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.119 6.341 8.145 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.541 8.899 9.657 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.157 10.090 8.486 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.259 8.884 9.192 1.00 0.00 H new ATOM 284 N ALA A 19 -4.662 10.683 6.081 1.00 0.00 N ATOM 285 CA ALA A 19 -4.198 11.864 5.381 1.00 0.00 C ATOM 286 C ALA A 19 -3.104 12.548 6.186 1.00 0.00 C ATOM 287 O ALA A 19 -3.232 12.715 7.399 1.00 0.00 O ATOM 288 CB ALA A 19 -5.354 12.822 5.135 1.00 0.00 C ATOM 0 H ALA A 19 -5.192 10.881 6.929 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.789 11.564 4.416 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.990 13.704 4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.114 12.327 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.787 13.122 6.089 1.00 0.00 H new ATOM 294 N ILE A 20 -2.028 12.924 5.520 1.00 0.00 N ATOM 295 CA ILE A 20 -0.925 13.600 6.184 1.00 0.00 C ATOM 296 C ILE A 20 -0.920 15.074 5.816 1.00 0.00 C ATOM 297 O ILE A 20 -0.462 15.456 4.733 1.00 0.00 O ATOM 298 CB ILE A 20 0.439 12.987 5.803 1.00 0.00 C ATOM 299 CG1 ILE A 20 0.434 11.472 6.033 1.00 0.00 C ATOM 300 CG2 ILE A 20 1.560 13.643 6.607 1.00 0.00 C ATOM 301 CD1 ILE A 20 1.699 10.781 5.568 1.00 0.00 C ATOM 0 H ILE A 20 -1.893 12.774 4.520 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.071 13.477 7.257 1.00 0.00 H new ATOM 0 HB ILE A 20 0.615 13.173 4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.293 11.275 7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.419 11.037 5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.516 13.200 6.327 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.580 14.712 6.397 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.385 13.485 7.671 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.622 9.711 5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.832 10.946 4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.555 11.188 6.107 1.00 0.00 H new ATOM 313 N ARG A 21 -1.456 15.894 6.700 1.00 0.00 N ATOM 314 CA ARG A 21 -1.445 17.332 6.496 1.00 0.00 C ATOM 315 C ARG A 21 -0.089 17.892 6.889 1.00 0.00 C ATOM 316 O ARG A 21 0.413 17.623 7.981 1.00 0.00 O ATOM 317 CB ARG A 21 -2.546 18.019 7.310 1.00 0.00 C ATOM 318 CG ARG A 21 -2.511 19.535 7.186 1.00 0.00 C ATOM 319 CD ARG A 21 -3.567 20.214 8.041 1.00 0.00 C ATOM 320 NE ARG A 21 -3.397 21.669 8.033 1.00 0.00 N ATOM 321 CZ ARG A 21 -4.070 22.516 8.812 1.00 0.00 C ATOM 322 NH1 ARG A 21 -5.013 22.076 9.639 1.00 0.00 N ATOM 323 NH2 ARG A 21 -3.796 23.815 8.749 1.00 0.00 N ATOM 0 H ARG A 21 -1.904 15.591 7.565 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.634 17.528 5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.518 17.654 6.979 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.442 17.742 8.359 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.525 19.897 7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.658 19.814 6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.559 19.959 7.669 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.505 19.843 9.064 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.715 22.062 7.385 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.229 21.080 9.683 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.521 22.734 10.230 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.077 24.154 8.109 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.304 24.473 9.340 1.00 0.00 H new ATOM 494 N SER A 34 -1.335 19.814 1.691 1.00 0.00 N ATOM 495 CA SER A 34 -0.462 18.687 1.397 1.00 0.00 C ATOM 496 C SER A 34 -1.124 17.707 0.423 1.00 0.00 C ATOM 497 O SER A 34 -2.322 17.780 0.149 1.00 0.00 O ATOM 498 CB SER A 34 -0.072 17.993 2.705 1.00 0.00 C ATOM 499 OG SER A 34 0.721 16.838 2.501 1.00 0.00 O ATOM 0 HA SER A 34 0.440 19.057 0.909 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.474 18.696 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.976 17.716 3.247 1.00 0.00 H new ATOM 0 HG SER A 34 0.511 16.171 3.188 1.00 0.00 H new ATOM 505 N SER A 35 -0.324 16.808 -0.116 1.00 0.00 N ATOM 506 CA SER A 35 -0.812 15.802 -1.042 1.00 0.00 C ATOM 507 C SER A 35 -0.467 14.413 -0.524 1.00 0.00 C ATOM 508 O SER A 35 -0.643 13.410 -1.211 1.00 0.00 O ATOM 509 CB SER A 35 -0.206 16.028 -2.429 1.00 0.00 C ATOM 510 OG SER A 35 1.195 16.234 -2.349 1.00 0.00 O ATOM 0 H SER A 35 0.677 16.753 0.073 1.00 0.00 H new ATOM 0 HA SER A 35 -1.896 15.883 -1.123 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.414 15.167 -3.064 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.677 16.892 -2.898 1.00 0.00 H new ATOM 0 HG SER A 35 1.557 16.374 -3.249 1.00 0.00 H new ATOM 516 N ALA A 36 -0.005 14.376 0.720 1.00 0.00 N ATOM 517 CA ALA A 36 0.514 13.157 1.313 1.00 0.00 C ATOM 518 C ALA A 36 -0.592 12.292 1.899 1.00 0.00 C ATOM 519 O ALA A 36 -1.304 12.695 2.822 1.00 0.00 O ATOM 520 CB ALA A 36 1.548 13.488 2.381 1.00 0.00 C ATOM 0 H ALA A 36 0.019 15.186 1.340 1.00 0.00 H new ATOM 0 HA ALA A 36 0.990 12.584 0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.929 12.565 2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.371 14.043 1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.085 14.094 3.160 1.00 0.00 H new ATOM 526 N MET A 37 -0.740 11.112 1.334 1.00 0.00 N ATOM 527 CA MET A 37 -1.634 10.094 1.864 1.00 0.00 C ATOM 528 C MET A 37 -0.817 9.071 2.640 1.00 0.00 C ATOM 529 O MET A 37 0.321 8.769 2.280 1.00 0.00 O ATOM 530 CB MET A 37 -2.379 9.391 0.721 1.00 0.00 C ATOM 531 CG MET A 37 -3.194 10.315 -0.179 1.00 0.00 C ATOM 532 SD MET A 37 -4.901 10.552 0.380 1.00 0.00 S ATOM 533 CE MET A 37 -4.661 11.486 1.885 1.00 0.00 C ATOM 0 H MET A 37 -0.243 10.827 0.490 1.00 0.00 H new ATOM 0 HA MET A 37 -2.364 10.566 2.521 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.653 8.858 0.107 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.046 8.642 1.148 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.700 11.285 -0.232 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.205 9.907 -1.190 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.511 12.150 2.041 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.576 10.801 2.729 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.749 12.077 1.805 1.00 0.00 H new ATOM 543 N HIS A 38 -1.394 8.543 3.696 1.00 0.00 N ATOM 544 CA HIS A 38 -0.729 7.538 4.509 1.00 0.00 C ATOM 545 C HIS A 38 -1.487 6.234 4.425 1.00 0.00 C ATOM 546 O HIS A 38 -2.676 6.173 4.724 1.00 0.00 O ATOM 547 CB HIS A 38 -0.634 8.006 5.957 1.00 0.00 C ATOM 548 CG HIS A 38 -0.160 6.962 6.924 1.00 0.00 C ATOM 549 ND1 HIS A 38 -1.015 6.257 7.748 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.082 6.517 7.205 1.00 0.00 C ATOM 551 CE1 HIS A 38 -0.313 5.426 8.492 1.00 0.00 C ATOM 552 NE2 HIS A 38 0.962 5.561 8.184 1.00 0.00 N ATOM 0 H HIS A 38 -2.329 8.792 4.017 1.00 0.00 H new ATOM 0 HA HIS A 38 0.282 7.386 4.132 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.042 8.860 6.005 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.615 8.358 6.276 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.001 6.851 6.745 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.715 4.748 9.230 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.733 5.041 8.604 1.00 0.00 H new ATOM 561 N LEU A 39 -0.793 5.201 4.015 1.00 0.00 N ATOM 562 CA LEU A 39 -1.394 3.895 3.865 1.00 0.00 C ATOM 563 C LEU A 39 -0.716 2.892 4.780 1.00 0.00 C ATOM 564 O LEU A 39 0.506 2.741 4.750 1.00 0.00 O ATOM 565 CB LEU A 39 -1.301 3.412 2.415 1.00 0.00 C ATOM 566 CG LEU A 39 -2.302 4.034 1.433 1.00 0.00 C ATOM 567 CD1 LEU A 39 -1.906 5.457 1.064 1.00 0.00 C ATOM 568 CD2 LEU A 39 -2.422 3.172 0.188 1.00 0.00 C ATOM 0 H LEU A 39 0.198 5.239 3.777 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.446 3.978 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.293 3.611 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.436 2.330 2.404 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.274 4.079 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.636 5.869 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.877 6.071 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.921 5.451 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.135 3.625 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.449 3.095 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.768 2.177 0.467 1.00 0.00 H new ATOM 580 N ARG A 40 -1.504 2.239 5.614 1.00 0.00 N ATOM 581 CA ARG A 40 -1.010 1.134 6.414 1.00 0.00 C ATOM 582 C ARG A 40 -1.771 -0.135 6.060 1.00 0.00 C ATOM 583 O ARG A 40 -2.975 -0.242 6.301 1.00 0.00 O ATOM 584 CB ARG A 40 -1.130 1.411 7.916 1.00 0.00 C ATOM 585 CG ARG