USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 819 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 62 LYS NZ :NH3+ 151:sc= 0.2 (180deg=0) USER MOD Set 1.2: A 70 SER OG : rot -119:sc= 0.274 USER MOD Single : A 1 VAL N :NH3+ -108:sc= -1.35 (180deg=-1.92) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 16:sc= 0.203 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -153:sc= -0.89 (180deg=-1.95!) USER MOD Single : A 17 SER OG : rot -40:sc= 0.0143 USER MOD Single : A 21 SER OG : rot 76:sc= 0.396 USER MOD Single : A 22 ASN : amide:sc= -0.0928 X(o=-0.093,f=-0.31) USER MOD Single : A 25 HIS : no HD1:sc= -3.79 K(o=-3.8,f=-3.2!) USER MOD Single : A 28 MET CE :methyl -168:sc= -3.13! (180deg=-3.24!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.452 K(o=-0.45,f=-2.8!) USER MOD Single : A 54 SER OG : rot 91:sc= -1.03 USER MOD Single : A 56 SER OG : rot 151:sc= 0.696 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.4!) USER MOD Single : A 69 ASN : amide:sc= -0.0988 K(o=-0.099,f=-1.8!) USER MOD Single : A 78 SER OG : rot 91:sc= 0.784 USER MOD Single : A 84 ASN : amide:sc= -0.625 K(o=-0.63,f=-5.4!) USER MOD Single : A 86 ASN : amide:sc= -3.88 K(o=-3.9,f=-10!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 87:sc= -0.855 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.296 K(o=-0.3,f=-2!) USER MOD Single : A 106 ASN : amide:sc= -0.0581 K(o=-0.058,f=-3.9!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.0543 X(o=-0.054,f=-0.053) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.0444 K(o=-0.044,f=-1.7!) USER MOD Single : A 117 ASN : amide:sc= -0.66 K(o=-0.66,f=-2!) USER MOD Single : A 120 ASN : amide:sc= -1.86 K(o=-1.9,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 91.312 -2.861 13.802 1.00 0.00 N ATOM 2 CA VAL A 1 90.928 -3.511 12.509 1.00 0.00 C ATOM 3 C VAL A 1 92.098 -4.328 11.953 1.00 0.00 C ATOM 4 O VAL A 1 93.242 -4.102 12.306 1.00 0.00 O ATOM 5 CB VAL A 1 90.572 -2.374 11.538 1.00 0.00 C ATOM 6 CG1 VAL A 1 89.338 -1.623 12.036 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.744 -1.402 11.425 1.00 0.00 C ATOM 0 H1 VAL A 1 90.824 -3.336 14.588 1.00 0.00 H new ATOM 0 H2 VAL A 1 92.340 -2.937 13.937 1.00 0.00 H new ATOM 0 H3 VAL A 1 91.039 -1.858 13.781 1.00 0.00 H new ATOM 0 HA VAL A 1 90.089 -4.192 12.649 1.00 0.00 H new ATOM 0 HB VAL A 1 90.360 -2.804 10.559 1.00 0.00 H new ATOM 0 HG11 VAL A 1 89.095 -0.820 11.340 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.496 -2.312 12.103 1.00 0.00 H new ATOM 0 HG13 VAL A 1 89.541 -1.201 13.020 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.485 -0.599 10.735 1.00 0.00 H new ATOM 0 HG22 VAL A 1 91.964 -0.981 12.406 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.621 -1.931 11.053 1.00 0.00 H new ATOM 17 N SER A 2 91.819 -5.277 11.094 1.00 0.00 N ATOM 18 CA SER A 2 92.913 -6.111 10.511 1.00 0.00 C ATOM 19 C SER A 2 93.074 -5.796 9.024 1.00 0.00 C ATOM 20 O SER A 2 92.112 -5.576 8.314 1.00 0.00 O ATOM 21 CB SER A 2 92.466 -7.557 10.710 1.00 0.00 C ATOM 22 OG SER A 2 91.416 -7.855 9.798 1.00 0.00 O ATOM 0 H SER A 2 90.880 -5.510 10.772 1.00 0.00 H new ATOM 0 HA SER A 2 93.876 -5.919 10.985 1.00 0.00 H new ATOM 0 HB2 SER A 2 93.305 -8.234 10.550 1.00 0.00 H new ATOM 0 HB3 SER A 2 92.126 -7.707 11.735 1.00 0.00 H new ATOM 0 HG SER A 2 91.128 -8.783 9.922 1.00 0.00 H new ATOM 28 N ILE A 3 94.296 -5.764 8.559 1.00 0.00 N ATOM 29 CA ILE A 3 94.554 -5.454 7.125 1.00 0.00 C ATOM 30 C ILE A 3 95.191 -6.650 6.417 1.00 0.00 C ATOM 31 O ILE A 3 95.927 -7.408 7.010 1.00 0.00 O ATOM 32 CB ILE A 3 95.533 -4.271 7.137 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.828 -4.659 7.862 1.00 0.00 C ATOM 34 CG2 ILE A 3 94.887 -3.077 7.847 1.00 0.00 C ATOM 35 CD1 ILE A 3 97.892 -3.593 7.599 1.00 0.00 C ATOM 0 H ILE A 3 95.131 -5.941 9.117 1.00 0.00 H new ATOM 0 HA ILE A 3 93.631 -5.223 6.593 1.00 0.00 H new ATOM 0 HB ILE A 3 95.771 -4.001 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.646 -4.751 8.933 1.00 0.00 H new ATOM 0 HG13 ILE A 3 97.176 -5.631 7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.583 -2.238 7.855 1.00 0.00 H new ATOM 0 HG22 ILE A 3 93.977 -2.789 7.320 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.640 -3.353 8.872 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.814 -3.865 8.113 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.080 -3.523 6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.541 -2.630 7.969 1.00 0.00 H new ATOM 47 N SER A 4 94.926 -6.801 5.147 1.00 0.00 N ATOM 48 CA SER A 4 95.521 -7.922 4.366 1.00 0.00 C ATOM 49 C SER A 4 95.742 -7.439 2.934 1.00 0.00 C ATOM 50 O SER A 4 95.558 -6.271 2.643 1.00 0.00 O ATOM 51 CB SER A 4 94.488 -9.046 4.406 1.00 0.00 C ATOM 52 OG SER A 4 94.642 -9.783 5.612 1.00 0.00 O ATOM 0 H SER A 4 94.314 -6.186 4.611 1.00 0.00 H new ATOM 0 HA SER A 4 96.477 -8.263 4.764 1.00 0.00 H new ATOM 0 HB2 SER A 4 93.481 -8.633 4.345 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.615 -9.703 3.546 1.00 0.00 H new ATOM 0 HG SER A 4 95.178 -9.263 6.247 1.00 0.00 H new ATOM 58 N TYR A 5 96.112 -8.311 2.032 1.00 0.00 N ATOM 59 CA TYR A 5 96.314 -7.866 0.620 1.00 0.00 C ATOM 60 C TYR A 5 95.841 -8.943 -0.365 1.00 0.00 C ATOM 61 O TYR A 5 95.946 -10.126 -0.098 1.00 0.00 O ATOM 62 CB TYR A 5 97.824 -7.622 0.492 1.00 0.00 C ATOM 63 CG TYR A 5 98.592 -8.890 0.787 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.995 -9.173 2.097 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.912 -9.773 -0.251 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.716 -10.339 2.371 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.633 -10.942 0.023 1.00 0.00 C ATOM 68 CZ TYR A 5 100.036 -11.225 1.335 1.00 0.00 C ATOM 69 OH TYR A 5 100.748 -12.375 1.606 1.00 0.00 O ATOM 0 H TYR A 5 96.282 -9.301 2.208 1.00 0.00 H new ATOM 0 HA TYR A 5 95.739 -6.970 0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 5 98.058 -7.274 -0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 5 98.131 -6.835 1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.749 -8.490 2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.603 -9.553 -1.262 1.00 0.00 H new ATOM 0 HE1 TYR A 5 100.026 -10.557 3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.878 -11.625 -0.777 1.00 0.00 H new ATOM 0 HH TYR A 5 100.885 -12.878 0.776 1.00 0.00 H new ATOM 79 N ASP A 6 95.334 -8.541 -1.510 1.00 0.00 N ATOM 80 CA ASP A 6 94.871 -9.537 -2.519 1.00 0.00 C ATOM 81 C ASP A 6 95.353 -9.131 -3.921 1.00 0.00 C ATOM 82 O ASP A 6 95.546 -7.959 -4.181 1.00 0.00 O ATOM 83 CB ASP A 6 93.343 -9.501 -2.457 1.00 0.00 C ATOM 84 CG ASP A 6 92.848 -10.120 -1.145 1.00 0.00 C ATOM 85 OD1 ASP A 6 93.581 -10.907 -0.563 1.00 0.00 O ATOM 86 OD2 ASP A 6 91.738 -9.804 -0.749 1.00 0.00 O1- ATOM 0 H ASP A 6 95.223 -7.565 -1.784 1.00 0.00 H new ATOM 0 HA ASP A 6 95.262 -10.534 -2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.993 -8.472 -2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.925 -10.045 -3.304 1.00 0.00 H new ATOM 91 N PRO A 7 95.521 -10.104 -4.795 1.00 0.00 N ATOM 92 CA PRO A 7 95.966 -9.812 -6.178 1.00 0.00 C ATOM 93 C PRO A 7 94.764 -9.524 -7.096 1.00 0.00 C ATOM 94 O PRO A 7 94.749 -9.907 -8.251 1.00 0.00 O ATOM 95 CB PRO A 7 96.658 -11.103 -6.599 1.00 0.00 C ATOM 96 CG PRO A 7 96.047 -12.189 -5.758 1.00 0.00 C ATOM 97 CD PRO A 7 95.334 -11.545 -4.589 1.00 0.00 C ATOM 0 HA PRO A 7 96.608 -8.934 -6.240 1.00 0.00 H new ATOM 0 HB2 PRO A 7 96.507 -11.299 -7.661 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.734 -11.041 -6.436 1.00 0.00 H new ATOM 0 HG2 PRO A 7 95.348 -12.779 -6.350 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.818 -12.872 -5.402 1.00 0.00 H new ATOM 0 HD2 PRO A 7 94.277 -11.810 -4.574 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.758 -11.869 -3.638 1.00 0.00 H new ATOM 105 N ILE A 8 93.761 -8.859 -6.585 1.00 0.00 N ATOM 106 CA ILE A 8 92.547 -8.540 -7.401 1.00 0.00 C ATOM 107 C ILE A 8 92.510 -7.046 -7.779 1.00 0.00 C ATOM 108 O ILE A 8 91.644 -6.623 -8.521 1.00 0.00 O ATOM 109 CB ILE A 8 91.357 -8.942 -6.510 1.00 0.00 C ATOM 110 CG1 ILE A 8 90.033 -8.610 -7.197 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.416 -8.184 -5.180 1.00 0.00 C ATOM 112 CD1 ILE A 8 89.917 -9.381 -8.514 1.00 0.00 C ATOM 0 H ILE A 8 93.729 -8.518 -5.624 1.00 0.00 H new ATOM 0 HA ILE A 8 92.532 -9.075 -8.350 1.00 0.00 H new ATOM 0 HB ILE A 8 91.418 -10.016 -6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 8 89.200 -8.866 -6.542 1.00 0.00 H new ATOM 0 HG13 ILE A 8 89.971 -7.538 -7.387 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.570 -8.475 -4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 8 92.346 -8.425 -4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 8 91.374 -7.112 -5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 8 88.970 -9.138 -8.996 1.00 0.00 H new ATOM 0 HD12 ILE A 8 90.741 -9.104 -9.172 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.957 -10.452 -8.314 1.00 0.00 H new ATOM 124 N TYR A 9 93.444 -6.255 -7.315 1.00 0.00 N ATOM 125 CA TYR A 9 93.456 -4.807 -7.689 1.00 0.00 C ATOM 126 C TYR A 9 94.775 -4.419 -8.367 1.00 0.00 C ATOM 127 O TYR A 9 95.631 -3.765 -7.811 1.00 0.00 O ATOM 128 CB TYR A 9 93.217 -4.019 -6.405 1.00 0.00 C ATOM 129 CG TYR A 9 91.848 -4.348 -5.866 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.712 -4.149 -6.663 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.715 -4.858 -4.571 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.443 -4.458 -6.161 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.447 -5.168 -4.068 1.00 0.00 C ATOM 134 CZ TYR A 9 89.312 -4.969 -4.863 1.00 0.00 C ATOM 135 OH TYR A 9 88.067 -5.268 -4.361 1.00 0.00 O ATOM 0 H TYR A 9 94.198 -6.548 -6.694 1.00 0.00 H new ATOM 0 HA TYR A 9 92.676 -4.584 -8.417 1.00 0.00 H new ATOM 0 HB2 TYR A 9 93.980 -4.265 -5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.296 -2.950 -6.601 1.00 0.00 H new ATOM 0 HD1 TYR A 9 90.816 -3.757 -7.664 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.591 -5.013 -3.959 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.567 -4.303 -6.773 1.00 0.00 H new ATOM 0 HE2 TYR A 9 90.344 -5.561 -3.067 1.00 0.00 H new ATOM 0 HH TYR A 9 88.157 -5.613 -3.448 1.00 0.00 H new ATOM 145 N ALA A 10 94.874 -4.801 -9.620 1.00 0.00 N ATOM 146 CA ALA A 10 96.056 -4.466 -10.470 1.00 0.00 C ATOM 147 C ALA A 10 95.633 -3.420 -11.509 1.00 0.00 C ATOM 148 O ALA A 10 94.474 -3.071 -11.626 1.00 0.00 O ATOM 149 CB ALA A 10 96.487 -5.773 -11.133 1.00 0.00 C ATOM 0 H ALA A 10 94.160 -5.348 -10.100 1.00 0.00 H new ATOM 0 HA ALA A 10 96.884 -4.046 -9.898 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.352 -5.590 -11.770 1.00 0.00 H new ATOM 0 HB2 ALA A 10 96.750 -6.501 -10.365 1.00 0.00 H new ATOM 0 HB3 ALA A 10 95.667 -6.162 -11.737 1.00 0.00 H new ATOM 155 N ALA A 11 96.592 -2.865 -12.204 1.00 0.00 N ATOM 156 CA ALA A 11 96.300 -1.768 -13.183 1.00 0.00 C ATOM 157 C ALA A 11 95.338 -2.175 -14.306 1.00 0.00 C ATOM 158 O ALA A 11 94.612 -1.331 -14.804 1.00 0.00 O ATOM 159 CB ALA A 11 97.655 -1.377 -13.773 1.00 0.00 C ATOM 0 H ALA A 11 97.576 -3.126 -12.136 1.00 0.00 H new ATOM 0 HA ALA A 11 95.798 -0.948 -12.669 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.518 -0.576 -14.500 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.314 -1.034 -12.975 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.101 -2.242 -14.265 1.00 0.00 H new ATOM 165 N ASP A 12 95.337 -3.409 -14.761 1.00 0.00 N ATOM 166 CA ASP A 12 94.424 -3.747 -15.904 1.00 0.00 C ATOM 167 C ASP A 12 93.029 -4.169 -15.430 1.00 0.00 C ATOM 168 O ASP A 12 92.234 -4.668 -16.206 1.00 0.00 O ATOM 169 CB ASP A 12 95.112 -4.878 -16.669 1.00 0.00 C ATOM 170 CG ASP A 12 96.357 -4.347 -17.389 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.389 -3.165 -17.694 1.00 0.00 O ATOM 172 OD2 ASP A 12 97.258 -5.136 -17.625 1.00 0.00 O1- ATOM 0 H ASP A 12 95.909 -4.175 -14.404 1.00 0.00 H new ATOM 0 HA ASP A 12 94.260 -2.873 -16.535 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.393 -5.675 -15.980 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.421 -5.311 -17.392 1.00 0.00 H new ATOM 177 N LEU A 13 92.719 -3.973 -14.177 1.00 0.00 N ATOM 178 CA LEU A 13 91.372 -4.360 -13.661 1.00 0.00 C ATOM 179 C LEU A 13 90.318 -3.366 -14.140 1.00 0.00 C ATOM 180 O LEU A 13 90.401 -2.183 -13.869 1.00 0.00 O ATOM 181 CB LEU A 13 91.485 -4.298 -12.138 1.00 0.00 C ATOM 182 CG LEU A 13 90.171 -4.785 -11.522 1.00 0.00 C ATOM 183 CD1 LEU A 13 90.007 -6.281 -11.793 1.00 0.00 C ATOM 184 CD2 LEU A 13 90.191 -4.540 -10.016 1.00 0.00 C ATOM 0 H LEU A 13 93.343 -3.559 -13.484 1.00 0.00 H new ATOM 0 HA LEU A 13 91.076 -5.349 -14.011 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.314 -4.918 -11.796 1.00 0.00 H new ATOM 0 HB3 LEU A 13 91.696 -3.278 -11.817 1.00 0.00 H new ATOM 0 HG LEU A 13 89.338 -4.240 -11.966 1.00 0.00 H new ATOM 0 HD11 LEU A 13 89.072 -6.630 -11.355 1.00 0.00 H new ATOM 0 HD12 LEU A 13 89.992 -6.456 -12.869 1.00 0.00 H new ATOM 0 HD13 LEU A 13 90.841 -6.825 -11.349 1.00 0.00 H new ATOM 0 HD21 LEU A 13 89.255 -4.887 -9.578 1.00 0.00 H new ATOM 0 HD22 LEU A 13 91.024 -5.084 -9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 13 90.309 -3.474 -9.822 1.00 0.00 H new ATOM 196 N SER A 14 89.327 -3.843 -14.842 1.00 0.00 N ATOM 197 CA SER A 14 88.257 -2.930 -15.333 1.00 0.00 C ATOM 198 C SER A 14 87.452 -2.394 -14.147 1.00 0.00 C ATOM 199 O SER A 14 87.159 -3.108 -13.206 1.00 0.00 O ATOM 200 CB SER A 14 87.383 -3.778 -16.254 1.00 0.00 C ATOM 201 OG SER A 14 88.066 -3.988 -17.483 1.00 0.00 O ATOM 0 H SER A 14 89.212 -4.824 -15.096 1.00 0.00 H new ATOM 0 HA SER A 14 88.659 -2.066 -15.863 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.157 -4.734 -15.782 1.00 0.00 H new ATOM 0 HB3 SER A 14 86.431 -3.278 -16.434 1.00 0.00 H new ATOM 0 HG SER A 14 87.510 -4.534 -18.077 1.00 0.00 H new ATOM 207 N MET A 15 87.116 -1.135 -14.183 1.00 0.00 N ATOM 208 CA MET A 15 86.349 -0.517 -13.055 1.00 0.00 C ATOM 209 C MET A 15 84.916 -1.066 -12.971 1.00 0.00 C ATOM 210 O MET A 15 84.231 -0.852 -11.988 1.00 0.00 O ATOM 211 CB MET A 15 86.326 0.985 -13.356 1.00 0.00 C ATOM 212 CG MET A 15 87.759 1.525 -13.391 1.00 0.00 C ATOM 213 SD MET A 15 88.493 1.412 -11.739 1.00 0.00 S ATOM 214 CE MET A 15 87.465 2.672 -10.946 1.00 0.00 C ATOM 0 H MET A 15 87.339 -0.500 -14.949 1.00 0.00 H new ATOM 0 HA MET A 15 86.815 -0.743 -12.096 1.00 0.00 H new ATOM 0 HB2 MET A 15 85.835 1.167 -14.312 1.00 0.00 H new ATOM 0 HB3 MET A 15 85.748 1.510 -12.595 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.355 0.956 -14.104 1.00 0.00 H new ATOM 0 HG3 MET A 15 87.760 2.561 -13.730 1.00 0.00 H new ATOM 0 HE1 MET A 15 88.010 3.114 -10.112 1.00 0.00 H new ATOM 0 HE2 MET A 15 87.218 3.448 -11.670 1.00 0.00 H new ATOM 0 HE3 MET A 15 86.547 2.214 -10.578 1.00 0.00 H new ATOM 224 N GLY A 16 84.445 -1.749 -13.986 1.00 0.00 N ATOM 225 CA GLY A 16 83.048 -2.285 -13.959 1.00 0.00 C ATOM 226 C GLY A 16 82.923 -3.465 -12.990 1.00 0.00 C ATOM 227 O GLY A 16 81.827 -3.866 -12.645 1.00 0.00 O ATOM 0 H GLY A 16 84.970 -1.959 -14.835 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.359 -1.494 -13.663 1.00 0.00 H new ATOM 0 HA3 GLY A 16 82.758 -2.602 -14.961 1.00 0.00 H new ATOM 231 N SER A 17 84.018 -4.033 -12.556 1.00 0.00 N ATOM 232 CA SER A 17 83.941 -5.195 -11.622 1.00 0.00 C ATOM 233 C SER A 17 84.005 -4.742 -10.159 1.00 0.00 C ATOM 234 O SER A 17 83.711 -5.508 -9.261 1.00 0.00 O ATOM 235 CB SER A 17 85.153 -6.057 -11.963 1.00 0.00 C ATOM 236 OG SER A 17 85.029 -7.318 -11.315 1.00 0.00 O ATOM 0 H SER A 17 84.963 -3.742 -12.808 1.00 0.00 H new ATOM 0 HA SER A 17 83.000 -5.734 -11.734 1.00 0.00 H new ATOM 0 HB2 SER A 17 85.224 -6.195 -13.042 1.00 0.00 H new ATOM 0 HB3 SER A 17 86.069 -5.560 -11.644 1.00 0.00 H new ATOM 0 HG SER A 17 84.667 -7.188 -10.414 1.00 0.00 H new ATOM 242 N VAL A 18 84.407 -3.519 -9.906 1.00 0.00 N ATOM 243 CA VAL A 18 84.511 -3.047 -8.495 1.00 0.00 C ATOM 244 C VAL A 18 83.193 -2.415 -8.028 1.00 0.00 C ATOM 245 O VAL A 18 82.327 -2.103 -8.821 1.00 0.00 O ATOM 246 CB VAL A 18 85.654 -2.025 -8.515 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.301 -0.846 -9.434 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.906 -1.511 -7.106 1.00 0.00 C ATOM 0 H VAL A 18 84.666 -2.832 -10.614 1.00 0.00 H new ATOM 0 HA VAL A 18 84.707 -3.860 -7.796 1.00 0.00 H new ATOM 0 HB VAL A 18 86.552 -2.512 -8.894 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.122 -0.129 -9.438 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.134 -1.212 -10.447 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.396 -0.359 -9.070 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.719 -0.785 -7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 18 85.002 -1.035 -6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 18 86.178 -2.344 -6.458 1.00 0.00 H new ATOM 258 N ALA A 19 83.042 -2.231 -6.740 1.00 0.00 N ATOM 259 CA ALA A 19 81.785 -1.622 -6.196 1.00 0.00 C ATOM 260 C ALA A 19 81.541 -0.246 -6.830 1.00 0.00 C ATOM 261 O ALA A 19 80.446 0.064 -7.250 1.00 0.00 O ATOM 262 CB ALA A 19 82.031 -1.482 -4.690 1.00 0.00 C ATOM 0 H ALA A 19 83.738 -2.477 -6.037 1.00 0.00 H new ATOM 0 HA ALA A 19 80.907 -2.230 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 19 81.153 -1.042 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 19 82.220 -2.465 -4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.895 -0.839 -4.521 1.00 0.00 H new ATOM 268 N CYS A 20 82.558 0.572 -6.916 1.00 0.00 N ATOM 269 CA CYS A 20 82.385 1.924 -7.548 1.00 0.00 C ATOM 270 C CYS A 20 82.448 1.740 -9.073 1.00 0.00 C ATOM 271 O CYS A 20 83.487 1.937 -9.677 1.00 0.00 O ATOM 272 CB CYS A 20 83.575 2.789 -7.078 1.00 0.00 C ATOM 273 SG CYS A 20 83.858 2.648 -5.284 1.00 0.00 S ATOM 0 H CYS A 20 83.499 0.368 -6.579 1.00 0.00 H new ATOM 0 HA CYS A 20 81.439 2.393 -7.276 1.00 0.00 H new ATOM 0 HB2 CYS A 20 84.476 2.486 -7.612 1.00 0.00 H new ATOM 0 HB3 CYS A 20 83.388 3.832 -7.334 1.00 0.00 H new ATOM 278 N SER A 21 81.369 1.311 -9.696 1.00 0.00 N ATOM 279 CA SER A 21 81.414 1.058 -11.173 1.00 0.00 C ATOM 280 C SER A 21 80.894 2.238 -12.005 1.00 0.00 C ATOM 281 O SER A 21 81.672 2.994 -12.558 1.00 0.00 O ATOM 282 CB SER A 21 80.534 -0.176 -11.383 1.00 0.00 C ATOM 283 OG SER A 21 81.360 -1.329 -11.481 1.00 0.00 O ATOM 0 H SER A 21 80.471 1.128 -9.249 1.00 0.00 H new ATOM 0 HA SER A 21 82.442 0.915 -11.506 1.00 0.00 H new ATOM 0 HB2 SER A 21 79.835 -0.284 -10.554 1.00 0.00 H new ATOM 0 HB3 SER A 21 79.938 -0.063 -12.289 1.00 0.00 H new ATOM 0 HG SER A 21 81.679 -1.579 -10.589 1.00 0.00 H new ATOM 289 N ASN A 22 79.594 2.383 -12.140 1.00 0.00 N ATOM 290 CA ASN A 22 79.059 3.496 -12.986 1.00 0.00 C ATOM 291 C ASN A 22 77.841 4.177 -12.360 1.00 0.00 C ATOM 292 O ASN A 22 77.183 4.977 -13.001 1.00 0.00 O ATOM 293 CB ASN A 22 78.649 2.814 -14.288 1.00 0.00 C ATOM 294 CG ASN A 22 78.585 3.850 -15.410 1.00 0.00 C ATOM 295 OD1 ASN A 22 77.534 4.383 -15.703 1.00 0.00 O ATOM 296 ND2 ASN A 22 79.676 4.158 -16.057 1.00 0.00 N ATOM 0 H ASN A 22 78.890 1.786 -11.706 1.00 0.00 H new ATOM 0 HA ASN A 22 79.804 4.281 -13.114 1.00 0.00 H new ATOM 0 HB2 ASN A 22 79.364 2.032 -14.542 1.00 0.00 H new ATOM 0 HB3 ASN A 22 77.679 2.332 -14.168 1.00 0.00 H new ATOM 0 HD21 ASN A 22 79.646 4.847 -16.809 1.00 0.00 H new ATOM 0 HD22 ASN A 22 80.559 3.710 -15.811 1.00 0.00 H new ATOM 303 N GLY A 23 77.535 3.880 -11.130 1.00 0.00 N ATOM 304 CA GLY A 23 76.356 4.520 -10.478 1.00 0.00 C ATOM 305 C GLY A 23 76.662 5.998 -10.244 1.00 0.00 C ATOM 306 O GLY A 23 77.433 6.606 -10.963 1.00 0.00 O ATOM 0 H GLY A 23 78.050 3.221 -10.545 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.473 4.413 -11.108 1.00 0.00 H new ATOM 0 HA3 GLY A 23 76.134 4.026 -9.532 1.00 0.00 H new ATOM 310 N ASP A 24 76.083 6.568 -9.224 1.00 0.00 N ATOM 311 CA ASP A 24 76.349 8.002 -8.900 1.00 0.00 C ATOM 312 C ASP A 24 77.808 8.178 -8.483 1.00 0.00 C ATOM 313 O ASP A 24 78.444 9.150 -8.848 1.00 0.00 O ATOM 314 CB ASP A 24 75.422 8.327 -7.725 1.00 0.00 C ATOM 315 CG ASP A 24 73.963 8.353 -8.198 1.00 0.00 C ATOM 316 OD1 ASP A 24 73.740 8.528 -9.386 1.00 0.00 O1- ATOM 317 OD2 ASP A 24 73.090 8.204 -7.358 1.00 0.00 O ATOM 0 H ASP A 24 75.431 6.100 -8.595 1.00 0.00 H new ATOM 0 HA ASP A 24 76.171 8.657 -9.753 1.00 0.00 H new ATOM 0 HB2 ASP A 24 75.544 7.583 -6.938 1.00 0.00 H new ATOM 0 HB3 ASP A 24 75.691 9.292 -7.295 1.00 0.00 H new ATOM 322 N HIS A 25 78.344 7.259 -7.725 1.00 0.00 N ATOM 323 CA HIS A 25 79.772 7.396 -7.292 1.00 0.00 C ATOM 324 C HIS A 25 80.681 6.526 -8.163 1.00 0.00 C ATOM 325 O HIS A 25 81.852 6.371 -7.870 1.00 0.00 O ATOM 326 CB HIS A 25 79.853 6.909 -5.840 1.00 0.00 C ATOM 327 CG HIS A 25 78.673 7.376 -5.035 1.00 0.00 C ATOM 328 ND1 HIS A 25 78.610 8.635 -4.466 1.00 0.00 N ATOM 329 CD2 HIS A 25 77.503 6.749 -4.702 1.00 0.00 C ATOM 330 CE1 HIS A 25 77.434 8.728 -3.823 1.00 0.00 C ATOM 331 NE2 HIS A 25 76.717 7.605 -3.935 1.00 0.00 N ATOM 0 H HIS A 25 77.863 6.425 -7.388 1.00 0.00 H new ATOM 0 HA HIS A 25 80.097 8.432 -7.386 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.898 5.820 -5.823 1.00 0.00 H new ATOM 0 HB3 HIS A 25 80.773 7.274 -5.384 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.231 5.744 -4.990 1.00 0.00 H new ATOM 0 HE1 HIS A 25 77.107 9.603 -3.281 1.00 0.00 H new ATOM 0 HE2 HIS A 25 75.794 7.416 -3.543 1.00 0.00 H new ATOM 339 N GLY A 26 80.164 5.953 -9.230 1.00 0.00 N ATOM 340 CA GLY A 26 81.018 5.094 -10.105 1.00 0.00 C ATOM 341 C GLY A 26 82.215 5.902 -10.600 1.00 0.00 C ATOM 342 O GLY A 26 82.087 7.047 -10.993 1.00 0.00 O ATOM 0 H GLY A 26 79.193 6.045 -9.527 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.360 4.219 -9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.437 4.728 -10.952 1.00 0.00 H new ATOM 346 N LEU A 27 83.371 5.302 -10.598 1.00 0.00 N ATOM 347 CA LEU A 27 84.588 6.013 -11.085 1.00 0.00 C ATOM 348 C LEU A 27 84.895 5.610 -12.537 1.00 0.00 C ATOM 349 O LEU A 27 85.798 6.138 -13.149 1.00 0.00 O ATOM 350 CB LEU A 27 85.709 5.569 -10.146 1.00 0.00 C ATOM 351 CG LEU A 27 85.427 6.090 -8.735 1.00 0.00 C ATOM 352 CD1 LEU A 27 86.402 5.449 -7.746 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.600 7.610 -8.709 1.00 0.00 C ATOM 0 H LEU A 27 83.528 4.346 -10.279 1.00 0.00 H new ATOM 0 HA LEU A 27 84.465 7.096 -11.082 1.00 0.00 H new ATOM 0 HB2 LEU A 27 85.781 4.481 -10.136 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.667 5.948 -10.501 1.00 0.00 H new ATOM 0 HG LEU A 27 84.406 5.834 -8.453 1.00 0.00 H new ATOM 0 HD11 LEU A 27 86.199 5.822 -6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 27 86.278 4.366 -7.763 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.424 5.702 -8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 27 85.399 7.982 -7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.621 7.865 -8.993 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.903 8.068 -9.411 1.00 0.00 H new ATOM 365 N MET A 28 84.143 4.687 -13.091 1.00 0.00 N ATOM 366 CA MET A 28 84.380 4.253 -14.501 1.00 0.00 C ATOM 367 C MET A 28 84.228 5.433 -15.465 1.00 0.00 C ATOM 368 O MET A 28 84.953 5.549 -16.435 1.00 0.00 O ATOM 369 CB MET A 28 83.307 3.197 -14.787 1.00 0.00 C ATOM 370 CG MET A 28 83.495 2.640 -16.201 1.00 0.00 C ATOM 371 SD MET A 28 82.092 1.579 -16.629 1.00 0.00 S ATOM 372 CE MET A 28 82.528 0.180 -15.568 1.00 0.00 C ATOM 0 H MET A 28 83.371 4.214 -12.621 1.00 0.00 H new ATOM 0 HA MET A 28 85.388 3.862 -14.635 1.00 0.00 H new ATOM 0 HB2 MET A 28 83.373 2.391 -14.056 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.315 3.637 -14.688 1.00 0.00 H new ATOM 0 HG2 MET A 28 83.577 3.458 -16.917 1.00 0.00 H new ATOM 0 HG3 MET A 28 84.424 2.072 -16.258 1.00 0.00 H new ATOM 0 HE1 MET A 28 81.913 -0.681 -15.830 1.00 0.00 H new ATOM 0 HE2 MET A 28 83.580 -0.070 -15.709 1.00 0.00 H new ATOM 0 HE3 MET A 28 82.355 0.446 -14.525 1.00 0.00 H new ATOM 382 N ALA A 29 83.261 6.286 -15.228 1.00 0.00 N ATOM 383 CA ALA A 29 83.017 7.439 -16.155 1.00 0.00 C ATOM 384 C ALA A 29 84.311 8.214 -16.452 1.00 0.00 C ATOM 385 O ALA A 29 84.883 8.089 -17.518 1.00 0.00 O ATOM 386 CB ALA A 29 82.016 8.335 -15.421 1.00 0.00 C ATOM 0 H ALA A 29 82.627 6.234 -14.430 1.00 0.00 H new ATOM 0 HA ALA A 29 82.643 7.097 -17.120 1.00 0.00 H new ATOM 0 HB1 ALA A 29 81.786 9.204 -16.037 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.101 7.775 -15.227 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.447 8.664 -14.476 1.00 0.00 H new ATOM 392 N GLN A 30 84.774 9.007 -15.517 1.00 0.00 N ATOM 393 CA GLN A 30 86.031 9.788 -15.741 1.00 0.00 C ATOM 394 C GLN A 30 87.242 8.854 -15.762 1.00 0.00 C ATOM 395 O GLN A 30 88.170 9.033 -16.527 1.00 0.00 O ATOM 396 CB GLN A 30 86.134 10.735 -14.550 1.00 0.00 C ATOM 397 CG GLN A 30 85.037 11.786 -14.642 1.00 0.00 C ATOM 398 CD GLN A 30 85.129 12.723 -13.437 1.00 0.00 C ATOM 399 OE1 GLN A 30 85.635 13.823 -13.544 1.00 0.00 O ATOM 400 NE2 GLN A 30 84.661 12.331 -12.284 1.00 0.00 N ATOM 0 H GLN A 30 84.335 9.148 -14.607 1.00 0.00 H new ATOM 0 HA GLN A 30 86.011 10.319 -16.693 1.00 0.00 H new ATOM 0 HB2 GLN A 30 86.040 10.177 -13.619 1.00 0.00 H new ATOM 0 HB3 GLN A 30 87.112 11.215 -14.537 1.00 