USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 525 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 18 THR OG1 : rot -145:sc= -1.82 USER MOD Set 1.2: A 21 MET CE :methyl -172:sc= -1.98 (180deg=-2.39!) USER MOD Set 2.1: A 14 ASN : amide:sc= 0.874 K(o=1.5,f=-11!) USER MOD Set 2.2: A 44 GLN : amide:sc= 0 K(o=1.5,f=0.61) USER MOD Set 2.3: A 61 LYS NZ :NH3+ -166:sc= 0.668 (180deg=0) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 157:sc= -0.126 (180deg=-0.813) USER MOD Single : A 1 ASN :FLIP amide:sc= -0.499 F(o=-1.6,f=-0.5) USER MOD Single : A 2 GLN :FLIP amide:sc=-0.00844 F(o=-0.97,f=-0.0084) USER MOD Single : A 4 SER OG : rot -80:sc= -0.362 USER MOD Single : A 9 GLN : amide:sc= -3.96! C(o=-4!,f=-4.6!) USER MOD Single : A 15 THR OG1 : rot -60:sc= -1.9 USER MOD Single : A 22 MET CE :methyl -130:sc= -2.08 (180deg=-2.89) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0256 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0899 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 42 SER OG : rot -70:sc= 0.969 USER MOD Single : A 43 MET CE :methyl -131:sc= -5.27! (180deg=-11.6!) USER MOD Single : A 46 ASN : amide:sc= -4.86! C(o=-4.9!,f=-5.5!) USER MOD Single : A 47 GLN :FLIP amide:sc= -1.07 F(o=-2.3!,f=-1.1) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 83:sc= 0.985 USER MOD Single : A 54 THR OG1 : rot 150:sc= -5.49! USER MOD Single : A 56 MET CE :methyl -158:sc= -2.89! (180deg=-4.88!) USER MOD Single : A 59 MET CE :methyl -125:sc= -5.94! (180deg=-6.8!) USER MOD Single : A 63 TYR OH : rot -32:sc= 0.871 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -1.556 -0.861 0.584 1.00 33.20 N ATOM 2 CA MET A 0 -0.327 -0.333 0.018 1.00 51.53 C ATOM 3 C MET A 0 -0.026 -0.976 -1.337 1.00 72.43 C ATOM 4 O MET A 0 1.127 -1.271 -1.646 1.00 44.22 O ATOM 5 CB MET A 0 0.834 -0.598 0.978 1.00 35.54 C ATOM 6 CG MET A 0 1.110 -2.098 1.102 1.00 64.21 C ATOM 7 SD MET A 0 2.164 -2.411 2.508 1.00 11.25 S ATOM 8 CE MET A 0 3.766 -2.263 1.735 1.00 73.21 C ATOM 0 H1 MET A 0 -1.547 -0.731 1.616 1.00 33.20 H new ATOM 0 H2 MET A 0 -2.370 -0.356 0.178 1.00 33.20 H new ATOM 0 H3 MET A 0 -1.632 -1.875 0.364 1.00 33.20 H new ATOM 0 HA MET A 0 -0.450 0.740 -0.129 1.00 51.53 H new ATOM 0 HB2 MET A 0 1.729 -0.088 0.622 1.00 35.54 H new ATOM 0 HB3 MET A 0 0.601 -0.185 1.959 1.00 35.54 H new ATOM 0 HG2 MET A 0 0.171 -2.641 1.213 1.00 64.21 H new ATOM 0 HG3 MET A 0 1.585 -2.465 0.192 1.00 64.21 H new ATOM 0 HE1 MET A 0 4.545 -2.431 2.478 1.00 73.21 H new ATOM 0 HE2 MET A 0 3.856 -3.004 0.941 1.00 73.21 H new ATOM 0 HE3 MET A 0 3.876 -1.264 1.314 1.00 73.21 H new ATOM 18 N ASN A 1 -1.084 -1.176 -2.110 1.00 31.15 N ATOM 19 CA ASN A 1 -0.948 -1.780 -3.424 1.00 43.32 C ATOM 20 C ASN A 1 -1.727 -0.949 -4.446 1.00 2.55 C ATOM 21 O ASN A 1 -2.855 -0.535 -4.183 1.00 51.23 O ATOM 22 CB ASN A 1 -1.515 -3.200 -3.439 1.00 71.55 C ATOM 23 CG ASN A 1 -0.762 -4.081 -4.439 1.00 2.05 C ATOM 24 OD1 ASN A 1 -0.932 -3.726 -5.709 1.00 13.31 O flip ATOM 25 ND2 ASN A 1 -0.071 -5.021 -4.080 1.00 14.33 N flip ATOM 0 H ASN A 1 -2.039 -0.930 -1.851 1.00 31.15 H new ATOM 0 HA ASN A 1 0.113 -1.813 -3.671 1.00 43.32 H new ATOM 0 HB2 ASN A 1 -1.445 -3.634 -2.442 1.00 71.55 H new ATOM 0 HB3 ASN A 1 -2.573 -3.170 -3.700 1.00 71.55 H new ATOM 0 HD21 ASN A 1 0.017 -5.240 -3.088 1.00 14.33 H new ATOM 0 HD22 ASN A 1 0.419 -5.588 -4.772 1.00 14.33 H new ATOM 32 N GLN A 2 -1.094 -0.729 -5.588 1.00 43.24 N ATOM 33 CA GLN A 2 -1.713 0.046 -6.650 1.00 74.44 C ATOM 34 C GLN A 2 -3.205 -0.281 -6.744 1.00 72.15 C ATOM 35 O GLN A 2 -3.579 -1.381 -7.148 1.00 30.42 O ATOM 36 CB GLN A 2 -1.013 -0.200 -7.988 1.00 40.23 C ATOM 37 CG GLN A 2 -1.862 0.313 -9.154 1.00 25.14 C ATOM 38 CD GLN A 2 -1.991 1.837 -9.109 1.00 21.23 C ATOM 39 OE1 GLN A 2 -3.227 2.268 -8.872 1.00 12.31 O flip ATOM 40 NE2 GLN A 2 -1.032 2.572 -9.278 1.00 45.21 N flip ATOM 0 H GLN A 2 -0.158 -1.074 -5.802 1.00 43.24 H new ATOM 0 HA GLN A 2 -1.606 1.104 -6.411 1.00 74.44 H new ATOM 0 HB2 GLN A 2 -0.044 0.299 -7.992 1.00 40.23 H new ATOM 0 HB3 GLN A 2 -0.824 -1.266 -8.113 1.00 40.23 H new ATOM 0 HG2 GLN A 2 -1.410 0.010 -10.099 1.00 25.14 H new ATOM 0 HG3 GLN A 2 -2.852 -0.141 -9.115 1.00 25.14 H new ATOM 0 HE21 GLN A 2 -0.110 2.174 -9.456 1.00 45.21 H new ATOM 0 HE22 GLN A 2 -1.153 3.584 -9.241 1.00 45.21 H new ATOM 49 N GLU A 3 -4.017 0.695 -6.365 1.00 71.24 N ATOM 50 CA GLU A 3 -5.460 0.525 -6.402 1.00 23.20 C ATOM 51 C GLU A 3 -6.007 0.926 -7.773 1.00 41.32 C ATOM 52 O GLU A 3 -5.931 2.092 -8.159 1.00 35.05 O ATOM 53 CB GLU A 3 -6.135 1.325 -5.287 1.00 4.35 C ATOM 54 CG GLU A 3 -6.500 0.422 -4.107 1.00 74.33 C ATOM 55 CD GLU A 3 -7.634 1.032 -3.280 1.00 71.43 C ATOM 56 OE1 GLU A 3 -8.548 0.310 -2.855 1.00 14.13 O ATOM 57 OE2 GLU A 3 -7.542 2.303 -3.083 1.00 53.13 O ATOM 0 H GLU A 3 -3.703 1.606 -6.031 1.00 71.24 H new ATOM 0 HA GLU A 3 -5.686 -0.528 -6.236 1.00 23.20 H new ATOM 0 HB2 GLU A 3 -5.468 2.119 -4.949 1.00 4.35 H new ATOM 0 HB3 GLU A 3 -7.034 1.806 -5.673 1.00 4.35 H new ATOM 0 HG2 GLU A 3 -6.800 -0.559 -4.475 1.00 74.33 H new ATOM 0 HG3 GLU A 3 -5.625 0.271 -3.475 1.00 74.33 H new ATOM 65 N SER A 4 -6.546 -0.062 -8.472 1.00 43.24 N ATOM 66 CA SER A 4 -7.105 0.174 -9.792 1.00 73.14 C ATOM 67 C SER A 4 -8.632 0.243 -9.709 1.00 45.10 C ATOM 68 O SER A 4 -9.238 -0.379 -8.838 1.00 51.22 O ATOM 69 CB SER A 4 -6.676 -0.917 -10.775 1.00 74.33 C ATOM 70 OG SER A 4 -5.299 -1.254 -10.631 1.00 72.14 O ATOM 0 H SER A 4 -6.607 -1.028 -8.149 1.00 43.24 H new ATOM 0 HA SER A 4 -6.724 1.127 -10.159 1.00 73.14 H new ATOM 0 HB2 SER A 4 -7.285 -1.807 -10.617 1.00 74.33 H new ATOM 0 HB3 SER A 4 -6.862 -0.580 -11.795 1.00 74.33 H new ATOM 0 HG SER A 4 -4.749 -0.587 -11.093 1.00 72.14 H new ATOM 76 N VAL A 5 -9.208 1.005 -10.627 1.00 14.03 N ATOM 77 CA VAL A 5 -10.652 1.164 -10.668 1.00 32.41 C ATOM 78 C VAL A 5 -11.306 -0.207 -10.857 1.00 52.51 C ATOM 79 O VAL A 5 -10.791 -1.049 -11.591 1.00 4.53 O ATOM 80 CB VAL A 5 -11.038 2.166 -11.758 1.00 64.30 C ATOM 81 CG1 VAL A 5 -12.558 2.257 -11.906 1.00 4.21 C ATOM 82 CG2 VAL A 5 -10.430 3.542 -11.478 1.00 30.44 C ATOM 0 H VAL A 5 -8.701 1.519 -11.348 1.00 14.03 H new ATOM 0 HA VAL A 5 -11.018 1.572 -9.726 1.00 32.41 H new ATOM 0 HB VAL A 5 -10.631 1.806 -12.703 1.00 64.30 H new ATOM 0 HG11 VAL A 5 -12.805 2.976 -12.687 1.00 4.21 H new ATOM 0 HG12 VAL A 5 -12.957 1.279 -12.174 1.00 4.21 H new ATOM 0 HG13 VAL A 5 -12.997 2.581 -10.962 1.00 4.21 H new ATOM 0 HG21 VAL A 5 -10.720 4.235 -12.268 1.00 30.44 H new ATOM 0 HG22 VAL A 5 -10.793 3.912 -10.519 1.00 30.44 H new ATOM 0 HG23 VAL A 5 -9.343 3.460 -11.448 1.00 30.44 H new ATOM 92 N VAL A 6 -12.432 -0.387 -10.183 1.00 31.44 N ATOM 93 CA VAL A 6 -13.162 -1.641 -10.267 1.00 70.02 C ATOM 94 C VAL A 6 -14.661 -1.348 -10.362 1.00 23.13 C ATOM 95 O VAL A 6 -15.215 -0.649 -9.515 1.00 20.44 O ATOM 96 CB VAL A 6 -12.802 -2.537 -9.081 1.00 22.43 C ATOM 97 CG1 VAL A 6 -13.523 -3.884 -9.172 1.00 43.20 C ATOM 98 CG2 VAL A 6 -11.287 -2.732 -8.980 1.00 55.24 C ATOM 0 H VAL A 6 -12.857 0.314 -9.576 1.00 31.44 H new ATOM 0 HA VAL A 6 -12.880 -2.188 -11.167 1.00 70.02 H new ATOM 0 HB VAL A 6 -13.137 -2.038 -8.171 1.00 22.43 H new ATOM 0 HG11 VAL A 6 -13.249 -4.502 -8.317 1.00 43.20 H new ATOM 0 HG12 VAL A 6 -14.601 -3.721 -9.172 1.00 43.20 H new ATOM 0 HG13 VAL A 6 -13.233 -4.390 -10.093 1.00 43.20 H new ATOM 0 HG21 VAL A 6 -11.059 -3.373 -8.128 1.00 55.24 H new ATOM 0 HG22 VAL A 6 -10.918 -3.198 -9.894 1.00 55.24 H new ATOM 0 HG23 VAL A 6 -10.804 -1.764 -8.846 1.00 55.24 H new ATOM 108 N ALA A 7 -15.274 -1.897 -11.400 1.00 31.22 N ATOM 109 CA ALA A 7 -16.698 -1.704 -11.616 1.00 41.41 C ATOM 110 C ALA A 7 -17.447 -1.949 -10.305 1.00 24.33 C ATOM 111 O ALA A 7 -17.603 -3.093 -9.880 1.00 21.11 O ATOM 112 CB ALA A 7 -17.174 -2.626 -12.741 1.00 4.53 C ATOM 0 H ALA A 7 -14.811 -2.476 -12.101 1.00 31.22 H new ATOM 0 HA ALA A 7 -16.903 -0.679 -11.926 1.00 41.41 H new ATOM 0 HB1 ALA A 7 -18.242 -2.481 -12.903 1.00 4.53 H new ATOM 0 HB2 ALA A 7 -16.633 -2.391 -13.658 1.00 4.53 H new ATOM 0 HB3 ALA A 7 -16.986 -3.664 -12.465 1.00 4.53 H new ATOM 118 N ALA A 8 -17.890 -0.857 -9.700 1.00 24.03 N ATOM 119 CA ALA A 8 -18.618 -0.940 -8.445 1.00 52.42 C ATOM 120 C ALA A 8 -19.922 -1.709 -8.667 1.00 51.44 C ATOM 121 O ALA A 8 -20.461 -2.306 -7.737 1.00 0.22 O ATOM 122 CB ALA A 8 -18.858 0.470 -7.900 1.00 71.24 C ATOM 0 H ALA A 8 -17.759 0.090 -10.055 1.00 24.03 H new ATOM 0 HA ALA A 8 -18.038 -1.483 -7.699 1.00 52.42 H new ATOM 0 HB1 ALA A 8 -19.404 0.408 -6.959 1.00 71.24 H new ATOM 0 HB2 ALA A 8 -17.901 0.963 -7.732 1.00 71.24 H new ATOM 0 HB3 ALA A 8 -19.441 1.044 -8.620 1.00 71.24 H new ATOM 128 N GLN A 9 -20.392 -1.669 -9.906 1.00 4.13 N ATOM 129 CA GLN A 9 -21.622 -2.355 -10.262 1.00 11.41 C ATOM 130 C GLN A 9 -21.646 -2.657 -11.761 1.00 72.25 C ATOM 131 O GLN A 9 -20.719 -2.298 -12.486 1.00 31.23 O ATOM 132 CB GLN A 9 -22.846 -1.535 -9.848 1.00 40.03 C ATOM 133 CG GLN A 9 -22.562 -0.035 -9.953 1.00 34.11 C ATOM 134 CD GLN A 9 -23.836 0.781 -9.722 1.00 3.13 C ATOM 135 OE1 GLN A 9 -24.064 1.336 -8.660 1.00 3.35 O ATOM 136 NE2 GLN A 9 -24.650 0.823 -10.773 1.00 22.24 N ATOM 0 H GLN A 9 -19.943 -1.172 -10.675 1.00 4.13 H new ATOM 0 HA GLN A 9 -21.658 -3.300 -9.720 1.00 11.41 H new ATOM 0 HB2 GLN A 9 -23.693 -1.794 -10.483 1.00 40.03 H new ATOM 0 HB3 GLN A 9 -23.127 -1.785 -8.825 1.00 40.03 H new ATOM 0 HG2 GLN A 9 -21.806 0.248 -9.220 1.00 34.11 H new ATOM 0 HG3 GLN A 9 -22.153 0.193 -10.937 1.00 34.11 H new ATOM 0 HE21 GLN A 9 -24.398 0.335 -11.633 1.00 22.24 H new ATOM 0 HE22 GLN A 9 -25.526 1.343 -10.719 1.00 22.24 H new ATOM 145 N LEU A 10 -22.717 -3.315 -12.183 1.00 5.40 N ATOM 146 CA LEU A 10 -22.873 -3.670 -13.583 1.00 55.52 C ATOM 147 C LEU A 10 -22.866 -2.396 -14.432 1.00 21.34 C ATOM 148 O LEU A 10 -23.780 -1.578 -14.338 1.00 23.21 O ATOM 149 CB LEU A 10 -24.121 -4.533 -13.781 1.00 13.44 C ATOM 150 CG LEU A 10 -24.543 -4.781 -15.230 1.00 42.33 C ATOM 151 CD1 LEU A 10 -23.877 -6.041 -15.787 1.00 35.04 C ATOM 152 CD2 LEU A 10 -26.067 -4.834 -15.357 1.00 3.41 C ATOM 0 H LEU A 10 -23.484 -3.611 -11.580 1.00 5.40 H new ATOM 0 HA LEU A 10 -22.034 -4.281 -13.917 1.00 55.52 H new ATOM 0 HB2 LEU A 10 -23.951 -5.498 -13.303 1.00 13.44 H new ATOM 0 HB3 LEU A 10 -24.952 -4.060 -13.257 1.00 13.44 H new ATOM 0 HG LEU A 10 -24.199 -3.941 -15.834 1.00 42.33 H new ATOM 0 HD11 LEU A 10 -24.194 -6.194 -16.819 1.00 35.04 H new ATOM 0 HD12 LEU A 10 -22.794 -5.925 -15.754 1.00 35.04 H new ATOM 0 HD13 LEU A 10 -24.168 -6.902 -15.186 1.00 35.04 H new ATOM 0 HD21 LEU A 10 -26.339 -5.011 -16.397 1.00 3.41 H new ATOM 0 HD22 LEU A 10 -26.456 -5.642 -14.737 1.00 3.41 H new ATOM 0 HD23 LEU A 10 -26.493 -3.886 -15.027 1.00 3.41 H new ATOM 164 N ILE A 11 -21.824 -2.269 -15.240 1.00 53.44 N ATOM 165 CA ILE A 11 -21.686 -1.109 -16.105 1.00 3.23 C ATOM 166 C ILE A 11 -21.796 -1.550 -17.565 1.00 75.53 C ATOM 167 O ILE A 11 -20.890 -2.193 -18.094 1.00 13.32 O ATOM 168 CB ILE A 11 -20.393 -0.355 -15.787 1.00 2.15 C ATOM 169 CG1 ILE A 11 -20.392 0.147 -14.341 1.00 73.11 C ATOM 170 CG2 ILE A 11 -20.159 0.779 -16.787 1.00 21.20 C ATOM 171 CD1 ILE A 11 -18.971 0.193 -13.777 1.00 63.13 C ATOM 0 H ILE A 11 -21.068 -2.949 -15.314 1.00 53.44 H new ATOM 0 HA ILE A 11 -22.495 -0.401 -15.924 1.00 3.23 H new ATOM 0 HB ILE A 11 -19.559 -1.050 -15.887 1.00 2.15 H new ATOM 0 HG12 ILE A 11 -20.837 1.141 -14.297 1.00 73.11 H new ATOM 0 HG13 ILE A 11 -21.010 -0.506 -13.725 1.00 73.11 H new ATOM 0 HG21 ILE A 11 -19.234 1.298 -16.538 1.00 21.20 H new ATOM 0 HG22 ILE A 11 -20.084 0.367 -17.793 1.00 21.20 H new ATOM 0 HG23 ILE A 11 -20.992 1.481 -16.743 1.00 21.20 H new ATOM 0 HD11 ILE A 11 -18.999 0.553 -12.749 1.00 63.13 H new ATOM 0 HD12 ILE A 11 -18.538 -0.807 -13.800 1.00 63.13 H new ATOM 0 HD13 ILE A 11 -18.362 0.866 -14.380 1.00 63.13 H new ATOM 183 N PRO A 12 -22.945 -1.179 -18.193 1.00 23.25 N ATOM 184 CA PRO A 12 -23.186 -1.530 -19.582 1.00 23.13 C ATOM 185 C PRO A 12 -22.350 -0.658 -20.521 1.00 1.13 C ATOM 186 O PRO A 12 -21.725 0.308 -20.085 1.00 34.02 O ATOM 187 CB PRO A 12 -24.682 -1.350 -19.779 1.00 31.51 C ATOM 188 CG PRO A 12 -25.150 -0.465 -18.635 1.00 61.41 C ATOM 189 CD PRO A 12 -24.040 -0.418 -17.598 1.00 63.21 C ATOM 0 HA PRO A 12 -22.887 -2.552 -19.816 1.00 23.13 H new ATOM 0 HB2 PRO A 12 -24.896 -0.888 -20.743 1.00 31.51 H new ATOM 0 HB3 PRO A 12 -25.196 -2.311 -19.765 1.00 31.51 H new ATOM 0 HG2 PRO A 12 -25.377 0.538 -18.997 1.00 61.41 H new ATOM 0 HG3 PRO A 12 -26.066 -0.861 -18.196 1.00 61.41 H new ATOM 0 HD2 PRO A 12 -23.740 0.608 -17.386 1.00 63.21 H new ATOM 0 HD3 PRO A 12 -24.361 -0.858 -16.654 1.00 63.21 H new ATOM 197 N ILE A 13 -22.365 -1.030 -21.792 1.00 52.12 N ATOM 198 CA ILE A 13 -21.617 -0.293 -22.796 1.00 64.55 C ATOM 199 C ILE A 13 -22.306 1.047 -23.059 1.00 5.24 C ATOM 200 O ILE A 13 -23.530 1.142 -22.999 1.00 75.11 O ATOM 201 CB ILE A 13 -21.427 -1.144 -24.054 1.00 53.12 C ATOM 202 CG1 ILE A 13 -20.624 -0.386 -25.113 1.00 10.30 C ATOM 203 CG2 ILE A 13 -22.773 -1.630 -24.595 1.00 55.11 C ATOM 204 CD1 ILE A 13 -19.819 -1.351 -25.986 1.00 12.22 C ATOM 0 H ILE A 13 -22.883 -1.832 -22.150 1.00 52.12 H new ATOM 0 HA ILE A 13 -20.613 -0.070 -22.435 1.00 64.55 H new ATOM 0 HB ILE A 13 -20.850 -2.028 -23.784 1.00 53.12 H new ATOM 0 HG12 ILE A 13 -21.300 0.198 -25.738 1.00 10.30 H new ATOM 0 HG13 ILE A 13 -19.950 0.319 -24.627 1.00 10.30 H new ATOM 0 HG21 ILE A 13 -22.610 -2.232 -25.489 1.00 55.11 H new ATOM 0 HG22 ILE A 13 -23.273 -2.233 -23.837 1.00 55.11 H new ATOM 0 HG23 ILE A 13 -23.396 -0.771 -24.845 1.00 55.11 H new ATOM 0 HD11 ILE A 13 -19.258 -0.786 -26.730 1.00 12.22 H new ATOM 0 HD12 ILE A 13 -19.127 -1.916 -25.361 1.00 12.22 H new ATOM 0 HD13 ILE A 13 -20.498 -2.039 -26.489 1.00 12.22 H new ATOM 216 N ASN A 14 -21.488 2.050 -23.343 1.00 53.52 N ATOM 217 CA ASN A 14 -22.004 3.382 -23.615 1.00 23.33 C ATOM 218 C ASN A 14 -22.714 3.913 -22.368 1.00 73.31 C ATOM 219 O ASN A 14 -23.646 4.709 -22.472 1.00 72.22 O ATOM 220 CB ASN A 14 -23.016 3.357 -24.761 1.00 51.05 C ATOM 221 CG ASN A 14 -22.341 3.680 -26.096 1.00 21.40 C ATOM 222 OD1 ASN A 14 -21.851 4.773 -26.325 1.00 5.12 O ATOM 223 ND2 ASN A 14 -22.343 2.670 -26.961 1.00 61.33 N ATOM 0 H ASN A 14 -20.472 1.968 -23.391 1.00 53.52 H new ATOM 0 HA ASN A 14 -21.164 4.020 -23.890 1.00 23.33 H new ATOM 0 HB2 ASN A 14 -23.485 2.375 -24.815 1.00 51.05 H new ATOM 0 HB3 ASN A 14 -23.809 4.079 -24.566 1.00 51.05 H new ATOM 0 HD21 ASN A 14 -21.917 2.785 -27.880 1.00 61.33 H new ATOM 0 HD22 ASN A 14 -22.771 1.780 -26.705 1.00 61.33 H new ATOM 230 N THR A 15 -22.247 3.451 -21.218 1.00 30.43 N ATOM 231 CA THR A 15 -22.826 3.869 -19.952 1.00 51.24 C ATOM 232 C THR A 15 -21.908 4.872 -19.251 1.00 64.13 C ATOM 233 O THR A 15 -20.810 4.519 -18.823 1.00 43.41 O ATOM 234 CB THR A 15 -23.103 2.615 -19.121 1.00 73.24 C ATOM 235 OG1 THR A 15 -23.881 1.791 -19.986 1.00 30.25 O ATOM 236 CG2 THR A 15 -24.030 2.891 -17.936 1.00 33.21 C ATOM 0 H THR A 15 -21.474 2.791 -21.136 1.00 30.43 H new ATOM 0 HA THR A 15 -23.771 4.391 -20.103 1.00 51.24 H new ATOM 0 HB THR A 15 -22.161 2.205 -18.757 1.00 73.24 H new ATOM 0 HG1 THR A 15 -24.706 2.260 -20.229 1.00 30.25 H new ATOM 0 HG21 THR A 15 -24.194 1.968 -17.380 1.00 33.21 H new ATOM 0 HG22 THR A 15 -23.573 3.633 -17.281 1.00 33.21 H new ATOM 0 HG23 THR A 15 -24.985 3.269 -18.301 1.00 33.21 H new ATOM 244 N ALA A 16 -22.391 6.102 -19.156 1.00 22.23 N ATOM 245 CA ALA A 16 -21.627 7.158 -18.514 1.00 1.22 C ATOM 246 C ALA A 16 -21.192 6.694 -17.122 1.00 73.12 C ATOM 247 O ALA A 16 -22.021 6.550 -16.225 1.00 13.11 O ATOM 248 CB ALA A 16 -22.465 8.438 -18.466 1.00 64.44 C ATOM 0 H ALA A 16 -23.302 6.391 -19.513 1.00 22.23 H new ATOM 0 HA ALA A 16 -20.725 7.379 -19.084 1.00 1.22 H new ATOM 0 HB1 ALA A 16 -21.892 9.230 -17.984 1.00 64.44 H new ATOM 0 HB2 ALA A 16 -22.723 8.742 -19.480 1.00 64.44 H new ATOM 0 HB3 ALA A 16 -23.378 8.254 -17.899 1.00 64.44 H new ATOM 254 N LEU A 17 -19.893 6.472 -16.986 1.00 52.33 N ATOM 255 CA LEU A 17 -19.338 6.027 -15.719 1.00 55.22 C ATOM 256 C LEU A 17 -19.702 7.034 -14.626 1.00 54.23 C ATOM 257 O LEU A 17 -19.830 8.228 -14.895 1.00 21.24 O ATOM 258 CB LEU A 17 -17.834 5.779 -15.850 1.00 75.25 C ATOM 259 CG LEU A 17 -17.422 4.631 -16.774 1.00 74.31 C ATOM 260 CD1 LEU A 17 -15.924 4.684 -17.080 1.00 33.32 C ATOM 261 CD2 LEU A 17 -17.841 3.280 -16.190 1.00 23.11 C ATOM 0 H LEU A 17 -19.209 6.592 -17.733 1.00 52.33 H new ATOM 0 HA LEU A 17 -19.771 5.070 -15.429 1.00 55.22 H new ATOM 0 HB2 LEU A 17 -17.365 6.695 -16.209 1.00 75.25 H new ATOM 0 HB3 LEU A 17 -17.430 5.583 -14.857 1.00 75.25 H new ATOM 0 HG LEU A 17 -17.948 4.749 -17.721 1.00 74.31 H new ATOM 0 HD11 LEU A 17 -15.658 3.857 -17.738 1.00 33.32 H new ATOM 0 HD12 LEU A 17 -15.686 5.629 -17.569 1.00 33.32 H new ATOM 0 HD13 LEU A 17 -15.360 4.604 -16.151 1.00 33.32 H new ATOM 0 HD21 LEU A 17 -17.536 2.481 -16.866 1.00 23.11 H new ATOM 0 HD22 LEU A 17 -17.362 3.138 -15.221 1.00 23.11 H new ATOM 0 HD23 LEU A 17 -18.924 3.257 -16.066 1.00 23.11 H new ATOM 273 N THR A 18 -19.859 6.516 -13.417 1.00 72.11 N ATOM 274 CA THR A 18 -20.206 7.355 -12.282 1.00 60.25 C ATOM 275 C THR A 18 -19.483 6.874 -11.023 1.00 20.31 C ATOM 276 O THR A 18 -19.019 5.736 -10.966 1.00 5.23 O ATOM 277 CB THR A 18 -21.730 7.358 -12.145 1.00 23.22 C ATOM 278 OG1 THR A 18 -22.078 5.976 -12.108 1.00 43.53 O ATOM 279 CG2 THR A 18 -22.430 7.885 -13.399 1.00 1.42 C ATOM 0 H THR A 18 -19.752 5.525 -13.198 1.00 72.11 H new ATOM 0 HA THR A 18 -19.877 8.383 -12.434 1.00 60.25 H new ATOM 0 HB THR A 18 -22.016 7.967 -11.287 1.00 23.22 H new ATOM 0 HG1 THR A 18 -22.937 5.843 -12.561 1.00 43.53 H new ATOM 0 HG21 THR A 18 -23.509 7.866 -13.248 1.00 1.42 H new ATOM 0 HG22 THR A 18 -22.109 8.909 -13.592 1.00 1.42 H new ATOM 0 HG23 THR A 18 -22.171 7.257 -14.251 1.00 1.42 H new ATOM 287 N LEU A 19 -19.410 7.764 -10.045 1.00 14.15 N ATOM 288 CA LEU A 19 -18.752 7.445 -8.789 1.00 62.43 C ATOM 289 C LEU A 19 -19.532 6.338 -8.076 1.00 42.32 C ATOM 290 O LEU A 19 -19.002 5.676 -7.185 1.00 15.21 O ATOM 291 CB LEU A 19 -18.565 8.707 -7.946 1.00 12.34 C ATOM 292 CG LEU A 19 -17.523 8.620 -6.829 1.00 62.10 C ATOM 293 CD1 LEU A 19 -16.189 8.094 -7.364 1.00 12.51 C ATOM 294 CD2 LEU A 19 -17.365 9.966 -6.119 1.00 53.24 C ATOM 0 H LEU A 19 -19.796 8.707 -10.097 1.00 14.15 H new ATOM 0 HA LEU A 19 -17.748 7.061 -8.972 1.00 62.43 H new ATOM 0 HB2 LEU A 19 -18.289 9.526 -8.610 1.00 12.34 H new ATOM 0 HB3 LEU A 19 -19.525 8.968 -7.501 1.00 12.34 H new ATOM 0 HG LEU A 19 -17.877 7.905 -6.087 1.00 62.10 H new ATOM 0 HD11 LEU A 19 -15.466 8.042 -6.550 1.00 12.51 H new ATOM 0 HD12 LEU A 19 -16.333 7.099 -7.786 1.00 12.51 H new ATOM 0 HD13 LEU A 19 -15.817 8.766 -8.137 1.00 12.51 H new ATOM 0 HD21 LEU A 19 -16.619 9.876 -5.330 1.00 53.24 H new ATOM 0 HD22 LEU A 19 -17.044 10.721 -6.837 1.00 53.24 H new ATOM 0 HD23 LEU A 19 -18.319 10.262 -5.683 1.00 53.24 H new ATOM 306 N VAL A 20 -20.778 6.172 -8.496 1.00 4.05 N ATOM 307 CA VAL A 20 -21.636 5.157 -7.908 1.00 42.31 C ATOM 308 C VAL A 20 -21.535 3.871 -8.731 1.00 41.41 C ATOM 309 O VAL A 20 -22.198 2.881 -8.426 1.00 4.22 O ATOM 310 CB VAL A 20 -23.068 5.684 -7.795 1.00 42.25 C ATOM 311 CG1 VAL A 20 -23.079 7.153 -7.367 1.00 34.23 C ATOM 312 CG2 VAL A 20 -23.828 5.490 -9.109 1.00 12.31 C ATOM 0 H VAL A 20 -21.214 6.723 -9.236 1.00 4.05 H new ATOM 0 HA VAL A 20 -21.310 4.921 -6.895 1.00 42.31 H new ATOM 0 HB VAL A 20 -23.578 5.107 -7.024 1.00 42.25 H new ATOM 0 HG11 VAL A 20 -24.109 7.503 -7.294 1.00 34.23 H new ATOM 0 HG12 VAL A 20 -22.592 7.253 -6.397 1.00 34.23 H new ATOM 0 HG13 VAL A 20 -22.544 7.751 -8.105 1.00 34.23 H new ATOM 0 HG21 VAL A 20 -24.843 5.873 -9.002 1.00 12.31 H new ATOM 0 HG22 VAL A 20 -23.319 6.030 -9.907 1.00 12.31 H new ATOM 0 HG23 VAL A 20 -23.864 4.429 -9.355 1.00 12.31 H new ATOM 322 N MET A 21 -20.701 3.928 -9.759 1.00 4.43 N ATOM 323 CA MET A 21 -20.504 2.781 -10.628 1.00 74.30 C ATOM 324 C MET A 21 -19.022 2.415 -10.727 1.00 71.02 C ATOM 325 O MET A 21 -18.644 1.547 -11.512 1.00 74.25 O ATOM 326 CB MET A 21 -21.047 3.098 -12.023 1.00 45.21 C ATOM 327 CG MET A 21 -22.576 3.057 -12.039 1.00 40.33 C ATOM 328 SD MET A 21 -23.160 2.700 -13.688 1.00 24.32 S ATOM 329 CE MET A 21 -22.030 3.700 -14.641 1.00 4.34 C ATOM 0 H MET A 21 -20.154 4.751 -10.009 1.00 4.43 H new ATOM 0 HA MET A 21 -21.040 1.932 -10.204 1.00 74.30 H new ATOM 0 HB2 MET A 21 -20.703 4.084 -12.336 1.00 45.21 H new ATOM 0 HB3 MET A 21 -20.653 2.380 -12.742 1.00 45.21 H new ATOM 0 HG2 MET A 21 -22.935 2.297 -11.345 1.00 40.33 H new ATOM 0 HG3 MET A 21 -22.977 4.012 -11.701 1.00 40.33 H new ATOM 0 HE1 MET A 21 -22.342 3.707 -15.685 1.00 4.34 H new ATOM 0 HE2 MET A 21 -22.032 4.719 -14.255 1.00 4.34 H new ATOM 0 HE3 MET A 21 -21.025 3.285 -14.566 1.00 4.34 H new ATOM 339 N MET A 22 -18.222 3.096 -9.920 1.00 32.44 N ATOM 340 CA MET A 22 -16.790 2.853 -9.907 1.00 5.35 C ATOM 341 C MET A 22 -16.255 2.801 -8.474 1.00 13.03 C ATOM 342 O MET A 22 -16.839 3.394 -7.568 1.00 31.12 O ATOM 343 CB MET A 22 -16.076 3.966 -10.677 1.00 73.02 C ATOM 344 CG MET A 22 -16.321 3.835 -12.182 1.00 34.22 C ATOM 345 SD MET A 22 -15.223 4.921 -13.076 1.00 54.32 S ATOM 346 CE MET A 22 -15.977 6.497 -12.707 1.00 30.45 C ATOM 0 H MET A 22 -18.538 3.816 -9.270 1.00 32.44 H new ATOM 0 HA MET A 22 -16.600 1.890 -10.381 1.00 5.35 H new ATOM 0 HB2 MET A 22 -16.429 4.937 -10.331 1.00 73.02 H new ATOM 0 HB3 MET A 22 -15.006 3.925 -10.474 1.00 73.02 H new ATOM 0 HG2 MET A 22 -16.161 2.804 -12.496 1.00 34.22 H new ATOM 0 HG3 MET A 22 -17.357 4.082 -12.413 1.00 34.22 H new ATOM 0 HE1 MET A 22 -16.123 7.056 -13.631 1.00 30.45 H new ATOM 0 HE2 MET A 22 -16.941 6.335 -12.225 1.00 30.45 H new ATOM 0 HE3 MET A 22 -15.328 7.063 -12.039 1.00 30.45 H new ATOM 356 N THR A 23 -15.151 2.086 -8.313 1.00 55.04 N ATOM 357 CA THR A 23 -14.532 1.949 -7.006 1.00 70.42 C ATOM 358 C THR A 23 -13.066 1.536 -7.152 1.00 1.44 C ATOM 359 O THR A 23 -12.542 1.476 -8.263 1.00 24.43 O ATOM 360 CB THR A 23 -15.364 0.957 -6.191 1.00 11.04 C ATOM 361 OG1 THR A 23 -14.726 0.933 -4.917 1.00 4.21 O ATOM 362 CG2 THR A 23 -15.230 -0.479 -6.701 1.00 71.04 C ATOM 0 H THR A 23 -14.669 1.595 -9.066 1.00 55.04 H new ATOM 0 HA THR A 23 -14.518 2.899 -6.473 1.00 70.42 H new ATOM 0 HB THR A 23 -16.412 1.255 -6.218 1.00 11.04 H new ATOM 0 HG1 THR A 23 -15.203 0.315 -4.324 1.00 4.21 H new ATOM 0 HG21 THR A 23 -15.841 -1.141 -6.087 1.00 71.04 H new ATOM 0 HG22 THR A 