USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 786 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 27 GLN : amide:sc= -0.696 K(o=-14,f=-17!) USER MOD Set 1.2: A 31 GLN : amide:sc= -10! C(o=-14!,f=-18!) USER MOD Set 1.3: A 105 MET CE :methyl -129:sc= -3.35! (180deg=-2.03) USER MOD Single : A 1 SER N :NH3+ -179:sc= -3.35! (180deg=-3.51!) USER MOD Single : A 1 SER OG : rot 173:sc= 1.4 USER MOD Single : A 3 THR OG1 : rot -30:sc= 0.803 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.34 F(o=-1.8,f=-0.34) USER MOD Single : A 23 THR OG1 : rot -172:sc= -1.79! USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= -0.0881 (180deg=-0.424) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 2:sc= -3.57! USER MOD Single : A 36 SER OG : rot -94:sc= 0.684 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 144:sc= -0.438 (180deg=-1.91!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0019 USER MOD Single : A 42 GLN : amide:sc= -11! C(o=-11!,f=-12!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.66 X(o=-2.7,f=-2.8!) USER MOD Single : A 54 GLN :FLIP amide:sc= -11! C(o=-12!,f=-11!) USER MOD Single : A 55 SER OG : rot 101:sc= -0.14 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 137:sc= 0.0117 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0152 K(o=-0.015,f=-1) USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0111) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.228 F(o=-3.2,f=-0.23) USER MOD Single : A 72 SER OG : rot -44:sc= 1.15 USER MOD Single : A 78 THR OG1 : rot 170:sc= 0.329 USER MOD Single : A 80 SER OG : rot 108:sc= -4.51! USER MOD Single : A 82 THR OG1 : rot -92:sc= 0.0211 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -78:sc= -1.46! USER MOD Single : A 86 MET CE :methyl 170:sc= -3.81 (180deg=-4.44) USER MOD Single : A 91 ASN :FLIP amide:sc= -2.95 F(o=-7.2!,f=-3) USER MOD Single : A 96 LYS NZ :NH3+ -158:sc= -0.0327 (180deg=-0.319) USER MOD Single : A 103 GLN : amide:sc= -3.72! C(o=-3.7!,f=-8.7!) USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.102 F(o=-0.79,f=-0.1) USER MOD Single : A 108 SER OG : rot -37:sc= 0.656 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.629 -8.903 -4.124 1.00 0.00 N ATOM 2 CA SER A 1 2.197 -8.046 -5.254 1.00 0.00 C ATOM 3 C SER A 1 3.371 -7.267 -5.839 1.00 0.00 C ATOM 4 O SER A 1 4.514 -7.425 -5.410 1.00 0.00 O ATOM 5 CB SER A 1 1.115 -7.075 -4.796 1.00 0.00 C ATOM 6 OG SER A 1 0.088 -7.750 -4.090 1.00 0.00 O ATOM 0 H1 SER A 1 1.812 -9.433 -3.758 1.00 0.00 H new ATOM 0 H2 SER A 1 3.356 -9.570 -4.453 1.00 0.00 H new ATOM 0 H3 SER A 1 3.022 -8.308 -3.367 1.00 0.00 H new ATOM 0 HA SER A 1 1.796 -8.697 -6.030 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.556 -6.309 -4.158 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.691 -6.564 -5.661 1.00 0.00 H new ATOM 0 HG SER A 1 -0.535 -7.094 -3.712 1.00 0.00 H new ATOM 14 N ILE A 2 3.071 -6.427 -6.822 1.00 0.00 N ATOM 15 CA ILE A 2 4.102 -5.642 -7.487 1.00 0.00 C ATOM 16 C ILE A 2 5.112 -6.606 -8.122 1.00 0.00 C ATOM 17 O ILE A 2 4.986 -6.949 -9.294 1.00 0.00 O ATOM 18 CB ILE A 2 4.818 -4.669 -6.514 1.00 0.00 C ATOM 19 CG1 ILE A 2 3.833 -3.685 -5.888 1.00 0.00 C ATOM 20 CG2 ILE A 2 5.930 -3.922 -7.233 1.00 0.00 C ATOM 21 CD1 ILE A 2 3.840 -3.712 -4.388 1.00 0.00 C ATOM 0 H ILE A 2 2.126 -6.273 -7.175 1.00 0.00 H new ATOM 0 HA ILE A 2 3.631 -5.025 -8.252 1.00 0.00 H new ATOM 0 HB ILE A 2 5.255 -5.261 -5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.072 -2.677 -6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.828 -3.912 -6.244 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.422 -3.244 -6.536 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.657 -4.636 -7.619 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.509 -3.350 -8.060 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.118 -2.990 -4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.572 -4.710 -4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.835 -3.456 -4.024 1.00 0.00 H new ATOM 33 N THR A 3 6.117 -7.015 -7.343 1.00 0.00 N ATOM 34 CA THR A 3 7.126 -7.980 -7.772 1.00 0.00 C ATOM 35 C THR A 3 8.218 -7.371 -8.642 1.00 0.00 C ATOM 36 O THR A 3 9.047 -8.102 -9.184 1.00 0.00 O ATOM 37 CB THR A 3 6.512 -9.201 -8.484 1.00 0.00 C ATOM 38 OG1 THR A 3 6.200 -8.897 -9.848 1.00 0.00 O ATOM 39 CG2 THR A 3 5.263 -9.658 -7.749 1.00 0.00 C ATOM 0 H THR A 3 6.252 -6.681 -6.389 1.00 0.00 H new ATOM 0 HA THR A 3 7.592 -8.316 -6.846 1.00 0.00 H new ATOM 0 HB THR A 3 7.246 -10.007 -8.476 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.973 -7.947 -9.928 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.836 -10.521 -8.259 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.522 -9.933 -6.727 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.533 -8.848 -7.733 1.00 0.00 H new ATOM 47 N ASP A 4 8.240 -6.044 -8.794 1.00 0.00 N ATOM 48 CA ASP A 4 9.300 -5.413 -9.575 1.00 0.00 C ATOM 49 C ASP A 4 10.641 -5.818 -8.973 1.00 0.00 C ATOM 50 O ASP A 4 11.230 -6.815 -9.387 1.00 0.00 O ATOM 51 CB ASP A 4 9.142 -3.890 -9.588 1.00 0.00 C ATOM 52 CG ASP A 4 7.931 -3.441 -10.382 1.00 0.00 C ATOM 53 OD1 ASP A 4 7.981 -3.511 -11.629 1.00 0.00 O ATOM 54 OD2 ASP A 4 6.935 -3.017 -9.760 1.00 0.00 O ATOM 0 H ASP A 4 7.554 -5.402 -8.397 1.00 0.00 H new ATOM 0 HA ASP A 4 9.243 -5.747 -10.611 1.00 0.00 H new ATOM 0 HB2 ASP A 4 9.056 -3.528 -8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.039 -3.438 -10.012 1.00 0.00 H new ATOM 59 N ILE A 5 11.126 -5.054 -7.997 1.00 0.00 N ATOM 60 CA ILE A 5 12.350 -5.423 -7.321 1.00 0.00 C ATOM 61 C ILE A 5 11.987 -5.983 -5.950 1.00 0.00 C ATOM 62 O ILE A 5 11.829 -5.240 -4.982 1.00 0.00 O ATOM 63 CB ILE A 5 13.252 -4.199 -7.156 1.00 0.00 C ATOM 64 CG1 ILE A 5 13.634 -3.656 -8.526 1.00 0.00 C ATOM 65 CG2 ILE A 5 14.495 -4.542 -6.351 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.482 -3.055 -9.304 1.00 0.00 C ATOM 0 H ILE A 5 10.693 -4.192 -7.666 1.00 0.00 H new ATOM 0 HA ILE A 5 12.887 -6.170 -7.906 1.00 0.00 H new ATOM 0 HB ILE A 5 12.704 -3.433 -6.608 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.407 -2.897 -8.400 1.00 0.00 H new ATOM 0 HG13 ILE A 5 14.072 -4.463 -9.114 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.119 -3.654 -6.249 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.202 -4.896 -5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.057 -5.323 -6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.843 -2.693 -10.267 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.717 -3.814 -9.465 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.056 -2.225 -8.741 1.00 0.00 H new ATOM 78 N LEU A 6 11.858 -7.302 -5.885 1.00 0.00 N ATOM 79 CA LEU A 6 11.486 -7.963 -4.640 1.00 0.00 C ATOM 80 C LEU A 6 11.535 -9.482 -4.733 1.00 0.00 C ATOM 81 O LEU A 6 11.603 -10.053 -5.821 1.00 0.00 O ATOM 82 CB LEU A 6 10.076 -7.539 -4.244 1.00 0.00 C ATOM 83 CG LEU A 6 10.006 -6.431 -3.203 1.00 0.00 C ATOM 84 CD1 LEU A 6 9.021 -5.358 -3.633 1.00 0.00 C ATOM 85 CD2 LEU A 6 9.625 -7.012 -1.852 1.00 0.00 C ATOM 0 H LEU A 6 12.004 -7.932 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 6 12.216 -7.658 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.547 -7.210 -5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.545 -8.410 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 6 10.988 -5.966 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.984 -4.574 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.341 -4.931 -4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.031 -5.798 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.577 -6.213 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.652 -7.497 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.373 -7.744 -1.547 1.00 0.00 H new ATOM 97 N SER A 7 11.499 -10.125 -3.570 1.00 0.00 N ATOM 98 CA SER A 7 11.444 -11.576 -3.493 1.00 0.00 C ATOM 99 C SER A 7 9.972 -11.986 -3.516 1.00 0.00 C ATOM 100 O SER A 7 9.207 -11.616 -2.626 1.00 0.00 O ATOM 101 CB SER A 7 12.125 -12.081 -2.220 1.00 0.00 C ATOM 102 OG SER A 7 13.488 -11.692 -2.181 1.00 0.00 O ATOM 0 H SER A 7 11.507 -9.658 -2.663 1.00 0.00 H new ATOM 0 HA SER A 7 11.974 -12.017 -4.337 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.606 -11.687 -1.346 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.052 -13.167 -2.172 1.00 0.00 H new ATOM 0 HG SER A 7 13.900 -12.026 -1.357 1.00 0.00 H new ATOM 108 N ALA A 8 9.579 -12.749 -4.526 1.00 0.00 N ATOM 109 CA ALA A 8 8.185 -13.157 -4.681 1.00 0.00 C ATOM 110 C ALA A 8 7.640 -13.868 -3.446 1.00 0.00 C ATOM 111 O ALA A 8 6.548 -13.556 -2.974 1.00 0.00 O ATOM 112 CB ALA A 8 8.032 -14.043 -5.908 1.00 0.00 C ATOM 0 H ALA A 8 10.204 -13.099 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 8 7.598 -12.248 -4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.989 -14.341 -6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.344 -13.492 -6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.654 -14.931 -5.795 1.00 0.00 H new ATOM 118 N GLU A 9 8.398 -14.829 -2.930 1.00 0.00 N ATOM 119 CA GLU A 9 7.965 -15.599 -1.771 1.00 0.00 C ATOM 120 C GLU A 9 7.817 -14.707 -0.551 1.00 0.00 C ATOM 121 O GLU A 9 6.777 -14.700 0.108 1.00 0.00 O ATOM 122 CB GLU A 9 8.975 -16.707 -1.487 1.00 0.00 C ATOM 123 CG GLU A 9 9.054 -17.735 -2.593 1.00 0.00 C ATOM 124 CD GLU A 9 7.763 -18.509 -2.769 1.00 0.00 C ATOM 125 OE1 GLU A 9 7.574 -19.518 -2.056 1.00 0.00 O ATOM 126 OE2 GLU A 9 6.942 -18.108 -3.620 1.00 0.00 O ATOM 0 H GLU A 9 9.313 -15.093 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 9 6.992 -16.039 -1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.960 -16.264 -1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.707 -17.205 -0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.304 -17.236 -3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.864 -18.432 -2.378 1.00 0.00 H new ATOM 133 N ASP A 10 8.867 -13.954 -0.255 1.00 0.00 N ATOM 134 CA ASP A 10 8.840 -13.031 0.867 1.00 0.00 C ATOM 135 C ASP A 10 7.613 -12.150 0.806 1.00 0.00 C ATOM 136 O ASP A 10 7.014 -11.845 1.832 1.00 0.00 O ATOM 137 CB ASP A 10 10.105 -12.180 0.880 1.00 0.00 C ATOM 138 CG ASP A 10 11.354 -13.004 1.125 1.00 0.00 C ATOM 139 OD1 ASP A 10 11.885 -13.580 0.152 1.00 0.00 O ATOM 140 OD2 ASP A 10 11.799 -13.076 2.289 1.00 0.00 O ATOM 0 H ASP A 10 9.744 -13.965 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 10 8.798 -13.611 1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.198 -11.658 -0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 10 10.019 -11.417 1.654 1.00 0.00 H new ATOM 145 N ILE A 11 7.224 -11.768 -0.395 1.00 0.00 N ATOM 146 CA ILE A 11 6.051 -10.932 -0.564 1.00 0.00 C ATOM 147 C ILE A 11 4.792 -11.759 -0.335 1.00 0.00 C ATOM 148 O ILE A 11 3.840 -11.301 0.292 1.00 0.00 O ATOM 149 CB ILE A 11 6.036 -10.294 -1.969 1.00 0.00 C ATOM 150 CG1 ILE A 11 7.032 -9.141 -2.029 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.650 -9.799 -2.368 1.00 0.00 C ATOM 152 CD1 ILE A 11 7.098 -8.477 -3.386 1.00 0.00 C ATOM 0 H ILE A 11 7.698 -12.021 -1.262 1.00 0.00 H new ATOM 0 HA ILE A 11 6.082 -10.127 0.170 1.00 0.00 H new ATOM 0 HB ILE A 11 6.322 -11.071 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.761 -8.396 -1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.022 -9.512 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.694 -9.359 -3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.952 -10.636 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.312 -9.048 -1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.825 -7.666 -3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.399 -9.209 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.117 -8.077 -3.643 1.00 0.00 H new ATOM 164 N ALA A 12 4.795 -12.981 -0.853 1.00 0.00 N ATOM 165 CA ALA A 12 3.645 -13.853 -0.696 1.00 0.00 C ATOM 166 C ALA A 12 3.377 -14.095 0.769 1.00 0.00 C ATOM 167 O ALA A 12 2.268 -13.906 1.236 1.00 0.00 O ATOM 168 CB ALA A 12 3.863 -15.169 -1.409 1.00 0.00 C ATOM 0 H ALA A 12 5.571 -13.384 -1.378 1.00 0.00 H new ATOM 0 HA ALA A 12 2.780 -13.363 -1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.987 -15.804 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.020 -14.985 -2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.739 -15.667 -0.994 1.00 0.00 H new ATOM 174 N ALA A 13 4.398 -14.508 1.496 1.00 0.00 N ATOM 175 CA ALA A 13 4.241 -14.735 2.921 1.00 0.00 C ATOM 176 C ALA A 13 3.926 -13.415 3.602 1.00 0.00 C