A 40 -0.819 0.182 8.747 1.00 0.00 C ATOM 586 CD ARG A 40 -1.051 0.400 10.231 1.00 0.00 C ATOM 587 NE ARG A 40 -0.908 -0.859 10.960 1.00 0.00 N ATOM 588 CZ ARG A 40 -0.188 -1.020 12.066 1.00 0.00 C ATOM 589 NH1 ARG A 40 0.398 0.018 12.646 1.00 0.00 N ATOM 590 NH2 ARG A 40 -0.065 -2.225 12.594 1.00 0.00 N ATOM 0 H ARG A 40 -2.491 2.455 5.755 1.00 0.00 H new ATOM 0 HA ARG A 40 0.049 1.009 6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.449 2.217 8.192 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.139 1.755 8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.438 -0.648 8.405 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.219 -0.107 8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.339 1.132 10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.048 0.810 10.393 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.397 -1.675 10.593 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.298 0.950 12.244 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.948 -0.115 13.494 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.521 -3.024 12.153 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.486 -2.356 13.442 1.00 0.00 H new ATOM 604 N PHE A 41 -1.073 -1.084 5.471 1.00 0.00 N ATOM 605 CA PHE A 41 -1.680 -2.347 5.106 1.00 0.00 C ATOM 606 C PHE A 41 -1.081 -3.475 5.937 1.00 0.00 C ATOM 607 O PHE A 41 0.059 -3.885 5.716 1.00 0.00 O ATOM 608 CB PHE A 41 -1.482 -2.620 3.613 1.00 0.00 C ATOM 609 CG PHE A 41 -2.154 -3.875 3.143 1.00 0.00 C ATOM 610 CD1 PHE A 41 -3.534 -3.936 3.027 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.406 -4.993 2.810 1.00 0.00 C ATOM 612 CE1 PHE A 41 -4.156 -5.087 2.589 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.021 -6.147 2.374 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.398 -6.195 2.264 1.00 0.00 C ATOM 0 H PHE A 41 -0.084 -1.004 5.235 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.750 -2.294 5.308 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.867 -1.775 3.042 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.415 -2.687 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.130 -3.072 3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.330 -4.960 2.893 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.232 -5.122 2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.428 -7.013 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.881 -7.099 1.924 1.00 0.00 H new ATOM 624 N ASP A 42 -1.844 -3.948 6.911 1.00 0.00 N ATOM 625 CA ASP A 42 -1.409 -5.056 7.750 1.00 0.00 C ATOM 626 C ASP A 42 -1.596 -6.375 7.015 1.00 0.00 C ATOM 627 O ASP A 42 -2.702 -6.903 6.949 1.00 0.00 O ATOM 628 CB ASP A 42 -2.192 -5.092 9.070 1.00 0.00 C ATOM 629 CG ASP A 42 -1.868 -3.935 9.994 1.00 0.00 C ATOM 630 OD1 ASP A 42 -2.236 -2.788 9.667 1.00 0.00 O ATOM 631 OD2 ASP A 42 -1.261 -4.170 11.064 1.00 0.00 O ATOM 0 H ASP A 42 -2.768 -3.582 7.140 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.353 -4.909 7.976 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.260 -5.084 8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.979 -6.029 9.585 1.00 0.00 H new ATOM 636 N ILE A 43 -0.513 -6.895 6.458 1.00 0.00 N ATOM 637 CA ILE A 43 -0.550 -8.166 5.748 1.00 0.00 C ATOM 638 C ILE A 43 -0.978 -9.277 6.696 1.00 0.00 C ATOM 639 O ILE A 43 -1.734 -10.173 6.328 1.00 0.00 O ATOM 640 CB ILE A 43 0.832 -8.518 5.151 1.00 0.00 C ATOM 641 CG1 ILE A 43 1.348 -7.366 4.286 1.00 0.00 C ATOM 642 CG2 ILE A 43 0.755 -9.803 4.337 1.00 0.00 C ATOM 643 CD1 ILE A 43 2.769 -7.562 3.805 1.00 0.00 C ATOM 0 H ILE A 43 0.407 -6.455 6.484 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.268 -8.070 4.933 1.00 0.00 H new ATOM 0 HB ILE A 43 1.531 -8.675 5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.693 -7.249 3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.291 -6.439 4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.738 -10.033 3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.430 -10.622 4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.042 -9.676 3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.069 -6.708 3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.435 -7.649 4.663 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.828 -8.471 3.206 1.00 0.00 H new ATOM 655 N ASN A 44 -0.499 -9.185 7.928 1.00 0.00 N ATOM 656 CA ASN A 44 -0.802 -10.168 8.958 1.00 0.00 C ATOM 657 C ASN A 44 -2.306 -10.319 9.165 1.00 0.00 C ATOM 658 O ASN A 44 -2.842 -11.425 9.106 1.00 0.00 O ATOM 659 CB ASN A 44 -0.155 -9.741 10.273 1.00 0.00 C ATOM 660 CG ASN A 44 -0.160 -10.845 11.312 1.00 0.00 C ATOM 661 OD1 ASN A 44 -1.115 -11.006 12.072 1.00 0.00 O ATOM 662 ND2 ASN A 44 0.922 -11.602 11.363 1.00 0.00 N ATOM 0 H ASN A 44 0.109 -8.429 8.241 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.405 -11.129 8.633 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.872 -9.430 10.084 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.683 -8.873 10.668 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.987 -12.353 12.050 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.692 -11.436 10.715 1.00 0.00 H new ATOM 669 N ALA A 45 -2.981 -9.198 9.378 1.00 0.00 N ATOM 670 CA ALA A 45 -4.379 -9.212 9.799 1.00 0.00 C ATOM 671 C ALA A 45 -5.354 -8.921 8.655 1.00 0.00 C ATOM 672 O ALA A 45 -6.528 -8.637 8.897 1.00 0.00 O ATOM 673 CB ALA A 45 -4.587 -8.212 10.927 1.00 0.00 C ATOM 0 H ALA A 45 -2.584 -8.265 9.267 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.596 -10.222 10.146 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.632 -8.226 11.238 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.953 -8.480 11.772 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.325 -7.212 10.580 1.00 0.00 H new ATOM 679 N SER A 46 -4.885 -8.987 7.417 1.00 0.00 N ATOM 680 CA SER A 46 -5.760 -8.763 6.271 1.00 0.00 C ATOM 681 C SER A 46 -6.263 -10.088 5.708 1.00 0.00 C ATOM 682 O SER A 46 -5.673 -11.144 5.956 1.00 0.00 O ATOM 683 CB SER A 46 -5.025 -7.968 5.194 1.00 0.00 C ATOM 684 OG SER A 46 -3.729 -8.490 4.976 1.00 0.00 O ATOM 0 H SER A 46 -3.914 -9.191 7.180 1.00 0.00 H new ATOM 0 HA SER A 46 -6.623 -8.186 6.603 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.594 -7.996 4.264 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.954 -6.922 5.493 1.00 0.00 H new ATOM 0 HG SER A 46 -3.123 -8.165 5.674 1.00 0.00 H new ATOM 690 N SER A 47 -7.341 -10.020 4.934 1.00 0.00 N ATOM 691 CA SER A 47 -7.964 -11.207 4.358 1.00 0.00 C ATOM 692 C SER A 47 -7.202 -11.718 3.126 1.00 0.00 C ATOM 693 O SER A 47 -7.803 -12.131 2.131 1.00 0.00 O ATOM 694 CB SER A 47 -9.422 -10.886 4.006 1.00 0.00 C ATOM 695 OG SER A 47 -9.538 -9.596 3.418 1.00 0.00 O ATOM 0 H SER A 47 -7.806 -9.146 4.689 1.00 0.00 H new ATOM 0 HA SER A 47 -7.932 -12.008 5.097 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.806 -11.638 3.317 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.035 -10.935 4.906 1.00 0.00 H new ATOM 0 HG SER A 47 -10.206 -9.072 3.907 1.00 0.00 H new ATOM 701 N LEU A 48 -5.876 -11.709 3.210 1.00 0.00 N ATOM 702 CA LEU A 48 -5.034 -12.237 2.150 1.00 0.00 C ATOM 703 C LEU A 48 -4.826 -13.735 2.329 1.00 0.00 C ATOM 704 O LEU A 48 -4.809 -14.231 3.457 1.00 0.00 O ATOM 705 CB LEU A 48 -3.675 -11.538 2.148 1.00 0.00 C ATOM 706 CG LEU A 48 -3.662 -10.107 1.618 1.00 0.00 C ATOM 707 CD1 LEU A 48 -2.264 -9.521 1.742 1.00 0.00 C ATOM 708 CD2 LEU A 48 -4.120 -10.077 0.169 1.00 0.00 C ATOM 0 H LEU A 48 -5.361 -11.338 4.009 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.536 -12.054 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.290 -11.531 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.983 -12.132 1.551 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.351 -9.505 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.263 -8.499 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.962 -9.519 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.564 -10.124 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.106 -9.050 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.450 -10.687 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.133 -10.473 0.099 1.00 0.00 H new ATOM 720 N PRO A 49 -4.682 -14.473 1.221 1.00 0.00 N ATOM 721 CA PRO A 49 -4.336 -15.894 1.263 1.00 0.00 C ATOM 722 C PRO A 49 -2.896 -16.107 1.743 1.00 0.00 C ATOM 723 O PRO A 49 -1.999 -15.329 1.398 1.00 0.00 O ATOM 724 CB PRO A 49 -4.494 -16.357 -0.195 1.00 0.00 C ATOM 725 CG PRO A 49 -5.240 -15.260 -0.880 1.00 0.00 C ATOM 726 CD PRO A 49 -4.870 -14.003 -0.154 1.00 0.00 C ATOM 0 HA PRO A 49 -4.965 -16.450 1.958 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.523 -16.523 -0.662 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.040 -17.299 -0.251 