23 -15.567 -0.530 -7.736 1.00 71.04 H new ATOM 0 HG23 THR A 23 -14.187 -0.790 -6.643 1.00 71.04 H new ATOM 370 N THR A 24 -12.445 1.264 -6.013 1.00 75.31 N ATOM 371 CA THR A 24 -11.050 0.859 -6.000 1.00 20.14 C ATOM 372 C THR A 24 -10.901 -0.519 -5.353 1.00 21.43 C ATOM 373 O THR A 24 -11.686 -0.888 -4.481 1.00 33.31 O ATOM 374 CB THR A 24 -10.247 1.952 -5.292 1.00 14.42 C ATOM 375 OG1 THR A 24 -10.563 1.778 -3.913 1.00 60.53 O ATOM 376 CG2 THR A 24 -10.759 3.357 -5.616 1.00 14.31 C ATOM 0 H THR A 24 -12.883 1.316 -5.093 1.00 75.31 H new ATOM 0 HA THR A 24 -10.660 0.752 -7.012 1.00 20.14 H new ATOM 0 HB THR A 24 -9.198 1.873 -5.576 1.00 14.42 H new ATOM 0 HG1 THR A 24 -10.083 2.446 -3.381 1.00 60.53 H new ATOM 0 HG21 THR A 24 -10.155 4.095 -5.088 1.00 14.31 H new ATOM 0 HG22 THR A 24 -10.689 3.531 -6.690 1.00 14.31 H new ATOM 0 HG23 THR A 24 -11.799 3.447 -5.301 1.00 14.31 H new ATOM 384 N ARG A 25 -9.887 -1.243 -5.805 1.00 34.33 N ATOM 385 CA ARG A 25 -9.625 -2.573 -5.281 1.00 32.12 C ATOM 386 C ARG A 25 -8.394 -3.178 -5.959 1.00 54.34 C ATOM 387 O ARG A 25 -8.261 -3.116 -7.181 1.00 12.34 O ATOM 388 CB ARG A 25 -10.825 -3.497 -5.499 1.00 22.32 C ATOM 389 CG ARG A 25 -11.063 -4.384 -4.275 1.00 32.11 C ATOM 390 CD ARG A 25 -10.425 -5.762 -4.464 1.00 12.15 C ATOM 391 NE ARG A 25 -11.089 -6.751 -3.586 1.00 20.43 N ATOM 392 CZ ARG A 25 -10.498 -7.877 -3.132 1.00 1.05 C ATOM 393 NH1 ARG A 25 -9.223 -8.166 -3.469 1.00 52.33 N ATOM 394 NH2 ARG A 25 -11.185 -8.691 -2.352 1.00 73.13 N ATOM 0 H ARG A 25 -9.237 -0.934 -6.528 1.00 34.33 H new ATOM 0 HA ARG A 25 -9.444 -2.478 -4.210 1.00 32.12 H new ATOM 0 HB2 ARG A 25 -11.716 -2.901 -5.700 1.00 22.32 H new ATOM 0 HB3 ARG A 25 -10.654 -4.120 -6.377 1.00 22.32 H new ATOM 0 HG2 ARG A 25 -10.647 -3.905 -3.388 1.00 32.11 H new ATOM 0 HG3 ARG A 25 -12.134 -4.495 -4.105 1.00 32.11 H new ATOM 0 HD2 ARG A 25 -10.511 -6.072 -5.505 1.00 12.15 H new ATOM 0 HD3 ARG A 25 -9.361 -5.714 -4.233 1.00 12.15 H new ATOM 0 HE ARG A 25 -12.053 -6.571 -3.306 1.00 20.43 H new ATOM 0 HH11 ARG A 25 -8.698 -7.532 -4.071 1.00 52.33 H new ATOM 0 HH12 ARG A 25 -8.784 -9.019 -3.121 1.00 52.33 H new ATOM 0 HH21 ARG A 25 -12.147 -8.465 -2.101 1.00 73.13 H new ATOM 0 HH22 ARG A 25 -10.753 -9.546 -2.001 1.00 73.13 H new ATOM 407 N VAL A 26 -7.526 -3.749 -5.138 1.00 2.32 N ATOM 408 CA VAL A 26 -6.310 -4.364 -5.643 1.00 54.04 C ATOM 409 C VAL A 26 -6.672 -5.627 -6.428 1.00 44.20 C ATOM 410 O VAL A 26 -6.704 -6.722 -5.868 1.00 40.33 O ATOM 411 CB VAL A 26 -5.341 -4.633 -4.490 1.00 74.24 C ATOM 412 CG1 VAL A 26 -3.911 -4.803 -5.005 1.00 23.10 C ATOM 413 CG2 VAL A 26 -5.418 -3.524 -3.439 1.00 52.04 C ATOM 0 H VAL A 26 -7.640 -3.799 -4.126 1.00 2.32 H new ATOM 0 HA VAL A 26 -5.797 -3.690 -6.329 1.00 54.04 H new ATOM 0 HB VAL A 26 -5.638 -5.567 -4.013 1.00 74.24 H new ATOM 0 HG11 VAL A 26 -3.242 -4.993 -4.166 1.00 23.10 H new ATOM 0 HG12 VAL A 26 -3.871 -5.643 -5.698 1.00 23.10 H new ATOM 0 HG13 VAL A 26 -3.599 -3.894 -5.519 1.00 23.10 H new ATOM 0 HG21 VAL A 26 -4.719 -3.740 -2.631 1.00 52.04 H new ATOM 0 HG22 VAL A 26 -5.159 -2.570 -3.897 1.00 52.04 H new ATOM 0 HG23 VAL A 26 -6.431 -3.471 -3.039 1.00 52.04 H new ATOM 423 N VAL A 27 -6.934 -5.432 -7.712 1.00 71.40 N ATOM 424 CA VAL A 27 -7.292 -6.542 -8.579 1.00 63.12 C ATOM 425 C VAL A 27 -6.114 -6.862 -9.503 1.00 34.15 C ATOM 426 O VAL A 27 -5.189 -6.062 -9.634 1.00 72.44 O ATOM 427 CB VAL A 27 -8.578 -6.217 -9.341 1.00 71.24 C ATOM 428 CG1 VAL A 27 -9.689 -5.783 -8.383 1.00 24.44 C ATOM 429 CG2 VAL A 27 -8.328 -5.151 -10.409 1.00 41.35 C ATOM 0 H VAL A 27 -6.906 -4.522 -8.173 1.00 71.40 H new ATOM 0 HA VAL A 27 -7.496 -7.436 -7.990 1.00 63.12 H new ATOM 0 HB VAL A 27 -8.907 -7.126 -9.845 1.00 71.24 H new ATOM 0 HG11 VAL A 27 -10.592 -5.558 -8.951 1.00 24.44 H new ATOM 0 HG12 VAL A 27 -9.895 -6.587 -7.677 1.00 24.44 H new ATOM 0 HG13 VAL A 27 -9.372 -4.894 -7.838 1.00 24.44 H new ATOM 0 HG21 VAL A 27 -9.258 -4.939 -10.936 1.00 41.35 H new ATOM 0 HG22 VAL A 27 -7.963 -4.240 -9.935 1.00 41.35 H new ATOM 0 HG23 VAL A 27 -7.584 -5.514 -11.118 1.00 41.35 H new ATOM 439 N SER A 28 -6.188 -8.033 -10.118 1.00 24.22 N ATOM 440 CA SER A 28 -5.139 -8.469 -11.025 1.00 15.20 C ATOM 441 C SER A 28 -5.757 -9.116 -12.266 1.00 52.33 C ATOM 442 O SER A 28 -6.622 -9.983 -12.154 1.00 10.04 O ATOM 443 CB SER A 28 -4.186 -9.447 -10.336 1.00 1.33 C ATOM 444 OG SER A 28 -2.887 -9.429 -10.922 1.00 73.03 O ATOM 0 H SER A 28 -6.957 -8.693 -10.006 1.00 24.22 H new ATOM 0 HA SER A 28 -4.563 -7.595 -11.327 1.00 15.20 H new ATOM 0 HB2 SER A 28 -4.110 -9.195 -9.278 1.00 1.33 H new ATOM 0 HB3 SER A 28 -4.596 -10.455 -10.395 1.00 1.33 H new ATOM 0 HG SER A 28 -2.308 -10.065 -10.453 1.00 73.03 H new ATOM 450 N PRO A 29 -5.277 -8.657 -13.453 1.00 4.11 N ATOM 451 CA PRO A 29 -4.252 -7.628 -13.498 1.00 10.43 C ATOM 452 C PRO A 29 -4.839 -6.254 -13.165 1.00 74.42 C ATOM 453 O PRO A 29 -6.054 -6.068 -13.210 1.00 53.52 O ATOM 454 CB PRO A 29 -3.679 -7.704 -14.903 1.00 41.14 C ATOM 455 CG PRO A 29 -4.711 -8.449 -15.734 1.00 41.25 C ATOM 456 CD PRO A 29 -5.694 -9.104 -14.778 1.00 71.25 C ATOM 0 HA PRO A 29 -3.470 -7.781 -12.755 1.00 10.43 H new ATOM 0 HB2 PRO A 29 -3.499 -6.707 -15.306 1.00 41.14 H new ATOM 0 HB3 PRO A 29 -2.723 -8.227 -14.907 1.00 41.14 H new ATOM 0 HG2 PRO A 29 -5.229 -7.763 -16.404 1.00 41.25 H new ATOM 0 HG3 PRO A 29 -4.228 -9.200 -16.359 1.00 41.25 H new ATOM 0 HD2 PRO A 29 -6.718 -8.800 -14.994 1.00 71.25 H new ATOM 0 HD3 PRO A 29 -5.660 -10.191 -14.858 1.00 71.25 H new ATOM 464 N THR A 30 -3.949 -5.329 -12.839 1.00 13.10 N ATOM 465 CA THR A 30 -4.364 -3.978 -12.499 1.00 71.42 C ATOM 466 C THR A 30 -4.717 -3.195 -13.765 1.00 1.42 C ATOM 467 O THR A 30 -4.136 -3.425 -14.824 1.00 71.23 O ATOM 468 CB THR A 30 -3.247 -3.333 -11.677 1.00 21.54 C ATOM 469 OG1 THR A 30 -2.049 -3.801 -12.291 1.00 52.22 O ATOM 470 CG2 THR A 30 -3.175 -3.886 -10.252 1.00 22.42 C ATOM 0 H THR A 30 -2.942 -5.488 -12.803 1.00 13.10 H new ATOM 0 HA THR A 30 -5.271 -3.983 -11.894 1.00 71.42 H new ATOM 0 HB THR A 30 -3.400 -2.254 -11.641 1.00 21.54 H new ATOM 0 HG1 THR A 30 -1.274 -3.429 -11.821 1.00 52.22 H new ATOM 0 HG21 THR A 30 -2.366 -3.395 -9.712 1.00 22.42 H new ATOM 0 HG22 THR A 30 -4.119 -3.698 -9.741 1.00 22.42 H new ATOM 0 HG23 THR A 30 -2.989 -4.959 -10.287 1.00 22.42 H new ATOM 478 N GLY A 31 -5.667 -2.284 -13.613 1.00 12.02 N ATOM 479 CA GLY A 31 -6.104 -1.465 -14.730 1.00 53.43 C ATOM 480 C GLY A 31 -6.031 0.023 -14.381 1.00 53.21 C ATOM 481 O GLY A 31 -5.138 0.450 -13.652 1.00 5.13 O ATOM 0 H GLY A 31 -6.146 -2.095 -12.733 1.00 12.02 H new ATOM 0 HA2 GLY A 31 -5.481 -1.669 -15.601 1.00 53.43 H new ATOM 0 HA3 GLY A 31 -7.126 -1.729 -15.001 1.00 53.43 H new ATOM 485 N ILE A 32 -6.983 0.772 -14.918 1.00 75.21 N ATOM 486 CA ILE A 32 -7.038 2.203 -14.672 1.00 73.13 C ATOM 487 C ILE A 32 -6.761 2.473 -13.192 1.00 62.21 C ATOM 488 O ILE A 32 -7.242 1.747 -12.324 1.00 74.50 O ATOM 489 CB ILE A 32 -8.367 2.780 -15.164 1.00 51.41 C ATOM 490 CG1 ILE A 32 -8.452 2.738 -16.691 1.00 64.02 C ATOM 491 CG2 ILE A 32 -8.587 4.192 -14.617 1.00 13.12 C ATOM 492 CD1 ILE A 32 -9.904 2.828 -17.163 1.00 34.14 C ATOM 0 H ILE A 32 -7.723 0.415 -15.523 1.00 75.21 H new ATOM 0 HA ILE A 32 -6.263 2.717 -15.241 1.00 73.13 H new ATOM 0 HB ILE A 32 -9.173 2.156 -14.780 1.00 51.41 H new ATOM 0 HG12 ILE A 32 -7.877 3.562 -17.113 1.00 64.02 H new ATOM 0 HG13 ILE A 32 -8.003 1.815 -17.058 1.00 64.02 H new ATOM 0 HG21 ILE A 32 -9.538 4.579 -14.982 1.00 13.12 H new ATOM 0 HG22 ILE A 32 -8.601 4.162 -13.528 1.00 13.12 H new ATOM 0 HG23 ILE A 32 -7.779 4.842 -14.952 1.00 13.12 H new ATOM 0 HD11 ILE A 32 -9.935 2.796 -18.252 1.00 34.14 H new ATOM 0 HD12 ILE A 32 -10.471 1.989 -16.759 1.00 34.14 H new ATOM 0 HD13 ILE A 32 -10.342 3.763 -16.815 1.00 34.14 H new ATOM 504 N PRO A 33 -5.965 3.547 -12.943 1.00 64.11 N ATOM 505 CA PRO A 33 -5.617 3.922 -11.583 1.00 72.30 C ATOM 506 C PRO A 33 -6.800 4.591 -10.880 1.00 5.43 C ATOM 507 O PRO A 33 -7.587 5.293 -11.513 1.00 4.11 O ATOM 508 CB PRO A 33 -4.413 4.838 -11.723 1.00 44.10 C ATOM 509 CG PRO A 33 -4.416 5.313 -13.167 1.00 11.42 C ATOM 510 CD PRO A 33 -5.376 4.430 -13.946 1.00 73.31 C ATOM 0 HA PRO A 33 -5.375 3.062 -10.958 1.00 72.30 H new ATOM 0 HB2 PRO A 33 -4.481 5.680 -11.035 1.00 44.10 H new ATOM 0 HB3 PRO A 33 -3.490 4.308 -11.488 1.00 44.10 H new ATOM 0 HG2 PRO A 33 -4.725 6.357 -13.225 1.00 11.42 H new ATOM 0 HG3 PRO A 33 -3.413 5.253 -13.591 1.00 11.42 H new ATOM 0 HD2 PRO A 33 -6.140 5.023 -14.449 1.00 73.31 H new ATOM 0 HD3 PRO A 33 -4.855 3.862 -14.717 1.00 73.31 H new ATOM 518 N ALA A 34 -6.887 4.351 -9.580 1.00 1.13 N ATOM 519 CA ALA A 34 -7.960 4.922 -8.784 1.00 2.35 C ATOM 520 C ALA A 34 -7.887 6.449 -8.857 1.00 64.21 C ATOM 521 O ALA A 34 -8.871 7.135 -8.586 1.00 23.24 O ATOM 522 CB ALA A 34 -7.863 4.402 -7.348 1.00 4.52 C ATOM 0 H ALA A 34 -6.232 3.769 -9.058 1.00 1.13 H new ATOM 0 HA ALA A 34 -8.931 4.619 -9.176 1.00 2.35 H new ATOM 0 HB1 ALA A 34 -8.668 4.830 -6.751 1.00 4.52 H new ATOM 0 HB2 ALA A 34 -7.950 3.315 -7.348 1.00 4.52 H new ATOM 0 HB3 ALA A 34 -6.902 4.689 -6.921 1.00 4.52 H new ATOM 528 N GLU A 35 -6.711 6.936 -9.226 1.00 21.22 N ATOM 529 CA GLU A 35 -6.496 8.369 -9.339 1.00 34.54 C ATOM 530 C GLU A 35 -7.227 8.920 -10.565 1.00 64.40 C ATOM 531 O GLU A 35 -7.233 10.128 -10.797 1.00 71.51 O ATOM 532 CB GLU A 35 -5.003 8.696 -9.396 1.00 51.53 C ATOM 533 CG GLU A 35 -4.192 7.712 -8.551 1.00 74.23 C ATOM 534 CD GLU A 35 -3.056 8.426 -7.817 1.00 21.11 C ATOM 535 OE1 GLU A 35 -1.908 8.408 -8.285 1.00 42.40 O ATOM 536 OE2 GLU A 35 -3.400 9.015 -6.722 1.00 43.52 O ATOM 0 H GLU A 35 -5.897 6.364 -9.451 1.00 21.22 H new ATOM 0 HA GLU A 35 -6.905 8.850 -8.451 1.00 34.54 H new ATOM 0 HB2 GLU A 35 -4.659 8.662 -10.430 1.00 51.53 H new ATOM 0 HB3 GLU A 35 -4.836 9.712 -9.038 1.00 51.53 H new ATOM 0 HG2 GLU A 35 -4.846 7.223 -7.829 1.00 74.23 H new ATOM 0 HG3 GLU A 35 -3.782 6.930 -9.190 1.00 74.23 H new ATOM 544 N ASP A 36 -7.824 8.008 -11.318 1.00 21.42 N ATOM 545 CA ASP A 36 -8.555 8.387 -12.515 1.00 13.34 C ATOM 546 C ASP A 36 -10.056 8.234 -12.260 1.00 71.31 C ATOM 547 O ASP A 36 -10.866 8.423 -13.167 1.00 3.04 O ATOM 548 CB ASP A 36 -8.182 7.490 -13.696 1.00 61.01 C ATOM 549 CG ASP A 36 -6.716 7.567 -14.129 1.00 14.20 C ATOM 550 OD1 ASP A 36 -6.339 7.065 -15.198 1.00 21.10 O ATOM 551 OD2 ASP A 36 -5.937 8.183 -13.306 1.00 24.40 O ATOM 0 H ASP A 36 -7.816 7.007 -11.122 1.00 21.42 H new ATOM 0 HA ASP A 36 -8.300 9.420 -12.753 1.00 13.34 H new ATOM 0 HB2 ASP A 36 -8.415 6.457 -13.436 1.00 61.01 H new ATOM 0 HB3 ASP A 36 -8.811 7.754 -14.546 1.00 61.01 H new ATOM 557 N ILE A 37 -10.382 7.892 -11.022 1.00 70.12 N ATOM 558 CA ILE A 37 -11.771 7.711 -10.637 1.00 33.30 C ATOM 559 C ILE A 37 -12.573 8.951 -11.037 1.00 1.12 C ATOM 560 O ILE A 37 -13.626 8.839 -11.662 1.00 34.04 O ATOM 561 CB ILE A 37 -11.874 7.365 -9.150 1.00 73.21 C ATOM 562 CG1 ILE A 37 -11.905 5.850 -8.940 1.00 61.55 C ATOM 563 CG2 ILE A 37 -13.079 8.057 -8.508 1.00 63.34 C ATOM 564 CD1 ILE A 37 -12.514 5.496 -7.582 1.00 52.13 C ATOM 0 H ILE A 37 -9.708 7.736 -10.273 1.00 70.12 H new ATOM 0 HA ILE A 37 -12.206 6.865 -11.169 1.00 33.30 H new ATOM 0 HB ILE A 37 -10.982 7.741 -8.650 1.00 73.21 H new ATOM 0 HG12 ILE A 37 -12.484 5.381 -9.735 1.00 61.55 H new ATOM 0 HG13 ILE A 37 -10.893 5.450 -9.004 1.00 61.55 H new ATOM 0 HG21 ILE A 37 -13.129 7.794 -7.451 1.00 63.34 H new ATOM 0 HG22 ILE A 37 -12.975 9.137 -8.609 1.00 63.34 H new ATOM 0 HG23 ILE A 37 -13.993 7.733 -9.006 1.00 63.34 H new ATOM 0 HD11 ILE A 37 -12.524 4.413 -7.459 1.00 52.13 H new ATOM 0 HD12 ILE A 37 -11.919 5.946 -6.788 1.00 52.13 H new ATOM 0 HD13 ILE A 37 -13.534 5.876 -7.531 1.00 52.13 H new ATOM 576 N PRO A 38 -12.029 10.136 -10.650 1.00 51.10 N ATOM 577 CA PRO A 38 -12.682 11.396 -10.961 1.00 41.24 C ATOM 578 C PRO A 38 -12.503 11.756 -12.438 1.00 10.43 C ATOM 579 O PRO A 38 -13.020 12.773 -12.899 1.00 64.34 O ATOM 580 CB PRO A 38 -12.049 12.410 -10.022 1.00 33.22 C ATOM 581 CG PRO A 38 -10.748 11.783 -9.548 1.00 12.15 C ATOM 582 CD PRO A 38 -10.783 10.307 -9.909 1.00 1.13 C ATOM 0 HA PRO A 38 -13.761 11.358 -10.815 1.00 41.24 H new ATOM 0 HB2 PRO A 38 -11.864 13.354 -10.534 1.00 33.22 H new ATOM 0 HB3 PRO A 38 -12.707 12.627 -9.181 1.00 33.22 H new ATOM 0 HG2 PRO A 38 -9.895 12.271 -10.020 1.00 12.15 H new ATOM 0 HG3 PRO A 38 -10.633 11.910 -8.472 1.00 12.15 H new ATOM 0 HD2 PRO A 38 -9.921 10.027 -10.514 1.00 1.13 H new ATOM 0 HD3 PRO A 38 -10.764 9.681 -9.017 1.00 1.13 H new ATOM 590 N ARG A 39 -11.770 10.903 -13.137 1.00 43.03 N ATOM 591 CA ARG A 39 -11.516 11.118 -14.552 1.00 13.42 C ATOM 592 C ARG A 39 -12.497 10.303 -15.397 1.00 23.41 C ATOM 593 O ARG A 39 -12.996 10.784 -16.412 1.00 55.33 O ATOM 594 CB ARG A 39 -10.085 10.724 -14.921 1.00 41.51 C ATOM 595 CG ARG A 39 -9.069 11.613 -14.202 1.00 5.55 C ATOM 596 CD ARG A 39 -7.735 11.639 -14.951 1.00 22.12 C ATOM 597 NE ARG A 39 -7.429 10.293 -15.485 1.00 42.12 N ATOM 598 CZ ARG A 39 -6.656 10.067 -16.569 1.00 23.35 C ATOM 599 NH1 ARG A 39 -6.103 11.097 -17.243 1.00 43.11 N ATOM 600 NH2 ARG A 39 -6.449 8.823 -16.958 1.00 64.43 N ATOM 0 H ARG A 39 -11.343 10.061 -12.750 1.00 43.03 H new ATOM 0 HA ARG A 39 -11.652 12.180 -14.756 1.00 13.42 H new ATOM 0 HB2 ARG A 39 -9.912 9.681 -14.657 1.00 41.51 H new ATOM 0 HB3 ARG A 39 -9.948 10.807 -15.999 1.00 41.51 H new ATOM 0 HG2 ARG A 39 -9.462 12.626 -14.118 1.00 5.55 H new ATOM 0 HG3 ARG A 39 -8.913 11.246 -13.187 1.00 5.55 H new ATOM 0 HD2 ARG A 39 -7.780 12.361 -15.766 1.00 22.12 H new ATOM 0 HD3 ARG A 39 -6.939 11.963 -14.281 1.00 22.12 H new ATOM 0 HE ARG A 39 -7.827 9.486 -15.004 1.00 42.12 H new ATOM 0 HH11 ARG A 39 -6.268 12.055 -16.935 1.00 43.11 H new ATOM 0 HH12 ARG A 39 -5.520 10.917 -18.061 1.00 43.11 H new ATOM 0 HH21 ARG A 39 -6.870 8.051 -16.442 1.00 64.43 H new ATOM 0 HH22 ARG A 39 -5.868 8.634 -17.775 1.00 64.43 H new ATOM 613 N LEU A 40 -12.742 9.081 -14.946 1.00 54.14 N ATOM 614 CA LEU A 40 -13.654 8.194 -15.649 1.00 31.25 C ATOM 615 C LEU A 40 -15.083 8.723 -15.509 1.00 22.14 C ATOM 616 O LEU A 40 -15.931 8.462 -16.360 1.00 35.22 O ATOM 617 CB LEU A 40 -13.481 6.754 -15.162 1.00 32.42 C ATOM 618 CG LEU A 40 -12.233 6.022 -15.660 1.00 51.42 C ATOM 619 CD1 LEU A 40 -12.195 5.982 -17.189 1.00 73.11 C ATOM 620 CD2 LEU A 40 -10.963 6.641 -15.072 1.00 35.03 C ATOM 0 H LEU A 40 -12.325 8.685 -14.104 1.00 54.14 H new ATOM 0 HA LEU A 40 -13.423 8.176 -16.714 1.00 31.25 H new ATOM 0 HB2 LEU A 40 -13.464 6.760 -14.072 1.00 32.42 H new ATOM 0 HB3 LEU A 40 -14.358 6.182 -15.464 1.00 32.42 H new ATOM 0 HG LEU A 40 -12.280 4.990 -15.311 1.00 51.42 H new ATOM 0 HD11 LEU A 40 -11.298 5.456 -17.517 1.00 73.11 H new ATOM 0 HD12 LEU A 40 -13.077 5.462 -17.561 1.00 73.11 H new ATOM 0 HD13 LEU A 40 -12.182 7.000 -17.579 1.00 73.11 H new ATOM 0 HD21 LEU A 40 -10.091 6.102 -15.442 1.00 35.03 H new ATOM 0 HD22 LEU A 40 -10.897 7.687 -15.370 1.00 35.03 H new ATOM 0 HD23 