ATOM 177 O ALA A 13 2.932 -13.280 4.310 1.00 0.00 O ATOM 178 CB ALA A 13 5.497 -15.352 3.512 1.00 0.00 C ATOM 0 H ALA A 13 5.333 -14.691 1.131 1.00 0.00 H new ATOM 0 HA ALA A 13 3.420 -15.434 3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.355 -15.513 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.697 -16.306 3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.341 -14.680 3.355 1.00 0.00 H new ATOM 184 N ALA A 14 4.784 -12.436 3.347 1.00 0.00 N ATOM 185 CA ALA A 14 4.613 -11.104 3.910 1.00 0.00 C ATOM 186 C ALA A 14 3.186 -10.613 3.698 1.00 0.00 C ATOM 187 O ALA A 14 2.554 -10.089 4.616 1.00 0.00 O ATOM 188 CB ALA A 14 5.595 -10.136 3.272 1.00 0.00 C ATOM 0 H ALA A 14 5.607 -12.540 2.753 1.00 0.00 H new ATOM 0 HA ALA A 14 4.809 -11.155 4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.458 -9.143 3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.614 -10.475 3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.419 -10.095 2.197 1.00 0.00 H new ATOM 194 N LEU A 15 2.689 -10.788 2.483 1.00 0.00 N ATOM 195 CA LEU A 15 1.342 -10.366 2.133 1.00 0.00 C ATOM 196 C LEU A 15 0.294 -11.334 2.663 1.00 0.00 C ATOM 197 O LEU A 15 -0.583 -10.964 3.442 1.00 0.00 O ATOM 198 CB LEU A 15 1.219 -10.251 0.613 1.00 0.00 C ATOM 199 CG LEU A 15 0.132 -9.299 0.121 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.052 -9.429 -1.383 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.178 -9.559 0.845 1.00 0.00 C ATOM 0 H LEU A 15 3.204 -11.223 1.717 1.00 0.00 H new ATOM 0 HA LEU A 15 1.163 -9.395 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.177 -9.923 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.024 -11.242 0.204 1.00 0.00 H new ATOM 0 HG LEU A 15 0.446 -8.279 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.831 -8.743 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.884 -9.187 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.341 -10.451 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.939 -8.870 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.498 -10.584 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.038 -9.410 1.916 1.00 0.00 H new ATOM 213 N GLN A 16 0.412 -12.579 2.230 1.00 0.00 N ATOM 214 CA GLN A 16 -0.511 -13.647 2.575 1.00 0.00 C ATOM 215 C GLN A 16 -0.447 -14.066 4.045 1.00 0.00 C ATOM 216 O GLN A 16 -1.232 -14.910 4.476 1.00 0.00 O ATOM 217 CB GLN A 16 -0.184 -14.856 1.699 1.00 0.00 C ATOM 218 CG GLN A 16 -0.126 -14.512 0.226 1.00 0.00 C ATOM 219 CD GLN A 16 -1.498 -14.395 -0.400 1.00 0.00 C ATOM 220 OE1 GLN A 16 -2.053 -15.371 -0.905 1.00 0.00 O ATOM 221 NE2 GLN A 16 -2.052 -13.191 -0.367 1.00 0.00 N ATOM 0 H GLN A 16 1.168 -12.881 1.616 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.521 -13.273 2.405 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.774 -15.275 2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.936 -15.629 1.858 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.409 -13.571 0.098 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.445 -15.278 -0.300 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.553 -12.412 0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.977 -13.044 -0.771 1.00 0.00 H new ATOM 230 N GLU A 17 0.469 -13.493 4.822 1.00 0.00 N ATOM 231 CA GLU A 17 0.614 -13.917 6.211 1.00 0.00 C ATOM 232 C GLU A 17 -0.605 -13.598 7.053 1.00 0.00 C ATOM 233 O GLU A 17 -1.383 -14.484 7.407 1.00 0.00 O ATOM 234 CB GLU A 17 1.830 -13.234 6.844 1.00 0.00 C ATOM 235 CG GLU A 17 1.936 -13.389 8.354 1.00 0.00 C ATOM 236 CD GLU A 17 3.188 -12.746 8.920 1.00 0.00 C ATOM 237 OE1 GLU A 17 4.225 -13.439 9.003 1.00 0.00 O ATOM 238 OE2 GLU A 17 3.131 -11.552 9.280 1.00 0.00 O ATOM 0 H GLU A 17 1.106 -12.754 4.524 1.00 0.00 H new ATOM 0 HA GLU A 17 0.740 -15.000 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.734 -13.637 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.798 -12.171 6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.059 -12.943 8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.930 -14.449 8.608 1.00 0.00 H new ATOM 245 N CYS A 18 -0.761 -12.330 7.371 1.00 0.00 N ATOM 246 CA CYS A 18 -1.839 -11.855 8.210 1.00 0.00 C ATOM 247 C CYS A 18 -2.923 -11.113 7.434 1.00 0.00 C ATOM 248 O CYS A 18 -3.862 -10.601 8.036 1.00 0.00 O ATOM 249 CB CYS A 18 -1.230 -10.952 9.272 1.00 0.00 C ATOM 250 SG CYS A 18 -1.932 -11.164 10.924 1.00 0.00 S ATOM 0 H CYS A 18 -0.135 -11.592 7.050 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.337 -12.715 8.657 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.157 -11.140 9.319 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.359 -9.914 8.966 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.345 -10.352 11.753 1.00 0.00 H new ATOM 256 N GLN A 19 -2.805 -11.064 6.107 1.00 0.00 N ATOM 257 CA GLN A 19 -3.741 -10.284 5.290 1.00 0.00 C ATOM 258 C GLN A 19 -5.188 -10.468 5.740 1.00 0.00 C ATOM 259 O GLN A 19 -5.613 -11.551 6.142 1.00 0.00 O ATOM 260 CB GLN A 19 -3.619 -10.694 3.819 1.00 0.00 C ATOM 261 CG GLN A 19 -4.711 -10.123 2.922 1.00 0.00 C ATOM 262 CD GLN A 19 -4.667 -10.676 1.516 1.00 0.00 C ATOM 263 OE1 GLN A 19 -4.127 -9.894 0.596 1.00 0.00 O flip ATOM 264 NE2 GLN A 19 -5.141 -11.781 1.254 1.00 0.00 N flip ATOM 0 H GLN A 19 -2.080 -11.548 5.578 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.478 -9.233 5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.648 -10.371 3.442 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.641 -11.782 3.753 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.685 -10.339 3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.612 -9.038 2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.548 -12.351 1.996 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.127 -12.127 0.295 1.00 0.00 H new ATOM 273 N ASP A 20 -5.921 -9.364 5.659 1.00 0.00 N ATOM 274 CA ASP A 20 -7.322 -9.314 6.057 1.00 0.00 C ATOM 275 C ASP A 20 -7.814 -7.868 6.040 1.00 0.00 C ATOM 276 O ASP A 20 -7.032 -6.947 5.800 1.00 0.00 O ATOM 277 CB ASP A 20 -7.493 -9.918 7.451 1.00 0.00 C ATOM 278 CG ASP A 20 -8.195 -11.263 7.419 1.00 0.00 C ATOM 279 OD1 ASP A 20 -9.346 -11.322 6.936 1.00 0.00 O ATOM 280 OD2 ASP A 20 -7.593 -12.257 7.876 1.00 0.00 O ATOM 0 H ASP A 20 -5.559 -8.475 5.314 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.915 -9.896 5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.514 -10.034 7.916 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.063 -9.229 8.075 1.00 0.00 H new ATOM 285 N PRO A 21 -9.112 -7.645 6.294 1.00 0.00 N ATOM 286 CA PRO A 21 -9.690 -6.305 6.320 1.00 0.00 C ATOM 287 C PRO A 21 -9.425 -5.595 7.643 1.00 0.00 C ATOM 288 O PRO A 21 -10.351 -5.089 8.272 1.00 0.00 O ATOM 289 CB PRO A 21 -11.174 -6.588 6.151 1.00 0.00 C ATOM 290 CG PRO A 21 -11.377 -7.889 6.826 1.00 0.00 C ATOM 291 CD PRO A 21 -10.130 -8.679 6.561 1.00 0.00 C ATOM 0 HA PRO A 21 -9.271 -5.647 5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.782 -5.805 6.604 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.452 -6.638 5.098 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.536 -7.755 7.896 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.256 -8.401 6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.858 -9.297 7.417 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.253 -9.349 5.710 1.00 0.00 H new ATOM 299 N ASP A 22 -8.146 -5.548 8.044 1.00 0.00 N ATOM 300 CA ASP A 22 -7.742 -4.917 9.317 1.00 0.00 C ATOM 301 C ASP A 22 -6.314 -5.309 9.760 1.00 0.00 C ATOM 302 O ASP A 22 -5.822 -4.797 10.766 1.00 0.00 O ATOM 303 CB ASP A 22 -8.738 -5.293 10.434 1.00 0.00 C ATOM 304 CG ASP A 22 -8.267 -4.906 11.829 1.00 0.00 C ATOM 305 OD1 ASP A 22 -7.671 -3.819 11.978 1.00 0.00 O ATOM 306 OD2 ASP A 22 -8.489 -5.697 12.769 1.00 0.00 O ATOM 0 H ASP A 22 -7.371 -5.938 7.508 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.748 -3.841 9.144 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.694 -4.808 10.235 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.914 -6.368 10.405 1.00 0.00 H new ATOM 311 N THR A 23 -5.643 -6.196 9.027 1.00 0.00 N ATOM 312 CA THR A 23 -4.307 -6.634 9.410 1.00 0.00 C ATOM 313 C THR A 23 -3.193 -5.843 8.735 1.00 0.00 C ATOM 314 O THR A 23 -2.138 -5.668 9.336 1.00 0.00 O ATOM 315 CB THR A 23 -4.112 -8.108 9.052 1.00 0.00 C ATOM 316 OG1 THR A 23 -4.535 -8.329 7.703 1.00 0.00 O ATOM 317 CG2 THR A 23 -4.896 -9.009 9.993 1.00 0.00 C ATOM 0 H THR A 23 -6.001 -6.621 8.172 1.00 0.00 H new ATOM 0 HA THR A 23 -4.240 -6.469 10.485 1.00 0.00 H new ATOM 0 HB THR A 23 -3.055 -8.352 9.153 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.524 -9.290 7.510 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.738 -10.051 9.715 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.555 -8.851 11.016 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.958 -8.772 9.924 1.00 0.00 H new ATOM 325 N PHE A 24 -3.456 -5.395 7.494 1.00 0.00 N ATOM 326 CA PHE A 24 -2.509 -4.630 6.647 1.00 0.00 C ATOM 327 C PHE A 24 -2.140 -5.456 5.425 1.00 0.00 C ATOM 328 O PHE A 24 -1.125 -6.151 5.423 1.00 0.00 O ATOM 329 CB PHE A 24 -1.211 -4.218 7.351 1.00 0.00 C ATOM 330 CG PHE A 24 -1.286 -2.942 8.154 1.00 0.00 C ATOM 331 CD1 PHE A 24 -2.116 -2.815 9.262 1.00 0.00 C ATOM 332 CD2 PHE A 24 -0.494 -1.865 7.797 1.00 0.00 C ATOM 333 CE1 PHE A 24 -2.149 -1.641 9.991 1.00 0.00 C ATOM 334 CE2 PHE A 24 -0.520 -0.691 8.525 1.00 0.00 C ATOM 335 CZ PHE A 24 -1.349 -0.579 9.623 1.00 0.00 C ATOM 0 H PHE A 24 -4.353 -5.556 7.037 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.033 -3.711 6.384 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.905 -5.027 8.014 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.429 -4.109 6.600 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.743 -3.644 9.557 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.154 -1.943 6.937 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.801 -1.555 10.848 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.108 0.139 8.235 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.371 0.338 10.193 1.00 0.00 H new ATOM 345 N GLU A 25 -2.958 -5.380 4.392 1.00 0.00 N ATOM 346 CA GLU A 25 -2.708 -6.155 3.182 1.00 0.00 C ATOM 347 C GLU A 25 -1.602 -5.566 2.307 1.00 0.00 C ATOM 348 O GLU A 25 -0.737 -6.298 1.825 1.00 0.00 O ATOM 349 CB GLU A 25 -3.987 -6.276 2.361 1.00 0.00 C ATOM 350 CG GLU A 25 -5.216 -6.556 3.199 1.00 0.00 C ATOM 351 CD GLU A 25 -6.461 -6.771 2.362 1.00 0.00 C ATOM 352 OE1 GLU A 25 -7.131 -5.771 2.026 1.00 0.00 O ATOM 353 OE2 GLU A 25 -6.767 -7.939 2.042 1.00 0.00 O ATOM 0 H GLU A 25 -3.794 -4.797 4.361 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.372 -7.138 3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.140 -5.353 1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.866 -7.075 1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.039 -7.440 3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.382 -5.723 3.882 1.00 0.00 H new ATOM 360 N PRO A 26 -1.605 -4.243 2.086 1.00 0.00 N ATOM 361 CA PRO A 26 -0.619 -3.597 1.227 1.00 0.00 C ATOM 362 C PRO A 26 0.707 -3.231 1.901 1.00 0.00 C ATOM 363 O PRO A 26 1.761 -3.764 1.552 1.00 0.00 O ATOM 364 CB PRO A 26 -1.335 -2.322 0.788 1.00 0.00 C ATOM 365 CG PRO A 26 -2.309 -2.009 1.870 1.00 0.00 C ATOM 366 CD PRO A 26 -2.571 -3.282 2.639 1.00 0.00 C ATOM 0 HA PRO A 26 -0.318 -4.276 0.429 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.628 -1.504 0.650 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.843 -2.468 -0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.911 -1.239 2.531 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.236 -1.620 1.449 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.422 -3.139 3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.597 -3.625 2.503 1.00 0.00 H new ATOM 374 N GLN A 27 0.640 -2.325 2.866 1.00 0.00 N ATOM 375 CA GLN A 27 1.816 -1.810 3.547 1.00 0.00 C ATOM 376 C GLN A 27 2.642 -2.858 4.295 1.00 0.00 C ATOM 377 O GLN A 27 3.870 -2.778 4.315 1.00 0.00 O ATOM 378 CB GLN A 27 1.376 -0.729 4.517 1.00 0.00 C ATOM 379 CG GLN A 27 2.271 0.486 4.512 1.00 0.00 C ATOM 380 CD GLN A 27 3.534 0.294 5.328 1.00 0.00 C ATOM 381 OE1 GLN A 27 4.553 -0.173 4.818 1.00 0.00 O ATOM 382 NE2 GLN A 27 3.473 0.656 6.605 1.00 0.00 N ATOM 0 H GLN A 27 -0.237 -1.925 3.199 1.00 0.00 H new ATOM 0 HA GLN A 27 2.475 -1.424 2.769 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.360 -0.422 4.270 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.348 -1.145 5.524 