0.00 H new ATOM 0 HG2 GLN A 30 85.139 12.354 -15.567 1.00 0.00 H new ATOM 0 HG3 GLN A 30 84.059 11.305 -14.669 1.00 0.00 H new ATOM 0 HE21 GLN A 30 84.236 11.408 -12.193 1.00 0.00 H new ATOM 0 HE22 GLN A 30 84.720 12.947 -11.473 1.00 0.00 H new ATOM 409 N TYR A 31 87.245 7.881 -14.889 1.00 0.00 N ATOM 410 CA TYR A 31 88.401 6.942 -14.801 1.00 0.00 C ATOM 411 C TYR A 31 87.958 5.499 -15.088 1.00 0.00 C ATOM 412 O TYR A 31 87.600 4.780 -14.176 1.00 0.00 O ATOM 413 CB TYR A 31 88.883 7.065 -13.350 1.00 0.00 C ATOM 414 CG TYR A 31 89.303 8.490 -13.071 1.00 0.00 C ATOM 415 CD1 TYR A 31 90.563 8.935 -13.477 1.00 0.00 C ATOM 416 CD2 TYR A 31 88.430 9.364 -12.410 1.00 0.00 C ATOM 417 CE1 TYR A 31 90.956 10.255 -13.225 1.00 0.00 C ATOM 418 CE2 TYR A 31 88.823 10.684 -12.156 1.00 0.00 C ATOM 419 CZ TYR A 31 90.086 11.130 -12.565 1.00 0.00 C ATOM 420 OH TYR A 31 90.472 12.431 -12.316 1.00 0.00 O ATOM 0 H TYR A 31 86.490 7.696 -14.228 1.00 0.00 H new ATOM 0 HA TYR A 31 89.178 7.180 -15.527 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.087 6.770 -12.666 1.00 0.00 H new ATOM 0 HB3 TYR A 31 89.720 6.389 -13.176 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.235 8.260 -13.986 1.00 0.00 H new ATOM 0 HD2 TYR A 31 87.455 9.020 -12.097 1.00 0.00 H new ATOM 0 HE1 TYR A 31 91.931 10.598 -13.540 1.00 0.00 H new ATOM 0 HE2 TYR A 31 88.152 11.358 -11.645 1.00 0.00 H new ATOM 0 HH TYR A 31 89.750 12.903 -11.851 1.00 0.00 H new ATOM 430 N PRO A 32 87.994 5.107 -16.346 1.00 0.00 N ATOM 431 CA PRO A 32 87.585 3.729 -16.706 1.00 0.00 C ATOM 432 C PRO A 32 88.669 2.709 -16.312 1.00 0.00 C ATOM 433 O PRO A 32 88.476 1.515 -16.449 1.00 0.00 O ATOM 434 CB PRO A 32 87.412 3.785 -18.220 1.00 0.00 C ATOM 435 CG PRO A 32 88.284 4.913 -18.674 1.00 0.00 C ATOM 436 CD PRO A 32 88.408 5.883 -17.526 1.00 0.00 C ATOM 0 HA PRO A 32 86.679 3.411 -16.190 1.00 0.00 H new ATOM 0 HB2 PRO A 32 87.710 2.845 -18.685 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.371 3.959 -18.491 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.265 4.543 -18.971 1.00 0.00 H new ATOM 0 HG3 PRO A 32 87.852 5.404 -19.546 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.430 6.248 -17.423 1.00 0.00 H new ATOM 0 HD3 PRO A 32 87.771 6.755 -17.672 1.00 0.00 H new ATOM 444 N THR A 33 89.802 3.163 -15.824 1.00 0.00 N ATOM 445 CA THR A 33 90.883 2.214 -15.422 1.00 0.00 C ATOM 446 C THR A 33 91.400 2.563 -14.032 1.00 0.00 C ATOM 447 O THR A 33 91.306 3.690 -13.585 1.00 0.00 O ATOM 448 CB THR A 33 91.999 2.409 -16.447 1.00 0.00 C ATOM 449 OG1 THR A 33 92.245 3.798 -16.622 1.00 0.00 O ATOM 450 CG2 THR A 33 91.591 1.787 -17.776 1.00 0.00 C ATOM 0 H THR A 33 90.021 4.150 -15.688 1.00 0.00 H new ATOM 0 HA THR A 33 90.524 1.185 -15.393 1.00 0.00 H new ATOM 0 HB THR A 33 92.907 1.924 -16.090 1.00 0.00 H new ATOM 0 HG1 THR A 33 92.962 3.923 -17.278 1.00 0.00 H new ATOM 0 HG21 THR A 33 92.390 1.928 -18.504 1.00 0.00 H new ATOM 0 HG22 THR A 33 91.410 0.721 -17.638 1.00 0.00 H new ATOM 0 HG23 THR A 33 90.681 2.266 -18.138 1.00 0.00 H new ATOM 458 N LEU A 34 91.951 1.593 -13.354 1.00 0.00 N ATOM 459 CA LEU A 34 92.488 1.841 -11.992 1.00 0.00 C ATOM 460 C LEU A 34 93.916 2.376 -12.089 1.00 0.00 C ATOM 461 O LEU A 34 94.818 1.672 -12.508 1.00 0.00 O ATOM 462 CB LEU A 34 92.469 0.469 -11.312 1.00 0.00 C ATOM 463 CG LEU A 34 93.023 0.572 -9.886 1.00 0.00 C ATOM 464 CD1 LEU A 34 92.094 1.429 -9.021 1.00 0.00 C ATOM 465 CD2 LEU A 34 93.121 -0.832 -9.286 1.00 0.00 C ATOM 0 H LEU A 34 92.051 0.635 -13.690 1.00 0.00 H new ATOM 0 HA LEU A 34 91.908 2.578 -11.437 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.450 0.083 -11.286 1.00 0.00 H new ATOM 0 HB3 LEU A 34 93.063 -0.239 -11.890 1.00 0.00 H new ATOM 0 HG LEU A 34 94.009 1.036 -9.915 1.00 0.00 H new ATOM 0 HD11 LEU A 34 92.497 1.496 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 34 92.019 2.429 -9.448 1.00 0.00 H new ATOM 0 HD13 LEU A 34 91.104 0.973 -8.988 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.514 -0.767 -8.271 1.00 0.00 H new ATOM 0 HD22 LEU A 34 92.131 -1.288 -9.263 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.787 -1.442 -9.895 1.00 0.00 H new ATOM 477 N GLY A 35 94.130 3.604 -11.709 1.00 0.00 N ATOM 478 CA GLY A 35 95.506 4.177 -11.783 1.00 0.00 C ATOM 479 C GLY A 35 95.449 5.706 -11.893 1.00 0.00 C ATOM 480 O GLY A 35 96.290 6.315 -12.529 1.00 0.00 O ATOM 0 H GLY A 35 93.414 4.236 -11.351 1.00 0.00 H new ATOM 0 HA2 GLY A 35 96.073 3.892 -10.897 1.00 0.00 H new ATOM 0 HA3 GLY A 35 96.032 3.764 -12.644 1.00 0.00 H new ATOM 484 N GLU A 36 94.476 6.333 -11.277 1.00 0.00 N ATOM 485 CA GLU A 36 94.380 7.818 -11.344 1.00 0.00 C ATOM 486 C GLU A 36 93.561 8.342 -10.163 1.00 0.00 C ATOM 487 O GLU A 36 93.974 9.260 -9.478 1.00 0.00 O ATOM 488 CB GLU A 36 93.684 8.110 -12.675 1.00 0.00 C ATOM 489 CG GLU A 36 94.697 8.691 -13.669 1.00 0.00 C ATOM 490 CD GLU A 36 94.029 8.946 -15.027 1.00 0.00 C ATOM 491 OE1 GLU A 36 93.002 8.344 -15.292 1.00 0.00 O1- ATOM 492 OE2 GLU A 36 94.571 9.730 -15.789 1.00 0.00 O ATOM 0 H GLU A 36 93.745 5.877 -10.731 1.00 0.00 H new ATOM 0 HA GLU A 36 95.353 8.305 -11.288 1.00 0.00 H new ATOM 0 HB2 GLU A 36 93.248 7.195 -13.077 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.865 8.813 -12.522 1.00 0.00 H new ATOM 0 HG2 GLU A 36 95.107 9.622 -13.278 1.00 0.00 H new ATOM 0 HG3 GLU A 36 95.532 8.002 -13.791 1.00 0.00 H new ATOM 499 N VAL A 37 92.416 7.755 -9.900 1.00 0.00 N ATOM 500 CA VAL A 37 91.595 8.214 -8.736 1.00 0.00 C ATOM 501 C VAL A 37 92.418 7.982 -7.445 1.00 0.00 C ATOM 502 O VAL A 37 92.708 8.921 -6.732 1.00 0.00 O ATOM 503 CB VAL A 37 90.294 7.377 -8.810 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.661 7.181 -7.424 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.291 8.107 -9.706 1.00 0.00 C ATOM 0 H VAL A 37 92.018 6.984 -10.437 1.00 0.00 H new ATOM 0 HA VAL A 37 91.340 9.274 -8.745 1.00 0.00 H new ATOM 0 HB VAL A 37 90.545 6.395 -9.212 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.751 6.589 -7.520 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.364 6.662 -6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.418 8.153 -6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.369 7.528 -9.767 1.00 0.00 H new ATOM 0 HG22 VAL A 37 89.075 9.089 -9.286 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.713 8.224 -10.704 1.00 0.00 H new ATOM 515 N PRO A 38 92.810 6.745 -7.208 1.00 0.00 N ATOM 516 CA PRO A 38 93.649 6.440 -6.024 1.00 0.00 C ATOM 517 C PRO A 38 95.099 6.833 -6.317 1.00 0.00 C ATOM 518 O PRO A 38 95.852 7.203 -5.437 1.00 0.00 O ATOM 519 CB PRO A 38 93.550 4.925 -5.889 1.00 0.00 C ATOM 520 CG PRO A 38 93.237 4.428 -7.263 1.00 0.00 C ATOM 521 CD PRO A 38 92.514 5.531 -7.990 1.00 0.00 C ATOM 0 HA PRO A 38 93.333 6.970 -5.125 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.484 4.501 -5.520 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.770 4.643 -5.181 1.00 0.00 H new ATOM 0 HG2 PRO A 38 94.152 4.157 -7.790 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.619 3.531 -7.215 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.865 5.626 -9.018 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.442 5.340 -8.036 1.00 0.00 H new ATOM 529 N GLY A 39 95.491 6.727 -7.560 1.00 0.00 N ATOM 530 CA GLY A 39 96.886 7.055 -7.962 1.00 0.00 C ATOM 531 C GLY A 39 97.415 5.888 -8.795 1.00 0.00 C ATOM 532 O GLY A 39 97.703 6.035 -9.964 1.00 0.00 O ATOM 0 H GLY A 39 94.890 6.421 -8.325 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.911 7.979 -8.539 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.511 7.212 -7.083 1.00 0.00 H new ATOM 536 N PHE A 40 97.483 4.722 -8.182 1.00 0.00 N ATOM 537 CA PHE A 40 97.934 3.444 -8.857 1.00 0.00 C ATOM 538 C PHE A 40 98.348 2.395 -7.794 1.00 0.00 C ATOM 539 O PHE A 40 97.919 1.260 -7.862 1.00 0.00 O ATOM 540 CB PHE A 40 99.128 3.758 -9.807 1.00 0.00 C ATOM 541 CG PHE A 40 99.774 2.477 -10.326 1.00 0.00 C ATOM 542 CD1 PHE A 40 98.991 1.346 -10.613 1.00 0.00 C ATOM 543 CD2 PHE A 40 101.158 2.431 -10.525 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.592 0.179 -11.093 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.759 1.261 -11.010 1.00 0.00 C ATOM 546 CZ PHE A 40 100.975 0.136 -11.292 1.00 0.00 C ATOM 0 H PHE A 40 97.234 4.597 -7.201 1.00 0.00 H new ATOM 0 HA PHE A 40 97.111 3.032 -9.441 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.779 4.358 -10.647 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.871 4.354 -9.277 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.922 1.379 -10.462 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.764 3.297 -10.305 1.00 0.00 H new ATOM 0 HE1 PHE A 40 98.988 -0.690 -11.310 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.827 1.228 -11.166 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.439 -0.766 -11.664 1.00 0.00 H new ATOM 556 N PRO A 41 99.205 2.790 -6.863 1.00 0.00 N ATOM 557 CA PRO A 41 99.708 1.865 -5.827 1.00 0.00 C ATOM 558 C PRO A 41 98.997 2.079 -4.485 1.00 0.00 C ATOM 559 O PRO A 41 99.496 1.679 -3.449 1.00 0.00 O ATOM 560 CB PRO A 41 101.166 2.307 -5.705 1.00 0.00 C ATOM 561 CG PRO A 41 101.191 3.751 -6.158 1.00 0.00 C ATOM 562 CD PRO A 41 99.806 4.103 -6.655 1.00 0.00 C ATOM 0 HA PRO A 41 99.559 0.815 -6.079 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.520 2.212 -4.679 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.816 1.690 -6.325 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.479 4.405 -5.335 1.00 0.00 H new ATOM 0 HG3 PRO A 41 101.928 3.891 -6.949 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.251 4.693 -5.926 1.00 0.00 H new ATOM 0 HD3 PRO A 41 99.841 4.685 -7.576 1.00 0.00 H new ATOM 570 N ASN A 42 97.857 2.718 -4.486 1.00 0.00 N ATOM 571 CA ASN A 42 97.139 2.971 -3.202 1.00 0.00 C ATOM 572 C ASN A 42 95.649 2.677 -3.362 1.00 0.00 C ATOM 573 O ASN A 42 94.805 3.520 -3.115 1.00 0.00 O ATOM 574 CB ASN A 42 97.374 4.451 -2.922 1.00 0.00 C ATOM 575 CG ASN A 42 98.755 4.639 -2.288 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.323 3.710 -1.748 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.327 5.811 -2.331 1.00 0.00 N ATOM 0 H ASN A 42 97.392 3.076 -5.320 1.00 0.00 H new ATOM 0 HA ASN A 42 97.493 2.337 -2.389 1.00 0.00 H new ATOM 0 HB2 ASN A 42 97.307 5.022 -3.848 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.601 4.833 -2.255 1.00 0.00 H new ATOM 0 HD21 ASN A 42 100.247 5.945 -1.912 1.00 0.00 H new ATOM 0 HD22 ASN A 42 98.854 6.593 -2.783 1.00 0.00 H new ATOM 584 N VAL A 43 95.328 1.486 -3.783 1.00 0.00 N ATOM 585 CA VAL A 43 93.900 1.113 -3.979 1.00 0.00 C ATOM 586 C VAL A 43 93.594 -0.222 -3.291 1.00 0.00 C ATOM 587 O VAL A 43 94.398 -1.141 -3.288 1.00 0.00 O ATOM 588 CB VAL A 43 93.725 1.025 -5.497 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.559 -0.128 -6.069 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.250 0.803 -5.815 1.00 0.00 C ATOM 0 H VAL A 43 95.999 0.749 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 43 93.212 1.836 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 43 94.067 1.955 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.422 -0.175 -7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.612 0.038 -5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.236 -1.068 -5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 43 92.116 0.739 -6.895 1.00 0.00 H new ATOM 0 HG22 VAL A 43 91.914 -0.125 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.664 1.636 -5.426 1.00 0.00 H new ATOM 600 N GLY A 44 92.426 -0.325 -2.704 1.00 0.00 N ATOM 601 CA GLY A 44 92.037 -1.587 -2.011 1.00 0.00 C ATOM 602 C GLY A 44 90.571 -1.513 -1.584 1.00 0.00 C ATOM 603 O GLY A 44 89.905 -0.518 -1.788 1.00 0.00 O ATOM 0 H GLY A 44 91.725 0.415 -2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.190 -2.439 -2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.672 -1.744 -1.139 1.00 0.00 H new ATOM 607 N GLY A 45 90.076 -2.560 -0.974 1.00 0.00 N ATOM 608 CA GLY A 45 88.662 -2.561 -0.505 1.00 0.00 C ATOM 609 C GLY A 45 88.619 -1.945 0.887 1.00 0.00 C ATOM 610 O GLY A 45 89.600 -1.977 1.612 1.00 0.00 O ATOM 0 H GLY A 45 90.595 -3.417 -0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 45 88.034 -1.993 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.270 -3.578 -0.482 1.00 0.00 H new ATOM 614 N ILE A 46 87.500 -1.390 1.275 1.00 0.00 N ATOM 615 CA ILE A 46 87.409 -0.774 2.630 1.00 0.00 C ATOM 616 C ILE A 46 86.006 -1.018 3.228 1.00 0.00 C ATOM 617 O ILE A 46 85.079 -1.341 2.510 1.00 0.00 O ATOM 618 CB ILE A 46 87.712 0.714 2.408 1.00 0.00 C ATOM 619 CG1 ILE A 46 86.689 1.314 1.451 1.00 