LEU A 40 -10.996 6.575 -13.984 1.00 35.03 H new ATOM 632 N ILE A 41 -15.305 9.457 -14.428 1.00 43.13 N ATOM 633 CA ILE A 41 -16.616 10.025 -14.166 1.00 11.31 C ATOM 634 C ILE A 41 -17.045 10.880 -15.360 1.00 73.45 C ATOM 635 O ILE A 41 -16.277 11.710 -15.842 1.00 43.40 O ATOM 636 CB ILE A 41 -16.616 10.783 -12.837 1.00 24.14 C ATOM 637 CG1 ILE A 41 -16.253 9.854 -11.676 1.00 72.22 C ATOM 638 CG2 ILE A 41 -17.953 11.490 -12.608 1.00 42.43 C ATOM 639 CD1 ILE A 41 -17.497 9.471 -10.871 1.00 43.50 C ATOM 0 H ILE A 41 -14.599 9.671 -13.724 1.00 43.13 H new ATOM 0 HA ILE A 41 -17.358 9.234 -14.056 1.00 11.31 H new ATOM 0 HB ILE A 41 -15.848 11.555 -12.885 1.00 24.14 H new ATOM 0 HG12 ILE A 41 -15.774 8.954 -12.062 1.00 72.22 H new ATOM 0 HG13 ILE A 41 -15.531 10.346 -11.024 1.00 72.22 H new ATOM 0 HG21 ILE A 41 -17.926 12.021 -11.656 1.00 42.43 H new ATOM 0 HG22 ILE A 41 -18.132 12.201 -13.415 1.00 42.43 H new ATOM 0 HG23 ILE A 41 -18.756 10.753 -12.589 1.00 42.43 H new ATOM 0 HD11 ILE A 41 -17.211 8.811 -10.052 1.00 43.50 H new ATOM 0 HD12 ILE A 41 -17.960 10.371 -10.467 1.00 43.50 H new ATOM 0 HD13 ILE A 41 -18.207 8.958 -11.520 1.00 43.50 H new ATOM 651 N SER A 42 -18.272 10.646 -15.804 1.00 65.22 N ATOM 652 CA SER A 42 -18.812 11.383 -16.933 1.00 52.53 C ATOM 653 C SER A 42 -18.424 10.694 -18.243 1.00 1.20 C ATOM 654 O SER A 42 -18.985 10.993 -19.296 1.00 34.41 O ATOM 655 CB SER A 42 -18.321 12.833 -16.930 1.00 73.53 C ATOM 656 OG SER A 42 -17.220 13.025 -17.814 1.00 22.13 O ATOM 0 H SER A 42 -18.907 9.956 -15.402 1.00 65.22 H new ATOM 0 HA SER A 42 -19.898 11.395 -16.845 1.00 52.53 H new ATOM 0 HB2 SER A 42 -19.138 13.493 -17.220 1.00 73.53 H new ATOM 0 HB3 SER A 42 -18.027 13.114 -15.919 1.00 73.53 H new ATOM 0 HG SER A 42 -16.426 12.583 -17.448 1.00 22.13 H new ATOM 662 N MET A 43 -17.466 9.785 -18.135 1.00 10.43 N ATOM 663 CA MET A 43 -16.996 9.051 -19.297 1.00 50.33 C ATOM 664 C MET A 43 -17.620 7.655 -19.354 1.00 11.45 C ATOM 665 O MET A 43 -17.577 6.912 -18.374 1.00 45.24 O ATOM 666 CB MET A 43 -15.472 8.927 -19.241 1.00 51.42 C ATOM 667 CG MET A 43 -14.842 10.185 -18.639 1.00 23.32 C ATOM 668 SD MET A 43 -13.294 10.541 -19.453 1.00 4.34 S ATOM 669 CE MET A 43 -12.657 8.885 -19.647 1.00 50.13 C ATOM 0 H MET A 43 -17.002 9.540 -17.260 1.00 10.43 H new ATOM 0 HA MET A 43 -17.292 9.598 -20.192 1.00 50.33 H new ATOM 0 HB2 MET A 43 -15.196 8.057 -18.645 1.00 51.42 H new ATOM 0 HB3 MET A 43 -15.080 8.764 -20.245 1.00 51.42 H new ATOM 0 HG2 MET A 43 -15.522 11.030 -18.747 1.00 23.32 H new ATOM 0 HG3 MET A 43 -14.677 10.044 -17.571 1.00 23.32 H new ATOM 0 HE1 MET A 43 -11.626 8.848 -19.296 1.00 50.13 H new ATOM 0 HE2 MET A 43 -13.263 8.191 -19.065 1.00 50.13 H new ATOM 0 HE3 MET A 43 -12.692 8.603 -20.699 1.00 50.13 H new ATOM 679 N GLN A 44 -18.186 7.341 -20.509 1.00 54.44 N ATOM 680 CA GLN A 44 -18.819 6.048 -20.706 1.00 65.02 C ATOM 681 C GLN A 44 -17.761 4.977 -20.984 1.00 15.22 C ATOM 682 O GLN A 44 -16.569 5.275 -21.032 1.00 20.01 O ATOM 683 CB GLN A 44 -19.849 6.107 -21.836 1.00 4.31 C ATOM 684 CG GLN A 44 -20.802 7.289 -21.647 1.00 33.31 C ATOM 685 CD GLN A 44 -21.108 7.966 -22.984 1.00 41.04 C ATOM 686 OE1 GLN A 44 -20.676 9.073 -23.262 1.00 65.54 O ATOM 687 NE2 GLN A 44 -21.875 7.242 -23.794 1.00 52.25 N ATOM 0 H GLN A 44 -18.220 7.960 -21.319 1.00 54.44 H new ATOM 0 HA GLN A 44 -19.348 5.781 -19.791 1.00 65.02 H new ATOM 0 HB2 GLN A 44 -19.338 6.197 -22.795 1.00 4.31 H new ATOM 0 HB3 GLN A 44 -20.418 5.177 -21.864 1.00 4.31 H new ATOM 0 HG2 GLN A 44 -21.729 6.944 -21.190 1.00 33.31 H new ATOM 0 HG3 GLN A 44 -20.359 8.012 -20.962 1.00 33.31 H new ATOM 0 HE21 GLN A 44 -22.203 6.322 -23.499 1.00 52.25 H new ATOM 0 HE22 GLN A 44 -22.136 7.606 -24.710 1.00 52.25 H new ATOM 696 N VAL A 45 -18.237 3.753 -21.159 1.00 40.11 N ATOM 697 CA VAL A 45 -17.348 2.637 -21.431 1.00 24.55 C ATOM 698 C VAL A 45 -17.569 2.150 -22.864 1.00 55.32 C ATOM 699 O VAL A 45 -18.693 2.171 -23.364 1.00 34.05 O ATOM 700 CB VAL A 45 -17.555 1.537 -20.387 1.00 72.44 C ATOM 701 CG1 VAL A 45 -16.948 1.936 -19.041 1.00 54.30 C ATOM 702 CG2 VAL A 45 -19.039 1.194 -20.240 1.00 60.31 C ATOM 0 H VAL A 45 -19.227 3.510 -21.118 1.00 40.11 H new ATOM 0 HA VAL A 45 -16.307 2.951 -21.352 1.00 24.55 H new ATOM 0 HB VAL A 45 -17.037 0.643 -20.735 1.00 72.44 H new ATOM 0 HG11 VAL A 45 -17.109 1.137 -18.318 1.00 54.30 H new ATOM 0 HG12 VAL A 45 -15.878 2.107 -19.161 1.00 54.30 H new ATOM 0 HG13 VAL A 45 -17.423 2.850 -18.684 1.00 54.30 H new ATOM 0 HG21 VAL A 45 -19.159 0.410 -19.492 1.00 60.31 H new ATOM 0 HG22 VAL A 45 -19.588 2.082 -19.926 1.00 60.31 H new ATOM 0 HG23 VAL A 45 -19.428 0.846 -21.197 1.00 60.31 H new ATOM 712 N ASN A 46 -16.480 1.724 -23.486 1.00 2.32 N ATOM 713 CA ASN A 46 -16.541 1.234 -24.852 1.00 72.32 C ATOM 714 C ASN A 46 -16.738 -0.284 -24.836 1.00 51.53 C ATOM 715 O ASN A 46 -16.314 -0.978 -25.759 1.00 5.24 O ATOM 716 CB ASN A 46 -15.243 1.534 -25.604 1.00 50.10 C ATOM 717 CG ASN A 46 -14.078 0.723 -25.032 1.00 51.44 C ATOM 718 OD1 ASN A 46 -14.147 -0.484 -24.873 1.00 74.21 O ATOM 719 ND2 ASN A 46 -13.007 1.453 -24.734 1.00 22.34 N ATOM 0 H ASN A 46 -15.549 1.708 -23.069 1.00 2.32 H new ATOM 0 HA ASN A 46 -17.371 1.733 -25.352 1.00 72.32 H new ATOM 0 HB2 ASN A 46 -15.369 1.301 -26.661 1.00 50.10 H new ATOM 0 HB3 ASN A 46 -15.017 2.598 -25.537 1.00 50.10 H new ATOM 0 HD21 ASN A 46 -12.176 1.005 -24.347 1.00 22.34 H new ATOM 0 HD22 ASN A 46 -13.016 2.461 -24.892 1.00 22.34 H new ATOM 726 N GLN A 47 -17.382 -0.753 -23.778 1.00 73.53 N ATOM 727 CA GLN A 47 -17.641 -2.176 -23.630 1.00 43.32 C ATOM 728 C GLN A 47 -18.418 -2.442 -22.339 1.00 64.54 C ATOM 729 O GLN A 47 -18.258 -1.723 -21.354 1.00 64.25 O ATOM 730 CB GLN A 47 -16.337 -2.976 -23.661 1.00 10.13 C ATOM 731 CG GLN A 47 -16.579 -4.434 -23.264 1.00 0.41 C ATOM 732 CD GLN A 47 -15.255 -5.171 -23.052 1.00 73.24 C ATOM 733 OE1 GLN A 47 -14.436 -4.575 -22.191 1.00 34.41 O flip ATOM 734 NE2 GLN A 47 -14.995 -6.212 -23.633 1.00 65.41 N flip ATOM 0 H GLN A 47 -17.732 -0.174 -23.015 1.00 73.53 H new ATOM 0 HA GLN A 47 -18.250 -2.505 -24.472 1.00 43.32 H new ATOM 0 HB2 GLN A 47 -15.904 -2.934 -24.661 1.00 10.13 H new ATOM 0 HB3 GLN A 47 -15.613 -2.526 -22.982 1.00 10.13 H new ATOM 0 HG2 GLN A 47 -17.171 -4.472 -22.350 1.00 0.41 H new ATOM 0 HG3 GLN A 47 -17.158 -4.935 -24.040 1.00 0.41 H new ATOM 0 HE21 GLN A 47 -15.670 -6.616 -24.282 1.00 65.41 H new ATOM 0 HE22 GLN A 47 -14.103 -6.678 -23.470 1.00 65.41 H new ATOM 743 N VAL A 48 -19.242 -3.478 -22.386 1.00 74.31 N ATOM 744 CA VAL A 48 -20.045 -3.849 -21.233 1.00 5.14 C ATOM 745 C VAL A 48 -19.125 -4.353 -20.118 1.00 52.51 C ATOM 746 O VAL A 48 -18.587 -5.455 -20.203 1.00 63.15 O ATOM 747 CB VAL A 48 -21.106 -4.873 -21.640 1.00 41.34 C ATOM 748 CG1 VAL A 48 -21.505 -5.751 -20.453 1.00 60.22 C ATOM 749 CG2 VAL A 48 -22.329 -4.182 -22.247 1.00 60.24 C ATOM 0 H VAL A 48 -19.371 -4.073 -23.205 1.00 74.31 H new ATOM 0 HA VAL A 48 -20.581 -2.982 -20.847 1.00 5.14 H new ATOM 0 HB VAL A 48 -20.673 -5.520 -22.403 1.00 41.34 H new ATOM 0 HG11 VAL A 48 -22.260 -6.470 -20.770 1.00 60.22 H new ATOM 0 HG12 VAL A 48 -20.629 -6.284 -20.084 1.00 60.22 H new ATOM 0 HG13 VAL A 48 -21.911 -5.125 -19.658 1.00 60.22 H new ATOM 0 HG21 VAL A 48 -23.068 -4.932 -22.528 1.00 60.24 H new ATOM 0 HG22 VAL A 48 -22.763 -3.501 -21.515 1.00 60.24 H new ATOM 0 HG23 VAL A 48 -22.028 -3.620 -23.131 1.00 60.24 H new ATOM 759 N VAL A 49 -18.974 -3.520 -19.098 1.00 62.43 N ATOM 