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.542 0.727 3.484 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.718 1.340 4.904 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.608 1.039 6.986 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.292 0.551 7.204 1.00 0.00 H new ATOM 391 N LYS A 28 1.985 -3.832 4.903 1.00 0.00 N ATOM 392 CA LYS A 28 2.703 -4.836 5.679 1.00 0.00 C ATOM 393 C LYS A 28 3.531 -5.730 4.774 1.00 0.00 C ATOM 394 O LYS A 28 4.681 -6.047 5.076 1.00 0.00 O ATOM 395 CB LYS A 28 1.735 -5.674 6.510 1.00 0.00 C ATOM 396 CG LYS A 28 2.434 -6.679 7.406 1.00 0.00 C ATOM 397 CD LYS A 28 1.490 -7.271 8.434 1.00 0.00 C ATOM 398 CE LYS A 28 1.132 -6.270 9.510 1.00 0.00 C ATOM 399 NZ LYS A 28 2.324 -5.839 10.293 1.00 0.00 N ATOM 0 H LYS A 28 0.972 -3.951 4.877 1.00 0.00 H new ATOM 0 HA LYS A 28 3.378 -4.314 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.125 -5.011 7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.056 -6.203 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.855 -7.479 6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.267 -6.194 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.581 -7.613 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.952 -8.146 8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.665 -5.398 9.052 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.396 -6.710 10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.015 -5.424 11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.932 -6.661 10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.858 -5.130 9.751 1.00 0.00 H new ATOM 413 N PHE A 29 2.937 -6.133 3.667 1.00 0.00 N ATOM 414 CA PHE A 29 3.617 -6.981 2.707 1.00 0.00 C ATOM 415 C PHE A 29 4.897 -6.299 2.221 1.00 0.00 C ATOM 416 O PHE A 29 5.954 -6.920 2.111 1.00 0.00 O ATOM 417 CB PHE A 29 2.635 -7.324 1.564 1.00 0.00 C ATOM 418 CG PHE A 29 3.009 -6.894 0.164 1.00 0.00 C ATOM 419 CD1 PHE A 29 4.250 -7.194 -0.374 1.00 0.00 C ATOM 420 CD2 PHE A 29 2.089 -6.227 -0.626 1.00 0.00 C ATOM 421 CE1 PHE A 29 4.568 -6.836 -1.667 1.00 0.00 C ATOM 422 CE2 PHE A 29 2.403 -5.859 -1.917 1.00 0.00 C ATOM 423 CZ PHE A 29 3.645 -6.166 -2.438 1.00 0.00 C ATOM 0 H PHE A 29 1.981 -5.886 3.410 1.00 0.00 H new ATOM 0 HA PHE A 29 3.928 -7.920 3.166 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.493 -8.405 1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.670 -6.878 1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.979 -7.716 0.228 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.114 -5.992 -0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.538 -7.080 -2.074 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.679 -5.331 -2.520 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.892 -5.880 -3.450 1.00 0.00 H new ATOM 433 N PHE A 30 4.770 -5.015 1.937 1.00 0.00 N ATOM 434 CA PHE A 30 5.887 -4.223 1.454 1.00 0.00 C ATOM 435 C PHE A 30 7.068 -4.339 2.398 1.00 0.00 C ATOM 436 O PHE A 30 8.154 -4.760 2.015 1.00 0.00 O ATOM 437 CB PHE A 30 5.502 -2.753 1.383 1.00 0.00 C ATOM 438 CG PHE A 30 4.374 -2.421 0.470 1.00 0.00 C ATOM 439 CD1 PHE A 30 4.077 -3.215 -0.612 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.609 -1.291 0.702 1.00 0.00 C ATOM 441 CE1 PHE A 30 3.035 -2.884 -1.447 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.565 -0.958 -0.130 1.00 0.00 C ATOM 443 CZ PHE A 30 2.277 -1.757 -1.208 1.00 0.00 C ATOM 0 H PHE A 30 3.898 -4.495 2.034 1.00 0.00 H new ATOM 0 HA PHE A 30 6.152 -4.598 0.465 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.243 -2.416 2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.377 -2.183 1.071 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.663 -4.101 -0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.835 -0.661 1.549 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.809 -3.512 -2.296 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.976 -0.074 0.064 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.460 -1.504 -1.867 1.00 0.00 H new ATOM 453 N GLN A 31 6.818 -3.985 3.649 1.00 0.00 N ATOM 454 CA GLN A 31 7.830 -3.979 4.674 1.00 0.00 C ATOM 455 C GLN A 31 8.496 -5.323 4.883 1.00 0.00 C ATOM 456 O GLN A 31 9.687 -5.484 4.620 1.00 0.00 O ATOM 457 CB GLN A 31 7.185 -3.548 5.980 1.00 0.00 C ATOM 458 CG GLN A 31 6.759 -2.093 5.997 1.00 0.00 C ATOM 459 CD GLN A 31 7.845 -1.175 5.472 1.00 0.00 C ATOM 460 OE1 GLN A 31 7.558 -0.138 4.875 1.00 0.00 O ATOM 461 NE2 GLN A 31 9.106 -1.549 5.690 1.00 0.00 N ATOM 0 H GLN A 31 5.897 -3.693 3.976 1.00 0.00 H new ATOM 0 HA GLN A 31 8.610 -3.290 4.349 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.314 -4.175 6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.886 -3.722 6.796 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.859 -1.972 5.393 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.501 -1.803 7.016 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.302 -2.417 6.189 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.875 -0.967 5.357 1.00 0.00 H new ATOM 470 N THR A 32 7.723 -6.284 5.352 1.00 0.00 N ATOM 471 CA THR A 32 8.247 -7.608 5.641 1.00 0.00 C ATOM 472 C THR A 32 9.185 -8.102 4.539 1.00 0.00 C ATOM 473 O THR A 32 10.335 -8.453 4.800 1.00 0.00 O ATOM 474 CB THR A 32 7.105 -8.622 5.843 1.00 0.00 C ATOM 475 OG1 THR A 32 6.298 -8.231 6.961 1.00 0.00 O ATOM 476 CG2 THR A 32 7.645 -10.027 6.073 1.00 0.00 C ATOM 0 H THR A 32 6.727 -6.173 5.542 1.00 0.00 H new ATOM 0 HA THR A 32 8.819 -7.526 6.565 1.00 0.00 H new ATOM 0 HB THR A 32 6.501 -8.631 4.936 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.573 -8.879 7.083 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.814 -10.718 6.212 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.234 -10.336 5.209 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.275 -10.034 6.963 1.00 0.00 H new ATOM 484 N SER A 33 8.686 -8.126 3.310 1.00 0.00 N ATOM 485 CA SER A 33 9.475 -8.591 2.183 1.00 0.00 C ATOM 486 C SER A 33 10.405 -7.525 1.609 1.00 0.00 C ATOM 487 O SER A 33 11.624 -7.696 1.597 1.00 0.00 O ATOM 488 CB SER A 33 8.564 -9.146 1.088 1.00 0.00 C ATOM 489 OG SER A 33 9.322 -9.702 0.028 1.00 0.00 O ATOM 0 H SER A 33 7.740 -7.829 3.071 1.00 0.00 H new ATOM 0 HA SER A 33 10.117 -9.385 2.566 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.907 -9.908 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.925 -8.351 0.704 1.00 0.00 H new ATOM 0 HG SER A 33 10.277 -9.638 0.240 1.00 0.00 H new ATOM 495 N GLY A 34 9.827 -6.421 1.130 1.00 0.00 N ATOM 496 CA GLY A 34 10.647 -5.424 0.463 1.00 0.00 C ATOM 497 C GLY A 34 11.064 -4.164 1.220 1.00 0.00 C ATOM 498 O GLY A 34 12.224 -4.015 1.600 1.00 0.00 O ATOM 0 H GLY A 34 8.832 -6.204 1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.558 -5.921 0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.111 -5.106 -0.431 1.00 0.00 H new ATOM 502 N LEU A 35 10.104 -3.299 1.514 1.00 0.00 N ATOM 503 CA LEU A 35 10.391 -1.998 2.081 1.00 0.00 C ATOM 504 C LEU A 35 11.400 -2.054 3.221 1.00 0.00 C ATOM 505 O LEU A 35 12.283 -1.200 3.312 1.00 0.00 O ATOM 506 CB LEU A 35 9.076 -1.364 2.514 1.00 0.00 C ATOM 507 CG LEU A 35 8.599 -0.214 1.631 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.834 -0.504 0.149 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.137 0.098 1.894 1.00 0.00 C ATOM 0 H LEU A 35 9.111 -3.482 1.366 1.00 0.00 H new ATOM 0 HA LEU A 35 10.866 -1.381 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.305 -2.135 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.184 -0.999 3.535 1.00 0.00 H new ATOM 0 HG LEU A 35 9.190 0.664 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.481 0.338 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.899 -0.653 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.289 -1.404 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.820 0.921 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.533 -0.783 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.008 0.381 2.939 1.00 0.00 H new ATOM 521 N SER A 36 11.273 -3.046 4.092 1.00 0.00 N ATOM 522 CA SER A 36 12.197 -3.208 5.215 1.00 0.00 C ATOM 523 C SER A 36 13.655 -2.896 4.838 1.00 0.00 C ATOM 524 O SER A 36 14.444 -2.505 5.698 1.00 0.00 O ATOM 525 CB SER A 36 12.106 -4.631 5.769 1.00 0.00 C ATOM 526 OG SER A 36 12.399 -5.588 4.768 1.00 0.00 O ATOM 0 H SER A 36 10.539 -3.753 4.045 1.00 0.00 H new ATOM 0 HA SER A 36 11.896 -2.487 5.975 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.801 -4.746 6.601 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.105 -4.808 6.163 1.00 0.00 H new ATOM 0 HG SER A 36 11.566 -5.886 4.346 1.00 0.00 H new ATOM 532 N LYS A 37 14.017 -3.065 3.563 1.00 0.00 N ATOM 533 CA LYS A 37 15.394 -2.794 3.134 1.00 0.00 C ATOM 534 C LYS A 37 15.483 -2.084 1.772 1.00 0.00 C ATOM 535 O LYS A 37 16.420 -1.321 1.531 1.00 0.00 O ATOM 536 CB LYS A 37 16.184 -4.103 3.075 1.00 0.00 C ATOM 537 CG LYS A 37 16.294 -4.812 4.412 1.00 0.00 C ATOM 538 CD LYS A 37 17.231 -4.080 5.360 1.00 0.00 C ATOM 539 CE LYS A 37 17.422 -4.850 6.657 1.00 0.00 C ATOM 540 NZ LYS A 37 18.413 -4.195 7.554 1.00 0.00 N ATOM 0 H LYS A 37 13.391 -3.382 2.822 1.00 0.00 H new ATOM 0 HA LYS A 37 15.820 -2.116 3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.708 -4.772 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.186 -3.895 2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.306 -4.890 4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.655 -5.829 4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.197 -3.933 4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.830 -3.090 5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.466 -4.934 7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.752 -5.864 6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.513 -4.752 8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.333 -4.138 7.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.086 -3.236 7.791 1.00 0.00 H new ATOM 554 N MET A 38 14.519 -2.328 0.887 1.00 0.00 N ATOM 555 CA MET A 38 14.525 -1.731 -0.449 1.00 0.00 C ATOM 556 C MET A 38 14.752 -0.225 -0.433 1.00 0.00 C ATOM 557 O MET A 38 14.363 0.469 0.507 1.00 0.00 O ATOM 558 CB MET A 38 13.211 -2.031 -1.150 1.00 0.00 C ATOM 559 CG MET A 38 12.955 -3.514 -1.304 1.00 0.00 C ATOM 560 SD MET A 38 14.238 -4.348 -2.259 1.00 0.00 S ATOM 561 CE MET A 38 13.764 -6.063 -2.054 1.00 0.00 C ATOM 0 H MET A 38 13.721 -2.937 1.071 1.00 0.00 H new ATOM 0 HA MET A 38 15.362 -2.177 -0.986 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.393 -1.582 -0.587 1.00 0.00 H new ATOM 0 HB3 MET A 38 13.214 -1.563 -2.134 1.00 0.00 H new ATOM 0 HG2 MET A 38 12.888 -3.971 -0.317 1.00 0.00 H new ATOM 0 HG3 MET A 38 11.991 -3.663 -1.791 1.00 0.00 H new ATOM 0 HE1 MET A 38 13.969 -6.610 -2.974 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.334 -6.503 -1.236 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.700 -6.122 -1.827 1.00 0.00 H new ATOM 571 N SER A 39 15.391 0.268 -1.495 1.00 0.00 N ATOM 572 CA SER A 39 15.673 1.687 -1.643 1.00 0.00 C ATOM 573 C SER A 39 14.422 2.462 -2.056 1.00 0.00 C ATOM 574 O SER A 39 13.368 1.877 -2.297 1.00 0.00 O ATOM 575 CB SER A 39 16.779 1.900 -2.675 1.00 0.00 C ATOM 576 OG SER A 39 17.970 1.234 -2.292 1.00 0.00 O ATOM 0 H SER A 39 15.724 -0.306 -2.270 1.00 0.00 H new ATOM 0 HA SER A 39 16.004 2.064 -0.675 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.450 1.532 -3.647 1.00 0.00 H new ATOM 0 HB3 SER A 39 16.975 2.966 -2.788 1.00 0.00 H new ATOM 0 HG SER A 39 18.661 1.385 -2.970 1.00 0.00 H new ATOM 582 N ALA A 40 14.556 3.780 -2.135 1.00 0.00 N ATOM 583 CA ALA A 40 13.445 4.651 -2.512 1.00 0.00 C ATOM 584 C ALA A 40 12.992 4.435 -3.961 1.00 0.00 C ATOM 585 O ALA A 40 11.800 4.337 -4.242 1.00 0.00 O ATOM 586 CB ALA A 40 13.820 6.108 -2.289 1.00 0.00 C ATOM 0 H ALA A 40 15.428 4.273 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 40 12.602 4.389 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.984 6.747 -2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.055 6.266 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.690 6.357 -2.897 1.00 0.00 H new ATOM 592 N SER A 41 13.956 4.358 -4.877 1.00 0.00 N ATOM 593 CA SER A 41 13.676 4.221 -6.305 1.00 0.00 C ATOM 594 C SER A 41 12.650 3.147 -6.631 1.00 0.00 C ATOM 595 O SER A 41 11.600 3.442 -7.203 1.00 0.00 O ATOM 596 CB SER A 41 14.972 3.921 -7.056 1.00 0.00 C ATOM 597 OG SER A 41 15.706 2.894 -6.412 1.00 0.00 O ATOM 0 H SER A 41 14.950 4.389 -4.651 