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.966 -15.199 -1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.315 -15.433 -0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.962 -13.554 -0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.655 -13.250 -0.221 1.00 0.00 H new ATOM 734 N PRO A 50 -2.662 -17.160 2.545 1.00 0.00 N ATOM 735 CA PRO A 50 -1.344 -17.459 3.125 1.00 0.00 C ATOM 736 C PRO A 50 -0.219 -17.490 2.091 1.00 0.00 C ATOM 737 O PRO A 50 0.887 -17.021 2.362 1.00 0.00 O ATOM 738 CB PRO A 50 -1.535 -18.846 3.736 1.00 0.00 C ATOM 739 CG PRO A 50 -2.989 -18.925 4.041 1.00 0.00 C ATOM 740 CD PRO A 50 -3.681 -18.145 2.961 1.00 0.00 C ATOM 0 HA PRO A 50 -1.042 -16.690 3.836 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.232 -19.630 3.042 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.934 -18.969 4.637 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.329 -19.960 4.054 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.205 -18.506 5.024 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.982 -18.786 2.132 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.583 -17.658 3.332 1.00 0.00 H new ATOM 748 N PHE A 51 -0.513 -18.031 0.910 1.00 0.00 N ATOM 749 CA PHE A 51 0.472 -18.128 -0.169 1.00 0.00 C ATOM 750 C PHE A 51 1.096 -16.768 -0.473 1.00 0.00 C ATOM 751 O PHE A 51 2.321 -16.628 -0.527 1.00 0.00 O ATOM 752 CB PHE A 51 -0.182 -18.682 -1.438 1.00 0.00 C ATOM 753 CG PHE A 51 0.753 -18.766 -2.613 1.00 0.00 C ATOM 754 CD1 PHE A 51 1.722 -19.755 -2.674 1.00 0.00 C ATOM 755 CD2 PHE A 51 0.663 -17.857 -3.656 1.00 0.00 C ATOM 756 CE1 PHE A 51 2.584 -19.833 -3.751 1.00 0.00 C ATOM 757 CE2 PHE A 51 1.522 -17.931 -4.736 1.00 0.00 C ATOM 758 CZ PHE A 51 2.485 -18.920 -4.783 1.00 0.00 C ATOM 0 H PHE A 51 -1.430 -18.411 0.674 1.00 0.00 H new ATOM 0 HA PHE A 51 1.259 -18.806 0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.578 -19.676 -1.228 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.030 -18.051 -1.704 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.804 -20.473 -1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.088 -17.081 -3.624 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.335 -20.608 -3.786 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.440 -17.217 -5.542 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.159 -18.979 -5.625 1.00 0.00 H new ATOM 768 N TYR A 52 0.244 -15.772 -0.666 1.00 0.00 N ATOM 769 CA TYR A 52 0.688 -14.441 -1.022 1.00 0.00 C ATOM 770 C TYR A 52 1.347 -13.744 0.160 1.00 0.00 C ATOM 771 O TYR A 52 2.272 -12.953 -0.021 1.00 0.00 O ATOM 772 CB TYR A 52 -0.493 -13.633 -1.549 1.00 0.00 C ATOM 773 CG TYR A 52 -1.047 -14.174 -2.850 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.301 -14.107 -4.021 1.00 0.00 C ATOM 775 CD2 TYR A 52 -2.301 -14.764 -2.907 1.00 0.00 C ATOM 776 CE1 TYR A 52 -0.792 -14.613 -5.212 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.798 -15.276 -4.093 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.040 -15.194 -5.243 1.00 0.00 C ATOM 779 OH TYR A 52 -2.526 -15.709 -6.427 1.00 0.00 O ATOM 0 H TYR A 52 -0.768 -15.867 -0.580 1.00 0.00 H new ATOM 0 HA TYR A 52 1.440 -14.520 -1.807 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.284 -13.625 -0.799 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.182 -12.599 -1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.678 -13.652 -4.001 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.900 -14.825 -2.010 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.199 -14.552 -6.113 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.774 -15.737 -4.118 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.419 -16.084 -6.278 1.00 0.00 H new ATOM 789 N LYS A 53 0.890 -14.053 1.368 1.00 0.00 N ATOM 790 CA LYS A 53 1.504 -13.501 2.570 1.00 0.00 C ATOM 791 C LYS A 53 2.945 -13.994 2.692 1.00 0.00 C ATOM 792 O LYS A 53 3.843 -13.235 3.056 1.00 0.00 O ATOM 793 CB LYS A 53 0.712 -13.878 3.829 1.00 0.00 C ATOM 794 CG LYS A 53 -0.690 -13.290 3.881 1.00 0.00 C ATOM 795 CD LYS A 53 -1.323 -13.474 5.255 1.00 0.00 C ATOM 796 CE LYS A 53 -2.723 -12.876 5.313 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.294 -12.919 6.688 1.00 0.00 N ATOM 0 H LYS A 53 0.103 -14.678 1.541 1.00 0.00 H new ATOM 0 HA LYS A 53 1.497 -12.415 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.641 -14.964 3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.266 -13.546 4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.650 -12.228 3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.314 -13.767 3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.370 -14.536 5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.695 -13.004 6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.690 -11.843 4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.378 -13.420 4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.260 -12.533 6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.319 -13.903 7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.703 -12.350 7.327 1.00 0.00 H new ATOM 811 N GLU A 54 3.150 -15.266 2.366 1.00 0.00 N ATOM 812 CA GLU A 54 4.479 -15.873 2.393 1.00 0.00 C ATOM 813 C GLU A 54 5.439 -15.168 1.442 1.00 0.00 C ATOM 814 O GLU A 54 6.563 -14.851 1.818 1.00 0.00 O ATOM 815 CB GLU A 54 4.388 -17.354 2.024 1.00 0.00 C ATOM 816 CG GLU A 54 3.857 -18.234 3.140 1.00 0.00 C ATOM 817 CD GLU A 54 4.902 -18.522 4.198 1.00 0.00 C ATOM 818 OE1 GLU A 54 5.012 -17.745 5.168 1.00 0.00 O ATOM 819 OE2 GLU A 54 5.611 -19.544 4.072 1.00 0.00 O ATOM 0 H GLU A 54 2.407 -15.902 2.078 1.00 0.00 H new ATOM 0 HA GLU A 54 4.868 -15.769 3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.744 -17.462 1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.378 -17.708 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.999 -17.748 3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.502 -19.175 2.719 1.00 0.00 H new ATOM 826 N ARG A 55 4.994 -14.919 0.215 1.00 0.00 N ATOM 827 CA ARG A 55 5.846 -14.287 -0.793 1.00 0.00 C ATOM 828 C ARG A 55 6.219 -12.862 -0.404 1.00 0.00 C ATOM 829 O ARG A 55 7.325 -12.407 -0.688 1.00 0.00 O ATOM 830 CB ARG A 55 5.170 -14.305 -2.164 1.00 0.00 C ATOM 831 CG ARG A 55 5.576 -15.498 -3.011 1.00 0.00 C ATOM 832 CD ARG A 55 7.047 -15.420 -3.394 1.00 0.00 C ATOM 833 NE ARG A 55 7.507 -16.624 -4.084 1.00 0.00 N ATOM 834 CZ ARG A 55 8.747 -16.794 -4.552 1.00 0.00 C ATOM 835 NH1 ARG A 55 9.642 -15.822 -4.458 1.00 0.00 N ATOM 836 NH2 ARG A 55 9.080 -17.942 -5.130 1.00 0.00 N ATOM 0 H ARG A 55 4.053 -15.143 -0.107 1.00 0.00 H new ATOM 0 HA ARG A 55 6.767 -14.868 -0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.088 -14.313 -2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.418 -13.387 -2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.388 -16.420 -2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.963 -15.534 -3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.207 -14.553 -4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.646 -15.268 -2.496 1.00 0.00 H new ATOM 0 HE ARG A 55 6.839 -17.383 -4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.387 -14.934 -4.025 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.586 -15.961 -4.818 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.391 -18.689 -5.215 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.025 -18.077 -5.489 1.00 0.00 H new ATOM 850 N LEU A 56 5.299 -12.166 0.249 1.00 0.00 N ATOM 851 CA LEU A 56 5.564 -10.820 0.746 1.00 0.00 C ATOM 852 C LEU A 56 6.611 -10.861 1.856 1.00 0.00 C ATOM 853 O LEU A 56 7.550 -10.072 1.871 1.00 0.00 O ATOM 854 CB LEU A 56 4.269 -10.184 1.260 1.00 0.00 C ATOM 855 CG LEU A 56 3.233 -9.859 0.179 1.00 0.00 C ATOM 856 CD1 LEU A 56 1.915 -9.434 0.806 1.00 0.00 C ATOM 857 CD2 LEU A 56 3.754 -8.768 -0.743 1.00 0.00 C ATOM 0 H LEU A 56 4.360 -12.511 0.448 1.00 0.00 H new ATOM 0 HA LEU A 56 5.951 -10.214 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.815 -10.858 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.519 -9.265 1.790 1.00 0.00 H new ATOM 0 HG LEU A 56 3.059 -10.760 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.194 -9.208 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.531 -10.242 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.073 -8.547 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.007 -8.548 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.956 -7.867 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.673 -9.105 -1.222 1.00 0.00 H new ATOM 869 N LEU A 57 6.445 -11.804 2.770 1.00 0.00 N ATOM 870 CA LEU A 57 7.377 -12.002 3.863 1.00 0.00 C ATOM 871 C LEU A 57 8.712 -12.567 3.370 1.00 0.00 C ATOM 872 O LEU A 57 9.721 -12.524 4.073 1.00 0.00 O ATOM 873 CB LEU A 