760 CA VAL A 49 -18.129 -3.867 -17.968 1.00 60.42 C ATOM 761 C VAL A 49 -19.008 -4.158 -16.750 1.00 40.01 C ATOM 762 O VAL A 49 -19.497 -3.236 -16.099 1.00 24.23 O ATOM 763 CB VAL A 49 -17.108 -2.756 -17.717 1.00 40.23 C ATOM 764 CG1 VAL A 49 -16.035 -3.211 -16.726 1.00 40.40 C ATOM 765 CG2 VAL A 49 -16.478 -2.284 -19.029 1.00 50.32 C ATOM 0 H VAL A 49 -19.422 -2.606 -19.031 1.00 62.43 H new ATOM 0 HA VAL A 49 -17.559 -4.771 -18.181 1.00 60.42 H new ATOM 0 HB VAL A 49 -17.635 -1.910 -17.275 1.00 40.23 H new ATOM 0 HG11 VAL A 49 -15.322 -2.402 -16.565 1.00 40.40 H new ATOM 0 HG12 VAL A 49 -16.504 -3.475 -15.778 1.00 40.40 H new ATOM 0 HG13 VAL A 49 -15.514 -4.080 -17.128 1.00 40.40 H new ATOM 0 HG21 VAL A 49 -15.756 -1.494 -18.822 1.00 50.32 H new ATOM 0 HG22 VAL A 49 -15.973 -3.121 -19.512 1.00 50.32 H new ATOM 0 HG23 VAL A 49 -17.256 -1.901 -19.689 1.00 50.32 H new ATOM 775 N PRO A 50 -19.187 -5.477 -16.472 1.00 20.10 N ATOM 776 CA PRO A 50 -19.999 -5.901 -15.344 1.00 5.33 C ATOM 777 C PRO A 50 -19.256 -5.688 -14.023 1.00 44.42 C ATOM 778 O PRO A 50 -18.029 -5.591 -14.005 1.00 74.41 O ATOM 779 CB PRO A 50 -20.319 -7.361 -15.616 1.00 30.31 C ATOM 780 CG PRO A 50 -19.298 -7.828 -16.640 1.00 65.41 C ATOM 781 CD PRO A 50 -18.624 -6.596 -17.222 1.00 23.34 C ATOM 0 HA PRO A 50 -20.915 -5.319 -15.243 1.00 5.33 H new ATOM 0 HB2 PRO A 50 -20.254 -7.952 -14.702 1.00 30.31 H new ATOM 0 HB3 PRO A 50 -21.334 -7.474 -15.997 1.00 30.31 H new ATOM 0 HG2 PRO A 50 -18.561 -8.482 -16.173 1.00 65.41 H new ATOM 0 HG3 PRO A 50 -19.783 -8.405 -17.427 1.00 65.41 H new ATOM 0 HD2 PRO A 50 -17.541 -6.645 -17.107 1.00 23.34 H new ATOM 0 HD3 PRO A 50 -18.827 -6.500 -18.289 1.00 23.34 H new ATOM 789 N MET A 51 -20.029 -5.620 -12.950 1.00 35.21 N ATOM 790 CA MET A 51 -19.460 -5.420 -11.628 1.00 71.51 C ATOM 791 C MET A 51 -18.322 -6.409 -11.366 1.00 34.41 C ATOM 792 O MET A 51 -18.370 -7.551 -11.821 1.00 51.15 O ATOM 793 CB MET A 51 -20.550 -5.603 -10.570 1.00 22.32 C ATOM 794 CG MET A 51 -20.083 -5.086 -9.207 1.00 73.05 C ATOM 795 SD MET A 51 -21.385 -5.282 -8.002 1.00 2.03 S ATOM 796 CE MET A 51 -20.770 -6.701 -7.110 1.00 52.11 C ATOM 0 H MET A 51 -21.046 -5.700 -12.969 1.00 35.21 H new ATOM 0 HA MET A 51 -19.057 -4.409 -11.575 1.00 71.51 H new ATOM 0 HB2 MET A 51 -21.451 -5.071 -10.875 1.00 22.32 H new ATOM 0 HB3 MET A 51 -20.813 -6.658 -10.492 1.00 22.32 H new ATOM 0 HG2 MET A 51 -19.195 -5.631 -8.887 1.00 73.05 H new ATOM 0 HG3 MET A 51 -19.802 -4.036 -9.284 1.00 73.05 H new ATOM 0 HE1 MET A 51 -21.468 -6.961 -6.314 1.00 52.11 H new ATOM 0 HE2 MET A 51 -20.668 -7.544 -7.793 1.00 52.11 H new ATOM 0 HE3 MET A 51 -19.798 -6.465 -6.677 1.00 52.11 H new ATOM 806 N GLY A 52 -17.326 -5.935 -10.633 1.00 31.15 N ATOM 807 CA GLY A 52 -16.178 -6.763 -10.304 1.00 73.33 C ATOM 808 C GLY A 52 -15.161 -6.769 -11.447 1.00 74.05 C ATOM 809 O GLY A 52 -14.054 -7.281 -11.295 1.00 25.30 O ATOM 0 H GLY A 52 -17.290 -4.987 -10.257 1.00 31.15 H new ATOM 0 HA2 GLY A 52 -15.706 -6.392 -9.394 1.00 73.33 H new ATOM 0 HA3 GLY A 52 -16.507 -7.782 -10.099 1.00 73.33 H new ATOM 813 N THR A 53 -15.574 -6.193 -12.567 1.00 73.41 N ATOM 814 CA THR A 53 -14.713 -6.126 -13.736 1.00 12.25 C ATOM 815 C THR A 53 -13.767 -4.928 -13.632 1.00 24.43 C ATOM 816 O THR A 53 -14.203 -3.780 -13.692 1.00 73.11 O ATOM 817 CB THR A 53 -15.605 -6.090 -14.978 1.00 43.44 C ATOM 818 OG1 THR A 53 -16.444 -7.233 -14.837 1.00 42.41 O ATOM 819 CG2 THR A 53 -14.824 -6.357 -16.267 1.00 33.31 C ATOM 0 H THR A 53 -16.493 -5.769 -12.690 1.00 73.41 H new ATOM 0 HA THR A 53 -14.070 -7.003 -13.806 1.00 12.25 H new ATOM 0 HB THR A 53 -16.095 -5.119 -15.045 1.00 43.44 H new ATOM 0 HG1 THR A 53 -17.197 -7.015 -14.249 1.00 42.41 H new ATOM 0 HG21 THR A 53 -15.504 -6.320 -17.118 1.00 33.31 H new ATOM 0 HG22 THR A 53 -14.050 -5.599 -16.387 1.00 33.31 H new ATOM 0 HG23 THR A 53 -14.361 -7.342 -16.215 1.00 33.31 H new ATOM 827 N THR A 54 -12.488 -5.238 -13.477 1.00 44.42 N ATOM 828 CA THR A 54 -11.475 -4.201 -13.364 1.00 74.24 C ATOM 829 C THR A 54 -11.630 -3.180 -14.493 1.00 2.10 C ATOM 830 O THR A 54 -11.987 -3.538 -15.614 1.00 52.32 O ATOM 831 CB THR A 54 -10.104 -4.880 -13.342 1.00 53.13 C ATOM 832 OG1 THR A 54 -10.143 -5.703 -12.180 1.00 72.41 O ATOM 833 CG2 THR A 54 -8.968 -3.894 -13.063 1.00 24.51 C ATOM 0 H THR A 54 -12.130 -6.192 -13.427 1.00 44.42 H new ATOM 0 HA THR A 54 -11.588 -3.636 -12.439 1.00 74.24 H new ATOM 0 HB THR A 54 -9.928 -5.376 -14.297 1.00 53.13 H new ATOM 0 HG1 THR A 54 -9.577 -6.491 -12.318 1.00 72.41 H new ATOM 0 HG21 THR A 54 -8.017 -4.427 -13.058 1.00 24.51 H new ATOM 0 HG22 THR A 54 -8.951 -3.129 -13.839 1.00 24.51 H new ATOM 0 HG23 THR A 54 -9.125 -3.423 -12.093 1.00 24.51 H new ATOM 841 N LEU A 55 -11.353 -1.929 -14.157 1.00 43.54 N ATOM 842 CA LEU A 55 -11.456 -0.853 -15.129 1.00 13.24 C ATOM 843 C LEU A 55 -10.148 -0.754 -15.915 1.00 42.13 C ATOM 844 O LEU A 55 -9.066 -0.753 -15.330 1.00 20.51 O ATOM 845 CB LEU A 55 -11.861 0.453 -14.441 1.00 24.21 C ATOM 846 CG LEU A 55 -13.247 0.995 -14.794 1.00 10.42 C ATOM 847 CD1 LEU A 55 -13.500 0.915 -16.300 1.00 71.24 C ATOM 848 CD2 LEU A 55 -14.336 0.281 -13.991 1.00 0.24 C ATOM 0 H LEU A 55 -11.057 -1.636 -13.226 1.00 43.54 H new ATOM 0 HA LEU A 55 -12.246 -1.065 -15.850 1.00 13.24 H new ATOM 0 HB2 LEU A 55 -11.816 0.302 -13.363 1.00 24.21 H new ATOM 0 HB3 LEU A 55 -11.121 1.215 -14.687 1.00 24.21 H new ATOM 0 HG LEU A 55 -13.282 2.049 -14.518 1.00 10.42 H new ATOM 0 HD11 LEU A 55 -14.492 1.307 -16.524 1.00 71.24 H new ATOM 0 HD12 LEU A 55 -12.750 1.505 -16.827 1.00 71.24 H new ATOM 0 HD13 LEU A 55 -13.438 -0.124 -16.625 1.00 71.24 H new ATOM 0 HD21 LEU A 55 -15.311 0.685 -14.261 1.00 0.24 H new ATOM 0 HD22 LEU A 55 -14.311 -0.786 -14.213 1.00 0.24 H new ATOM 0 HD23 LEU A 55 -14.162 0.434 -12.926 1.00 0.24 H new ATOM 860 N MET A 56 -10.290 -0.673 -17.230 1.00 44.50 N ATOM 861 CA MET A 56 -9.132 -0.573 -18.103 1.00 33.40 C ATOM 862 C MET A 56 -9.178 0.712 -18.931 1.00 14.51 C ATOM 863 O MET A 56 -10.255 1.244 -19.200 1.00 24.24 O ATOM 864 CB MET A 56 -9.094 -1.783 -19.039 1.00 40.35 C ATOM 865 CG MET A 56 -9.028 -3.089 -18.246 1.00 22.04 C ATOM 866 SD MET A 56 -7.329 -3.602 -18.055 1.00 22.00 S ATOM 867 CE MET A 56 -7.304 -3.949 -16.304 1.00 53.31 C ATOM 0 H MET A 56 -11.189 -0.675 -17.712 1.00 44.50 H new ATOM 0 HA MET A 56 -8.235 -0.551 -17.485 1.00 33.40 H new ATOM 0 HB2 MET A 56 -9.980 -1.784 -19.674 1.00 40.35 H new ATOM 0 HB3 MET A 56 -8.229 -1.710 -19.698 1.00 40.35 H new ATOM 0 HG2 MET A 56 -9.488 -2.953 -17.267 1.00 22.04 H new ATOM 0 HG3 MET A 56 -9.595 -3.865 -18.760 1.00 22.04 H new ATOM 0 HE1 MET A 56 -6.278 -3.901 -15.938 1.00 53.31 H new ATOM 0 HE2 MET A 56 -7.912 -3.213 -15.778 1.00 53.31 H new ATOM 0 HE3 MET A 56 -7.706 -4.946 -16.125 1.00 53.31 H new ATOM 877 N PRO A 57 -7.966 1.188 -19.322 1.00 63.23 N ATOM 878 CA PRO A 57 -7.858 2.401 -20.114 1.00 44.31 C ATOM 879 C PRO A 57 -8.265 2.146 -21.567 1.00 13.44 C ATOM 880 O PRO A 57 -8.382 3.083 -22.356 1.00 21.42 O ATOM 881 CB PRO A 57 -6.408 2.836 -19.971 1.00 53.34 C ATOM 882 CG PRO A 57 -5.650 1.609 -19.492 1.00 11.33 C ATOM 883 CD PRO A 57 -6.670 0.585 -19.023 1.00 33.15 C ATOM 0 HA PRO A 57 -8.532 3.187 -19.773 1.00 44.31 H new ATOM 0 HB2 PRO A 57 -6.012 3.193 -20.922 1.00 53.34 H new ATOM 0 HB3 PRO A 57 -6.315 3.656 -19.258 1.00 53.34 H new ATOM 0 HG2 PRO A 57 -5.040 1.199 -20.297 1.00 11.33 H new ATOM 0 HG3 PRO A 57 -4.972 1.872 -18.680 1.00 11.33 H new ATOM 0 HD2 