0.00 C ATOM 620 CG2 ILE A 46 89.109 0.856 1.795 1.00 0.00 C ATOM 621 CD1 ILE A 46 86.454 2.784 1.810 1.00 0.00 C ATOM 0 H ILE A 46 86.650 -1.337 0.714 1.00 0.00 H new ATOM 0 HA ILE A 46 88.109 -1.203 3.347 1.00 0.00 H new ATOM 0 HB ILE A 46 87.665 1.237 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 46 87.044 1.232 0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 46 85.752 0.760 1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 46 89.330 1.911 1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.849 0.429 2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.143 0.329 0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 46 85.722 3.213 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 46 86.080 2.854 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 46 87.392 3.333 1.729 1.00 0.00 H new ATOM 633 N PRO A 47 85.903 -0.902 4.534 1.00 0.00 N ATOM 634 CA PRO A 47 84.612 -1.173 5.234 1.00 0.00 C ATOM 635 C PRO A 47 83.515 -0.134 4.949 1.00 0.00 C ATOM 636 O PRO A 47 82.354 -0.392 5.215 1.00 0.00 O ATOM 637 CB PRO A 47 84.997 -1.132 6.712 1.00 0.00 C ATOM 638 CG PRO A 47 86.219 -0.277 6.767 1.00 0.00 C ATOM 639 CD PRO A 47 86.961 -0.509 5.483 1.00 0.00 C ATOM 0 HA PRO A 47 84.182 -2.117 4.900 1.00 0.00 H new ATOM 0 HB2 PRO A 47 84.194 -0.713 7.318 1.00 0.00 H new ATOM 0 HB3 PRO A 47 85.197 -2.132 7.096 1.00 0.00 H new ATOM 0 HG2 PRO A 47 85.952 0.774 6.876 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.838 -0.540 7.625 1.00 0.00 H new ATOM 0 HD2 PRO A 47 87.481 0.390 5.153 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.713 -1.291 5.591 1.00 0.00 H new ATOM 647 N ASP A 48 83.845 1.035 4.455 1.00 0.00 N ATOM 648 CA ASP A 48 82.776 2.063 4.217 1.00 0.00 C ATOM 649 C ASP A 48 82.232 2.020 2.780 1.00 0.00 C ATOM 650 O ASP A 48 81.707 3.001 2.289 1.00 0.00 O ATOM 651 CB ASP A 48 83.438 3.408 4.511 1.00 0.00 C ATOM 652 CG ASP A 48 82.368 4.442 4.873 1.00 0.00 C ATOM 653 OD1 ASP A 48 81.279 4.355 4.330 1.00 0.00 O1- ATOM 654 OD2 ASP A 48 82.657 5.302 5.688 1.00 0.00 O ATOM 0 H ASP A 48 84.792 1.322 4.209 1.00 0.00 H new ATOM 0 HA ASP A 48 81.912 1.879 4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.148 3.303 5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 48 84.003 3.744 3.641 1.00 0.00 H new ATOM 659 N ILE A 49 82.316 0.894 2.114 1.00 0.00 N ATOM 660 CA ILE A 49 81.760 0.793 0.725 1.00 0.00 C ATOM 661 C ILE A 49 80.677 -0.293 0.698 1.00 0.00 C ATOM 662 O ILE A 49 80.938 -1.440 1.010 1.00 0.00 O ATOM 663 CB ILE A 49 82.951 0.419 -0.157 1.00 0.00 C ATOM 664 CG1 ILE A 49 84.017 1.521 -0.045 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.498 0.262 -1.615 1.00 0.00 C ATOM 666 CD1 ILE A 49 83.513 2.837 -0.644 1.00 0.00 C ATOM 0 H ILE A 49 82.745 0.040 2.471 1.00 0.00 H new ATOM 0 HA ILE A 49 81.297 1.717 0.379 1.00 0.00 H new ATOM 0 HB ILE A 49 83.372 -0.530 0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 49 84.281 1.672 1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 49 84.925 1.207 -0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 49 83.354 -0.004 -2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.745 -0.523 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 49 82.073 1.202 -1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 49 84.287 3.599 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 49 83.273 2.689 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 49 82.619 3.161 -0.111 1.00 0.00 H new ATOM 678 N ALA A 50 79.460 0.057 0.349 1.00 0.00 N ATOM 679 CA ALA A 50 78.359 -0.959 0.328 1.00 0.00 C ATOM 680 C ALA A 50 78.430 -1.852 -0.906 1.00 0.00 C ATOM 681 O ALA A 50 78.267 -3.056 -0.803 1.00 0.00 O ATOM 682 CB ALA A 50 77.063 -0.148 0.329 1.00 0.00 C ATOM 0 H ALA A 50 79.183 1.001 0.078 1.00 0.00 H new ATOM 0 HA ALA A 50 78.430 -1.630 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 50 76.210 -0.826 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.021 0.469 1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 50 77.034 0.492 -0.553 1.00 0.00 H new ATOM 688 N GLY A 51 78.662 -1.295 -2.067 1.00 0.00 N ATOM 689 CA GLY A 51 78.725 -2.153 -3.281 1.00 0.00 C ATOM 690 C GLY A 51 78.714 -1.312 -4.562 1.00 0.00 C ATOM 691 O GLY A 51 79.327 -0.268 -4.650 1.00 0.00 O ATOM 0 H GLY A 51 78.808 -0.298 -2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 51 79.629 -2.762 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.878 -2.839 -3.287 1.00 0.00 H new ATOM 695 N TRP A 52 78.024 -1.798 -5.562 1.00 0.00 N ATOM 696 CA TRP A 52 77.936 -1.111 -6.893 1.00 0.00 C ATOM 697 C TRP A 52 77.768 0.414 -6.796 1.00 0.00 C ATOM 698 O TRP A 52 78.192 1.129 -7.689 1.00 0.00 O ATOM 699 CB TRP A 52 76.695 -1.707 -7.565 1.00 0.00 C ATOM 700 CG TRP A 52 76.642 -1.226 -8.984 1.00 0.00 C ATOM 701 CD1 TRP A 52 77.429 -1.679 -9.986 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.788 -0.198 -9.568 1.00 0.00 C ATOM 703 NE1 TRP A 52 77.113 -0.997 -11.147 1.00 0.00 N ATOM 704 CE2 TRP A 52 76.106 -0.075 -10.941 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.778 0.628 -9.045 1.00 0.00 C ATOM 706 CZ2 TRP A 52 75.448 0.838 -11.765 1.00 0.00 C ATOM 707 CZ3 TRP A 52 74.111 1.548 -9.872 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.447 1.652 -11.229 1.00 0.00 C ATOM 0 H TRP A 52 77.500 -2.672 -5.511 1.00 0.00 H new ATOM 0 HA TRP A 52 78.863 -1.267 -7.444 1.00 0.00 H new ATOM 0 HB2 TRP A 52 76.735 -2.796 -7.536 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.794 -1.407 -7.030 1.00 0.00 H new ATOM 0 HD1 TRP A 52 78.182 -2.448 -9.895 1.00 0.00 H new ATOM 0 HE1 TRP A 52 77.568 -1.156 -12.046 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.513 0.555 -8.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.710 0.915 -12.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.336 2.178 -9.460 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.932 2.361 -11.860 1.00 0.00 H new ATOM 719 N ASP A 53 77.155 0.924 -5.756 1.00 0.00 N ATOM 720 CA ASP A 53 76.967 2.402 -5.664 1.00 0.00 C ATOM 721 C ASP A 53 77.156 2.896 -4.227 1.00 0.00 C ATOM 722 O ASP A 53 76.273 3.508 -3.652 1.00 0.00 O ATOM 723 CB ASP A 53 75.529 2.640 -6.134 1.00 0.00 C ATOM 724 CG ASP A 53 75.225 4.141 -6.140 1.00 0.00 C ATOM 725 OD1 ASP A 53 76.025 4.884 -6.684 1.00 0.00 O1- ATOM 726 OD2 ASP A 53 74.198 4.520 -5.602 1.00 0.00 O ATOM 0 H ASP A 53 76.781 0.386 -4.975 1.00 0.00 H new ATOM 0 HA ASP A 53 77.696 2.943 -6.267 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.391 2.228 -7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 53 74.832 2.121 -5.476 1.00 0.00 H new ATOM 731 N SER A 54 78.298 2.633 -3.644 1.00 0.00 N ATOM 732 CA SER A 54 78.539 3.087 -2.242 1.00 0.00 C ATOM 733 C SER A 54 78.655 4.619 -2.207 1.00 0.00 C ATOM 734 O SER A 54 79.171 5.212 -3.134 1.00 0.00 O ATOM 735 CB SER A 54 79.857 2.440 -1.825 1.00 0.00 C ATOM 736 OG SER A 54 79.785 1.039 -2.052 1.00 0.00 O ATOM 0 H SER A 54 79.070 2.126 -4.076 1.00 0.00 H new ATOM 0 HA SER A 54 77.727 2.806 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 54 80.682 2.870 -2.393 1.00 0.00 H new ATOM 0 HB3 SER A 54 80.056 2.640 -0.772 1.00 0.00 H new ATOM 0 HG SER A 54 80.112 0.836 -2.953 1.00 0.00 H new ATOM 742 N PRO A 55 78.161 5.223 -1.148 1.00 0.00 N ATOM 743 CA PRO A 55 78.216 6.701 -1.035 1.00 0.00 C ATOM 744 C PRO A 55 79.634 7.191 -0.716 1.00 0.00 C ATOM 745 O PRO A 55 79.918 8.370 -0.819 1.00 0.00 O ATOM 746 CB PRO A 55 77.280 7.010 0.128 1.00 0.00 C ATOM 747 CG PRO A 55 77.263 5.766 0.957 1.00 0.00 C ATOM 748 CD PRO A 55 77.515 4.608 0.027 1.00 0.00 C ATOM 0 HA PRO A 55 77.932 7.194 -1.965 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.637 7.863 0.705 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.280 7.261 -0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 55 78.028 5.810 1.733 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.303 5.653 1.461 1.00 0.00 H new ATOM 0 HD2 PRO A 55 78.158 3.859 0.489 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.586 4.107 -0.246 1.00 0.00 H new ATOM 756 N SER A 56 80.515 6.309 -0.305 1.00 0.00 N ATOM 757 CA SER A 56 81.896 6.753 0.045 1.00 0.00 C ATOM 758 C SER A 56 82.903 6.399 -1.057 1.00 0.00 C ATOM 759 O SER A 56 84.096 6.372 -0.816 1.00 0.00 O ATOM 760 CB SER A 56 82.232 6.012 1.338 1.00 0.00 C ATOM 761 OG SER A 56 81.391 6.489 2.380 1.00 0.00 O ATOM 0 H SER A 56 80.337 5.310 -0.198 1.00 0.00 H new ATOM 0 HA SER A 56 81.949 7.836 0.159 1.00 0.00 H new ATOM 0 HB2 SER A 56 82.093 4.939 1.204 1.00 0.00 H new ATOM 0 HB3 SER A 56 83.279 6.167 1.599 1.00 0.00 H new ATOM 0 HG SER A 56 81.247 5.776 3.037 1.00 0.00 H new ATOM 767 N CYS A 57 82.450 6.124 -2.257 1.00 0.00 N ATOM 768 CA CYS A 57 83.419 5.783 -3.346 1.00 0.00 C ATOM 769 C CYS A 57 84.208 7.041 -3.728 1.00 0.00 C ATOM 770 O CYS A 57 83.660 8.125 -3.808 1.00 0.00 O ATOM 771 CB CYS A 57 82.579 5.297 -4.530 1.00 0.00 C ATOM 772 SG CYS A 57 82.262 3.520 -4.407 1.00 0.00 S ATOM 0 H CYS A 57 81.466 6.121 -2.527 1.00 0.00 H new ATOM 0 HA CYS A 57 84.132 5.018 -3.037 1.00 0.00 H new ATOM 0 HB2 CYS A 57 81.633 5.839 -4.557 1.00 0.00 H new ATOM 0 HB3 CYS A 57 83.098 5.515 -5.463 1.00 0.00 H new ATOM 777 N GLY A 58 85.485 6.901 -3.973 1.00 0.00 N ATOM 778 CA GLY A 58 86.315 8.082 -4.363 1.00 0.00 C ATOM 779 C GLY A 58 86.661 8.916 -3.127 1.00 0.00 C ATOM 780 O GLY A 58 86.876 10.110 -3.218 1.00 0.00 O ATOM 0 H GLY A 58 85.991 6.017 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 58 87.230 7.747 -4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.773 8.694 -5.084 1.00 0.00 H new ATOM 784 N THR A 59 86.723 8.296 -1.977 1.00 0.00 N ATOM 785 CA THR A 59 87.065 9.046 -0.731 1.00 0.00 C ATOM 786 C THR A 59 88.492 8.707 -0.285 1.00 0.00 C ATOM 787 O THR A 59 88.931 7.580 -0.339 1.00 0.00 O ATOM 788 CB THR A 59 86.030 8.608 0.310 1.00 0.00 C ATOM 789 OG1 THR A 59 84.735 8.974 -0.141 1.00 0.00 O ATOM 790 CG2 THR A 59 86.309 9.301 1.647 1.00 0.00 C ATOM 0 H THR A 59 86.551 7.299 -1.847 1.00 0.00 H new ATOM 0 HA THR A 59 87.037 10.126 -0.877 1.00 0.00 H new ATOM 0 HB THR A 59 86.089 7.528 0.445 1.00 0.00 H new ATOM 0 HG1 THR A 59 84.067 8.695 0.520 1.00 0.00 H new ATOM 0 HG21 THR A 59 85.569 8.985 2.382 1.00 0.00 H new ATOM 0 HG22 THR A 59 87.306 9.031 1.996 1.00 0.00 H new ATOM 0 HG23 THR A 59 86.251 10.382 1.516 1.00 0.00 H new ATOM 798 N CYS A 60 89.210 9.710 0.131 1.00 0.00 N ATOM 799 CA CYS A 60 90.630 9.520 0.566 1.00 0.00 C ATOM 800 C CYS A 60 90.695 8.972 1.999 1.00 0.00 C ATOM 801 O CYS A 60 90.053 9.477 2.900 1.00 0.00 O ATOM 802 CB CYS A 60 91.229 10.926 0.490 1.00 0.00 C ATOM 803 SG CYS A 60 92.975 10.902 0.980 1.00 0.00 S ATOM 0 H CYS A 60 88.872 10.671 0.191 1.00 0.00 H new ATOM 0 HA CYS A 60 91.167 8.801 -0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 60 91.136 11.313 -0.525 1.00 0.00 H new ATOM 0 HB3 CYS A 60 90.672 11.600 1.141 1.00 0.00 H new ATOM 808 N TRP A 61 91.479 7.946 2.209 1.00 0.00 N ATOM 809 CA TRP A 61 91.618 7.346 3.572 1.00 0.00 C ATOM 810 C TRP A 61 93.106 7.110 3.876 1.00 0.00 C ATOM 811 O TRP A 61 93.896 6.921 2.972 1.00 0.00 O ATOM 812 CB TRP A 61 90.880 6.010 3.482 1.00 0.00 C ATOM 813 CG TRP A 61 89.404 6.221 3.354 1.00 0.00 C ATOM 814 CD1 TRP A 61 88.705 5.993 2.222 1.00 0.00 C ATOM 815 CD2 TRP A 61 88.429 6.657 4.355 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.372 6.261 2.454 1.00 0.00 N ATOM 817 CE2 TRP A 61 87.148 6.676 3.751 1.00 0.00 C ATOM 818 CE3 TRP A 61 88.523 7.038 5.708 1.00 0.00 C ATOM 819 CZ2 TRP A 61 86.006 7.054 4.459 1.00 0.00 C ATOM 820 CZ3 TRP A 61 87.374 7.418 6.422 1.00 0.00 C ATOM 821 CH2 TRP A 61 86.120 7.426 5.799 1.00 0.00 C ATOM 0 H TRP A 61 92.036 7.492 1.485 1.00 0.00 H new ATOM 0 HA TRP A 61 91.218 7.985 4.360 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.246 5.445 2.625 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.090 5.414 4.370 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.122 5.655 1.285 1.00 0.00 H new ATOM 0 HE1 TRP A 61 86.639 6.164 1.751 1.00 0.00 H new ATOM 0 HE3 TRP A 61 89.485 7.038 6.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 85.041 7.059 3.