1.00 0.00 H new ATOM 0 HA SER A 41 13.247 5.171 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.743 3.623 -8.079 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.579 4.824 -7.116 1.00 0.00 H new ATOM 0 HG SER A 41 16.530 2.718 -6.912 1.00 0.00 H new ATOM 603 N GLN A 42 12.939 1.907 -6.274 1.00 0.00 N ATOM 604 CA GLN A 42 12.017 0.818 -6.590 1.00 0.00 C ATOM 605 C GLN A 42 10.677 1.016 -5.901 1.00 0.00 C ATOM 606 O GLN A 42 9.639 0.574 -6.392 1.00 0.00 O ATOM 607 CB GLN A 42 12.592 -0.534 -6.213 1.00 0.00 C ATOM 608 CG GLN A 42 12.650 -0.758 -4.728 1.00 0.00 C ATOM 609 CD GLN A 42 12.965 -2.196 -4.391 1.00 0.00 C ATOM 610 OE1 GLN A 42 14.105 -2.637 -4.518 1.00 0.00 O ATOM 611 NE2 GLN A 42 11.955 -2.926 -3.925 1.00 0.00 N ATOM 0 H GLN A 42 13.784 1.628 -5.776 1.00 0.00 H new ATOM 0 HA GLN A 42 11.866 0.837 -7.669 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.988 -1.319 -6.669 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.596 -0.623 -6.627 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.408 -0.108 -4.291 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.696 -0.480 -4.281 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.026 -2.514 -3.838 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.110 -3.897 -3.655 1.00 0.00 H new ATOM 620 N VAL A 43 10.708 1.705 -4.773 1.00 0.00 N ATOM 621 CA VAL A 43 9.487 1.956 -4.029 1.00 0.00 C ATOM 622 C VAL A 43 8.486 2.676 -4.927 1.00 0.00 C ATOM 623 O VAL A 43 7.275 2.575 -4.736 1.00 0.00 O ATOM 624 CB VAL A 43 9.728 2.775 -2.755 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.413 2.987 -2.029 1.00 0.00 C ATOM 626 CG2 VAL A 43 10.731 2.067 -1.856 1.00 0.00 C ATOM 0 H VAL A 43 11.553 2.096 -4.357 1.00 0.00 H new ATOM 0 HA VAL A 43 9.091 0.990 -3.715 1.00 0.00 H new ATOM 0 HB VAL A 43 10.141 3.747 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.587 3.569 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.721 3.524 -2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.985 2.021 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 43 10.893 2.659 -0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.344 1.086 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.675 1.948 -2.387 1.00 0.00 H new ATOM 636 N LYS A 44 9.014 3.404 -5.907 1.00 0.00 N ATOM 637 CA LYS A 44 8.178 4.100 -6.875 1.00 0.00 C ATOM 638 C LYS A 44 7.249 3.102 -7.548 1.00 0.00 C ATOM 639 O LYS A 44 6.039 3.314 -7.640 1.00 0.00 O ATOM 640 CB LYS A 44 9.040 4.776 -7.943 1.00 0.00 C ATOM 641 CG LYS A 44 9.824 5.981 -7.449 1.00 0.00 C ATOM 642 CD LYS A 44 10.910 6.395 -8.436 1.00 0.00 C ATOM 643 CE LYS A 44 10.400 6.428 -9.870 1.00 0.00 C ATOM 644 NZ LYS A 44 11.445 6.889 -10.825 1.00 0.00 N ATOM 0 H LYS A 44 10.017 3.526 -6.050 1.00 0.00 H new ATOM 0 HA LYS A 44 7.599 4.861 -6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.739 4.043 -8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.398 5.089 -8.766 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.143 6.816 -7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.278 5.749 -6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.290 7.380 -8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.747 5.700 -8.366 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.061 5.433 -10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.536 7.089 -9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.055 6.896 -11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.751 7.849 -10.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.260 6.244 -10.786 1.00 0.00 H new ATOM 658 N ASP A 45 7.841 2.008 -8.015 1.00 0.00 N ATOM 659 CA ASP A 45 7.097 0.950 -8.680 1.00 0.00 C ATOM 660 C ASP A 45 6.175 0.263 -7.689 1.00 0.00 C ATOM 661 O ASP A 45 5.022 -0.037 -7.994 1.00 0.00 O ATOM 662 CB ASP A 45 8.060 -0.074 -9.285 1.00 0.00 C ATOM 663 CG ASP A 45 7.900 -0.205 -10.787 1.00 0.00 C ATOM 664 OD1 ASP A 45 7.062 -1.020 -11.226 1.00 0.00 O ATOM 665 OD2 ASP A 45 8.613 0.508 -11.524 1.00 0.00 O ATOM 0 H ASP A 45 8.843 1.832 -7.943 1.00 0.00 H new ATOM 0 HA ASP A 45 6.501 1.391 -9.479 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.085 0.217 -9.056 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.893 -1.045 -8.819 1.00 0.00 H new ATOM 670 N ILE A 46 6.701 0.018 -6.495 1.00 0.00 N ATOM 671 CA ILE A 46 5.939 -0.619 -5.445 1.00 0.00 C ATOM 672 C ILE A 46 4.689 0.195 -5.139 1.00 0.00 C ATOM 673 O ILE A 46 3.576 -0.327 -5.182 1.00 0.00 O ATOM 674 CB ILE A 46 6.834 -0.808 -4.198 1.00 0.00 C ATOM 675 CG1 ILE A 46 7.662 -2.080 -4.358 1.00 0.00 C ATOM 676 CG2 ILE A 46 6.035 -0.856 -2.899 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.343 -2.217 -5.706 1.00 0.00 C ATOM 0 H ILE A 46 7.659 0.255 -6.236 1.00 0.00 H new ATOM 0 HA ILE A 46 5.609 -1.606 -5.770 1.00 0.00 H new ATOM 0 HB ILE A 46 7.489 0.061 -4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.421 -2.106 -3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.015 -2.943 -4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.715 -0.990 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.485 0.077 -2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.333 -1.689 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.910 -3.148 -5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.591 -2.226 -6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.019 -1.376 -5.859 1.00 0.00 H new ATOM 689 N PHE A 47 4.875 1.472 -4.823 1.00 0.00 N ATOM 690 CA PHE A 47 3.755 2.358 -4.524 1.00 0.00 C ATOM 691 C PHE A 47 2.591 2.147 -5.480 1.00 0.00 C ATOM 692 O PHE A 47 1.429 2.328 -5.117 1.00 0.00 O ATOM 693 CB PHE A 47 4.207 3.808 -4.601 1.00 0.00 C ATOM 694 CG PHE A 47 3.214 4.755 -4.021 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.782 4.569 -2.731 1.00 0.00 C ATOM 696 CD2 PHE A 47 2.710 5.818 -4.751 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.868 5.420 -2.167 1.00 0.00 C ATOM 698 CE2 PHE A 47 1.787 6.679 -4.186 1.00 0.00 C ATOM 699 CZ PHE A 47 1.368 6.476 -2.892 1.00 0.00 C ATOM 0 H PHE A 47 5.791 1.917 -4.767 1.00 0.00 H new ATOM 0 HA PHE A 47 3.414 2.121 -3.516 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.155 3.916 -4.075 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.388 4.072 -5.643 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.167 3.742 -2.154 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.040 5.976 -5.767 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.540 5.261 -1.151 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.397 7.507 -4.759 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.647 7.145 -2.446 1.00 0.00 H new ATOM 709 N ARG A 48 2.916 1.764 -6.702 1.00 0.00 N ATOM 710 CA ARG A 48 1.902 1.538 -7.718 1.00 0.00 C ATOM 711 C ARG A 48 0.855 0.534 -7.242 1.00 0.00 C ATOM 712 O ARG A 48 -0.272 0.526 -7.738 1.00 0.00 O ATOM 713 CB ARG A 48 2.546 1.070 -9.017 1.00 0.00 C ATOM 714 CG ARG A 48 3.587 2.043 -9.544 1.00 0.00 C ATOM 715 CD ARG A 48 3.039 3.464 -9.613 1.00 0.00 C ATOM 716 NE ARG A 48 3.994 4.384 -10.224 1.00 0.00 N ATOM 717 CZ ARG A 48 4.149 4.520 -11.537 1.00 0.00 C ATOM 718 NH1 ARG A 48 3.423 3.789 -12.373 1.00 0.00 N ATOM 719 NH2 ARG A 48 5.035 5.382 -12.017 1.00 0.00 N ATOM 0 H ARG A 48 3.873 1.603 -7.015 1.00 0.00 H new ATOM 0 HA ARG A 48 1.394 2.484 -7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.013 0.098 -8.856 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.771 0.931 -9.771 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.466 2.022 -8.899 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.911 1.728 -10.536 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.112 3.469 -10.186 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.794 3.808 -8.608 1.00 0.00 H new ATOM 0 HE ARG A 48 4.575 4.954 -9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.744 3.121 -12.008 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.544 3.895 -13.380 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.599 5.942 -11.378 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.152 5.485 -13.025 1.00 0.00 H new ATOM 733 N PHE A 49 1.222 -0.318 -6.279 1.00 0.00 N ATOM 734 CA PHE A 49 0.281 -1.299 -5.744 1.00 0.00 C ATOM 735 C PHE A 49 -1.015 -0.610 -5.348 1.00 0.00 C ATOM 736 O PHE A 49 -2.072 -0.886 -5.913 1.00 0.00 O ATOM 737 CB PHE A 49 0.876 -2.024 -4.539 1.00 0.00 C ATOM 738 CG PHE A 49 0.000 -3.130 -4.016 1.00 0.00 C ATOM 739 CD1 PHE A 49 -0.293 -4.227 -4.811 1.00 0.00 C ATOM 740 CD2 PHE A 49 -0.528 -3.078 -2.733 1.00 0.00 C ATOM 741 CE1 PHE A 49 -1.094 -5.249 -4.341 1.00 0.00 C ATOM 742 CE2 PHE A 49 -1.329 -4.103 -2.259 1.00 0.00 C ATOM 743 CZ PHE A 49 -1.611 -5.187 -3.063 1.00 0.00 C ATOM 0 H PHE A 49 2.152 -0.346 -5.861 1.00 0.00 H new ATOM 0 HA PHE A 49 0.075 -2.037 -6.520 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.846 -2.438 -4.816 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.053 -1.303 -3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.110 -4.283 -5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.312 -2.231 -2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.316 -6.096 -4.973 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.733 -4.053 -1.259 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.236 -5.987 -2.693 1.00 0.00 H new ATOM 753 N ILE A 50 -0.932 0.285 -4.364 1.00 0.00 N ATOM 754 CA ILE A 50 -2.105 1.025 -3.937 1.00 0.00 C ATOM 755 C ILE A 50 -2.617 1.871 -5.110 1.00 0.00 C ATOM 756 O ILE A 50 -2.419 1.484 -6.261 1.00 0.00 O ATOM 757 CB ILE A 50 -1.828 1.869 -2.662 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.535 2.682 -2.767 1.00 0.00 C ATOM 759 CG2 ILE A 50 -1.756 0.955 -1.450 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.299 3.561 -1.555 1.00 0.00 C ATOM 0 H ILE A 50 -0.075 0.509 -3.858 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.889 0.323 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.651 2.576 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.308 2.002 -2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.573 3.305 -3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.562 1.549 -0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.703 0.427 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.952 0.232 -1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.631 4.115 -1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.127 4.262 -1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.231 2.939 -0.662 1.00 0.00 H new ATOM 772 N ASP A 51 -3.262 3.006 -4.865 1.00 0.00 N ATOM 773 CA ASP A 51 -3.776 3.810 -5.968 1.00 0.00 C ATOM 774 C ASP A 51 -2.645 4.552 -6.684 1.00 0.00 C ATOM 775 O ASP A 51 -1.533 4.650 -6.166 1.00 0.00 O ATOM 776 CB ASP A 51 -4.856 4.764 -5.464 1.00 0.00 C ATOM 777 CG ASP A 51 -6.230 4.126 -5.514 1.00 0.00 C ATOM 778 OD1 ASP A 51 -6.626 3.489 -4.515 1.00 0.00 O ATOM 779 OD2 ASP A 51 -6.911 4.260 -6.554 1.00 0.00 O ATOM 0 H ASP A 51 -3.439 3.384 -3.934 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.232 3.147 -6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.630 5.063 -4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.853 5.671 -6.069 1.00 0.00 H new ATOM 784 N ASN A 52 -2.936 5.072 -7.879 1.00 0.00 N ATOM 785 CA ASN A 52 -1.912 5.750 -8.673 1.00 0.00 C ATOM 786 C ASN A 52 -2.241 7.202 -9.038 1.00 0.00 C ATOM 787 O ASN A 52 -1.372 8.068 -8.940 1.00 0.00 O ATOM 788 CB ASN A 52 -1.662 4.956 -9.954 1.00 0.00 C ATOM 789 CG ASN A 52 -0.598 5.579 -10.843 1.00 0.00 C ATOM 790 OD1 ASN A 52 -0.682 5.506 -12.068 1.00 0.00 O ATOM 791 ND2 ASN A 52 0.415 6.190 -10.234 1.00 0.00 N ATOM 0 H ASN A 52 -3.859 5.037 -8.312 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.024 5.793 -8.042 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.360 3.942 -9.693 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.594 4.877 -10.513 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.158 6.619 -10.786 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.449 6.229 -9.215 1.00 0.00 H new ATOM 798 N ASP A 53 -3.472 7.490 -9.458 1.00 0.00 N ATOM 799 CA ASP A 53 -3.806 8.863 -9.845 1.00 0.00 C ATOM 800 C ASP A 53 -5.264 9.218 -9.587 1.00 0.00 C ATOM 801 O ASP A 53 -5.974 9.678 -10.481 1.00 0.00 O ATOM 802 CB ASP A 53 -3.471 9.094 -11.318 1.00 0.00 C ATOM 803 CG ASP A 53 -2.008 8.843 -11.624 1.00 0.00 C ATOM 804 OD1 ASP A 53 -1.180 9.734 -11.342 1.00 0.00 O ATOM 805 OD2 ASP A 53 -1.689 7.754 -12.145 1.00 0.00 O ATOM 0 H ASP A 53 -4.234 6.817 -9.538 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.202 