57 6.754 -12.960 4.871 1.00 0.00 C ATOM 874 CG LEU A 57 5.655 -12.362 5.753 1.00 0.00 C ATOM 875 CD1 LEU A 57 5.074 -13.423 6.677 1.00 0.00 C ATOM 876 CD2 LEU A 57 6.200 -11.193 6.562 1.00 0.00 C ATOM 0 H LEU A 57 5.658 -12.453 2.773 1.00 0.00 H new ATOM 0 HA LEU A 57 7.578 -11.037 4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.339 -13.811 4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.544 -13.346 5.516 1.00 0.00 H new ATOM 0 HG LEU A 57 4.858 -11.995 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.294 -12.979 7.296 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.648 -14.231 6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.863 -13.820 7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.406 -10.779 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.015 -11.539 7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.569 -10.423 5.885 1.00 0.00 H new ATOM 888 N ALA A 58 8.699 -13.115 2.165 1.00 0.00 N ATOM 889 CA ALA A 58 9.895 -13.688 1.564 1.00 0.00 C ATOM 890 C ALA A 58 10.641 -12.661 0.720 1.00 0.00 C ATOM 891 O ALA A 58 11.628 -12.993 0.060 1.00 0.00 O ATOM 892 CB ALA A 58 9.534 -14.901 0.716 1.00 0.00 C ATOM 0 H ALA A 58 7.866 -13.175 1.579 1.00 0.00 H new ATOM 0 HA ALA A 58 10.555 -14.002 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.439 -15.318 0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.056 -15.654 1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.848 -14.600 -0.076 1.00 0.00 H new ATOM 898 N LEU A 59 10.181 -11.414 0.748 1.00 0.00 N ATOM 899 CA LEU A 59 10.803 -10.367 0.004 1.00 0.00 C ATOM 900 C LEU A 59 11.967 -9.789 0.790 1.00 0.00 C ATOM 901 O LEU A 59 11.985 -9.835 2.017 1.00 0.00 O ATOM 902 CB LEU A 59 9.769 -9.293 -0.298 1.00 0.00 C ATOM 903 CG LEU A 59 8.912 -9.524 -1.543 1.00 0.00 C ATOM 904 CD1 LEU A 59 7.941 -8.371 -1.737 1.00 0.00 C ATOM 905 CD2 LEU A 59 9.793 -9.688 -2.770 1.00 0.00 C ATOM 0 H LEU A 59 9.369 -11.119 1.290 1.00 0.00 H new ATOM 0 HA LEU A 59 11.193 -10.761 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.107 -9.200 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.285 -8.339 -0.407 1.00 0.00 H new ATOM 0 HG LEU A 59 8.339 -10.441 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.338 -8.549 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.290 -8.294 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.499 -7.442 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.168 -9.852 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.390 -8.787 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.454 -10.543 -2.631 1.00 0.00 H new ATOM 917 N ASN A 60 12.930 -9.248 0.076 1.00 0.00 N ATOM 918 CA ASN A 60 14.126 -8.694 0.692 1.00 0.00 C ATOM 919 C ASN A 60 13.970 -7.188 0.857 1.00 0.00 C ATOM 920 O ASN A 60 14.935 -6.461 1.094 1.00 0.00 O ATOM 921 CB ASN A 60 15.343 -9.027 -0.173 1.00 0.00 C ATOM 922 CG ASN A 60 16.660 -8.868 0.567 1.00 0.00 C ATOM 923 OD1 ASN A 60 17.308 -7.824 0.499 1.00 0.00 O ATOM 924 ND2 ASN A 60 17.062 -9.910 1.278 1.00 0.00 N ATOM 0 H ASN A 60 12.911 -9.178 -0.941 1.00 0.00 H new ATOM 0 HA ASN A 60 14.271 -9.132 1.680 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.256 -10.052 -0.533 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.346 -8.381 -1.051 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.939 -9.866 1.796 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.494 -10.757 1.307 1.00 0.00 H new ATOM 931 N ASP A 61 12.732 -6.735 0.746 1.00 0.00 N ATOM 932 CA ASP A 61 12.436 -5.313 0.756 1.00 0.00 C ATOM 933 C ASP A 61 12.337 -4.799 2.185 1.00 0.00 C ATOM 934 O ASP A 61 11.693 -5.406 3.036 1.00 0.00 O ATOM 935 CB ASP A 61 11.147 -5.030 -0.014 1.00 0.00 C ATOM 936 CG ASP A 61 10.894 -3.547 -0.171 1.00 0.00 C ATOM 937 OD1 ASP A 61 10.378 -2.933 0.775 1.00 0.00 O ATOM 938 OD2 ASP A 61 11.215 -2.989 -1.242 1.00 0.00 O ATOM 0 H ASP A 61 11.913 -7.335 0.648 1.00 0.00 H new ATOM 0 HA ASP A 61 13.251 -4.786 0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.204 -5.494 -0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.306 -5.488 0.506 1.00 0.00 H new ATOM 943 N SER A 62 12.983 -3.675 2.433 1.00 0.00 N ATOM 944 CA SER A 62 13.122 -3.147 3.783 1.00 0.00 C ATOM 945 C SER A 62 11.915 -2.319 4.228 1.00 0.00 C ATOM 946 O SER A 62 11.871 -1.862 5.373 1.00 0.00 O ATOM 947 CB SER A 62 14.399 -2.304 3.891 1.00 0.00 C ATOM 948 OG SER A 62 14.634 -1.899 5.230 1.00 0.00 O ATOM 0 H SER A 62 13.424 -3.104 1.712 1.00 0.00 H new ATOM 0 HA SER A 62 13.183 -4.006 4.451 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.250 -2.880 3.528 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.313 -1.425 3.252 1.00 0.00 H new ATOM 0 HG SER A 62 13.784 -1.870 5.717 1.00 0.00 H new ATOM 954 N ARG A 63 10.941 -2.112 3.350 1.00 0.00 N ATOM 955 CA ARG A 63 9.739 -1.384 3.743 1.00 0.00 C ATOM 956 C ARG A 63 8.748 -2.363 4.353 1.00 0.00 C ATOM 957 O ARG A 63 7.780 -1.976 5.012 1.00 0.00 O ATOM 958 CB ARG A 63 9.123 -0.646 2.547 1.00 0.00 C ATOM 959 CG ARG A 63 7.987 -1.392 1.859 1.00 0.00 C ATOM 960 CD ARG A 63 7.710 -0.821 0.481 1.00 0.00 C ATOM 961 NE ARG A 63 8.799 -1.113 -0.445 1.00 0.00 N ATOM 962 CZ ARG A 63 9.038 -0.442 -1.568 1.00 0.00 C ATOM 963 NH1 ARG A 63 8.362 0.671 -1.847 1.00 0.00 N ATOM 964 NH2 ARG A 63 9.992 -0.863 -2.386 1.00 0.00 N ATOM 0 H ARG A 63 10.956 -2.430 2.381 1.00 0.00 H new ATOM 0 HA ARG A 63 10.001 -0.628 4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.752 0.322 2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.907 -0.449 1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.242 -2.448 1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.086 -1.330 2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.780 -1.236 0.094 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.571 0.258 0.554 1.00 0.00 H new ATOM 0 HE ARG A 63 9.422 -1.887 -0.215 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.655 1.015 -1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.551 1.180 -2.711 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.535 -1.694 -2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.184 -0.356 -3.250 1.00 0.00 H new ATOM 978 N ILE A 64 9.010 -3.641 4.123 1.00 0.00 N ATOM 979 CA ILE A 64 8.218 -4.708 4.697 1.00 0.00 C ATOM 980 C ILE A 64 8.664 -4.962 6.131 1.00 0.00 C ATOM 981 O ILE A 64 9.756 -5.473 6.376 1.00 0.00 O ATOM 982 CB ILE A 64 8.338 -5.997 3.858 1.00 0.00 C ATOM 983 CG1 ILE A 64 7.893 -5.717 2.419 1.00 0.00 C ATOM 984 CG2 ILE A 64 7.497 -7.111 4.466 1.00 0.00 C ATOM 985 CD1 ILE A 64 8.010 -6.907 1.502 1.00 0.00 C ATOM 0 H ILE A 64 9.778 -3.963 3.533 1.00 0.00 H new ATOM 0 HA ILE A 64 7.171 -4.405 4.696 1.00 0.00 H new ATOM 0 HB ILE A 64 9.379 -6.321 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.857 -5.378 2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.492 -4.900 2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.594 -8.012 3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.842 -7.316 5.479 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.452 -6.804 4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.677 -6.630 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.049 -7.234 1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.389 -7.720 1.879 1.00 0.00 H new ATOM 997 N THR A 65 7.828 -4.572 7.076 1.00 0.00 N ATOM 998 CA THR A 65 8.171 -4.674 8.482 1.00 0.00 C ATOM 999 C THR A 65 8.059 -6.110 8.975 1.00 0.00 C ATOM 1000 O THR A 65 7.328 -6.920 8.398 1.00 0.00 O ATOM 1001 CB THR A 65 7.269 -3.765 9.335 1.00 0.00 C ATOM 1002 OG1 THR A 65 5.895 -4.070 9.081 1.00 0.00 O ATOM 1003 CG2 THR A 65 7.530 -2.297 9.025 1.00 0.00 C ATOM 0 H THR A 65 6.904 -4.181 6.894 1.00 0.00 H new ATOM 0 HA THR A 65 9.206 -4.348 8.587 1.00 0.00 H new ATOM 0 HB THR A 65 7.497 -3.945 10.386 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.547 -3.463 8.395 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.881 -1.674 9.640 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.572 -2.059 9.241 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.325 -2.105 7.972 1.00 0.00 H new ATOM 1011 N SER A 66 8.773 -6.416 10.051 1.00 0.00 N ATOM 1012 CA SER A 66 8.794 -7.756 10.620 1.00 0.00 C ATOM 1013 C SER A 66 7.401 -8.180 11.091 1.00 0.00 C ATOM 1014 O SER A 66 7.079 -9.373 11.133 1.00 0.00 O ATOM 1015 CB SER A 66 9.789 -7.795 11.782 1.00 0.00 C ATOM 1016 OG SER A 66 11.039 -7.241 11.390 1.00 0.00 O ATOM 0 H SER A 66 9.353 -5.743 10.552 1.00 0.00 H new ATOM 0 HA SER A 66 9.107 -8.460 9.849 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.388 -7.239 12.630 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.929 -8.824 12.113 1.00 0.00 H new ATOM 0 HG SER A 66 11.662 -7.273 12.146 1.00 0.00 H