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 87.459 7.706 7.459 1.00 0.00 H new ATOM 0 HH2 TRP A 61 85.242 7.720 6.355 1.00 0.00 H new ATOM 832 N LYS A 62 93.504 7.128 5.128 1.00 0.00 N ATOM 833 CA LYS A 62 94.950 6.909 5.465 1.00 0.00 C ATOM 834 C LYS A 62 95.109 5.705 6.400 1.00 0.00 C ATOM 835 O LYS A 62 94.329 5.513 7.315 1.00 0.00 O ATOM 836 CB LYS A 62 95.389 8.196 6.161 1.00 0.00 C ATOM 837 CG LYS A 62 96.898 8.153 6.409 1.00 0.00 C ATOM 838 CD LYS A 62 97.336 9.441 7.106 1.00 0.00 C ATOM 839 CE LYS A 62 98.863 9.480 7.188 1.00 0.00 C ATOM 840 NZ LYS A 62 99.196 8.822 8.482 1.00 0.00 N1+ ATOM 0 H LYS A 62 92.892 7.284 5.929 1.00 0.00 H new ATOM 0 HA LYS A 62 95.551 6.696 4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.135 9.059 5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 62 94.858 8.311 7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.152 7.290 7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 62 97.430 8.039 5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 62 96.968 10.308 6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 62 96.906 9.491 8.106 1.00 0.00 H new ATOM 0 HE2 LYS A 62 99.317 8.953 6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 62 99.234 10.505 7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 100.131 8.372 8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 99.210 9.534 9.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 98.480 8.100 8.699 1.00 0.00 H new ATOM 854 N VAL A 63 96.106 4.882 6.160 1.00 0.00 N ATOM 855 CA VAL A 63 96.313 3.669 7.015 1.00 0.00 C ATOM 856 C VAL A 63 97.619 3.769 7.822 1.00 0.00 C ATOM 857 O VAL A 63 98.683 4.009 7.280 1.00 0.00 O ATOM 858 CB VAL A 63 96.377 2.497 6.025 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.589 1.183 6.785 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.069 2.416 5.227 1.00 0.00 C ATOM 0 H VAL A 63 96.785 5.000 5.408 1.00 0.00 H new ATOM 0 HA VAL A 63 95.515 3.551 7.748 1.00 0.00 H new ATOM 0 HB VAL A 63 97.210 2.659 5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.633 0.356 6.076 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.524 1.233 7.344 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.761 1.025 7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.121 1.582 4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.234 2.263 5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 63 94.921 3.345 4.676 1.00 0.00 H new ATOM 870 N THR A 64 97.529 3.595 9.119 1.00 0.00 N ATOM 871 CA THR A 64 98.734 3.681 10.004 1.00 0.00 C ATOM 872 C THR A 64 98.959 2.349 10.737 1.00 0.00 C ATOM 873 O THR A 64 98.016 1.702 11.156 1.00 0.00 O ATOM 874 CB THR A 64 98.378 4.771 11.017 1.00 0.00 C ATOM 875 OG1 THR A 64 97.916 5.925 10.328 1.00 0.00 O ATOM 876 CG2 THR A 64 99.613 5.129 11.844 1.00 0.00 C ATOM 0 H THR A 64 96.657 3.394 9.609 1.00 0.00 H new ATOM 0 HA THR A 64 99.644 3.897 9.444 1.00 0.00 H new ATOM 0 HB THR A 64 97.594 4.405 11.681 1.00 0.00 H new ATOM 0 HG1 THR A 64 97.686 6.623 10.976 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.356 5.906 12.564 1.00 0.00 H new ATOM 0 HG22 THR A 64 99.965 4.244 12.374 1.00 0.00 H new ATOM 0 HG23 THR A 64 100.400 5.493 11.184 1.00 0.00 H new ATOM 884 N ILE A 65 100.197 1.929 10.893 1.00 0.00 N ATOM 885 CA ILE A 65 100.466 0.629 11.597 1.00 0.00 C ATOM 886 C ILE A 65 101.341 0.852 12.852 1.00 0.00 C ATOM 887 O ILE A 65 101.928 1.904 13.011 1.00 0.00 O ATOM 888 CB ILE A 65 101.169 -0.252 10.555 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.454 0.430 10.072 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.237 -0.470 9.362 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.433 -0.634 9.570 1.00 0.00 C ATOM 0 H ILE A 65 101.026 2.426 10.566 1.00 0.00 H new ATOM 0 HA ILE A 65 99.552 0.158 11.960 1.00 0.00 H new ATOM 0 HB ILE A 65 101.419 -1.210 11.010 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.226 1.137 9.274 1.00 0.00 H new ATOM 0 HG13 ILE A 65 102.904 1.001 10.884 1.00 0.00 H new ATOM 0 HG21 ILE A 65 100.735 -1.095 8.621 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.324 -0.962 9.698 1.00 0.00 H new ATOM 0 HG23 ILE A 65 99.987 0.492 8.915 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.348 -0.153 9.226 1.00 0.00 H new ATOM 0 HD12 ILE A 65 103.668 -1.323 10.381 1.00 0.00 H new ATOM 0 HD13 ILE A 65 102.980 -1.185 8.746 1.00 0.00 H new ATOM 903 N PRO A 66 101.373 -0.143 13.728 1.00 0.00 N ATOM 904 CA PRO A 66 102.153 -0.040 15.005 1.00 0.00 C ATOM 905 C PRO A 66 103.660 0.138 14.780 1.00 0.00 C ATOM 906 O PRO A 66 104.346 0.714 15.605 1.00 0.00 O ATOM 907 CB PRO A 66 101.868 -1.375 15.700 1.00 0.00 C ATOM 908 CG PRO A 66 101.486 -2.299 14.599 1.00 0.00 C ATOM 909 CD PRO A 66 100.709 -1.459 13.627 1.00 0.00 C ATOM 0 HA PRO A 66 101.859 0.836 15.584 1.00 0.00 H new ATOM 0 HB2 PRO A 66 102.745 -1.738 16.235 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.066 -1.277 16.432 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.367 -2.733 14.127 1.00 0.00 H new ATOM 0 HG3 PRO A 66 100.884 -3.127 14.972 1.00 0.00 H new ATOM 0 HD2 PRO A 66 100.759 -1.861 12.615 1.00 0.00 H new ATOM 0 HD3 PRO A 66 99.654 -1.401 13.895 1.00 0.00 H new ATOM 917 N ASN A 67 104.181 -0.345 13.684 1.00 0.00 N ATOM 918 CA ASN A 67 105.650 -0.196 13.418 1.00 0.00 C ATOM 919 C ASN A 67 106.016 1.288 13.308 1.00 0.00 C ATOM 920 O ASN A 67 107.040 1.730 13.793 1.00 0.00 O ATOM 921 CB ASN A 67 105.890 -0.911 12.086 1.00 0.00 C ATOM 922 CG ASN A 67 107.381 -0.882 11.737 1.00 0.00 C ATOM 923 OD1 ASN A 67 108.127 -0.070 12.248 1.00 0.00 O ATOM 924 ND2 ASN A 67 107.850 -1.746 10.880 1.00 0.00 N ATOM 0 H ASN A 67 103.658 -0.836 12.960 1.00 0.00 H new ATOM 0 HA ASN A 67 106.260 -0.616 14.218 1.00 0.00 H new ATOM 0 HB2 ASN A 67 105.543 -1.942 12.150 1.00 0.00 H new ATOM 0 HB3 ASN A 67 105.314 -0.429 11.296 1.00 0.00 H new ATOM 0 HD21 ASN A 67 108.841 -1.739 10.640 1.00 0.00 H new ATOM 0 HD22 ASN A 67 107.226 -2.428 10.450 1.00 0.00 H new ATOM 931 N GLY A 68 105.167 2.046 12.674 1.00 0.00 N ATOM 932 CA GLY A 68 105.428 3.505 12.520 1.00 0.00 C ATOM 933 C GLY A 68 105.574 3.849 11.041 1.00 0.00 C ATOM 934 O GLY A 68 106.593 4.348 10.603 1.00 0.00 O ATOM 0 H GLY A 68 104.298 1.716 12.253 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.611 4.078 12.957 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.335 3.781 13.058 1.00 0.00 H new ATOM 938 N ASN A 69 104.549 3.600 10.279 1.00 0.00 N ATOM 939 CA ASN A 69 104.580 3.920 8.827 1.00 0.00 C ATOM 940 C ASN A 69 103.146 3.998 8.319 1.00 0.00 C ATOM 941 O ASN A 69 102.261 3.357 8.859 1.00 0.00 O ATOM 942 CB ASN A 69 105.334 2.766 8.162 1.00 0.00 C ATOM 943 CG ASN A 69 105.632 3.128 6.705 1.00 0.00 C ATOM 944 OD1 ASN A 69 105.778 4.288 6.374 1.00 0.00 O ATOM 945 ND2 ASN A 69 105.727 2.179 5.814 1.00 0.00 N ATOM 0 H ASN A 69 103.678 3.182 10.606 1.00 0.00 H new ATOM 0 HA ASN A 69 105.067 4.871 8.611 1.00 0.00 H new ATOM 0 HB2 ASN A 69 106.263 2.568 8.697 1.00 0.00 H new ATOM 0 HB3 ASN A 69 104.739 1.854 8.208 1.00 0.00 H new ATOM 0 HD21 ASN A 69 105.924 2.411 4.840 1.00 0.00 H new ATOM 0 HD22 ASN A 69 105.605 1.205 6.091 1.00 0.00 H new ATOM 952 N SER A 70 102.898 4.785 7.308 1.00 0.00 N ATOM 953 CA SER A 70 101.506 4.904 6.796 1.00 0.00 C ATOM 954 C SER A 70 101.480 5.247 5.309 1.00 0.00 C ATOM 955 O SER A 70 102.416 5.793 4.757 1.00 0.00 O ATOM 956 CB SER A 70 100.885 6.032 7.619 1.00 0.00 C ATOM 957 OG SER A 70 101.511 7.262 7.275 1.00 0.00 O ATOM 0 H SER A 70 103.594 5.347 6.818 1.00 0.00 H new ATOM 0 HA SER A 70 100.961 3.965 6.893 1.00 0.00 H new ATOM 0 HB2 SER A 70 99.813 6.090 7.428 1.00 0.00 H new ATOM 0 HB3 SER A 70 101.009 5.832 8.683 1.00 0.00 H new ATOM 0 HG SER A 70 101.943 7.642 8.068 1.00 0.00 H new ATOM 963 N ILE A 71 100.388 4.940 4.675 1.00 0.00 N ATOM 964 CA ILE A 71 100.208 5.233 3.230 1.00 0.00 C ATOM 965 C ILE A 71 98.794 5.763 3.038 1.00 0.00 C ATOM 966 O ILE A 71 97.948 5.564 3.892 1.00 0.00 O ATOM 967 CB ILE A 71 100.382 3.891 2.501 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.381 2.860 3.029 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.803 3.370 2.710 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.397 1.630 2.120 1.00 0.00 C ATOM 0 H ILE A 71 99.588 4.484 5.113 1.00 0.00 H new ATOM 0 HA ILE A 71 100.916 5.969 2.850 1.00 0.00 H new ATOM 0 HB ILE A 71 100.201 4.048 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.638 2.576 4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.380 3.291 3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.922 2.419 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.517 4.091 2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 71 101.985 3.228 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.685 0.893 2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.120 1.922 1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.397 1.197 2.112 1.00 0.00 H new ATOM 982 N PHE A 72 98.512 6.423 1.945 1.00 0.00 N ATOM 983 CA PHE A 72 97.125 6.930 1.757 1.00 0.00 C ATOM 984 C PHE A 72 96.382 6.012 0.789 1.00 0.00 C ATOM 985 O PHE A 72 96.791 5.826 -0.336 1.00 0.00 O ATOM 986 CB PHE A 72 97.272 8.335 1.170 1.00 0.00 C ATOM 987 CG PHE A 72 97.924 9.247 2.182 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.137 9.935 3.114 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.314 9.414 2.180 1.00 0.00 C ATOM 990 CE1 PHE A 72 97.742 10.788 4.046 1.00 0.00 C ATOM 991 CE2 PHE A 72 99.918 10.265 3.114 1.00 0.00 C ATOM 992 CZ PHE A 72 99.132 10.953 4.045 1.00 0.00 C ATOM 0 H PHE A 72 99.167 6.629 1.191 1.00 0.00 H new ATOM 0 HA PHE A 72 96.559 6.954 2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.872 8.298 0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 72 96.294 8.727 0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.064 9.808 3.114 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.920 8.887 1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.136 11.318 4.765 1.00 0.00 H new ATOM 0 HE2 PHE A 72 100.991 10.390 3.116 1.00 0.00 H new ATOM 0 HZ PHE A 72 99.598 11.612 4.763 1.00 0.00 H new ATOM 1002 N ILE A 73 95.294 5.444 1.230 1.00 0.00 N ATOM 1003 CA ILE A 73 94.500 4.533 0.353 1.00 0.00 C ATOM 1004 C ILE A 73 93.178 5.205 0.006 1.00 0.00 C ATOM 1005 O ILE A 73 92.499 5.708 0.877 1.00 0.00 O ATOM 1006 CB ILE A 73 94.274 3.264 1.185 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.629 2.636 1.559 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.440 2.258 0.384 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.412 2.267 0.290 1.00 0.00 C ATOM 0 H ILE A 73 94.916 5.572 2.169 1.00 0.00 H new ATOM 0 HA ILE A 73 95.003 4.300 -0.585 1.00 0.00 H new ATOM 0 HB ILE A 73 93.738 3.527 2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 73 96.208 3.336 2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 73 95.470 1.746 2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 73 93.283 1.359 0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.476 2.701 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 73 93.967 1.997 -0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.368 1.824 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.837 1.551 -0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 73 96.587 3.164 -0.303 1.00 0.00 H new ATOM 1021 N ARG A 74 92.806 5.243 -1.248 1.00 0.00 N ATOM 1022 CA ARG A 74 91.526 5.908 -1.607 1.00 0.00 C ATOM 1023 C ARG A 74 90.442 4.849 -1.787 1.00 0.00 C ATOM 1024 O ARG A 74 90.641 3.840 -2.436 1.00 0.00 O ATOM 1025 CB ARG A 74 91.822 6.657 -2.904 1.00 0.00 C ATOM 1026 CG ARG A 74 90.653 7.568 -3.274 1.00 0.00 C ATOM 1027 CD ARG A 74 90.994 8.295 -4.576 1.00 0.00 C ATOM 1028 NE ARG A 74 89.881 9.259 -4.793 1.00 0.00 N ATOM 1029 CZ ARG A 74 90.086 10.332 -5.507 1.00 0.00 C ATOM 1030 NH1 ARG A 74 91.134 11.077 -5.278 1.00 0.00 N1+ ATOM 1031 NH2 ARG A 74 89.248 10.658 -6.453 1.00 0.00 N ATOM 0 H ARG A 74 93.329 4.846 -2.028 1.00 0.00 H new ATOM 0 HA ARG A 74 91.163 6.594 -0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.730 7.249 -2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 74 92.005 5.945 -3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.741 6.983 -3.395 1.00 0.00 H new ATOM 0 HG3 ARG A 74 90.467 8.287 -2.477 1.00 0.00 H new ATOM 0 HD2 ARG A 74 91.951 8.811 -4.499 1.00 0.00 H new ATOM 0 HD3 ARG A 74 91.075 7.595 -5.407 1.00 0.00 H new ATOM 0 HE ARG A 74 88.963 9.082 -4.386 1.00 0.00 H new ATOM 0 HH11 ARG A 74 91.791 10.820 -4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 74 91.295 11.916 -5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 74 88.432 10.074 -6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 74 89.409 11.497 -7.010 1.00 0.00 H new ATOM 1045 N GLY A 75 89.293 5.072 -1.195 1.00 0.00 N ATOM 1046 CA GLY A 75 88.174 4.088 -1.295 1.00 0.00 C ATOM 1047 C GLY A 75 87.916 3.744 -2.757 1.00 0.00 C ATOM 1048 O GLY A 75 88.087 4.564 -3.640 1.00 0.00 O ATOM 0 H GLY A 75 89.083 5.903 -0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.422 3.184 -0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 75 87.272 4.503 -0.845 1.00 0.00 H new ATOM 1052 N