PRO A 57 -6.546 -0.365 -19.543 1.00 33.15 H new ATOM 0 HD3 PRO A 57 -6.565 0.381 -17.957 1.00 33.15 H new ATOM 891 N ASP A 58 -8.471 0.875 -21.875 1.00 61.55 N ATOM 892 CA ASP A 58 -8.863 0.485 -23.219 1.00 72.42 C ATOM 893 C ASP A 58 -10.352 0.131 -23.229 1.00 23.53 C ATOM 894 O ASP A 58 -10.864 -0.387 -24.220 1.00 21.00 O ATOM 895 CB ASP A 58 -8.082 -0.745 -23.686 1.00 42.01 C ATOM 896 CG ASP A 58 -6.767 -0.440 -24.407 1.00 73.24 C ATOM 897 OD1 ASP A 58 -6.561 -0.849 -25.560 1.00 33.54 O ATOM 898 OD2 ASP A 58 -5.922 0.258 -23.728 1.00 40.40 O ATOM 0 H ASP A 58 -8.374 0.101 -21.217 1.00 61.55 H new ATOM 0 HA ASP A 58 -8.653 1.320 -23.887 1.00 72.42 H new ATOM 0 HB2 ASP A 58 -7.867 -1.371 -22.820 1.00 42.01 H new ATOM 0 HB3 ASP A 58 -8.717 -1.329 -24.352 1.00 42.01 H new ATOM 904 N MET A 59 -11.004 0.424 -22.113 1.00 71.34 N ATOM 905 CA MET A 59 -12.424 0.143 -21.981 1.00 25.31 C ATOM 906 C MET A 59 -13.212 1.423 -21.695 1.00 65.22 C ATOM 907 O MET A 59 -14.387 1.366 -21.337 1.00 60.54 O ATOM 908 CB MET A 59 -12.642 -0.856 -20.843 1.00 32.30 C ATOM 909 CG MET A 59 -12.167 -2.255 -21.243 1.00 15.14 C ATOM 910 SD MET A 59 -12.788 -3.464 -20.085 1.00 70.14 S ATOM 911 CE MET A 59 -12.466 -2.616 -18.548 1.00 51.32 C ATOM 0 H MET A 59 -10.576 0.853 -21.293 1.00 71.34 H new ATOM 0 HA MET A 59 -12.781 -0.279 -22.921 1.00 25.31 H new ATOM 0 HB2 MET A 59 -12.103 -0.525 -19.955 1.00 32.30 H new ATOM 0 HB3 MET A 59 -13.699 -0.888 -20.580 1.00 32.30 H new ATOM 0 HG2 MET A 59 -12.513 -2.492 -22.249 1.00 15.14 H new ATOM 0 HG3 MET A 59 -11.078 -2.286 -21.265 1.00 15.14 H new ATOM 0 HE1 MET A 59 -11.865 -3.254 -17.899 1.00 51.32 H new ATOM 0 HE2 MET A 59 -11.925 -1.691 -18.749 1.00 51.32 H new ATOM 0 HE3 MET A 59 -13.410 -2.384 -18.055 1.00 51.32 H new ATOM 921 N VAL A 60 -12.532 2.548 -21.864 1.00 34.21 N ATOM 922 CA VAL A 60 -13.154 3.840 -21.629 1.00 32.24 C ATOM 923 C VAL A 60 -13.009 4.706 -22.881 1.00 53.32 C ATOM 924 O VAL A 60 -11.931 4.780 -23.468 1.00 42.00 O ATOM 925 CB VAL A 60 -12.555 4.489 -20.380 1.00 2.44 C ATOM 926 CG1 VAL A 60 -13.132 5.889 -20.159 1.00 42.11 C ATOM 927 CG2 VAL A 60 -12.768 3.608 -19.147 1.00 61.13 C ATOM 0 H VAL A 60 -11.557 2.591 -22.161 1.00 34.21 H new ATOM 0 HA VAL A 60 -14.221 3.722 -21.438 1.00 32.24 H new ATOM 0 HB VAL A 60 -11.481 4.590 -20.538 1.00 2.44 H new ATOM 0 HG11 VAL A 60 -12.689 6.328 -19.265 1.00 42.11 H new ATOM 0 HG12 VAL A 60 -12.905 6.516 -21.021 1.00 42.11 H new ATOM 0 HG13 VAL A 60 -14.213 5.821 -20.033 1.00 42.11 H new ATOM 0 HG21 VAL A 60 -12.332 4.093 -18.273 1.00 61.13 H new ATOM 0 HG22 VAL A 60 -13.836 3.460 -18.985 1.00 61.13 H new ATOM 0 HG23 VAL A 60 -12.288 2.642 -19.303 1.00 61.13 H new ATOM 937 N LYS A 61 -14.111 5.341 -23.254 1.00 32.43 N ATOM 938 CA LYS A 61 -14.121 6.199 -24.426 1.00 5.20 C ATOM 939 C LYS A 61 -13.671 7.606 -24.026 1.00 65.21 C ATOM 940 O LYS A 61 -13.897 8.036 -22.896 1.00 55.45 O ATOM 941 CB LYS A 61 -15.490 6.162 -25.107 1.00 33.05 C ATOM 942 CG LYS A 61 -16.247 4.882 -24.745 1.00 54.34 C ATOM 943 CD LYS A 61 -17.071 4.379 -25.933 1.00 23.23 C ATOM 944 CE LYS A 61 -18.558 4.313 -25.580 1.00 21.32 C ATOM 945 NZ LYS A 61 -19.386 4.663 -26.756 1.00 3.04 N ATOM 0 H LYS A 61 -15.004 5.278 -22.764 1.00 32.43 H new ATOM 0 HA LYS A 61 -13.412 5.836 -25.170 1.00 5.20 H new ATOM 0 HB2 LYS A 61 -16.074 7.032 -24.806 1.00 33.05 H new ATOM 0 HB3 LYS A 61 -15.364 6.221 -26.188 1.00 33.05 H new ATOM 0 HG2 LYS A 61 -15.540 4.112 -24.436 1.00 54.34 H new ATOM 0 HG3 LYS A 61 -16.904 5.071 -23.896 1.00 54.34 H new ATOM 0 HD2 LYS A 61 -16.925 5.040 -26.787 1.00 23.23 H new ATOM 0 HD3 LYS A 61 -16.720 3.391 -26.231 1.00 23.23 H new ATOM 0 HE2 LYS A 61 -18.812 3.311 -25.235 1.00 21.32 H new ATOM 0 HE3 LYS A 61 -18.774 4.997 -24.759 1.00 21.32 H new ATOM 0 HZ1 LYS A 61 -20.363 4.845 -26.451 1.00 3.04 H new ATOM 0 HZ2 LYS A 61 -19.001 5.515 -27.211 1.00 3.04 H new ATOM 0 HZ3 LYS A 61 -19.377 3.875 -27.434 1.00 3.04 H new ATOM 958 N GLY A 62 -13.041 8.283 -24.975 1.00 24.02 N ATOM 959 CA GLY A 62 -12.557 9.632 -24.736 1.00 3.13 C ATOM 960 C GLY A 62 -11.587 9.665 -23.552 1.00 52.25 C ATOM 961 O GLY A 62 -11.301 10.731 -23.009 1.00 51.14 O ATOM 0 H GLY A 62 -12.855 7.922 -25.911 1.00 24.02 H new ATOM 0 HA2 GLY A 62 -12.058 10.007 -25.630 1.00 3.13 H new ATOM 0 HA3 GLY A 62 -13.400 10.295 -24.539 1.00 3.13 H new ATOM 965 N TYR A 63 -11.108 8.485 -23.188 1.00 33.12 N ATOM 966 CA TYR A 63 -10.177 8.365 -22.079 1.00 1.31 C ATOM 967 C TYR A 63 -8.762 8.758 -22.507 1.00 5.51 C ATOM 968 O TYR A 63 -8.515 9.022 -23.683 1.00 33.50 O ATOM 969 CB TYR A 63 -10.184 6.888 -21.679 1.00 54.54 C ATOM 970 CG TYR A 63 -9.192 6.539 -20.569 1.00 1.43 C ATOM 971 CD1 TYR A 63 -9.569 6.651 -19.246 1.00 11.43 C ATOM 972 CD2 TYR A 63 -7.919 6.112 -20.889 1.00 53.44 C ATOM 973 CE1 TYR A 63 -8.635 6.323 -18.200 1.00 70.23 C ATOM 974 CE2 TYR A 63 -6.985 5.784 -19.844 1.00 32.21 C ATOM 975 CZ TYR A 63 -7.389 5.905 -18.551 1.00 12.20 C ATOM 976 OH TYR A 63 -6.507 5.595 -17.564 1.00 21.24 O ATOM 0 H TYR A 63 -11.347 7.603 -23.641 1.00 33.12 H new ATOM 0 HA TYR A 63 -10.470 9.021 -21.259 1.00 1.31 H new ATOM 0 HB2 TYR A 63 -11.188 6.615 -21.354 1.00 54.54 H new ATOM 0 HB3 TYR A 63 -9.958 6.283 -22.557 1.00 54.54 H new ATOM 0 HD1 TYR A 63 -10.565 6.985 -18.995 1.00 11.43 H new ATOM 0 HD2 TYR A 63 -7.624 6.024 -21.924 1.00 53.44 H new ATOM 0 HE1 TYR A 63 -8.917 6.407 -17.161 1.00 70.23 H new ATOM 0 HE2 TYR A 63 -5.986 5.449 -20.081 1.00 32.21 H new ATOM 0 HH TYR A 63 -6.678 6.162 -16.783 1.00 21.24 H new ATOM 986 N ALA A 64 -7.868 8.786 -21.529 1.00 12.02 N ATOM 987 CA ALA A 64 -6.484 9.143 -21.789 1.00 61.45 C ATOM 988 C ALA A 64 -5.715 9.186 -20.467 1.00 54.52 C ATOM 989 O ALA A 64 -6.313 9.337 -19.403 1.00 22.14 O ATOM 990 CB ALA A 64 -6.432 10.476 -22.538 1.00 73.23 C ATOM 0 H ALA A 64 -8.076 8.567 -20.555 1.00 12.02 H new ATOM 0 HA ALA A 64 -6.008 8.395 -22.423 1.00 61.45 H new ATOM 0 HB1 ALA A 64 -5.393 10.744 -22.733 1.00 73.23 H new ATOM 0 HB2 ALA A 64 -6.966 10.383 -23.483 1.00 73.23 H new ATOM 0 HB3 ALA A 64 -6.899 11.252 -21.932 1.00 73.23 H new ATOM 996 N PRO A 65 -4.367 9.049 -20.581 1.00 72.11 N ATOM 997 CA PRO A 65 -3.511 9.071 -19.408 1.00 2.45 C ATOM 998 C PRO A 65 -3.355 10.495 -18.870 1.00 1.23 C ATOM 999 O PRO A 65 -4.149 11.376 -19.196 1.00 44.30 O ATOM 1000 CB PRO A 65 -2.196 8.463 -19.868 1.00 53.01 C ATOM 1001 CG PRO A 65 -2.206 8.551 -21.386 1.00 25.54 C ATOM 1002 CD PRO A 65 -3.625 8.869 -21.825 1.00 71.05 C ATOM 0 HA PRO A 65 -3.926 8.505 -18.574 1.00 2.45 H new ATOM 0 HB2 PRO A 65 -1.348 9.005 -19.451 1.00 53.01 H new ATOM 0 HB3 PRO A 65 -2.107 7.428 -19.537 1.00 53.01 H new ATOM 0 HG2 PRO A 65 -1.518 9.324 -21.728 1.00 25.54 H new ATOM 0 HG3 PRO A 65 -1.872 7.611 -21.825 1.00 25.54 H new ATOM 0 HD2 PRO A 65 -3.657 9.769 -22.439 1.00 71.05 H new ATOM 0 HD3 PRO A 65 -4.045 8.060 -22.423 1.00 71.05 H new ATOM 1010 N ALA A 66 -2.326 10.676 -18.054 1.00 52.25 N ATOM 1011 CA ALA A 66 -2.056 11.978 -17.468 1.00 41.03 C ATOM 1012 C ALA A 66 -0.672 12.456 -17.914 1.00 33.33 C ATOM 1013 O ALA A 66 0.293 12.365 -17.157 1.00 21.40 O ATOM 1014 CB ALA A 66 -2.180 11.888 -15.946 1.00 4.30 C ATOM 0 H ALA A 66 -1.670 9.943 -17.785 1.00 52.25 H new ATOM 0 HA ALA A 66 -2.785 12.713 -17.811 1.00 41.03 H new ATOM 0 HB1 ALA A 66 -1.977 12.865 -15.506 1.00 4.30 H new ATOM 0 HB2 ALA A 66 -3.189 11.573 -15.681 1.00 4.30 H new ATOM 0 HB3 ALA A 66 -1.462 11.162 -15.565 1.00 4.30 H new TER 1020 ALA A 66