new ATOM 1022 N ASP A 67 6.567 -7.197 11.423 1.00 0.00 N ATOM 1023 CA ASP A 67 5.197 -7.463 11.856 1.00 0.00 C ATOM 1024 C ASP A 67 4.328 -7.883 10.680 1.00 0.00 C ATOM 1025 O ASP A 67 3.233 -8.408 10.866 1.00 0.00 O ATOM 1026 CB ASP A 67 4.578 -6.230 12.522 1.00 0.00 C ATOM 1027 CG ASP A 67 5.208 -5.906 13.858 1.00 0.00 C ATOM 1028 OD1 ASP A 67 4.972 -6.656 14.829 1.00 0.00 O ATOM 1029 OD2 ASP A 67 5.937 -4.896 13.946 1.00 0.00 O ATOM 0 H ASP A 67 6.816 -6.208 11.400 1.00 0.00 H new ATOM 0 HA ASP A 67 5.240 -8.275 12.581 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.685 -5.372 11.858 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.510 -6.395 12.660 1.00 0.00 H new ATOM 1034 N GLY A 68 4.821 -7.649 9.472 1.00 0.00 N ATOM 1035 CA GLY A 68 4.036 -7.927 8.289 1.00 0.00 C ATOM 1036 C GLY A 68 3.097 -6.789 7.969 1.00 0.00 C ATOM 1037 O GLY A 68 1.933 -7.005 7.642 1.00 0.00 O ATOM 0 H GLY A 68 5.751 -7.271 9.291 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.700 -8.101 7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.463 -8.842 8.438 1.00 0.00 H new ATOM 1041 N VAL A 69 3.597 -5.568 8.090 1.00 0.00 N ATOM 1042 CA VAL A 69 2.798 -4.383 7.819 1.00 0.00 C ATOM 1043 C VAL A 69 3.474 -3.513 6.764 1.00 0.00 C ATOM 1044 O VAL A 69 4.673 -3.233 6.849 1.00 0.00 O ATOM 1045 CB VAL A 69 2.576 -3.545 9.096 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.660 -2.363 8.816 1.00 0.00 C ATOM 1047 CG2 VAL A 69 2.017 -4.401 10.219 1.00 0.00 C ATOM 0 H VAL A 69 4.556 -5.372 8.375 1.00 0.00 H new ATOM 0 HA VAL A 69 1.830 -4.724 7.452 1.00 0.00 H new ATOM 0 HB VAL A 69 3.544 -3.159 9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.519 -1.788 9.731 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.109 -1.727 8.053 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.695 -2.726 8.463 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.870 -3.786 11.107 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.062 -4.827 9.911 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.717 -5.205 10.446 1.00 0.00 H new ATOM 1057 N ILE A 70 2.707 -3.092 5.773 1.00 0.00 N ATOM 1058 CA ILE A 70 3.221 -2.225 4.726 1.00 0.00 C ATOM 1059 C ILE A 70 2.769 -0.791 4.968 1.00 0.00 C ATOM 1060 O ILE A 70 1.574 -0.496 4.951 1.00 0.00 O ATOM 1061 CB ILE A 70 2.756 -2.684 3.327 1.00 0.00 C ATOM 1062 CG1 ILE A 70 3.247 -4.104 3.041 1.00 0.00 C ATOM 1063 CG2 ILE A 70 3.260 -1.728 2.252 1.00 0.00 C ATOM 1064 CD1 ILE A 70 4.753 -4.226 3.050 1.00 0.00 C ATOM 0 H ILE A 70 1.722 -3.338 5.671 1.00 0.00 H new ATOM 0 HA ILE A 70 4.309 -2.280 4.757 1.00 0.00 H new ATOM 0 HB ILE A 70 1.666 -2.679 3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.829 -4.783 3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.869 -4.424 2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.921 -2.069 1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.870 -0.728 2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.350 -1.702 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.036 -5.258 2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.176 -3.572 2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.136 -3.937 4.029 1.00 0.00 H new ATOM 1076 N VAL A 71 3.726 0.086 5.221 1.00 0.00 N ATOM 1077 CA VAL A 71 3.432 1.492 5.450 1.00 0.00 C ATOM 1078 C VAL A 71 3.934 2.327 4.283 1.00 0.00 C ATOM 1079 O VAL A 71 5.103 2.238 3.903 1.00 0.00 O ATOM 1080 CB VAL A 71 4.081 2.011 6.751 1.00 0.00 C ATOM 1081 CG1 VAL A 71 3.700 3.462 7.002 1.00 0.00 C ATOM 1082 CG2 VAL A 71 3.694 1.139 7.937 1.00 0.00 C ATOM 0 H VAL A 71 4.717 -0.151 5.273 1.00 0.00 H new ATOM 0 HA VAL A 71 2.350 1.584 5.544 1.00 0.00 H new ATOM 0 HB VAL A 71 5.163 1.959 6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.168 3.807 7.924 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.041 4.077 6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.617 3.543 7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.164 1.525 8.841 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.611 1.149 8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.030 0.117 7.762 1.00 0.00 H new ATOM 1092 N LEU A 72 3.047 3.122 3.709 1.00 0.00 N ATOM 1093 CA LEU A 72 3.403 3.966 2.585 1.00 0.00 C ATOM 1094 C LEU A 72 3.055 5.415 2.864 1.00 0.00 C ATOM 1095 O LEU A 72 2.189 5.724 3.687 1.00 0.00 O ATOM 1096 CB LEU A 72 2.688 3.540 1.295 1.00 0.00 C ATOM 1097 CG LEU A 72 2.778 2.059 0.929 1.00 0.00 C ATOM 1098 CD1 LEU A 72 1.689 1.259 1.632 1.00 0.00 C ATOM 1099 CD2 LEU A 72 2.684 1.880 -0.580 1.00 0.00 C ATOM 0 H LEU A 72 2.074 3.200 4.005 1.00 0.00 H new ATOM 0 HA LEU A 72 4.479 3.856 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.635 3.807 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.097 4.122 0.469 1.00 0.00 H new ATOM 0 HG LEU A 72 3.744 1.682 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.774 0.208 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.802 1.361 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.711 1.635 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.750 0.820 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.733 2.276 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.502 2.415 -1.062 1.00 0.00 H new ATOM 1111 N LYS A 73 3.738 6.288 2.155 1.00 0.00 N ATOM 1112 CA LYS A 73 3.435 7.705 2.161 1.00 0.00 C ATOM 1113 C LYS A 73 3.331 8.178 0.731 1.00 0.00 C ATOM 1114 O LYS A 73 4.337 8.326 0.035 1.00 0.00 O ATOM 1115 CB LYS A 73 4.506 8.520 2.871 1.00 0.00 C ATOM 1116 CG LYS A 73 4.660 8.233 4.355 1.00 0.00 C ATOM 1117 CD LYS A 73 5.657 9.187 4.986 1.00 0.00 C ATOM 1118 CE LYS A 73 5.747 9.010 6.491 1.00 0.00 C ATOM 1119 NZ LYS A 73 6.685 9.986 7.102 1.00 0.00 N ATOM 0 H LYS A 73 4.523 6.035 1.555 1.00 0.00 H new ATOM 0 HA LYS A 73 2.498 7.848 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.463 8.338 2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.279 9.578 2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.694 8.328 4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.992 7.205 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.640 9.027 4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.369 10.213 4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.757 9.131 6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.076 7.996 6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.721 9.836 8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.635 9.854 6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.357 10.953 6.905 1.00 0.00 H new ATOM 1133 N ALA A 74 2.119 8.398 0.290 1.00 0.00 N ATOM 1134 CA ALA A 74 1.883 8.815 -1.072 1.00 0.00 C ATOM 1135 C ALA A 74 1.946 10.326 -1.167 1.00 0.00 C ATOM 1136 O ALA A 74 0.996 11.020 -0.814 1.00 0.00 O ATOM 1137 CB ALA A 74 0.539 8.293 -1.566 1.00 0.00 C ATOM 0 H ALA A 74 1.276 8.295 0.855 1.00 0.00 H new ATOM 0 HA ALA A 74 2.660 8.395 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.378 8.617 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.534 7.204 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.258 8.684 -0.934 1.00 0.00 H new ATOM 1143 N GLN A 75 3.078 10.821 -1.623 1.00 0.00 N ATOM 1144 CA GLN A 75 3.266 12.241 -1.843 1.00 0.00 C ATOM 1145 C GLN A 75 4.187 12.427 -3.034 1.00 0.00 C ATOM 1146 O GLN A 75 5.384 12.680 -2.885 1.00 0.00 O ATOM 1147 CB GLN A 75 3.848 12.929 -0.600 1.00 0.00 C ATOM 1148 CG GLN A 75 3.938 14.444 -0.731 1.00 0.00 C ATOM 1149 CD GLN A 75 4.606 15.109 0.457 1.00 0.00 C ATOM 1150 OE1 GLN A 75 5.538 14.412 1.085 1.00 0.00 O flip ATOM 1151 NE2 GLN A 75 4.295 16.250 0.802 1.00 0.00 N flip ATOM 0 H GLN A 75 3.893 10.252 -1.851 1.00 0.00 H new ATOM 0 HA GLN A 75 2.299 12.703 -2.042 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.231 12.683 0.264 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.843 12.529 -0.405 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.492 14.691 -1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.934 14.852 -0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.571 16.757 0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.762 16.688 1.596 1.00 0.00 H new ATOM 1160 N GLN A 76 3.632 12.226 -4.214 1.00 0.00 N ATOM 1161 CA GLN A 76 4.396 12.322 -5.443 1.00 0.00 C ATOM 1162 C GLN A 76 3.555 12.990 -6.521 1.00 0.00 C ATOM 1163 O GLN A 76 4.062 13.763 -7.333 1.00 0.00 O ATOM 1164 CB GLN A 76 4.841 10.932 -5.903 1.00 0.00 C ATOM 1165 CG GLN A 76 5.959 10.961 -6.933 1.00 0.00 C ATOM 1166 CD GLN A 76 6.358 9.577 -7.410 1.00 0.00 C ATOM 1167 OE1 GLN A 76 5.396 8.670 -7.487 1.00 0.00 O flip ATOM 1168 NE2 GLN A 76 7.521 9.331 -7.725 1.00 0.00 N flip ATOM 0 H GLN A 76 2.648 11.994 -4.348 1.00 0.00 H new ATOM 0 HA GLN A 76 5.285 12.926 -5.261 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.172 