VAL A 76 87.522 2.532 -3.013 1.00 0.00 N ATOM 1053 CA VAL A 76 87.263 2.094 -4.414 1.00 0.00 C ATOM 1054 C VAL A 76 86.572 0.720 -4.425 1.00 0.00 C ATOM 1055 O VAL A 76 85.758 0.457 -5.281 1.00 0.00 O ATOM 1056 CB VAL A 76 88.651 2.034 -5.078 1.00 0.00 C ATOM 1057 CG1 VAL A 76 89.576 1.092 -4.302 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.519 1.552 -6.531 1.00 0.00 C ATOM 0 H VAL A 76 87.366 1.815 -2.304 1.00 0.00 H new ATOM 0 HA VAL A 76 86.598 2.773 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 76 89.082 3.035 -5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 76 90.553 1.062 -4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.688 1.453 -3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 76 89.147 0.090 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.506 1.513 -6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 76 88.072 0.558 -6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 76 87.886 2.243 -7.087 1.00 0.00 H new ATOM 1068 N ASP A 77 86.871 -0.150 -3.488 1.00 0.00 N ATOM 1069 CA ASP A 77 86.214 -1.499 -3.461 1.00 0.00 C ATOM 1070 C ASP A 77 85.675 -1.754 -2.053 1.00 0.00 C ATOM 1071 O ASP A 77 85.941 -1.004 -1.135 1.00 0.00 O ATOM 1072 CB ASP A 77 87.294 -2.561 -3.778 1.00 0.00 C ATOM 1073 CG ASP A 77 88.432 -2.005 -4.645 1.00 0.00 C ATOM 1074 OD1 ASP A 77 88.147 -1.278 -5.574 1.00 0.00 O ATOM 1075 OD2 ASP A 77 89.572 -2.319 -4.349 1.00 0.00 O1- ATOM 0 H ASP A 77 87.543 0.016 -2.739 1.00 0.00 H new ATOM 0 HA ASP A 77 85.401 -1.547 -4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 77 87.707 -2.944 -2.845 1.00 0.00 H new ATOM 0 HB3 ASP A 77 86.830 -3.404 -4.291 1.00 0.00 H new ATOM 1080 N SER A 78 84.926 -2.813 -1.880 1.00 0.00 N ATOM 1081 CA SER A 78 84.374 -3.135 -0.531 1.00 0.00 C ATOM 1082 C SER A 78 85.254 -4.186 0.152 1.00 0.00 C ATOM 1083 O SER A 78 85.750 -5.097 -0.484 1.00 0.00 O ATOM 1084 CB SER A 78 82.976 -3.689 -0.794 1.00 0.00 C ATOM 1085 OG SER A 78 82.320 -3.915 0.447 1.00 0.00 O ATOM 0 H SER A 78 84.673 -3.470 -2.618 1.00 0.00 H new ATOM 0 HA SER A 78 84.344 -2.266 0.126 1.00 0.00 H new ATOM 0 HB2 SER A 78 82.402 -2.988 -1.400 1.00 0.00 H new ATOM 0 HB3 SER A 78 83.041 -4.619 -1.359 1.00 0.00 H new ATOM 0 HG SER A 78 81.826 -3.110 0.707 1.00 0.00 H new ATOM 1091 N GLY A 79 85.443 -4.069 1.442 1.00 0.00 N ATOM 1092 CA GLY A 79 86.282 -5.061 2.173 1.00 0.00 C ATOM 1093 C GLY A 79 85.401 -5.834 3.152 1.00 0.00 C ATOM 1094 O GLY A 79 84.480 -5.289 3.732 1.00 0.00 O ATOM 0 H GLY A 79 85.050 -3.326 2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 79 86.753 -5.747 1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 79 87.084 -4.553 2.709 1.00 0.00 H new ATOM 1098 N ARG A 80 85.681 -7.095 3.346 1.00 0.00 N ATOM 1099 CA ARG A 80 84.868 -7.908 4.296 1.00 0.00 C ATOM 1100 C ARG A 80 85.451 -7.824 5.710 1.00 0.00 C ATOM 1101 O ARG A 80 86.435 -8.461 6.030 1.00 0.00 O ATOM 1102 CB ARG A 80 84.942 -9.341 3.769 1.00 0.00 C ATOM 1103 CG ARG A 80 84.149 -9.448 2.463 1.00 0.00 C ATOM 1104 CD ARG A 80 84.201 -10.889 1.947 1.00 0.00 C ATOM 1105 NE ARG A 80 83.406 -10.876 0.685 1.00 0.00 N ATOM 1106 CZ ARG A 80 84.014 -10.872 -0.472 1.00 0.00 C ATOM 1107 NH1 ARG A 80 85.095 -10.161 -0.642 1.00 0.00 N1+ ATOM 1108 NH2 ARG A 80 83.537 -11.580 -1.460 1.00 0.00 N ATOM 0 H ARG A 80 86.440 -7.598 2.886 1.00 0.00 H new ATOM 0 HA ARG A 80 83.840 -7.552 4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 80 85.981 -9.624 3.600 1.00 0.00 H new ATOM 0 HB3 ARG A 80 84.539 -10.033 4.509 1.00 0.00 H new ATOM 0 HG2 ARG A 80 83.114 -9.147 2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 80 84.563 -8.769 1.718 1.00 0.00 H new ATOM 0 HD2 ARG A 80 85.228 -11.206 1.763 1.00 0.00 H new ATOM 0 HD3 ARG A 80 83.778 -11.584 2.673 1.00 0.00 H new ATOM 0 HE ARG A 80 82.387 -10.870 0.725 1.00 0.00 H new ATOM 0 HH11 ARG A 80 85.467 -9.607 0.129 1.00 0.00 H new ATOM 0 HH12 ARG A 80 85.568 -10.160 -1.546 1.00 0.00 H new ATOM 0 HH21 ARG A 80 82.691 -12.135 -1.328 1.00 0.00 H new ATOM 0 HH22 ARG A 80 84.010 -11.578 -2.364 1.00 0.00 H new ATOM 1122 N GLY A 81 84.825 -7.048 6.563 1.00 0.00 N ATOM 1123 CA GLY A 81 85.295 -6.909 7.978 1.00 0.00 C ATOM 1124 C GLY A 81 86.796 -6.599 8.050 1.00 0.00 C ATOM 1125 O GLY A 81 87.542 -7.315 8.694 1.00 0.00 O ATOM 0 H GLY A 81 83.997 -6.498 6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 81 84.735 -6.114 8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.087 -7.830 8.523 1.00 0.00 H new ATOM 1129 N GLY A 82 87.246 -5.536 7.422 1.00 0.00 N ATOM 1130 CA GLY A 82 88.700 -5.207 7.504 1.00 0.00 C ATOM 1131 C GLY A 82 89.143 -4.286 6.363 1.00 0.00 C ATOM 1132 O GLY A 82 88.353 -3.642 5.702 1.00 0.00 O ATOM 0 H GLY A 82 86.679 -4.895 6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 82 88.910 -4.727 8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.283 -6.128 7.474 1.00 0.00 H new ATOM 1136 N PHE A 83 90.433 -4.225 6.167 1.00 0.00 N ATOM 1137 CA PHE A 83 91.046 -3.360 5.114 1.00 0.00 C ATOM 1138 C PHE A 83 91.895 -4.232 4.185 1.00 0.00 C ATOM 1139 O PHE A 83 92.811 -4.890 4.637 1.00 0.00 O ATOM 1140 CB PHE A 83 91.968 -2.426 5.919 1.00 0.00 C ATOM 1141 CG PHE A 83 91.906 -0.996 5.443 1.00 0.00 C ATOM 1142 CD1 PHE A 83 91.821 -0.681 4.079 1.00 0.00 C ATOM 1143 CD2 PHE A 83 91.966 0.026 6.392 1.00 0.00 C ATOM 1144 CE1 PHE A 83 91.789 0.661 3.674 1.00 0.00 C ATOM 1145 CE2 PHE A 83 91.935 1.360 5.991 1.00 0.00 C ATOM 1146 CZ PHE A 83 91.844 1.683 4.631 1.00 0.00 C ATOM 0 H PHE A 83 91.111 -4.758 6.712 1.00 0.00 H new ATOM 0 HA PHE A 83 90.316 -2.828 4.504 1.00 0.00 H new ATOM 0 HB2 PHE A 83 91.690 -2.467 6.972 1.00 0.00 H new ATOM 0 HB3 PHE A 83 92.995 -2.785 5.847 1.00 0.00 H new ATOM 0 HD1 PHE A 83 91.780 -1.470 3.343 1.00 0.00 H new ATOM 0 HD2 PHE A 83 92.037 -0.218 7.442 1.00 0.00 H new ATOM 0 HE1 PHE A 83 91.722 0.907 2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 83 91.981 2.146 6.730 1.00 0.00 H new ATOM 0 HZ PHE A 83 91.816 2.717 4.321 1.00 0.00 H new ATOM 1156 N ASN A 84 91.626 -4.241 2.896 1.00 0.00 N ATOM 1157 CA ASN A 84 92.472 -5.080 1.985 1.00 0.00 C ATOM 1158 C ASN A 84 93.064 -4.208 0.878 1.00 0.00 C ATOM 1159 O ASN A 84 92.355 -3.450 0.244 1.00 0.00 O ATOM 1160 CB ASN A 84 91.532 -6.134 1.406 1.00 0.00 C ATOM 1161 CG ASN A 84 92.362 -7.213 0.711 1.00 0.00 C ATOM 1162 OD1 ASN A 84 92.495 -7.212 -0.497 1.00 0.00 O ATOM 1163 ND2 ASN A 84 92.934 -8.138 1.431 1.00 0.00 N ATOM 0 H ASN A 84 90.876 -3.717 2.446 1.00 0.00 H new ATOM 0 HA ASN A 84 93.308 -5.544 2.508 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.928 -6.576 2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 84 90.842 -5.675 0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 84 93.494 -8.862 0.980 1.00 0.00 H new ATOM 0 HD22 ASN A 84 92.822 -8.138 2.445 1.00 0.00 H new ATOM 1170 N VAL A 85 94.349 -4.286 0.654 1.00 0.00 N ATOM 1171 CA VAL A 85 94.969 -3.429 -0.403 1.00 0.00 C ATOM 1172 C VAL A 85 95.888 -4.244 -1.313 1.00 0.00 C ATOM 1173 O VAL A 85 96.146 -5.408 -1.074 1.00 0.00 O ATOM 1174 CB VAL A 85 95.777 -2.372 0.362 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.830 -1.536 1.225 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.818 -3.052 1.264 1.00 0.00 C ATOM 0 H VAL A 85 94.993 -4.900 1.152 1.00 0.00 H new ATOM 0 HA VAL A 85 94.212 -2.986 -1.050 1.00 0.00 H new ATOM 0 HB VAL A 85 96.290 -1.730 -0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.402 -0.784 1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 85 94.097 -1.042 0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.316 -2.185 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.385 -2.292 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.312 -3.701 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.497 -3.646 0.652 1.00 0.00 H new ATOM 1186 N ASN A 86 96.378 -3.635 -2.365 1.00 0.00 N ATOM 1187 CA ASN A 86 97.287 -4.367 -3.305 1.00 0.00 C ATOM 1188 C ASN A 86 98.469 -4.981 -2.534 1.00 0.00 C ATOM 1189 O ASN A 86 98.811 -4.509 -1.469 1.00 0.00 O ATOM 1190 CB ASN A 86 97.817 -3.298 -4.264 1.00 0.00 C ATOM 1191 CG ASN A 86 96.684 -2.766 -5.141 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.523 -2.940 -4.833 1.00 0.00 O ATOM 1193 ND2 ASN A 86 96.983 -2.110 -6.229 1.00 0.00 N ATOM 0 H ASN A 86 96.189 -2.664 -2.614 1.00 0.00 H new ATOM 0 HA ASN A 86 96.766 -5.175 -3.819 1.00 0.00 H new ATOM 0 HB2 ASN A 86 98.263 -2.480 -3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.604 -3.719 -4.890 1.00 0.00 H new ATOM 0 HD21 ASN A 86 96.240 -1.742 -6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 86 97.960 -1.965 -6.485 1.00 0.00 H new ATOM 1200 N PRO A 87 99.067 -6.007 -3.098 1.00 0.00 N ATOM 1201 CA PRO A 87 100.223 -6.649 -2.433 1.00 0.00 C ATOM 1202 C PRO A 87 101.439 -5.721 -2.483 1.00 0.00 C ATOM 1203 O PRO A 87 102.359 -5.877 -1.708 1.00 0.00 O ATOM 1204 CB PRO A 87 100.456 -7.924 -3.236 1.00 0.00 C ATOM 1205 CG PRO A 87 99.875 -7.640 -4.584 1.00 0.00 C ATOM 1206 CD PRO A 87 98.747 -6.658 -4.381 1.00 0.00 C ATOM 0 HA PRO A 87 100.049 -6.862 -1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.518 -8.159 -3.305 1.00 0.00 H new ATOM 0 HB3 PRO A 87 99.970 -8.780 -2.768 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.632 -7.226 -5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.510 -8.557 -5.047 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.697 -5.934 -5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.781 -7.162 -4.343 1.00 0.00 H new ATOM 1214 N THR A 88 101.450 -4.744 -3.361 1.00 0.00 N ATOM 1215 CA THR A 88 102.607 -3.802 -3.415 1.00 0.00 C ATOM 1216 C THR A 88 102.453 -2.760 -2.305 1.00 0.00 C ATOM 1217 O THR A 88 103.407 -2.416 -1.632 1.00 0.00 O ATOM 1218 CB THR A 88 102.542 -3.156 -4.794 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.305 -4.156 -5.775 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.859 -2.441 -5.099 1.00 0.00 C ATOM 0 H THR A 88 100.709 -4.562 -4.038 1.00 0.00 H new ATOM 0 HA THR A 88 103.566 -4.297 -3.265 1.00 0.00 H new ATOM 0 HB THR A 88 101.730 -2.429 -4.810 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.261 -3.741 -6.662 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.804 -1.982 -6.086 1.00 0.00 H new ATOM 0 HG22 THR A 88 104.036 -1.669 -4.350 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.677 -3.161 -5.079 1.00 0.00 H new ATOM 1228 N ALA A 89 101.254 -2.278 -2.090 1.00 0.00 N ATOM 1229 CA ALA A 89 101.030 -1.283 -1.000 1.00 0.00 C ATOM 1230 C ALA A 89 101.288 -1.962 0.341 1.00 0.00 C ATOM 1231 O ALA A 89 101.856 -1.382 1.247 1.00 0.00 O ATOM 1232 CB ALA A 89 99.563 -0.860 -1.124 1.00 0.00 C ATOM 0 H ALA A 89 100.422 -2.531 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 89 101.690 -0.419 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.329 -0.128 -0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.393 -0.418 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 89 98.921 -1.733 -1.003 1.00 0.00 H new ATOM 1238 N PHE A 90 100.885 -3.196 0.461 1.00 0.00 N ATOM 1239 CA PHE A 90 101.112 -3.945 1.738 1.00 0.00 C ATOM 1240 C PHE A 90 102.612 -4.037 2.050 1.00 0.00 C ATOM 1241 O PHE A 90 103.041 -3.757 3.153 1.00 0.00 O ATOM 1242 CB PHE A 90 100.556 -5.348 1.474 1.00 0.00 C ATOM 1243 CG PHE A 90 100.649 -6.173 2.737 1.00 0.00 C ATOM 1244 CD1 PHE A 90 101.815 -6.897 3.018 1.00 0.00 C ATOM 1245 CD2 PHE A 90 99.574 -6.205 3.631 1.00 0.00 C ATOM 1246 CE1 PHE A 90 101.902 -7.654 4.192 1.00 0.00 C ATOM 1247 CE2 PHE A 90 99.661 -6.962 4.806 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.825 -7.686 5.086 1.00 0.00 C ATOM 0 H PHE A 90 100.407 -3.723 -0.270 1.00 0.00 H new ATOM 0 HA PHE A 90 100.634 -3.454 2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.519 -5.284 1.145 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.116 -5.828 0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.646 -6.871 2.329 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.676 -5.645 3.415 1.00 0.00 H new ATOM 0 HE1 PHE A 90 102.800 -8.214 4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 90 98.830 -6.987 5.496 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.893 -8.270 5.992 1.00 0.00 H new ATOM 1258 N THR A 91 103.404 -4.454 1.097 1.00 0.00 N ATOM 1259 CA THR A 91 104.876 -4.598 1.338 1.00 0.00 C ATOM 1260 C THR A 91 105.499 -3.257 1.734 1.00 0.00 C ATOM 1261 O THR A 91 106.379 -3.189 2.564 1.00 0.00 O ATOM 1262 CB THR A 91 105.464 -5.077 0.005 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.854 -6.304 -0.361 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.972 -5.305 0.152 1.00 0.00 C ATOM 0 H THR A 91 103.096 -4.703 