9.518 -9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.086 8.439 -11.935 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.726 10.119 -11.589 1.00 0.00 H new ATOM 810 N GLN A 54 -5.696 8.995 -8.363 1.00 0.00 N ATOM 811 CA GLN A 54 -7.062 9.316 -7.974 1.00 0.00 C ATOM 812 C GLN A 54 -7.337 10.815 -8.108 1.00 0.00 C ATOM 813 O GLN A 54 -8.202 11.221 -8.885 1.00 0.00 O ATOM 814 CB GLN A 54 -7.319 8.851 -6.545 1.00 0.00 C ATOM 815 CG GLN A 54 -6.697 7.498 -6.250 1.00 0.00 C ATOM 816 CD GLN A 54 -7.409 6.744 -5.149 1.00 0.00 C ATOM 817 OE1 GLN A 54 -6.982 6.956 -3.908 1.00 0.00 O flip ATOM 818 NE2 GLN A 54 -8.337 5.976 -5.406 1.00 0.00 N flip ATOM 0 H GLN A 54 -5.126 8.594 -7.619 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.742 8.792 -8.646 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.920 9.589 -5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.394 8.798 -6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.705 6.896 -7.158 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.653 7.638 -5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.635 5.841 -6.372 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.808 5.475 -4.653 1.00 0.00 H new ATOM 827 N SER A 55 -6.610 11.638 -7.358 1.00 0.00 N ATOM 828 CA SER A 55 -6.801 13.086 -7.427 1.00 0.00 C ATOM 829 C SER A 55 -5.540 13.839 -7.011 1.00 0.00 C ATOM 830 O SER A 55 -5.609 14.806 -6.253 1.00 0.00 O ATOM 831 CB SER A 55 -7.972 13.507 -6.535 1.00 0.00 C ATOM 832 OG SER A 55 -9.174 12.872 -6.937 1.00 0.00 O ATOM 0 H SER A 55 -5.891 11.333 -6.702 1.00 0.00 H new ATOM 0 HA SER A 55 -7.021 13.341 -8.464 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.753 13.254 -5.498 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.096 14.589 -6.579 1.00 0.00 H new ATOM 0 HG SER A 55 -9.356 12.112 -6.346 1.00 0.00 H new ATOM 838 N GLY A 56 -4.387 13.396 -7.509 1.00 0.00 N ATOM 839 CA GLY A 56 -3.133 14.044 -7.155 1.00 0.00 C ATOM 840 C GLY A 56 -2.438 13.344 -6.004 1.00 0.00 C ATOM 841 O GLY A 56 -1.214 13.378 -5.877 1.00 0.00 O ATOM 0 H GLY A 56 -4.298 12.605 -8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.474 14.057 -8.023 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.325 15.082 -6.885 1.00 0.00 H new ATOM 845 N TYR A 57 -3.247 12.712 -5.170 1.00 0.00 N ATOM 846 CA TYR A 57 -2.773 11.988 -4.002 1.00 0.00 C ATOM 847 C TYR A 57 -3.802 10.941 -3.633 1.00 0.00 C ATOM 848 O TYR A 57 -4.934 10.976 -4.117 1.00 0.00 O ATOM 849 CB TYR A 57 -2.575 12.937 -2.800 1.00 0.00 C ATOM 850 CG TYR A 57 -2.851 14.385 -3.104 1.00 0.00 C ATOM 851 CD1 TYR A 57 -4.146 14.842 -3.074 1.00 0.00 C ATOM 852 CD2 TYR A 57 -1.838 15.277 -3.433 1.00 0.00 C ATOM 853 CE1 TYR A 57 -4.449 16.157 -3.364 1.00 0.00 C ATOM 854 CE2 TYR A 57 -2.125 16.599 -3.722 1.00 0.00 C ATOM 855 CZ TYR A 57 -3.434 17.034 -3.686 1.00 0.00 C ATOM 856 OH TYR A 57 -3.729 18.346 -3.976 1.00 0.00 O ATOM 0 H TYR A 57 -4.260 12.687 -5.286 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.814 11.528 -4.241 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.228 12.617 -1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.550 12.842 -2.441 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.943 14.159 -2.819 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.814 14.934 -3.463 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.474 16.497 -3.339 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.330 17.286 -3.974 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.902 18.830 -4.181 1.00 0.00 H new ATOM 866 N LEU A 58 -3.422 10.015 -2.782 1.00 0.00 N ATOM 867 CA LEU A 58 -4.345 8.992 -2.347 1.00 0.00 C ATOM 868 C LEU A 58 -4.841 9.370 -0.964 1.00 0.00 C ATOM 869 O LEU A 58 -4.091 9.954 -0.191 1.00 0.00 O ATOM 870 CB LEU A 58 -3.649 7.633 -2.330 1.00 0.00 C ATOM 871 CG LEU A 58 -2.753 7.360 -3.542 1.00 0.00 C ATOM 872 CD1 LEU A 58 -1.966 6.072 -3.357 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.581 7.304 -4.804 1.00 0.00 C ATOM 0 H LEU A 58 -2.487 9.949 -2.380 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.190 8.918 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.046 7.560 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.407 6.852 -2.272 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.039 8.179 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.338 5.901 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.339 6.153 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.657 5.237 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.931 7.109 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.319 6.506 -4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.092 8.256 -4.947 1.00 0.00 H new ATOM 885 N ASP A 59 -6.087 9.052 -0.635 1.00 0.00 N ATOM 886 CA ASP A 59 -6.608 9.431 0.672 1.00 0.00 C ATOM 887 C ASP A 59 -7.572 8.390 1.217 1.00 0.00 C ATOM 888 O ASP A 59 -8.221 7.649 0.477 1.00 0.00 O ATOM 889 CB ASP A 59 -7.277 10.800 0.596 1.00 0.00 C ATOM 890 CG ASP A 59 -7.686 11.319 1.961 1.00 0.00 C ATOM 891 OD1 ASP A 59 -8.775 10.939 2.439 1.00 0.00 O ATOM 892 OD2 ASP A 59 -6.917 12.107 2.552 1.00 0.00 O ATOM 0 H ASP A 59 -6.739 8.547 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.767 9.487 1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.594 11.510 0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.157 10.737 -0.044 1.00 0.00 H new ATOM 897 N GLY A 60 -7.640 8.367 2.544 1.00 0.00 N ATOM 898 CA GLY A 60 -8.425 7.386 3.282 1.00 0.00 C ATOM 899 C GLY A 60 -9.731 7.003 2.630 1.00 0.00 C ATOM 900 O GLY A 60 -10.186 5.867 2.769 1.00 0.00 O ATOM 0 H GLY A 60 -7.149 9.033 3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.824 6.487 3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.633 7.781 4.276 1.00 0.00 H new ATOM 904 N ASP A 61 -10.340 7.944 1.931 1.00 0.00 N ATOM 905 CA ASP A 61 -11.608 7.695 1.269 1.00 0.00 C ATOM 906 C ASP A 61 -11.407 6.822 0.053 1.00 0.00 C ATOM 907 O ASP A 61 -12.066 5.799 -0.137 1.00 0.00 O ATOM 908 CB ASP A 61 -12.220 9.009 0.803 1.00 0.00 C ATOM 909 CG ASP A 61 -12.103 10.108 1.841 1.00 0.00 C ATOM 910 OD1 ASP A 61 -12.995 10.199 2.710 1.00 0.00 O ATOM 911 OD2 ASP A 61 -11.120 10.876 1.785 1.00 0.00 O ATOM 0 H ASP A 61 -9.976 8.889 1.807 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.266 7.198 1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.729 9.329 -0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.272 8.851 0.564 1.00 0.00 H new ATOM 916 N GLU A 62 -10.472 7.266 -0.763 1.00 0.00 N ATOM 917 CA GLU A 62 -10.151 6.630 -2.021 1.00 0.00 C ATOM 918 C GLU A 62 -9.282 5.380 -1.857 1.00 0.00 C ATOM 919 O GLU A 62 -9.337 4.466 -2.678 1.00 0.00 O ATOM 920 CB GLU A 62 -9.470 7.659 -2.911 1.00 0.00 C ATOM 921 CG GLU A 62 -10.263 8.945 -3.056 1.00 0.00 C ATOM 922 CD GLU A 62 -9.447 10.070 -3.663 1.00 0.00 C ATOM 923 OE1 GLU A 62 -8.709 10.740 -2.911 1.00 0.00 O ATOM 924 OE2 GLU A 62 -9.548 10.282 -4.890 1.00 0.00 O ATOM 0 H GLU A 62 -9.906 8.092 -0.566 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.076 6.280 -2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.487 7.891 -2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.309 7.226 -3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.138 8.759 -3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.629 9.254 -2.077 1.00 0.00 H new ATOM 931 N LEU A 63 -8.487 5.350 -0.796 1.00 0.00 N ATOM 932 CA LEU A 63 -7.574 4.237 -0.536 1.00 0.00 C ATOM 933 C LEU A 63 -8.193 2.867 -0.822 1.00 0.00 C ATOM 934 O LEU A 63 -7.512 1.976 -1.328 1.00 0.00 O ATOM 935 CB LEU A 63 -7.102 4.288 0.921 1.00 0.00 C ATOM 936 CG LEU A 63 -6.109 5.404 1.235 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.492 5.234 2.616 1.00 0.00 C ATOM 938 CD2 LEU A 63 -5.039 5.494 0.158 1.00 0.00 C ATOM 0 H LEU A 63 -8.454 6.089 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.733 4.355 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.973 4.404 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.644 3.332 1.173 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.659 6.345 1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.791 6.047 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.278 5.252 3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.964 4.281 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.343 6.296 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.499 4.549 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.508 5.702 -0.804 1.00 0.00 H new ATOM 950 N LYS A 64 -9.471 2.689 -0.507 1.00 0.00 N ATOM 951 CA LYS A 64 -10.139 1.407 -0.720 1.00 0.00 C ATOM 952 C LYS A 64 -10.172 0.995 -2.188 1.00 0.00 C ATOM 953 O LYS A 64 -10.310 -0.188 -2.499 1.00 0.00 O ATOM 954 CB LYS A 64 -11.575 1.513 -0.216 1.00 0.00 C ATOM 955 CG LYS A 64 -11.684 1.972 1.224 1.00 0.00 C ATOM 956 CD LYS A 64 -13.019 2.644 1.497 1.00 0.00 C ATOM 957 CE LYS A 64 -14.180 1.680 1.319 1.00 0.00 C ATOM 958 NZ LYS A 64 -15.473 2.286 1.743 1.00 0.00 N ATOM 0 H LYS A 64 -10.066 3.413 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.573 0.650 -0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.123 2.208 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.058 0.541 -0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.564 1.117 1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.874 2.666 1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.027 3.039 2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.144 3.492 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.245 1.379 0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.994 0.776 1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.211 2.050 1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.742 1.912 2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.370 3.319 1.801 1.00 0.00 H new ATOM 972 N TYR A 65 -10.048 1.957 -3.085 1.00 0.00 N ATOM 973 CA TYR A 65 -10.084 1.654 -4.515 1.00 0.00 C ATOM 974 C TYR A 65 -8.794 0.995 -4.996 1.00 0.00 C ATOM 975 O TYR A 65 -8.769 0.407 -6.069 1.00 0.00 O ATOM 976 CB TYR A 65 -10.353 2.912 -5.336 1.00 0.00 C ATOM 977 CG TYR A 65 -11.488 3.748 -4.797 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.582 3.148 -4.193 1.00 0.00 C ATOM 979 CD2 TYR A 65 -11.460 5.133 -4.888 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.623 3.910 -3.691 1.00 0.00 C ATOM 981 CE2 TYR A 65 -12.496 5.900 -4.391 1.00 0.00 C ATOM 982 CZ TYR A 65 -13.574 5.284 -3.794 1.00 0.00 C ATOM 983 OH TYR A 65 -14.606 6.045 -3.295 1.00 0.00 O ATOM 0 H TYR A 65 -9.923 2.944 -2.859 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.901 0.947 -4.662 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.447 3.518 -5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.579 2.625 -6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.623 2.072 -4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.615 5.618 -5.354 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.469 3.431 -3.221 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.461 6.977 -4.470 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.416 6.994 -3.447 1.00 0.00 H new ATOM 993 N PHE A 66 -7.731 1.072 -4.197 1.00 0.00 N ATOM 994 CA PHE A 66 -6.445 0.485 -4.576 1.00 0.00 C ATOM 995 C PHE A 66 -6.630 -0.942 -5.105 1.00 0.00 C ATOM 996 O PHE A 66 -6.165 -1.282 -6.193 1.00 0.00 O ATOM 997 CB PHE A 66 -5.480 0.523 -3.363 1.00 0.00 C ATOM 998 CG PHE A 66 -5.011 -0.823 -2.848 1.00 0.00 C ATOM 999 CD1 PHE A 66 -4.239 -1.660 -3.639 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -5.353 -1.241 -1.578 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -3.818 -2.886 -3.169 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -4.937 -2.467 -1.099 1.00 0.00 C ATOM 1003 CZ PHE A 66 -4.168 -3.292 -1.896 1.00 0.00 C ATOM 0 H PHE A 66 -7.733 1.533 -3.287 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.008 1.071 -5.384 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.604 1.110 -3.638 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.974 1.051 -2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.964 -1.348 -4.636 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.954 -0.600 -0.950 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.216 -3.528 -3.795 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.212 -2.780 -0.103 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.841 -4.252 -1.525 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.311 -1.756 -4.317 1.00 0.00 N ATOM 