10.360 -5.036 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.984 10.406 -6.324 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.643 11.558 -7.789 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.829 11.457 -6.503 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.234 10.057 -7.652 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.773 8.401 -8.060 1.00 0.00 H new ATOM 1177 N TYR A 77 2.266 12.681 -6.525 1.00 0.00 N ATOM 1178 CA TYR A 77 1.343 13.297 -7.460 1.00 0.00 C ATOM 1179 C TYR A 77 0.885 14.646 -6.922 1.00 0.00 C ATOM 1180 O TYR A 77 1.051 14.942 -5.735 1.00 0.00 O ATOM 1181 CB TYR A 77 0.138 12.387 -7.699 1.00 0.00 C ATOM 1182 CG TYR A 77 -0.158 12.123 -9.161 1.00 0.00 C ATOM 1183 CD1 TYR A 77 -0.827 13.060 -9.936 1.00 0.00 C ATOM 1184 CD2 TYR A 77 0.225 10.931 -9.759 1.00 0.00 C ATOM 1185 CE1 TYR A 77 -1.106 12.816 -11.266 1.00 0.00 C ATOM 1186 CE2 TYR A 77 -0.048 10.679 -11.088 1.00 0.00 C ATOM 1187 CZ TYR A 77 -0.714 11.623 -11.838 1.00 0.00 C ATOM 1188 OH TYR A 77 -0.992 11.369 -13.162 1.00 0.00 O ATOM 0 H TYR A 77 1.838 12.007 -5.890 1.00 0.00 H new ATOM 0 HA TYR A 77 1.855 13.448 -8.410 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.310 11.435 -7.197 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.741 12.837 -7.237 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.134 13.995 -9.492 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.746 10.187 -9.174 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.628 13.555 -11.856 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.259 9.746 -11.538 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.646 10.485 -13.405 1.00 0.00 H new ATOM 1198 N ARG A 78 0.303 15.444 -7.799 1.00 0.00 N ATOM 1199 CA ARG A 78 -0.098 16.804 -7.467 1.00 0.00 C ATOM 1200 C ARG A 78 -1.260 16.825 -6.465 1.00 0.00 C ATOM 1201 O ARG A 78 -1.279 17.648 -5.553 1.00 0.00 O ATOM 1202 CB ARG A 78 -0.460 17.550 -8.759 1.00 0.00 C ATOM 1203 CG ARG A 78 -0.578 19.062 -8.614 1.00 0.00 C ATOM 1204 CD ARG A 78 -1.955 19.487 -8.139 1.00 0.00 C ATOM 1205 NE ARG A 78 -2.093 20.941 -8.089 1.00 0.00 N ATOM 1206 CZ ARG A 78 -3.201 21.596 -8.421 1.00 0.00 C ATOM 1207 NH1 ARG A 78 -4.263 20.929 -8.864 1.00 0.00 N ATOM 1208 NH2 ARG A 78 -3.242 22.919 -8.324 1.00 0.00 N ATOM 0 H ARG A 78 0.094 15.171 -8.759 1.00 0.00 H new ATOM 0 HA ARG A 78 0.737 17.309 -6.982 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.296 17.330 -9.513 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.407 17.160 -9.133 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.173 19.417 -7.909 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.364 19.535 -9.573 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.712 19.074 -8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.141 19.071 -7.149 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.289 21.487 -7.780 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.228 19.913 -8.949 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.112 21.433 -9.118 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.424 23.432 -7.995 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.092 23.423 -8.578 1.00 0.00 H new ATOM 1222 N THR A 79 -2.221 15.926 -6.629 1.00 0.00 N ATOM 1223 CA THR A 79 -3.393 15.905 -5.762 1.00 0.00 C ATOM 1224 C THR A 79 -3.431 14.644 -4.902 1.00 0.00 C ATOM 1225 O THR A 79 -2.923 13.593 -5.301 1.00 0.00 O ATOM 1226 CB THR A 79 -4.690 15.995 -6.587 1.00 0.00 C ATOM 1227 OG1 THR A 79 -4.668 15.014 -7.634 1.00 0.00 O ATOM 1228 CG2 THR A 79 -4.862 17.382 -7.183 1.00 0.00 C ATOM 0 H THR A 79 -2.213 15.205 -7.350 1.00 0.00 H new ATOM 0 HA THR A 79 -3.320 16.774 -5.108 1.00 0.00 H new ATOM 0 HB THR A 79 -5.533 15.802 -5.923 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.496 15.073 -8.155 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.786 17.418 -7.761 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.906 18.119 -6.382 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.018 17.605 -7.835 1.00 0.00 H new ATOM 1236 N GLN A 80 -4.052 14.756 -3.729 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.190 13.626 -2.807 1.00 0.00 C ATOM 1238 C GLN A 80 -4.986 12.510 -3.469 1.00 0.00 C ATOM 1239 O GLN A 80 -4.700 11.332 -3.279 1.00 0.00 O ATOM 1240 CB GLN A 80 -4.905 14.057 -1.518 1.00 0.00 C ATOM 1241 CG GLN A 80 -4.220 15.193 -0.775 1.00 0.00 C ATOM 1242 CD GLN A 80 -4.957 15.597 0.486 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -5.850 16.444 0.454 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -4.581 15.007 1.610 1.00 0.00 N ATOM 0 H GLN A 80 -4.471 15.623 -3.392 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.191 13.270 -2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.923 14.360 -1.764 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -4.981 13.197 -0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.205 14.892 -0.517 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.138 16.056 -1.435 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.837 14.310 1.596 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.036 15.250 2.490 1.00 0.00 H new ATOM 1253 N GLU A 81 -5.976 12.907 -4.257 1.00 0.00 N ATOM 1254 CA GLU A 81 -6.841 11.972 -4.967 1.00 0.00 C ATOM 1255 C GLU A 81 -6.034 11.060 -5.886 1.00 0.00 C ATOM 1256 O GLU A 81 -6.175 9.836 -5.845 1.00 0.00 O ATOM 1257 CB GLU A 81 -7.871 12.760 -5.775 1.00 0.00 C ATOM 1258 CG GLU A 81 -8.812 11.901 -6.600 1.00 0.00 C ATOM 1259 CD GLU A 81 -9.742 12.732 -7.453 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -9.374 13.057 -8.602 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -10.838 13.081 -6.976 1.00 0.00 O ATOM 0 H GLU A 81 -6.203 13.888 -4.423 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.348 11.340 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.461 13.370 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.346 13.445 -6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.230 11.238 -7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.400 11.267 -5.936 1.00 0.00 H new ATOM 1268 N GLN A 82 -5.184 11.657 -6.709 1.00 0.00 N ATOM 1269 CA GLN A 82 -4.365 10.889 -7.634 1.00 0.00 C ATOM 1270 C GLN A 82 -3.354 10.034 -6.884 1.00 0.00 C ATOM 1271 O GLN A 82 -3.077 8.902 -7.281 1.00 0.00 O ATOM 1272 CB GLN A 82 -3.654 11.810 -8.619 1.00 0.00 C ATOM 1273 CG GLN A 82 -4.582 12.470 -9.628 1.00 0.00 C ATOM 1274 CD GLN A 82 -5.228 11.476 -10.580 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -4.666 10.424 -10.879 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -6.413 11.807 -11.073 1.00 0.00 N ATOM 0 H GLN A 82 -5.044 12.666 -6.755 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.025 10.227 -8.195 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.129 12.586 -8.062 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.898 11.237 -9.156 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.362 13.013 -9.095 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.019 13.204 -10.205 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.850 12.688 -10.803 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.888 11.180 -11.723 1.00 0.00 H new ATOM 1285 N ASN A 83 -2.814 10.570 -5.790 1.00 0.00 N ATOM 1286 CA ASN A 83 -1.900 9.802 -4.947 1.00 0.00 C ATOM 1287 C ASN A 83 -2.620 8.599 -4.346 1.00 0.00 C ATOM 1288 O ASN A 83 -2.060 7.506 -4.274 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.305 10.658 -3.816 1.00 0.00 C ATOM 1290 CG ASN A 83 -0.177 11.571 -4.270 1.00 0.00 C ATOM 1291 OD1 ASN A 83 0.977 11.149 -4.383 1.00 0.00 O ATOM 1292 ND2 ASN A 83 -0.488 12.834 -4.502 1.00 0.00 N ATOM 0 H ASN A 83 -2.991 11.522 -5.470 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.082 9.464 -5.583 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.097 11.264 -3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.934 10.000 -3.031 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.237 13.494 -4.784 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.453 13.149 -4.399 1.00 0.00 H new ATOM 1299 N ARG A 84 -3.866 8.808 -3.932 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.662 7.754 -3.322 1.00 0.00 C ATOM 1301 C ARG A 84 -4.881 6.617 -4.319 1.00 0.00 C ATOM 1302 O ARG A 84 -4.672 5.447 -3.995 1.00 0.00 O ATOM 1303 CB ARG A 84 -6.014 8.315 -2.868 1.00 0.00 C ATOM 1304 CG ARG A 84 -6.497 7.769 -1.532 1.00 0.00 C ATOM 1305 CD ARG A 84 -7.877 8.305 -1.187 1.00 0.00 C ATOM 1306 NE ARG A 84 -8.192 8.159 0.235 1.00 0.00 N ATOM 1307 CZ ARG A 84 -9.321 7.622 0.704 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -10.206 7.084 -0.128 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -9.564 7.612 2.008 1.00 0.00 N ATOM 0 H ARG A 84 -4.347 