0.157 1.00 0.00 H new ATOM 0 HA THR A 91 105.078 -5.294 2.152 1.00 0.00 H new ATOM 0 HB THR A 91 105.280 -4.320 -0.758 1.00 0.00 H new ATOM 0 HG1 THR A 91 104.029 -6.124 -0.858 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.383 -5.645 -0.799 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.454 -4.372 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 91 107.153 -6.061 0.917 1.00 0.00 H new ATOM 1272 N LYS A 92 105.073 -2.203 1.100 1.00 0.00 N ATOM 1273 CA LYS A 92 105.662 -0.862 1.400 1.00 0.00 C ATOM 1274 C LYS A 92 105.269 -0.383 2.799 1.00 0.00 C ATOM 1275 O LYS A 92 106.069 0.199 3.509 1.00 0.00 O ATOM 1276 CB LYS A 92 105.077 0.065 0.340 1.00 0.00 C ATOM 1277 CG LYS A 92 105.669 -0.288 -1.025 1.00 0.00 C ATOM 1278 CD LYS A 92 105.088 0.636 -2.096 1.00 0.00 C ATOM 1279 CE LYS A 92 105.686 0.274 -3.457 1.00 0.00 C ATOM 1280 NZ LYS A 92 104.820 0.962 -4.455 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.343 -2.207 0.387 1.00 0.00 H new ATOM 0 HA LYS A 92 106.752 -0.887 1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 92 103.992 -0.033 0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.298 1.103 0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.754 -0.190 -0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.449 -1.327 -1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 92 104.003 0.539 -2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.309 1.676 -1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 92 106.720 0.609 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 92 105.687 -0.805 -3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 105.168 0.761 -5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 103.843 0.619 -4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 104.844 1.988 -4.287 1.00 0.00 H new ATOM 1294 N LEU A 93 104.046 -0.609 3.190 1.00 0.00 N ATOM 1295 CA LEU A 93 103.596 -0.152 4.542 1.00 0.00 C ATOM 1296 C LEU A 93 104.217 -1.000 5.656 1.00 0.00 C ATOM 1297 O LEU A 93 104.622 -0.482 6.681 1.00 0.00 O ATOM 1298 CB LEU A 93 102.073 -0.314 4.528 1.00 0.00 C ATOM 1299 CG LEU A 93 101.481 0.122 5.874 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.643 1.637 6.058 1.00 0.00 C ATOM 1301 CD2 LEU A 93 99.995 -0.244 5.912 1.00 0.00 C ATOM 0 H LEU A 93 103.337 -1.089 2.636 1.00 0.00 H new ATOM 0 HA LEU A 93 103.903 0.875 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.644 0.283 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.812 -1.353 4.327 1.00 0.00 H new ATOM 0 HG LEU A 93 102.008 -0.388 6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.219 1.934 7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.702 1.895 6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.124 2.159 5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.569 0.064 6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.474 0.265 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.883 -1.322 5.795 1.00 0.00 H new ATOM 1313 N VAL A 94 104.253 -2.295 5.486 1.00 0.00 N ATOM 1314 CA VAL A 94 104.800 -3.181 6.566 1.00 0.00 C ATOM 1315 C VAL A 94 106.294 -3.449 6.370 1.00 0.00 C ATOM 1316 O VAL A 94 107.058 -3.472 7.318 1.00 0.00 O ATOM 1317 CB VAL A 94 103.996 -4.482 6.449 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.438 -5.465 7.535 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.502 -4.182 6.620 1.00 0.00 C ATOM 0 H VAL A 94 103.929 -2.781 4.650 1.00 0.00 H new ATOM 0 HA VAL A 94 104.707 -2.721 7.550 1.00 0.00 H new ATOM 0 HB VAL A 94 104.172 -4.921 5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 94 103.863 -6.387 7.447 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.499 -5.686 7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.267 -5.023 8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 94 101.933 -5.108 6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.330 -3.738 7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.179 -3.487 5.845 1.00 0.00 H new ATOM 1329 N GLY A 95 106.706 -3.661 5.155 1.00 0.00 N ATOM 1330 CA GLY A 95 108.144 -3.942 4.876 1.00 0.00 C ATOM 1331 C GLY A 95 108.255 -5.238 4.073 1.00 0.00 C ATOM 1332 O GLY A 95 109.108 -5.375 3.217 1.00 0.00 O ATOM 0 H GLY A 95 106.103 -3.652 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.587 -3.116 4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.698 -4.030 5.811 1.00 0.00 H new ATOM 1336 N SER A 96 107.392 -6.184 4.340 1.00 0.00 N ATOM 1337 CA SER A 96 107.431 -7.474 3.591 1.00 0.00 C ATOM 1338 C SER A 96 106.037 -8.107 3.552 1.00 0.00 C ATOM 1339 O SER A 96 105.155 -7.726 4.298 1.00 0.00 O ATOM 1340 CB SER A 96 108.409 -8.358 4.365 1.00 0.00 C ATOM 1341 OG SER A 96 107.890 -8.605 5.666 1.00 0.00 O ATOM 0 H SER A 96 106.660 -6.118 5.047 1.00 0.00 H new ATOM 0 HA SER A 96 107.744 -7.340 2.555 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.562 -9.299 3.837 1.00 0.00 H new ATOM 0 HB3 SER A 96 109.381 -7.870 4.435 1.00 0.00 H new ATOM 0 HG SER A 96 108.514 -9.173 6.165 1.00 0.00 H new ATOM 1347 N THR A 97 105.831 -9.070 2.685 1.00 0.00 N ATOM 1348 CA THR A 97 104.486 -9.728 2.594 1.00 0.00 C ATOM 1349 C THR A 97 104.396 -10.941 3.534 1.00 0.00 C ATOM 1350 O THR A 97 103.397 -11.635 3.564 1.00 0.00 O ATOM 1351 CB THR A 97 104.340 -10.168 1.130 1.00 0.00 C ATOM 1352 OG1 THR A 97 105.324 -11.147 0.830 1.00 0.00 O ATOM 1353 CG2 THR A 97 104.516 -8.964 0.203 1.00 0.00 C ATOM 0 H THR A 97 106.533 -9.429 2.038 1.00 0.00 H new ATOM 0 HA THR A 97 103.691 -9.046 2.895 1.00 0.00 H new ATOM 0 HB THR A 97 103.347 -10.591 0.980 1.00 0.00 H new ATOM 0 HG1 THR A 97 105.230 -11.430 -0.104 1.00 0.00 H new ATOM 0 HG21 THR A 97 104.411 -9.284 -0.834 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.757 -8.216 0.430 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.506 -8.533 0.351 1.00 0.00 H new ATOM 1361 N GLU A 98 105.428 -11.201 4.295 1.00 0.00 N ATOM 1362 CA GLU A 98 105.410 -12.369 5.233 1.00 0.00 C ATOM 1363 C GLU A 98 104.435 -12.122 6.388 1.00 0.00 C ATOM 1364 O GLU A 98 103.899 -13.048 6.966 1.00 0.00 O ATOM 1365 CB GLU A 98 106.839 -12.487 5.761 1.00 0.00 C ATOM 1366 CG GLU A 98 107.762 -12.966 4.638 1.00 0.00 C ATOM 1367 CD GLU A 98 109.230 -12.899 5.088 1.00 0.00 C ATOM 1368 OE1 GLU A 98 109.473 -12.665 6.263 1.00 0.00 O ATOM 1369 OE2 GLU A 98 110.091 -13.082 4.242 1.00 0.00 O1- ATOM 0 H GLU A 98 106.288 -10.653 4.309 1.00 0.00 H new ATOM 0 HA GLU A 98 105.082 -13.281 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 98 107.179 -11.523 6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.872 -13.186 6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 98 107.506 -13.988 4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 98 107.618 -12.348 3.751 1.00 0.00 H new ATOM 1376 N ALA A 99 104.216 -10.878 6.735 1.00 0.00 N ATOM 1377 CA ALA A 99 103.286 -10.561 7.867 1.00 0.00 C ATOM 1378 C ALA A 99 101.894 -11.134 7.597 1.00 0.00 C ATOM 1379 O ALA A 99 101.263 -11.683 8.479 1.00 0.00 O ATOM 1380 CB ALA A 99 103.231 -9.033 7.921 1.00 0.00 C ATOM 0 H ALA A 99 104.640 -10.067 6.284 1.00 0.00 H new ATOM 0 HA ALA A 99 103.628 -10.994 8.807 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.568 -8.721 8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 99 104.231 -8.639 8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.855 -8.649 6.973 1.00 0.00 H new ATOM 1386 N GLY A 100 101.420 -11.020 6.383 1.00 0.00 N ATOM 1387 CA GLY A 100 100.073 -11.566 6.049 1.00 0.00 C ATOM 1388 C GLY A 100 98.989 -10.588 6.502 1.00 0.00 C ATOM 1389 O GLY A 100 98.458 -9.831 5.712 1.00 0.00 O ATOM 0 H GLY A 100 101.909 -10.572 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.996 -11.736 4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.931 -12.531 6.536 1.00 0.00 H new ATOM 1393 N ARG A 101 98.651 -10.606 7.768 1.00 0.00 N ATOM 1394 CA ARG A 101 97.594 -9.684 8.276 1.00 0.00 C ATOM 1395 C ARG A 101 98.064 -8.949 9.535 1.00 0.00 C ATOM 1396 O ARG A 101 98.679 -9.532 10.410 1.00 0.00 O ATOM 1397 CB ARG A 101 96.406 -10.589 8.605 1.00 0.00 C ATOM 1398 CG ARG A 101 95.247 -9.753 9.155 1.00 0.00 C ATOM 1399 CD ARG A 101 94.097 -10.679 9.551 1.00 0.00 C ATOM 1400 NE ARG A 101 94.645 -11.529 10.647 1.00 0.00 N ATOM 1401 CZ ARG A 101 94.086 -12.675 10.928 1.00 0.00 C ATOM 1402 NH1 ARG A 101 94.044 -13.619 10.028 1.00 0.00 N ATOM 1403 NH2 ARG A 101 93.569 -12.878 12.109 1.00 0.00 N1+ ATOM 0 H ARG A 101 99.063 -11.221 8.470 1.00 0.00 H new ATOM 0 HA ARG A 101 97.343 -8.917 7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 101 96.087 -11.124 7.710 1.00 0.00 H new ATOM 0 HB3 ARG A 101 96.702 -11.340 9.337 1.00 0.00 H new ATOM 0 HG2 ARG A 101 95.578 -9.176 10.019 1.00 0.00 H new ATOM 0 HG3 ARG A 101 94.911 -9.038 8.404 1.00 0.00 H new ATOM 0 HD2 ARG A 101 93.231 -10.110 9.889 1.00 0.00 H new ATOM 0 HD3 ARG A 101 93.770 -11.286 8.707 1.00 0.00 H new ATOM 0 HE ARG A 101 95.457 -11.215 11.178 1.00 0.00 H new ATOM 0 HH11 ARG A 101 94.448 -13.462 9.105 1.00 0.00 H new ATOM 0 HH12 ARG A 101 93.607 -14.514 10.248 1.00 0.00 H new ATOM 0 HH21 ARG A 101 93.601 -12.141 12.813 1.00 0.00 H new ATOM 0 HH22 ARG A 101 93.133 -13.774 12.328 1.00 0.00 H new ATOM 1417 N VAL A 102 97.762 -7.678 9.638 1.00 0.00 N ATOM 1418 CA VAL A 102 98.170 -6.908 10.849 1.00 0.00 C ATOM 1419 C VAL A 102 96.940 -6.309 11.542 1.00 0.00 C ATOM 1420 O VAL A 102 96.260 -5.463 10.997 1.00 0.00 O ATOM 1421 CB VAL A 102 99.095 -5.803 10.326 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.554 -4.909 11.482 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.322 -6.438 9.666 1.00 0.00 C ATOM 0 H VAL A 102 97.251 -7.143 8.936 1.00 0.00 H new ATOM 0 HA VAL A 102 98.668 -7.536 11.588 1.00 0.00 H new ATOM 0 HB VAL A 102 98.551 -5.200 9.599 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.211 -4.128 11.099 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.685 -4.453 11.956 1.00 0.00 H new ATOM 0 HG13 VAL A 102 100.094 -5.510 12.214 1.00 0.00 H new ATOM 0 HG21 VAL A 102 100.981 -5.654 9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.856 -7.044 10.398 1.00 0.00 H new ATOM 0 HG23 VAL A 102 100.003 -7.069 8.836 1.00 0.00 H new ATOM 1433 N ASP A 103 96.654 -6.754 12.738 1.00 0.00 N ATOM 1434 CA ASP A 103 95.467 -6.227 13.475 1.00 0.00 C ATOM 1435 C ASP A 103 95.807 -4.905 14.168 1.00 0.00 C ATOM 1436 O ASP A 103 96.950 -4.494 14.223 1.00 0.00 O ATOM 1437 CB ASP A 103 95.120 -7.304 14.504 1.00 0.00 C ATOM 1438 CG ASP A 103 94.669 -8.577 13.787 1.00 0.00 C ATOM 1439 OD1 ASP A 103 94.005 -8.460 12.772 1.00 0.00 O1- ATOM 1440 OD2 ASP A 103 94.993 -9.650 14.269 1.00 0.00 O ATOM 0 H ASP A 103 97.193 -7.462 13.237 1.00 0.00 H new ATOM 0 HA ASP A 103 94.631 -6.022 12.806 1.00 0.00 H new ATOM 0 HB2 ASP A 103 95.987 -7.515 15.130 1.00 0.00 H new ATOM 0 HB3 ASP A 103 94.330 -6.948 15.165 1.00 0.00 H new ATOM 1445 N ASN A 104 94.810 -4.242 14.699 1.00 0.00 N ATOM 1446 CA ASN A 104 95.028 -2.937 15.408 1.00 0.00 C ATOM 1447 C ASN A 104 95.641 -1.882 14.483 1.00 0.00 C ATOM 1448 O ASN A 104 96.595 -1.214 14.835 1.00 0.00 O ATOM 1449 CB ASN A 104 95.969 -3.242 16.578 1.00 0.00 C ATOM 1450 CG ASN A 104 96.050 -2.031 17.511 1.00 0.00 C ATOM 1451 OD1 ASN A 104 95.217 -1.146 17.457 1.00 0.00 O ATOM 1452 ND2 ASN A 104 97.027 -1.954 18.373 1.00 0.00 N ATOM 0 H ASN A 104 93.839 -4.552 14.672 1.00 0.00 H new ATOM 0 HA ASN A 104 94.079 -2.523 15.749 1.00 0.00 H new ATOM 0 HB2 ASN A 104 95.610 -4.112 17.128 1.00 0.00 H new ATOM 0 HB3 ASN A 104 96.962 -3.490 16.202 1.00 0.00 H new ATOM 0 HD21 ASN A 104 97.092 -1.152 19.000 1.00 0.00 H new ATOM 0 HD22 ASN A 104 97.726 -2.695 18.419 1.00 0.00 H new ATOM 1459 N VAL A 105 95.085 -1.723 13.309 1.00 0.00 N ATOM 1460 CA VAL A 105 95.624 -0.697 12.361 1.00 0.00 C ATOM 1461 C VAL A 105 94.778 0.574 12.456 1.00 0.00 C ATOM 1462 O VAL A 105 93.572 0.528 12.290 1.00 0.00 O ATOM 1463 CB VAL A 105 95.508 -1.311 10.966 1.00 0.00 C ATOM 1464 CG1 VAL A 105 96.079 -0.336 9.928 1.00 0.00 C ATOM 1465 CG2 VAL A 105 96.280 -2.637 10.909 1.00 0.00 C ATOM 0 H VAL A 105 94.285 -2.255 12.966 1.00 0.00 H new ATOM 0 HA VAL A 105 96.656 -0.430 12.588 1.00 0.00 H new ATOM 0 HB VAL A 105 94.458 -1.503 10.746 1.00 0.00 H new ATOM 0 HG11 VAL A 105 95.996 -0.774 8.933 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.520 0.599 9.961 1.00 0.00 H new ATOM 0 HG13 VAL A 105 97.128 -0.139 10.152 1.00 0.00 H new ATOM 0 HG21 VAL A 105 96.192 -3.067 9.911 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.331 -2.456 11.134 1.00 0.00 H new ATOM 0 HG23 VAL A 105 95.866 -3.331 11.641 1.00 0.00 H new ATOM 1475 N ASN A 106 95.387 1.703 12.724 1.00 0.00 N ATOM 1476 CA ASN A 106 