1014 CA LEU A 67 -7.564 -3.135 -4.690 1.00 0.00 C ATOM 1015 C LEU A 67 -8.329 -3.156 -5.987 1.00 0.00 C ATOM 1016 O LEU A 67 -8.109 -4.000 -6.852 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.393 -3.803 -3.611 1.00 0.00 C ATOM 1018 CG LEU A 67 -7.791 -3.729 -2.218 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -8.873 -3.874 -1.182 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -6.734 -4.810 -2.051 1.00 0.00 C ATOM 0 H LEU A 67 -7.699 -1.484 -3.414 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.620 -3.667 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.380 -3.342 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.536 -4.851 -3.876 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.314 -2.758 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.433 -3.820 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.601 -3.071 -1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.370 -4.836 -1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.307 -4.750 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.190 -5.790 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.946 -4.666 -2.790 1.00 0.00 H new ATOM 1032 N GLN A 68 -9.226 -2.197 -6.107 1.00 0.00 N ATOM 1033 CA GLN A 68 -10.044 -2.063 -7.284 1.00 0.00 C ATOM 1034 C GLN A 68 -9.196 -1.629 -8.479 1.00 0.00 C ATOM 1035 O GLN A 68 -9.368 -2.140 -9.581 1.00 0.00 O ATOM 1036 CB GLN A 68 -11.188 -1.099 -6.991 1.00 0.00 C ATOM 1037 CG GLN A 68 -12.331 -1.773 -6.249 1.00 0.00 C ATOM 1038 CD GLN A 68 -13.566 -0.902 -6.145 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -13.801 -0.028 -6.980 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -14.370 -1.151 -5.119 1.00 0.00 N ATOM 0 H GLN A 68 -9.404 -1.493 -5.390 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.480 -3.026 -7.550 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.814 -0.264 -6.398 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.560 -0.684 -7.928 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.590 -2.701 -6.758 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.997 -2.042 -5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.133 -1.886 -4.452 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.225 -0.608 -4.997 1.00 0.00 H new ATOM 1049 N LYS A 69 -8.272 -0.694 -8.273 1.00 0.00 N ATOM 1050 CA LYS A 69 -7.394 -0.264 -9.349 1.00 0.00 C ATOM 1051 C LYS A 69 -6.636 -1.451 -9.912 1.00 0.00 C ATOM 1052 O LYS A 69 -6.714 -1.763 -11.099 1.00 0.00 O ATOM 1053 CB LYS A 69 -6.371 0.739 -8.816 1.00 0.00 C ATOM 1054 CG LYS A 69 -6.972 1.896 -8.035 1.00 0.00 C ATOM 1055 CD LYS A 69 -8.238 2.427 -8.679 1.00 0.00 C ATOM 1056 CE LYS A 69 -8.003 2.845 -10.121 1.00 0.00 C ATOM 1057 NZ LYS A 69 -7.095 4.021 -10.218 1.00 0.00 N ATOM 0 H LYS A 69 -8.115 -0.226 -7.380 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.006 0.193 -10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.664 0.212 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.802 1.140 -9.655 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.193 1.570 -7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.240 2.700 -7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.013 1.661 -8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.606 3.280 -8.108 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.576 2.010 -10.676 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.958 3.084 -10.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.014 4.316 -11.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.481 4.805 -9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.155 3.764 -9.856 1.00 0.00 H new ATOM 1071 N PHE A 70 -5.901 -2.102 -9.029 1.00 0.00 N ATOM 1072 CA PHE A 70 -5.098 -3.253 -9.384 1.00 0.00 C ATOM 1073 C PHE A 70 -5.981 -4.436 -9.798 1.00 0.00 C ATOM 1074 O PHE A 70 -5.725 -5.083 -10.813 1.00 0.00 O ATOM 1075 CB PHE A 70 -4.171 -3.573 -8.192 1.00 0.00 C ATOM 1076 CG PHE A 70 -4.165 -5.005 -7.715 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -3.596 -6.007 -8.482 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -4.733 -5.338 -6.494 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -3.592 -7.317 -8.039 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -4.733 -6.644 -6.047 1.00 0.00 C ATOM 1081 CZ PHE A 70 -4.161 -7.636 -6.821 1.00 0.00 C ATOM 0 H PHE A 70 -5.845 -1.845 -8.043 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.480 -3.039 -10.256 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.152 -3.300 -8.468 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.457 -2.935 -7.356 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.151 -5.763 -9.435 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.181 -4.566 -5.886 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.144 -8.091 -8.645 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.179 -6.890 -5.095 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.159 -8.659 -6.474 1.00 0.00 H new ATOM 1091 N GLN A 71 -7.016 -4.713 -9.011 1.00 0.00 N ATOM 1092 CA GLN A 71 -7.921 -5.818 -9.313 1.00 0.00 C ATOM 1093 C GLN A 71 -9.025 -5.387 -10.278 1.00 0.00 C ATOM 1094 O GLN A 71 -9.021 -5.779 -11.445 1.00 0.00 O ATOM 1095 CB GLN A 71 -8.547 -6.388 -8.040 1.00 0.00 C ATOM 1096 CG GLN A 71 -9.290 -7.694 -8.280 1.00 0.00 C ATOM 1097 CD GLN A 71 -9.961 -8.243 -7.036 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -10.540 -7.367 -6.223 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -9.980 -9.455 -6.818 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.248 -4.192 -8.165 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.324 -6.595 -9.789 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.765 -6.551 -7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.236 -5.655 -7.620 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.044 -7.538 -9.052 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.590 -8.436 -8.664 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.524 -10.097 -7.466 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.452 -9.817 -5.989 1.00 0.00 H new ATOM 1108 N SER A 72 -9.965 -4.583 -9.750 1.00 0.00 N ATOM 1109 CA SER A 72 -11.135 -4.056 -10.485 1.00 0.00 C ATOM 1110 C SER A 72 -12.425 -4.668 -9.953 1.00 0.00 C ATOM 1111 O SER A 72 -13.470 -4.590 -10.599 1.00 0.00 O ATOM 1112 CB SER A 72 -11.045 -4.269 -11.998 1.00 0.00 C ATOM 1113 OG SER A 72 -12.151 -3.684 -12.664 1.00 0.00 O ATOM 0 H SER A 72 -9.934 -4.273 -8.779 1.00 0.00 H new ATOM 0 HA SER A 72 -11.139 -2.979 -10.314 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.119 -3.835 -12.375 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.009 -5.336 -12.216 1.00 0.00 H new ATOM 0 HG SER A 72 -12.975 -3.895 -12.177 1.00 0.00 H new ATOM 1119 N ASP A 73 -12.351 -5.274 -8.770 1.00 0.00 N ATOM 1120 CA ASP A 73 -13.519 -5.902 -8.174 1.00 0.00 C ATOM 1121 C ASP A 73 -13.345 -6.096 -6.671 1.00 0.00 C ATOM 1122 O ASP A 73 -13.978 -6.974 -6.083 1.00 0.00 O ATOM 1123 CB ASP A 73 -13.793 -7.247 -8.847 1.00 0.00 C ATOM 1124 CG ASP A 73 -15.067 -7.899 -8.346 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -16.149 -7.574 -8.880 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -14.984 -8.732 -7.420 1.00 0.00 O ATOM 0 H ASP A 73 -11.500 -5.341 -8.212 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.370 -5.239 -8.330 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.863 -7.102 -9.925 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.952 -7.917 -8.669 1.00 0.00 H new ATOM 1131 N ALA A 74 -12.495 -5.287 -6.037 1.00 0.00 N ATOM 1132 CA ALA A 74 -12.269 -5.411 -4.617 1.00 0.00 C ATOM 1133 C ALA A 74 -13.539 -5.203 -3.815 1.00 0.00 C ATOM 1134 O ALA A 74 -14.518 -4.639 -4.305 1.00 0.00 O ATOM 1135 CB ALA A 74 -11.245 -4.399 -4.186 1.00 0.00 C ATOM 0 H ALA A 74 -11.960 -4.547 -6.491 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.915 -6.424 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.072 -4.490 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.312 -4.576 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.608 -3.396 -4.411 1.00 0.00 H new ATOM 1141 N ARG A 75 -13.506 -5.667 -2.578 1.00 0.00 N ATOM 1142 CA ARG A 75 -14.622 -5.485 -1.670 1.00 0.00 C ATOM 1143 C ARG A 75 -14.423 -4.197 -0.864 1.00 0.00 C ATOM 1144 O ARG A 75 -15.269 -3.830 -0.052 1.00 0.00 O ATOM 1145 CB ARG A 75 -14.771 -6.689 -0.728 1.00 0.00 C ATOM 1146 CG ARG A 75 -13.458 -7.223 -0.166 1.00 0.00 C ATOM 1147 CD ARG A 75 -12.719 -6.173 0.649 1.00 0.00 C ATOM 1148 NE ARG A 75 -11.486 -6.696 1.231 1.00 0.00 N ATOM 1149 CZ ARG A 75 -11.458 -7.564 2.237 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -12.592 -8.016 2.757 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -10.298 -7.985 2.721 1.00 0.00 N ATOM 0 H ARG A 75 -12.716 -6.174 -2.180 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.538 -5.406 -2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.418 -6.406 0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.275 -7.493 -1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.658 -8.093 0.460 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.823 -7.559 -0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.485 -5.319 0.013 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.369 -5.809 1.445 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.598 -6.378 0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.487 -7.697 2.385 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.569 -8.682 3.529 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.424 -7.643 2.321 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.279 -8.651 3.493 1.00 0.00 H new ATOM 1165 N GLU A 76 -13.276 -3.531 -1.102 1.00 0.00 N ATOM 1166 CA GLU A 76 -12.903 -2.289 -0.436 1.00 0.00 C ATOM 1167 C GLU A 76 -12.104 -2.584 0.814 1.00 0.00 C ATOM 1168 O GLU A 76 -12.307 -3.602 1.475 1.00 0.00 O ATOM 1169 CB GLU A 76 -14.114 -1.420 -0.102 1.00 0.00 C ATOM 1170 CG GLU A 76 -14.978 -1.147 -1.310 1.00 0.00 C ATOM 1171 CD GLU A 76 -16.279 -0.450 -0.963 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -16.293 0.798 -0.928 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -17.284 -1.153 -0.725 1.00 0.00 O ATOM 0 H GLU A 76 -12.580 -3.854 -1.774 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.286 -1.722 -1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.712 -1.914 0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.774 -0.474 0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.421 -0.533 -2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.200 -2.089 -1.812 1.00 0.00 H new ATOM 1180 N LEU A 77 -11.194 -1.683 1.127 1.00 0.00 N ATOM 1181 CA LEU A 77 -10.334 -1.813 2.305 1.00 0.00 C ATOM 1182 C LEU A 77 -11.064 -1.523 3.625 1.00 0.00 C ATOM 1183 O LEU A 77 -10.420 -1.193 4.618 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.128 -0.882 2.173 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.011 -1.365 1.257 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -6.889 -0.345 1.232 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -7.488 -2.714 1.722 1.00 0.00 C ATOM 0 H LEU A 77 -11.024 -0.840 0.579 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.012 -2.854 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.478 0.084 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.711 -0.717 3.166 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.408 -1.480 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.093 -0.696 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.271 0.607 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.496 -0.212 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.691 -3.044 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.100 -2.624 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.298 -3.443 1.707 1.00 0.00 H new ATOM 1199 N THR A 78 -12.387 -1.684 3.640 1.00 0.00 N ATOM 1200 CA THR A 78 -13.205 -1.434 4.819 1.00 0.00 C ATOM 1201 C THR A 78 -12.738 -0.227 5.625 1.00 0.00 C ATOM 1202 O THR A 78 -11.863 0.533 5.211 1.00 0.00 O ATOM 1203 CB THR A 78 -13.233 -2.664 5.746 1.00 0.00 C ATOM 1204 OG1 THR A 78 -11.954 -2.839 6.366 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.597 -3.922 4.971 1.00 0.00 C ATOM 0 H THR A 78 -12.921 -1.993 2.828 1.00 0.00 H new ATOM 0 HA THR A 78 -14.206 -1.224 4.441 1.00 0.00 H new ATOM 0 HB THR A 78 -13.991 -2.494 6.511 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.022 -3.517 7.070 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.610 -4.776 5.648 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.583 -3.800 4.522 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.860 -4.092 4.187 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.394 -0.023 6.747 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.042 1.038 7.647 1.00 0.00 C ATOM 1215 C GLU A 79 -11.657 0.766 8.222 1.00 0.00 C ATOM 1216 O GLU A 79 -10.802 1.648 8.300 1.00 0.00 O ATOM 1217 CB GLU A 79 -14.072 1.112 8.766 1.00 0.00 C ATOM 1218 CG GLU A 79 -13.922 2.338 9.628 1.00 0.00 C ATOM 1219 CD GLU A 79 -14.863 2.342 10.817 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -14.492 1.779 11.868 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -15.971 2.906 10.695 1.00 0.00 O ATOM 0 H GLU A 79 -14.184 -0.590 7.055 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.028 1.990 7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.072 1.100 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.985 0.223 9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.894 2.402 9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.105 3.226 9.023 1.00 0.00 H new ATOM 1228 N SER A 80 -11.466 -0.491 8.620 1.00 0.00 N ATOM 1229 CA SER A 80 -10.231 -0.956 9.238 1.00 0.00 C ATOM 1230 C SER A 80 -9.034 -1.065 8.288 1.00 0.00 C ATOM 1231 O SER A 80 -7.988 -0.474 8.553 1.00 0.00 O ATOM 1232 CB SER A 80 -10.470 -2.306 9.906 1.00 0.00 C ATOM 1233 OG SER A 80 -9.359 -2.684 10.696 1.00 0.00 O ATOM 0 H SER A 80 -12.173 -1.220 8.520 1.00 0.00 H new ATOM 0 HA SER A 80 -9.963 -0.190 9.966 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.363 -2.255 10.529 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.655 -3.065 9.145 1.00 0.00 H new ATOM 0 HG SER A 80 -9.591 -2.606 11.645 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.166 -1.809 7.183 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.037 -2.016 6.280 1.00 0.00 C ATOM 1241 C GLU A 81 -7.434 -0.713 5.770 1.00 0.00 C ATOM 1242 O GLU A 81 -6.212 -0.572 5.752 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.448 -2.893 5.094 1.00 0.00 C ATOM 1244 CG GLU A 81 -7.495 -4.050 4.834 1.00 0.00 C ATOM 1245 CD GLU A 81 -6.035 -3.637 4.886 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.508 -3.463 6.004 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.415 -3.500 3.812 1.00 0.00 O ATOM 0 H GLU A 81 -10.031 -2.270 6.899 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.268 -2.521 6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.447 -3.290 5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.508 -2.274 4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.672 -4.833 5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.711 -4.479 3.856 1.00 0.00 H new ATOM 1254 N THR A 82 -8.258 0.243 5.354 1.00 0.00 N ATOM 1255 CA THR A 82 -7.720 1.502 4.871 1.00 0.00 C ATOM 1256 C THR A 82 -6.826 2.132 5.930 1.00 0.00 C ATOM 1257 O THR A 82 -5.975 2.965 5.618 1.00 0.00 O ATOM 1258 CB THR A 82 -8.817 2.499 4.488 1.00 0.00 C ATOM 1259 OG1 THR A 82 -9.598 2.843 5.638 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.715 1.926 3.406 1.00 0.00 C ATOM 0 H THR A 82 -9.275 0.171 5.342 1.00 0.00 H new ATOM 0 HA THR A 82 -7.144 1.274 3.974 1.00 0.00 H new ATOM 0 HB THR A 82 -8.338 3.398 4.100 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.369 2.242 5.701 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.486 2.653 3.151 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.120 1.702 2.520 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.184 1.011 3.769 1.00 0.00 H new ATOM 1268 N LYS A 83 -7.021 1.733 7.189 1.00 0.00 N ATOM 1269 CA LYS A 83 -6.193 2.244 8.265 1.00 0.00 C ATOM 1270 C LYS A 83 -4.743 1.910 7.946 1.00 0.00 C ATOM 1271 O LYS A 83 -3.826 2.653 8.285 1.00 0.00 O ATOM 1272 CB LYS A 83 -6.603 1.636 9.608 1.00 0.00 C ATOM 1273 CG LYS A 83 -5.923 2.288 10.801 1.00 0.00 C ATOM 1274 CD LYS A 83 -6.486 1.771 12.116 1.00 0.00 C ATOM 1275 CE LYS A 83 -5.915 2.532 13.302 1.00 0.00 C ATOM 1276 NZ LYS A 83 -6.475 2.048 14.594 1.00 0.00 N ATOM 0 H LYS A 83 -7.737 1.067 7.478 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.320 3.323 8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.683 1.724 9.723 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.368 0.572 9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.851 2.093 10.761 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.052 3.369 10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.572 1.865 12.110 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.258 0.710 12.219 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.830 2.425 13.314 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.129 3.595 13.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.061 2.592 15.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.507 2.173 14.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.249 1.040 14.715 1.00 0.00 H new ATOM 1290 N SER A 84 -4.558 0.760 7.299 1.00 0.00 N ATOM 1291 CA SER A 84 -3.259 0.301 6.882 1.00 0.00 C ATOM 1292 C SER A 84 -2.633 1.292 5.911 1.00 0.00 C ATOM 1293 O SER A 84 -1.524 1.780 6.129 1.00 0.00 O ATOM 1294 CB SER A 84 -3.424 -1.062 6.234 1.00 0.00 C ATOM 1295 OG SER A 84 -3.966 -1.994 7.152 1.00 0.00 O ATOM 0 H SER A 84 -5.318 0.126 7.054 1.00 0.00 H new ATOM 0 HA SER A 84 -2.594 0.221 7.742 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.077 -0.980 5.365 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.458 -1.418 5.875 1.00 0.00 H new ATOM 0 HG SER A 84 -3.261 -2.305 7.757 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.358 1.581 4.836 1.00 0.00 N ATOM 1302 CA LEU A 85 -2.912 2.535 3.843 1.00 0.00 C ATOM 1303 C LEU A 85 -2.750 3.913 4.486 1.00 0.00 C ATOM 1304 O LEU A 85 -1.795 4.638 4.213 1.00 0.00 O ATOM 1305 CB LEU A 85 -3.934 2.564 2.708 1.00 0.00 C ATOM 1306 CG LEU A 85 -3.904 1.345 1.781 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -4.695 1.612 0.512 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -2.475 0.954 1.441 1.00 0.00 C ATOM 0 H LEU A 85 -4.265 1.160 4.634 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.942 2.245 3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.931 2.650 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.767 3.460 2.111 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.370 0.513 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.659 0.732 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.731 1.832 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.263 2.463 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.482 0.086 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.980 1.786 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.937 0.709 2.357 1.00 0.00 H new ATOM 1320 N MET A 86 -3.704 4.251 5.344 1.00 0.00 N ATOM 1321 CA MET A 86 -3.676 5.508 6.083 1.00 0.00 C ATOM 1322 C MET A 86 -2.416 5.552 6.941 1.00 0.00 C ATOM 1323 O MET A 86 -1.674 6.533 6.946 1.00 0.00 O ATOM 1324 CB MET A 86 -4.915 5.624 6.969 1.00 0.00 C ATOM 1325 CG MET A 86 -6.213 5.710 6.187 1.00 0.00 C ATOM 1326 SD MET A 86 -6.850 7.392 6.104 1.00 0.00 S ATOM 1327 CE MET A 86 -5.493 8.219 5.282 1.00 0.00 C ATOM 0 H MET A 86 -4.515 3.666 5.547 1.00 0.00 H new ATOM 0 HA MET A 86 -3.672 6.343 5.382 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.958 4.762 7.635 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.820 6.509 7.599 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.051 5.335 5.176 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.958 5.064 6.652 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.800 9.225 4.996 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.640 8.278 5.958 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.212 7.659 4.390 1.00 0.00 H new ATOM 1337 N ASP A 87 -2.196 4.457 7.666 1.00 0.00 N ATOM 1338 CA ASP A 87 -1.026 4.286 8.525 1.00 0.00 C ATOM 1339 C ASP A 87 0.254 4.080 7.705 1.00 0.00 C ATOM 1340 O ASP A 87 1.347 3.984 8.263 1.00 0.00 O ATOM 1341 CB ASP A 87 -1.234 3.086 9.438 1.00 0.00 C ATOM 1342 CG ASP A 87 -2.362 3.297 10.429 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -3.264 4.111 10.137 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -2.344 2.649 11.496 1.00 0.00 O ATOM 0 H ASP A 87 -2.829 3.658 7.674 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.910 5.195 9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.448 2.206 8.832 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.311 2.883 9.981 1.00 0.00 H new ATOM 1349 N ALA A 88 0.111 4.011 6.384 1.00 0.00 N ATOM 1350 CA ALA A 88 1.237 3.787 5.493 1.00 0.00 C ATOM 1351 C ALA A 88 2.143 5.006 5.369 1.00 0.00 C ATOM 1352 O ALA A 88 3.340 4.868 5.115 1.00 0.00 O ATOM 1353 CB ALA A 88 0.724 3.384 4.128 1.00 0.00 C ATOM 0 H ALA A 88 -0.785 4.109 5.907 1.00 0.00 H new ATOM 0 HA ALA A 88 1.840 2.988 5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.567 3.215 3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.140 2.468 4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.095 4.178 3.727 1.00 0.00 H new ATOM 1359 N ALA A 89 1.583 6.201 5.536 1.00 0.00 N ATOM 1360 CA ALA A 89 2.377 7.419 5.410 1.00 0.00 C ATOM 1361 C ALA A 89 1.751 8.596 6.152 1.00 0.00 C ATOM 1362 O ALA A 89 2.274 9.053 7.169 1.00 0.00 O ATOM 1363 CB ALA A 89 2.546 7.771 3.934 1.00 0.00 C ATOM 0 H ALA A 89 0.598 6.351 5.755 1.00 0.00 H new ATOM 0 HA ALA A 89 3.349 7.226 5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.139 8.681 3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.053 6.954 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.566 7.930 3.483 1.00 0.00 H new ATOM 1369 N ASP A 90 0.632 9.080 5.633 1.00 0.00 N ATOM 1370 CA ASP A 90 -0.089 10.219 6.188 1.00 0.00 C ATOM 1371 C ASP A 90 -0.695 10.005 7.578 1.00 0.00 C ATOM 1372 O ASP A 90 -1.855 10.348 7.812 1.00 0.00 O ATOM 1373 CB ASP A 90 -1.210 10.525 5.237 1.00 0.00 C ATOM 1374 CG ASP A 90 -2.087 9.309 5.002 1.00 0.00 C ATOM 1375 OD1 ASP A 90 -2.426 8.626 5.990 1.00 0.00 O ATOM 1376 OD2 ASP A 90 -2.446 9.045 3.837 1.00 0.00 O ATOM 0 H ASP A 90 0.192 8.687 4.801 1.00 0.00 H new ATOM 0 HA ASP A 90 0.637 11.023 6.307 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.815 11.340 5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.800 10.868 4.287 1.00 0.00 H new ATOM 1381 N ASN A 91 0.070 9.452 8.488 1.00 0.00 N ATOM 1382 CA ASN A 91 -0.388 9.235 9.852 1.00 0.00 C ATOM 1383 C ASN A 91 -0.099 10.496 10.642 1.00 0.00 C ATOM 1384 O ASN A 91 -0.925 10.980 11.415 1.00 0.00 O ATOM 1385 CB ASN A 91 0.312 8.022 10.502 1.00 0.00 C ATOM 1386 CG ASN A 91 1.025 7.130 9.526 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.397 6.886 8.404 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 2.128 6.652 9.790 1.00 0.00 N flip ATOM 0 H ASN A 91 1.025 9.139 8.312 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.456 9.017 9.847 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.029 8.382 11.240 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.431 7.433 11.041 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.579 6.871 10.678 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.591 6.037 9.121 1.00 0.00 H new ATOM 1395 N ASP A 92 1.104 11.015 10.425 1.00 0.00 N ATOM 1396 CA ASP A 92 1.549 12.248 11.056 1.00 0.00 C ATOM 1397 C ASP A 92 1.536 13.384 10.032 1.00 0.00 C ATOM 1398 O ASP A 92 2.259 14.371 10.169 1.00 0.00 O ATOM 1399 CB ASP A 92 2.954 12.073 11.638 1.00 0.00 C ATOM 1400 CG ASP A 92 3.463 13.331 12.314 1.00 0.00 C ATOM 1401 OD1 ASP A 92 3.072 13.581 13.474 1.00 0.00 O ATOM 1402 OD2 ASP A 92 4.252 14.066 11.683 1.00 0.00 O ATOM 0 H ASP A 92 1.796 10.592 9.807 1.00 0.00 H new ATOM 0 HA ASP A 92 0.869 12.495 11.871 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.946 11.255 12.358 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.641 11.789 10.841 1.00 0.00 H new ATOM 1407 N GLY A 93 0.703 13.227 9.003 1.00 0.00 N ATOM 1408 CA GLY A 93 0.602 14.229 7.958 1.00 0.00 C ATOM 1409 C GLY A 93 -0.823 14.712 7.781 1.00 0.00 C ATOM 1410 O GLY A 93 -1.347 15.432 8.631 1.00 0.00 O ATOM 0 H GLY A 93 0.094 12.418 8.877 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.245 15.075 8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.965 13.813 7.018 1.00 0.00 H new ATOM 1414 N ASP A 94 -1.461 14.320 6.679 1.00 0.00 N ATOM 1415 CA ASP A 94 -2.835 14.722 6.434 1.00 0.00 C ATOM 1416 C ASP A 94 -3.625 13.656 5.675 1.00 0.00 C ATOM 1417 O ASP A 94 -4.297 13.948 4.686 1.00 