9.704 -4.010 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.127 7.367 -2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.940 9.400 -2.799 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.761 8.094 -3.630 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.526 6.680 -1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.791 8.042 -0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.934 9.358 -1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.627 7.779 -1.778 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.504 8.489 0.912 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.025 7.079 -1.132 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.066 6.675 0.237 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.887 8.015 2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.427 7.201 2.363 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.278 6.977 -5.537 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.544 5.995 -6.583 1.00 0.00 C ATOM 1325 C ALA A 85 -4.272 5.258 -6.990 1.00 0.00 C ATOM 1326 O ALA A 85 -4.285 4.044 -7.207 1.00 0.00 O ATOM 1327 CB ALA A 85 -6.178 6.669 -7.792 1.00 0.00 C ATOM 0 H ALA A 85 -5.423 7.945 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.242 5.259 -6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.371 5.924 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.117 7.137 -7.497 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.501 7.429 -8.182 1.00 0.00 H new ATOM 1333 N ASP A 86 -3.175 5.999 -7.083 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.890 5.427 -7.478 1.00 0.00 C ATOM 1335 C ASP A 86 -1.414 4.428 -6.438 1.00 0.00 C ATOM 1336 O ASP A 86 -1.061 3.299 -6.765 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.843 6.531 -7.650 1.00 0.00 C ATOM 1338 CG ASP A 86 0.439 6.031 -8.297 1.00 0.00 C ATOM 1339 OD1 ASP A 86 0.393 5.616 -9.474 1.00 0.00 O ATOM 1340 OD2 ASP A 86 1.501 6.061 -7.639 1.00 0.00 O ATOM 0 H ASP A 86 -3.148 7.000 -6.890 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.023 4.913 -8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.263 7.332 -8.258 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.610 6.959 -6.675 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.438 4.848 -5.180 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.983 4.014 -4.072 1.00 0.00 C ATOM 1347 C ALA A 87 -1.766 2.705 -3.989 1.00 0.00 C ATOM 1348 O ALA A 87 -1.183 1.640 -3.785 1.00 0.00 O ATOM 1349 CB ALA A 87 -1.089 4.781 -2.762 1.00 0.00 C ATOM 0 H ALA A 87 -1.771 5.770 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 87 0.061 3.759 -4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.747 4.150 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.469 5.676 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.127 5.067 -2.591 1.00 0.00 H new ATOM 1355 N LEU A 88 -3.083 2.783 -4.159 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.933 1.596 -4.106 1.00 0.00 C ATOM 1357 C LEU A 88 -3.587 0.628 -5.237 1.00 0.00 C ATOM 1358 O LEU A 88 -3.589 -0.592 -5.047 1.00 0.00 O ATOM 1359 CB LEU A 88 -5.408 1.990 -4.186 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.934 2.787 -2.990 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.383 3.189 -3.217 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.803 1.975 -1.709 1.00 0.00 C ATOM 0 H LEU A 88 -3.585 3.654 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.753 1.095 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.562 2.578 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.005 1.084 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.335 3.692 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.742 3.755 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.453 3.806 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.993 2.295 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.182 2.557 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.379 1.054 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.754 1.731 -1.538 1.00 0.00 H new ATOM 1374 N LEU A 89 -3.280 1.178 -6.405 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.913 0.366 -7.557 1.00 0.00 C ATOM 1376 C LEU A 89 -1.545 -0.279 -7.336 1.00 0.00 C ATOM 1377 O LEU A 89 -1.331 -1.441 -7.674 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.901 1.230 -8.825 1.00 0.00 C ATOM 1379 CG LEU A 89 -2.678 0.470 -10.135 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -3.796 -0.537 -10.369 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -2.579 1.441 -11.300 1.00 0.00 C ATOM 0 H LEU A 89 -3.278 2.183 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.651 -0.426 -7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.850 1.762 -8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.119 1.983 -8.724 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.738 -0.077 -10.061 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.619 -1.067 -11.305 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.820 -1.252 -9.547 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.751 -0.014 -10.423 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.420 0.885 -12.224 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.503 2.014 -11.375 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.742 2.121 -11.137 1.00 0.00 H new ATOM 1393 N ARG A 90 -0.633 0.482 -6.749 1.00 0.00 N ATOM 1394 CA ARG A 90 0.710 -0.008 -6.466 1.00 0.00 C ATOM 1395 C ARG A 90 0.683 -1.096 -5.401 1.00 0.00 C ATOM 1396 O ARG A 90 1.422 -2.074 -5.485 1.00 0.00 O ATOM 1397 CB ARG A 90 1.609 1.136 -6.004 1.00 0.00 C ATOM 1398 CG ARG A 90 1.785 2.224 -7.041 1.00 0.00 C ATOM 1399 CD ARG A 90 2.611 3.377 -6.504 1.00 0.00 C ATOM 1400 NE ARG A 90 3.999 3.001 -6.248 1.00 0.00 N ATOM 1401 CZ ARG A 90 5.018 3.845 -6.374 1.00 0.00 C ATOM 1402 NH1 ARG A 90 4.802 5.082 -6.807 1.00 0.00 N ATOM 1403 NH2 ARG A 90 6.254 3.455 -6.093 1.00 0.00 N ATOM 0 H ARG A 90 -0.799 1.445 -6.458 1.00 0.00 H new ATOM 0 HA ARG A 90 1.110 -0.431 -7.388 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.190 1.573 -5.098 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.588 0.735 -5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.269 1.810 -7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.808 2.591 -7.354 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.587 4.200 -7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.161 3.743 -5.581 1.00 0.00 H new ATOM 0 HE ARG A 90 4.196 2.043 -5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.856 5.382 -7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.582 5.732 -6.905 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.428 2.501 -5.777 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.030 4.109 -6.192 1.00 0.00 H new ATOM 1417 N LEU A 91 -0.170 -0.909 -4.401 1.00 0.00 N ATOM 1418 CA LEU A 91 -0.288 -1.852 -3.296 1.00 0.00 C ATOM 1419 C LEU A 91 -0.711 -3.226 -3.797 1.00 0.00 C ATOM 1420 O LEU A 91 -0.077 -4.238 -3.490 1.00 0.00 O ATOM 1421 CB LEU A 91 -1.316 -1.335 -2.288 1.00 0.00 C ATOM 1422 CG LEU A 91 -1.423 -2.136 -0.986 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -0.114 -2.082 -0.212 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -2.570 -1.605 -0.137 1.00 0.00 C ATOM 0 H LEU A 91 -0.795 -0.106 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 91 0.686 -1.944 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.069 -0.303 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.295 -1.322 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.626 -3.178 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.212 -2.657 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.686 -2.504 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.123 -1.046 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.637 -2.181 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.391 -0.557 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.505 -1.696 -0.690 1.00 0.00 H new ATOM 1436 N SER A 92 -1.776 -3.246 -4.574 1.00 0.00 N ATOM 1437 CA SER A 92 -2.322 -4.489 -5.099 1.00 0.00 C ATOM 1438 C SER A 92 -1.360 -5.149 -6.085 1.00 0.00 C ATOM 1439 O SER A 92 -1.151 -6.363 -6.046 1.00 0.00 O ATOM 1440 CB SER A 92 -3.674 -4.220 -5.754 1.00 0.00 C ATOM 1441 OG SER A 92 -3.625 -3.048 -6.550 1.00 0.00 O ATOM 0 H SER A 92 -2.286 -2.410 -4.859 1.00 0.00 H new ATOM 0 HA SER A 92 -2.460 -5.183 -4.270 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.960 -5.072 -6.371 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.440 -4.111 -4.986 1.00 0.00 H new ATOM 0 HG SER A 92 -3.761 -2.261 -5.982 1.00 0.00 H new ATOM 1447 N GLU A 93 -0.772 -4.337 -6.952 1.00 0.00 N ATOM 1448 CA GLU A 93 0.193 -4.817 -7.935 1.00 0.00 C ATOM 1449 C GLU A 93 1.401 -5.433 -7.230 1.00 0.00 C ATOM 1450 O GLU A 93 1.876 -6.494 -7.619 1.00 0.00 O ATOM 1451 CB GLU A 93 0.628 -3.656 -8.841 1.00 0.00 C ATOM 1452 CG GLU A 93 1.081 -4.074 -10.236 1.00 0.00 C ATOM 1453 CD GLU A 93 2.484 -4.649 -10.279 1.00 0.00 C ATOM 1454 OE1 GLU A 93 3.452 -3.867 -10.144 1.00 0.00 O ATOM 1455 OE2 GLU A 93 2.626 -5.877 -10.471 1.00 0.00 O ATOM 0 H GLU A 93 -0.948 -3.333 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.272 -5.587 -8.550 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.203 -2.957 -8.937 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.442 -3.119 -8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.383 -4.814 -10.628 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.033 -3.209 -10.898 1.00 0.00 H new ATOM 1462 N LEU A 94 1.865 -4.768 -6.172 1.00 0.00 N ATOM 1463 CA LEU A 94 3.033 -5.217 -5.411 1.00 0.00 C ATOM 1464 C LEU A 94 2.819 -6.632 -4.877 1.00 0.00 C ATOM 1465 O LEU A 94 3.722 -7.466 -4.938 1.00 0.00 O ATOM 1466 CB LEU A 94 3.311 -4.230 -4.258 1.00 0.00 C ATOM 1467 CG LEU A 94 4.692 -4.331 -3.581 1.00 0.00 C ATOM 1468 CD1 LEU A 94 4.758 -5.513 -2.625 1.00 0.00 C ATOM 1469 CD2 LEU A 94 5.792 -4.430 -4.627 1.00 0.00 C ATOM 0 H LEU A 94 1.445 -3.908 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 94 3.900 -5.240 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.193 -3.216 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.546 -4.373 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 94 4.843 -3.423 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.745 -5.554 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.001 -5.396 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.575 -6.436 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.760 -4.501 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.633 -5.317 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.773 -3.543 -5.261 1.00 0.00 H new ATOM 1481 N ILE A 95 1.620 -6.902 -4.374 1.00 0.00 N ATOM 1482 CA ILE A 95 1.298 -8.214 -3.816 1.00 0.00 C ATOM 1483 C ILE A 95 1.439 -9.310 -4.875 1.00 0.00 C ATOM 1484 O ILE A 95 2.011 -10.373 -4.617 1.00 0.00 O ATOM 1485 CB ILE A 95 -0.132 -8.245 -3.229 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.277 -7.176 -2.141 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -0.451 -9.627 -2.674 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -1.664 -7.097 -1.546 1.00 0.00 C ATOM 0 H ILE A 95 0.853 -6.231 -4.340 1.00 0.00 H new ATOM 0 HA ILE A 95 2.009 -8.401 -3.011 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.844 -8.028 -4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.439 -7.381 -1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.016 -6.205 -2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.461 -9.630 -2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.380 -10.365 -3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.260 -9.876 -1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.689 -6.318 -0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.383 -6.860 -2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.921 -8.055 -1.095 1.00 0.00 H new ATOM 1500 N VAL A 96 0.936 -9.033 -6.070 1.00 0.00 N ATOM 1501 CA VAL A 96 1.014 -9.986 -7.173 1.00 0.00 C ATOM 1502 C VAL A 96 2.439 -10.044 -7.720 1.00 0.00 C ATOM 1503 O VAL A 96 2.922 -11.099 -8.141 1.00 0.00 O ATOM 1504 CB VAL A 96 0.046 -9.602 -8.316 1.00 0.00 C ATOM 1505 CG1 VAL A 96 0.076 -10.644 -9.423 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -1.369 -9.423 -7.785 1.00 0.00 C ATOM 0 H VAL A 96 0.469 -8.156 -6.302 1.00 0.00 H new ATOM 0 HA VAL A 96 0.727 -10.964 -6.786 1.00 0.00 H new ATOM 0 HB VAL A 96 0.377 -8.652 -8.735 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.613 -10.352 -10.216 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.086 -10.716 -9.828 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.223 -11.612 -9.020 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.034 -9.153 -8.605 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.709 -10.355 -7.334 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.379 -8.632 -7.035 1.00 0.00 H new ATOM 1516 N ASN A 97 3.098 -8.898 -7.699 1.00 0.00 N ATOM 1517 CA ASN A 97 4.468 -8.769 -8.183 1.00 0.00 C ATOM 1518 C ASN A 97 5.416 -9.597 -7.326 1.00 0.00 C ATOM 1519 O ASN A 97 6.302 -10.274 -7.843 1.00 0.00 O ATOM 1520 CB ASN A 97 4.896 -7.301 -8.137 1.00 0.00 C ATOM 1521 CG ASN A 97 5.883 -6.941 -9.229 1.00 0.00 C ATOM 1522 OD1 ASN A 97 7.088 -7.126 -9.084 1.00 0.00 O ATOM 1523 ND2 ASN A 97 5.379 -6.385 -10.316 1.00 0.00 N ATOM 0 H ASN A 97 2.700 -8.028 -7.346 1.00 0.00 H new ATOM 0 HA ASN A 97 4.509 -9.133 -9.210 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.014 -6.667 -8.228 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.343 -7.088 -7.166 1.00 0.00 H new ATOM 0 HD21 ASN A 97 5.997 -6.092 -11.073 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.372 -6.248 -10.399 1.00 0.00 H new ATOM 1530 N ALA A 98 5.200 -9.547 -6.013 1.00 0.00 N ATOM 1531 CA ALA A 98 6.039 -10.254 -5.047 1.00 0.00 C ATOM 1532 C ALA A 98 6.100 -11.751 -5.331 1.00 0.00 C ATOM 1533 O ALA A 98 7.135 -12.384 -5.140 1.00 0.00 O ATOM 1534 CB ALA A 98 5.524 -10.010 -3.638 1.00 0.00 C ATOM 0 H ALA A 98 4.439 -9.016 -5.589 1.00 0.00 H new ATOM 0 HA ALA A 98 7.052 -9.862 -5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.154 -10.540 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.549 -8.942 -3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.499 -10.373 -3.557 1.00 0.00 H new ATOM 1540 N ALA A 99 4.995 -12.309 -5.802 1.00 0.00 N ATOM 1541 CA ALA A 99 4.937 -13.733 -6.098 1.00 0.00 C ATOM 1542 C ALA A 99 5.777 -14.072 -7.327 1.00 0.00 C ATOM 1543 O ALA A 99 6.141 -15.227 -7.545 1.00 0.00 O ATOM 1544 CB ALA A 99 3.495 -14.168 -6.296 1.00 0.00 C ATOM 0 H ALA A 99 4.130 -11.801 -5.987 1.00 0.00 H new ATOM 0 HA ALA A 99 5.353 -14.277 -5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.464 -15.235 -6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.927 -13.969 -5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.058 -13.613 -7.126 1.00 0.00 H new ATOM 1550 N LYS A 100 6.085 -13.059 -8.126 1.00 0.00 N ATOM 1551 CA LYS A 100 6.859 -13.246 -9.345 1.00 0.00 C ATOM 1552 C LYS A 100 8.338 -12.974 -9.094 1.00 0.00 C ATOM 1553 O LYS A 100 9.199 -13.362 -9.883 1.00 0.00 O ATOM 1554 CB LYS A 100 6.339 -12.313 -10.447 1.00 0.00 C ATOM 1555 CG LYS A 100 6.154 -12.979 -11.804 1.00 0.00 C ATOM 1556 CD LYS A 100 4.853 -13.768 -11.878 1.00 0.00 C ATOM 1557 CE LYS A 100 4.893 -15.027 -11.027 1.00 0.00 C ATOM 1558 NZ LYS A 100 3.564 -15.682 -10.935 1.00 0.00 N ATOM 0 H LYS A 100 5.808 -12.093 -7.950 1.00 0.00 H new ATOM 0 HA LYS A 100 6.746 -14.281 -9.666 1.00 0.00 H new ATOM 0 HB2 LYS A 100 5.385 -11.893 -10.129 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.033 -11.480 -10.557 1.00 0.00 H new ATOM 0 HG2 LYS A 100 6.162 -12.219 -12.585 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.994 -13.646 -11.999 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.028 -13.136 -11.549 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.653 -14.039 -12.915 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.613 -15.727 -11.450 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.243 -14.776 -10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.638 -16.536 -10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.882 -15.024 -10.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.240 -15.946 -11.887 1.00 0.00 H new ATOM 1572 N LEU A 101 8.625 -12.319 -7.984 1.00 0.00 N ATOM 1573 CA LEU A 101 9.970 -11.873 -7.685 1.00 0.00 C ATOM 1574 C LEU A 101 10.698 -12.836 -6.757 1.00 0.00 C ATOM 1575 O LEU A 101 10.196 -13.179 -5.685 1.00 0.00 O ATOM 1576 CB LEU A 101 9.918 -10.498 -7.022 1.00 0.00 C ATOM 1577 CG LEU A 101 9.338 -9.369 -7.868 1.00 0.00 C ATOM 1578 CD1 LEU A 101 9.369 -8.065 -7.087 1.00 0.00 C ATOM 1579 CD2 LEU A 101 10.103 -9.236 -9.172 1.00 0.00 C ATOM 0 H LEU A 101 7.936 -12.083 -7.270 1.00 0.00 H new ATOM 0 HA LEU A 101 10.516 -11.828 -8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.330 -10.579 -6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.930 -10.221 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 101 8.301 -9.604 -8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.953 -7.265 -7.699 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.778 -8.171 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.399 -7.823 -6.824 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.676 -8.426 -9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.149 -9.017 -8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.034 -10.169 -9.731 1.00 0.00 H new