94.587 2.957 12.828 1.00 0.00 C ATOM 1477 C ASN A 106 94.335 3.532 11.433 1.00 0.00 C ATOM 1478 O ASN A 106 95.216 3.609 10.600 1.00 0.00 O ATOM 1479 CB ASN A 106 95.397 3.916 13.703 1.00 0.00 C ATOM 1480 CG ASN A 106 94.530 5.117 14.105 1.00 0.00 C ATOM 1481 OD1 ASN A 106 93.357 5.177 13.787 1.00 0.00 O ATOM 1482 ND2 ASN A 106 95.062 6.084 14.802 1.00 0.00 N ATOM 0 H ASN A 106 96.391 1.808 12.873 1.00 0.00 H new ATOM 0 HA ASN A 106 93.608 2.781 13.273 1.00 0.00 H new ATOM 0 HB2 ASN A 106 95.751 3.398 14.594 1.00 0.00 H new ATOM 0 HB3 ASN A 106 96.279 4.258 13.162 1.00 0.00 H new ATOM 0 HD21 ASN A 106 94.495 6.886 15.078 1.00 0.00 H new ATOM 0 HD22 ASN A 106 96.045 6.038 15.071 1.00 0.00 H new ATOM 1489 N TYR A 107 93.116 3.918 11.190 1.00 0.00 N ATOM 1490 CA TYR A 107 92.730 4.480 9.864 1.00 0.00 C ATOM 1491 C TYR A 107 91.852 5.724 10.062 1.00 0.00 C ATOM 1492 O TYR A 107 91.016 5.754 10.946 1.00 0.00 O ATOM 1493 CB TYR A 107 91.945 3.339 9.196 1.00 0.00 C ATOM 1494 CG TYR A 107 90.717 2.992 10.005 1.00 0.00 C ATOM 1495 CD1 TYR A 107 90.798 2.021 11.006 1.00 0.00 C ATOM 1496 CD2 TYR A 107 89.503 3.639 9.749 1.00 0.00 C ATOM 1497 CE1 TYR A 107 89.666 1.694 11.756 1.00 0.00 C ATOM 1498 CE2 TYR A 107 88.367 3.313 10.499 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.448 2.340 11.504 1.00 0.00 C ATOM 1500 OH TYR A 107 87.328 2.018 12.244 1.00 0.00 O ATOM 0 H TYR A 107 92.355 3.867 11.867 1.00 0.00 H new ATOM 0 HA TYR A 107 93.580 4.799 9.261 1.00 0.00 H new ATOM 0 HB2 TYR A 107 91.652 3.634 8.188 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.583 2.460 9.098 1.00 0.00 H new ATOM 0 HD1 TYR A 107 91.736 1.523 11.200 1.00 0.00 H new ATOM 0 HD2 TYR A 107 89.443 4.389 8.974 1.00 0.00 H new ATOM 0 HE1 TYR A 107 89.729 0.943 12.530 1.00 0.00 H new ATOM 0 HE2 TYR A 107 87.429 3.811 10.303 1.00 0.00 H new ATOM 0 HH TYR A 107 86.569 2.559 11.941 1.00 0.00 H new ATOM 1510 N VAL A 108 92.030 6.747 9.258 1.00 0.00 N ATOM 1511 CA VAL A 108 91.196 7.984 9.425 1.00 0.00 C ATOM 1512 C VAL A 108 90.993 8.694 8.084 1.00 0.00 C ATOM 1513 O VAL A 108 91.799 8.578 7.181 1.00 0.00 O ATOM 1514 CB VAL A 108 91.977 8.891 10.385 1.00 0.00 C ATOM 1515 CG1 VAL A 108 92.099 8.222 11.755 1.00 0.00 C ATOM 1516 CG2 VAL A 108 93.378 9.162 9.825 1.00 0.00 C ATOM 0 H VAL A 108 92.711 6.780 8.499 1.00 0.00 H new ATOM 0 HA VAL A 108 90.206 7.739 9.809 1.00 0.00 H new ATOM 0 HB VAL A 108 91.440 9.834 10.490 1.00 0.00 H new ATOM 0 HG11 VAL A 108 92.655 8.873 12.430 1.00 0.00 H new ATOM 0 HG12 VAL A 108 91.104 8.042 12.162 1.00 0.00 H new ATOM 0 HG13 VAL A 108 92.625 7.273 11.651 1.00 0.00 H new ATOM 0 HG21 VAL A 108 93.926 9.807 10.512 1.00 0.00 H new ATOM 0 HG22 VAL A 108 93.912 8.219 9.708 1.00 0.00 H new ATOM 0 HG23 VAL A 108 93.294 9.654 8.856 1.00 0.00 H new ATOM 1526 N GLN A 109 89.927 9.445 7.963 1.00 0.00 N ATOM 1527 CA GLN A 109 89.669 10.190 6.694 1.00 0.00 C ATOM 1528 C GLN A 109 90.608 11.391 6.598 1.00 0.00 C ATOM 1529 O GLN A 109 90.874 12.061 7.579 1.00 0.00 O ATOM 1530 CB GLN A 109 88.219 10.671 6.786 1.00 0.00 C ATOM 1531 CG GLN A 109 87.841 11.408 5.498 1.00 0.00 C ATOM 1532 CD GLN A 109 86.345 11.722 5.506 1.00 0.00 C ATOM 1533 OE1 GLN A 109 85.828 12.256 6.468 1.00 0.00 O ATOM 1534 NE2 GLN A 109 85.621 11.407 4.467 1.00 0.00 N ATOM 0 H GLN A 109 89.223 9.574 8.690 1.00 0.00 H new ATOM 0 HA GLN A 109 89.835 9.566 5.816 1.00 0.00 H new ATOM 0 HB2 GLN A 109 87.553 9.822 6.941 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.098 11.332 7.644 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.416 12.330 5.413 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.090 10.796 4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.055 10.959 3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 109 84.621 11.609 4.462 1.00 0.00 H new ATOM 1543 N VAL A 110 91.095 11.675 5.421 1.00 0.00 N ATOM 1544 CA VAL A 110 91.998 12.845 5.251 1.00 0.00 C ATOM 1545 C VAL A 110 91.648 13.579 3.950 1.00 0.00 C ATOM 1546 O VAL A 110 90.882 13.086 3.145 1.00 0.00 O ATOM 1547 CB VAL A 110 93.419 12.268 5.212 1.00 0.00 C ATOM 1548 CG1 VAL A 110 93.716 11.565 6.540 1.00 0.00 C ATOM 1549 CG2 VAL A 110 93.550 11.263 4.060 1.00 0.00 C ATOM 0 H VAL A 110 90.905 11.146 4.570 1.00 0.00 H new ATOM 0 HA VAL A 110 91.901 13.572 6.058 1.00 0.00 H new ATOM 0 HB VAL A 110 94.130 13.079 5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.725 11.154 6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.636 12.282 7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 110 92.999 10.759 6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 110 94.563 10.860 4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 110 92.838 10.450 4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.342 11.764 3.115 1.00 0.00 H new ATOM 1559 N ASP A 111 92.187 14.755 3.746 1.00 0.00 N ATOM 1560 CA ASP A 111 91.867 15.523 2.498 1.00 0.00 C ATOM 1561 C ASP A 111 92.275 14.735 1.250 1.00 0.00 C ATOM 1562 O ASP A 111 93.268 14.033 1.239 1.00 0.00 O ATOM 1563 CB ASP A 111 92.670 16.821 2.600 1.00 0.00 C ATOM 1564 CG ASP A 111 92.086 17.715 3.702 1.00 0.00 C ATOM 1565 OD1 ASP A 111 90.927 17.536 4.044 1.00 0.00 O ATOM 1566 OD2 ASP A 111 92.811 18.570 4.184 1.00 0.00 O1- ATOM 0 H ASP A 111 92.833 15.217 4.386 1.00 0.00 H new ATOM 0 HA ASP A 111 90.797 15.713 2.409 1.00 0.00 H new ATOM 0 HB2 ASP A 111 93.714 16.596 2.818 1.00 0.00 H new ATOM 0 HB3 ASP A 111 92.650 17.347 1.645 1.00 0.00 H new ATOM 1571 N LEU A 112 91.504 14.848 0.198 1.00 0.00 N ATOM 1572 CA LEU A 112 91.817 14.115 -1.070 1.00 0.00 C ATOM 1573 C LEU A 112 93.185 14.524 -1.617 1.00 0.00 C ATOM 1574 O LEU A 112 93.899 13.716 -2.179 1.00 0.00 O ATOM 1575 CB LEU A 112 90.713 14.507 -2.051 1.00 0.00 C ATOM 1576 CG LEU A 112 90.940 13.804 -3.395 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.596 13.514 -4.070 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.794 14.704 -4.302 1.00 0.00 C ATOM 0 H LEU A 112 90.662 15.422 0.162 1.00 0.00 H new ATOM 0 HA LEU A 112 91.856 13.038 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.739 14.232 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.706 15.588 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 112 91.459 12.861 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.768 13.015 -5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 112 88.997 12.870 -3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 112 89.065 14.451 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.957 14.207 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.277 15.649 -4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.755 14.895 -3.824 1.00 0.00 H new ATOM 1590 N SER A 113 93.546 15.774 -1.476 1.00 0.00 N ATOM 1591 CA SER A 113 94.864 16.236 -2.010 1.00 0.00 C ATOM 1592 C SER A 113 95.991 15.394 -1.410 1.00 0.00 C ATOM 1593 O SER A 113 96.936 15.044 -2.083 1.00 0.00 O ATOM 1594 CB SER A 113 94.992 17.694 -1.577 1.00 0.00 C ATOM 1595 OG SER A 113 94.031 18.477 -2.275 1.00 0.00 O ATOM 0 H SER A 113 92.988 16.493 -1.016 1.00 0.00 H new ATOM 0 HA SER A 113 94.928 16.136 -3.093 1.00 0.00 H new ATOM 0 HB2 SER A 113 94.837 17.781 -0.502 1.00 0.00 H new ATOM 0 HB3 SER A 113 95.997 18.060 -1.785 1.00 0.00 H new ATOM 0 HG SER A 113 94.109 19.414 -1.998 1.00 0.00 H new ATOM 1601 N ASN A 114 95.889 15.064 -0.153 1.00 0.00 N ATOM 1602 CA ASN A 114 96.943 14.233 0.505 1.00 0.00 C ATOM 1603 C ASN A 114 97.054 12.860 -0.167 1.00 0.00 C ATOM 1604 O ASN A 114 98.137 12.340 -0.337 1.00 0.00 O ATOM 1605 CB ASN A 114 96.509 14.089 1.964 1.00 0.00 C ATOM 1606 CG ASN A 114 96.732 15.417 2.694 1.00 0.00 C ATOM 1607 OD1 ASN A 114 97.530 16.231 2.273 1.00 0.00 O ATOM 1608 ND2 ASN A 114 96.058 15.671 3.782 1.00 0.00 N ATOM 0 H ASN A 114 95.115 15.335 0.454 1.00 0.00 H new ATOM 0 HA ASN A 114 97.925 14.698 0.424 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.458 13.805 2.016 1.00 0.00 H new ATOM 0 HB3 ASN A 114 97.078 13.295 2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 114 96.202 16.551 4.277 1.00 0.00 H new ATOM 0 HD22 ASN A 114 95.388 14.989 4.137 1.00 0.00 H new ATOM 1615 N CYS A 115 95.948 12.274 -0.558 1.00 0.00 N ATOM 1616 CA CYS A 115 96.008 10.938 -1.235 1.00 0.00 C ATOM 1617 C CYS A 115 96.833 11.043 -2.519 1.00 0.00 C ATOM 1618 O CYS A 115 97.718 10.247 -2.768 1.00 0.00 O ATOM 1619 CB CYS A 115 94.557 10.583 -1.574 1.00 0.00 C ATOM 1620 SG CYS A 115 93.845 9.565 -0.257 1.00 0.00 S ATOM 0 H CYS A 115 95.011 12.659 -0.439 1.00 0.00 H new ATOM 0 HA CYS A 115 96.473 10.182 -0.603 1.00 0.00 H new ATOM 0 HB2 CYS A 115 93.971 11.493 -1.698 1.00 0.00 H new ATOM 0 HB3 CYS A 115 94.517 10.046 -2.522 1.00 0.00 H new ATOM 1625 N ILE A 116 96.534 12.016 -3.341 1.00 0.00 N ATOM 1626 CA ILE A 116 97.281 12.178 -4.626 1.00 0.00 C ATOM 1627 C ILE A 116 98.721 12.639 -4.361 1.00 0.00 C ATOM 1628 O ILE A 116 99.647 12.195 -5.012 1.00 0.00 O ATOM 1629 CB ILE A 116 96.503 13.241 -5.417 1.00 0.00 C ATOM 1630 CG1 ILE A 116 95.072 12.757 -5.662 1.00 0.00 C ATOM 1631 CG2 ILE A 116 97.185 13.492 -6.765 1.00 0.00 C ATOM 1632 CD1 ILE A 116 94.256 13.875 -6.320 1.00 0.00 C ATOM 0 H ILE A 116 95.802 12.708 -3.178 1.00 0.00 H new ATOM 0 HA ILE A 116 97.353 11.239 -5.175 1.00 0.00 H new ATOM 0 HB ILE A 116 96.485 14.166 -4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 116 95.080 11.875 -6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.611 12.463 -4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 116 96.628 14.247 -7.320 1.00 0.00 H new ATOM 0 HG22 ILE A 116 98.203 13.843 -6.598 1.00 0.00 H new ATOM 0 HG23 ILE A 116 97.210 12.565 -7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 116 93.237 13.528 -6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 116 94.236 14.745 -5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 116 94.713 14.148 -7.271 1.00 0.00 H new ATOM 1644 N ASN A 117 98.912 13.529 -3.420 1.00 0.00 N ATOM 1645 CA ASN A 117 100.295 14.025 -3.122 1.00 0.00 C ATOM 1646 C ASN A 117 101.170 12.891 -2.578 1.00 0.00 C ATOM 1647 O ASN A 117 102.330 12.771 -2.923 1.00 0.00 O ATOM 1648 CB ASN A 117 100.112 15.106 -2.056 1.00 0.00 C ATOM 1649 CG ASN A 117 99.435 16.332 -2.672 1.00 0.00 C ATOM 1650 OD1 ASN A 117 99.477 16.528 -3.870 1.00 0.00 O ATOM 1651 ND2 ASN A 117 98.807 17.172 -1.896 1.00 0.00 N ATOM 0 H ASN A 117 98.173 13.934 -2.845 1.00 0.00 H new ATOM 0 HA ASN A 117 100.788 14.406 -4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.509 14.721 -1.234 1.00 0.00 H new ATOM 0 HB3 ASN A 117 101.079 15.385 -1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 117 98.352 17.993 -2.295 1.00 0.00 H new ATOM 0 HD22 ASN A 117 98.771 17.008 -0.890 1.00 0.00 H new ATOM 1658 N GLY A 118 100.617 12.063 -1.733 1.00 0.00 N ATOM 1659 CA GLY A 118 101.399 10.931 -1.158 1.00 0.00 C ATOM 1660 C GLY A 118 101.691 9.908 -2.253 1.00 0.00 C ATOM 1661 O GLY A 118 102.790 9.402 -2.368 1.00 0.00 O ATOM 0 H GLY A 118 99.650 12.123 -1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 118 102.332 11.299 -0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 118 100.840 10.463 -0.348 1.00 0.00 H new ATOM 1665 N ALA A 119 100.707 9.606 -3.058 1.00 0.00 N ATOM 1666 CA ALA A 119 100.907 8.614 -4.158 1.00 0.00 C ATOM 1667 C ALA A 119 101.972 9.116 -5.138 1.00 0.00 C ATOM 1668 O ALA A 119 102.791 8.356 -5.618 1.00 0.00 O ATOM 1669 CB ALA A 119 99.547 8.503 -4.851 1.00 0.00 C ATOM 0 H ALA A 119 99.770 10.004 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 119 101.250 7.650 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.615 7.790 -5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.800 8.161 -4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 119 99.256 9.479 -5.240 1.00 0.00 H new ATOM 1675 N ASN A 120 101.962 10.390 -5.437 1.00 0.00 N ATOM 1676 CA ASN A 120 102.968 10.952 -6.388 1.00 0.00 C ATOM 1677 C ASN A 120 102.943 12.485 -6.348 1.00 0.00 C ATOM 1678 O ASN A 120 101.876 13.046 -6.537 1.00 0.00 O ATOM 1679 CB ASN A 120 102.550 10.433 -7.770 1.00 0.00 C ATOM 1680 CG ASN A 120 101.141 10.929 -8.124 1.00 0.00 C ATOM 1681 OD1 ASN A 120 100.268 10.975 -7.280 1.00 0.00 O ATOM 1682 ND2 ASN A 120 100.885 11.305 -9.347 1.00 0.00 N ATOM 1683 OXT ASN A 120 103.992 13.069 -6.130 1.00 0.00 O ATOM 0 H ASN A 120 101.298 11.067 -5.062 1.00 0.00 H new ATOM 0 HA ASN A 120 103.985 10.651 -6.136 1.00 0.00 H new ATOM 0 HB2 ASN A 120 103.262 10.772 -8.523 1.00 0.00 H new ATOM 0 HB3 ASN A 120 102.572 9.343 -7.778 1.00 0.00 H new ATOM 0 HD21 ASN A 120 99.953 11.637 -9.594 1.00 0.00 H new ATOM 0 HD22 ASN A 120 101.617 11.267 -10.056 1.00 0.00 H new TER 1690 ASN A 120