0.00 O ATOM 1418 CB ASP A 94 -2.850 16.029 5.649 1.00 0.00 C ATOM 1419 CG ASP A 94 -2.613 17.237 6.533 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -3.603 17.799 7.049 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -1.439 17.623 6.708 1.00 0.00 O ATOM 0 H ASP A 94 -1.051 13.732 5.953 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.317 14.856 7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.084 15.993 4.874 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.810 16.135 5.143 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.533 12.417 6.150 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.281 11.318 5.557 1.00 0.00 C ATOM 1428 C GLY A 95 -4.112 11.115 4.054 1.00 0.00 C ATOM 1429 O GLY A 95 -4.967 10.486 3.431 1.00 0.00 O ATOM 0 H GLY A 95 -2.948 12.151 6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.991 10.396 6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.340 11.475 5.764 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.039 11.626 3.444 1.00 0.00 N ATOM 1434 CA LYS A 96 -2.839 11.404 2.019 1.00 0.00 C ATOM 1435 C LYS A 96 -1.642 10.484 1.760 1.00 0.00 C ATOM 1436 O LYS A 96 -0.552 10.688 2.284 1.00 0.00 O ATOM 1437 CB LYS A 96 -2.697 12.744 1.281 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.753 12.747 0.083 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.293 12.831 0.506 1.00 0.00 C ATOM 1440 CE LYS A 96 0.542 13.563 -0.532 1.00 0.00 C ATOM 1441 NZ LYS A 96 1.925 13.823 -0.047 1.00 0.00 N ATOM 0 H LYS A 96 -2.317 12.181 3.903 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.720 10.897 1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.685 13.056 0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.352 13.494 1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.909 11.841 -0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.992 13.591 -0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.219 13.346 1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.104 11.826 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.583 12.973 -1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.062 14.508 -0.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.338 14.613 -0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.898 14.066 0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.507 12.972 -0.183 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.858 9.484 0.925 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.806 8.543 0.589 1.00 0.00 C ATOM 1457 C ILE A 97 -0.355 8.752 -0.851 1.00 0.00 C ATOM 1458 O ILE A 97 -1.018 8.313 -1.780 1.00 0.00 O ATOM 1459 CB ILE A 97 -1.263 7.070 0.732 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.679 6.742 2.158 1.00 0.00 C ATOM 1461 CG2 ILE A 97 -0.156 6.131 0.294 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.671 7.172 3.192 1.00 0.00 C ATOM 0 H ILE A 97 -2.752 9.303 0.468 1.00 0.00 H new ATOM 0 HA ILE A 97 0.009 8.729 1.288 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.133 6.936 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.633 7.224 2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -1.839 5.667 2.243 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.491 5.099 0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.095 6.326 -0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.725 6.292 0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.033 6.907 4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.278 6.670 3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.528 8.251 3.134 1.00 0.00 H new ATOM 1474 N GLY A 98 0.757 9.441 -1.023 1.00 0.00 N ATOM 1475 CA GLY A 98 1.318 9.659 -2.332 1.00 0.00 C ATOM 1476 C GLY A 98 2.689 9.037 -2.432 1.00 0.00 C ATOM 1477 O GLY A 98 3.254 8.618 -1.428 1.00 0.00 O ATOM 0 H GLY A 98 1.290 9.861 -0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.662 9.231 -3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.382 10.728 -2.533 1.00 0.00 H new ATOM 1481 N ALA A 99 3.228 8.965 -3.635 1.00 0.00 N ATOM 1482 CA ALA A 99 4.542 8.369 -3.814 1.00 0.00 C ATOM 1483 C ALA A 99 5.550 9.024 -2.873 1.00 0.00 C ATOM 1484 O ALA A 99 6.317 8.342 -2.196 1.00 0.00 O ATOM 1485 CB ALA A 99 4.992 8.489 -5.258 1.00 0.00 C ATOM 0 H ALA A 99 2.787 9.305 -4.490 1.00 0.00 H new ATOM 0 HA ALA A 99 4.481 7.309 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.977 8.037 -5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.281 7.975 -5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.041 9.541 -5.537 1.00 0.00 H new ATOM 1491 N ASP A 100 5.526 10.351 -2.825 1.00 0.00 N ATOM 1492 CA ASP A 100 6.425 11.095 -1.953 1.00 0.00 C ATOM 1493 C ASP A 100 6.160 10.746 -0.491 1.00 0.00 C ATOM 1494 O ASP A 100 7.086 10.434 0.257 1.00 0.00 O ATOM 1495 CB ASP A 100 6.273 12.603 -2.179 1.00 0.00 C ATOM 1496 CG ASP A 100 4.937 13.144 -1.708 1.00 0.00 C ATOM 1497 OD1 ASP A 100 3.958 13.058 -2.478 1.00 0.00 O ATOM 1498 OD2 ASP A 100 4.871 13.652 -0.569 1.00 0.00 O ATOM 0 H ASP A 100 4.896 10.932 -3.378 1.00 0.00 H new ATOM 0 HA ASP A 100 7.449 10.813 -2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.074 13.125 -1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.392 12.819 -3.241 1.00 0.00 H new ATOM 1503 N GLU A 101 4.893 10.799 -0.088 1.00 0.00 N ATOM 1504 CA GLU A 101 4.519 10.464 1.281 1.00 0.00 C ATOM 1505 C GLU A 101 4.925 9.031 1.581 1.00 0.00 C ATOM 1506 O GLU A 101 5.641 8.756 2.544 1.00 0.00 O ATOM 1507 CB GLU A 101 3.013 10.622 1.482 1.00 0.00 C ATOM 1508 CG GLU A 101 2.648 11.559 2.620 1.00 0.00 C ATOM 1509 CD GLU A 101 3.533 11.390 3.843 1.00 0.00 C ATOM 1510 OE1 GLU A 101 4.598 12.041 3.899 1.00 0.00 O ATOM 1511 OE2 GLU A 101 3.160 10.608 4.742 1.00 0.00 O ATOM 0 H GLU A 101 4.113 11.069 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 101 5.034 11.143 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.568 10.994 0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.575 9.642 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.716 12.589 2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 101 1.610 11.387 2.904 1.00 0.00 H new ATOM 1518 N PHE A 102 4.456 8.124 0.738 1.00 0.00 N ATOM 1519 CA PHE A 102 4.768 6.715 0.867 1.00 0.00 C ATOM 1520 C PHE A 102 6.277 6.495 0.890 1.00 0.00 C ATOM 1521 O PHE A 102 6.795 5.767 1.738 1.00 0.00 O ATOM 1522 CB PHE A 102 4.129 5.935 -0.272 1.00 0.00 C ATOM 1523 CG PHE A 102 4.334 4.464 -0.125 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.583 3.912 -0.322 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.285 3.636 0.240 1.00 0.00 C ATOM 1526 CE1 PHE A 102 5.786 2.561 -0.164 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.482 2.279 0.397 1.00 0.00 C ATOM 1528 CZ PHE A 102 4.738 1.743 0.195 1.00 0.00 C ATOM 0 H PHE A 102 3.850 8.346 -0.052 1.00 0.00 H new ATOM 0 HA PHE A 102 4.362 6.353 1.811 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.061 6.151 -0.305 1.00 0.00 H new ATOM 0 HB3 PHE A 102 4.551 6.267 -1.221 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.410 4.547 -0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.304 4.056 0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.768 2.141 -0.322 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.658 1.640 0.676 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.899 0.682 0.319 1.00 0.00 H new ATOM 1538 N GLN A 103 6.979 7.128 -0.046 1.00 0.00 N ATOM 1539 CA GLN A 103 8.430 7.010 -0.126 1.00 0.00 C ATOM 1540 C GLN A 103 9.086 7.431 1.182 1.00 0.00 C ATOM 1541 O GLN A 103 10.128 6.898 1.567 1.00 0.00 O ATOM 1542 CB GLN A 103 8.966 7.852 -1.276 1.00 0.00 C ATOM 1543 CG GLN A 103 8.701 7.233 -2.621 1.00 0.00 C ATOM 1544 CD GLN A 103 9.763 6.234 -3.014 1.00 0.00 C ATOM 1545 OE1 GLN A 103 10.457 5.681 -2.161 1.00 0.00 O ATOM 1546 NE2 GLN A 103 9.886 5.989 -4.310 1.00 0.00 N ATOM 0 H GLN A 103 6.565 7.728 -0.760 1.00 0.00 H new ATOM 0 HA GLN A 103 8.674 5.963 -0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 103 8.510 8.841 -1.240 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.040 7.991 -1.150 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.729 6.739 -2.606 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.648 8.018 -3.375 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.287 6.473 -4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.579 5.317 -4.638 1.00 0.00 H new ATOM 1555 N GLU A 104 8.469 8.390 1.859 1.00 0.00 N ATOM 1556 CA GLU A 104 8.994 8.888 3.123 1.00 0.00 C ATOM 1557 C GLU A 104 9.031 7.770 4.162 1.00 0.00 C ATOM 1558 O GLU A 104 9.953 7.683 4.974 1.00 0.00 O ATOM 1559 CB GLU A 104 8.158 10.090 3.594 1.00 0.00 C ATOM 1560 CG GLU A 104 7.114 9.772 4.644 1.00 0.00 C ATOM 1561 CD GLU A 104 7.662 9.848 6.055 1.00 0.00 C ATOM 1562 OE1 GLU A 104 7.623 10.946 6.649 1.00 0.00 O ATOM 1563 OE2 GLU A 104 8.129 8.809 6.567 1.00 0.00 O ATOM 0 H GLU A 104 7.605 8.838 1.554 1.00 0.00 H new ATOM 0 HA GLU A 104 10.020 9.229 2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.832 10.849 3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.660 10.528 2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.281 10.467 4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.718 8.772 4.466 1.00 0.00 H new ATOM 1570 N MET A 105 8.015 6.920 4.122 1.00 0.00 N ATOM 1571 CA MET A 105 7.907 5.803 5.054 1.00 0.00 C ATOM 1572 C MET A 105 9.074 4.828 4.906 1.00 0.00 C ATOM 1573 O MET A 105 9.748 4.507 5.884 1.00 0.00 O ATOM 1574 CB MET A 105 6.585 5.070 4.853 1.00 0.00 C ATOM 1575 CG MET A 105 5.976 4.571 6.151 1.00 0.00 C ATOM 1576 SD MET A 105 7.142 3.622 7.146 1.00 0.00 S ATOM 1577 CE MET A 105 7.508 2.267 6.035 1.00 0.00 C ATOM 0 H MET A 105 7.249 6.982 3.451 1.00 0.00 H new ATOM 0 HA MET A 105 7.941 6.214 6.063 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.878 5.737 4.360 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.744 4.224 4.184 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.618 5.422 6.731 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.108 3.951 5.926 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.378 1.321 6.560 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.832 2.304 5.181 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.538 2.350 5.687 1.00 0.00 H new ATOM 1587 N VAL A 106 9.313 4.350 3.685 1.00 0.00 N ATOM 1588 CA VAL A 106 10.399 3.411 3.436 1.00 0.00 C ATOM 1589 C VAL A 106 11.746 4.034 3.776 1.00 0.00 C ATOM 1590 O VAL A 106 12.681 3.339 4.179 1.00 0.00 O ATOM 1591 CB VAL A 106 10.423 2.951 1.964 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.514 4.147 1.037 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.572 1.975 1.714 1.00 0.00 C ATOM 0 H VAL A 106 8.770 4.598 2.858 1.00 0.00 H new ATOM 0 HA VAL A 106 10.222 2.547 4.077 1.00 0.00 H new ATOM 0 HB VAL A 106 9.491 2.426 1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.530 3.805 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.651 4.794 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.427 4.703 1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.566 1.666 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.520 2.462 1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.451 1.099 2.352 1.00 0.00 H new ATOM 1603 N HIS A 107 11.836 5.347 3.613 1.00 0.00 N ATOM 1604 CA HIS A 107 13.068 6.071 3.900 1.00 0.00 C ATOM 1605 C HIS A 107 13.205 6.345 5.394 1.00 0.00 C ATOM 1606 O HIS A 107 14.307 6.318 5.941 1.00 0.00 O ATOM 1607 CB HIS A 107 13.099 7.387 3.122 1.00 0.00 C ATOM 1608 CG HIS A 107 14.400 8.118 3.238 1.00 0.00 C ATOM 1609 ND1 HIS A 107 15.013 8.669 4.312 1.00 0.00 N flip ATOM 1610 CD2 HIS A 107 15.230 8.353 2.162 1.00 0.00 C flip ATOM 1611 CE1 HIS A 107 16.190 9.221 3.869 1.00 0.00 C flip ATOM 1612 NE2 HIS A 107 16.298 9.016 2.569 1.00 0.00 N flip ATOM 0 H HIS A 107 11.070 5.934 3.283 1.00 0.00 H new ATOM 0 HA HIS A 107 13.908 5.450 3.587 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.898 7.183 2.070 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.296 8.031 3.481 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.037 8.043 1.145 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.911 9.739 4.484 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.074 9.318 1.979 1.00 0.00 H new ATOM 1621 N SER A 108 12.078 6.605 6.048 1.00 0.00 N ATOM 1622 CA SER A 108 12.073 6.887 7.480 1.00 0.00 C ATOM 1623 C SER A 108 12.707 5.743 8.263 1.00 0.00 C ATOM 1624 O SER A 108 13.927 5.810 8.526 1.00 0.00 O ATOM 1625 CB SER A 108 10.646 7.126 7.970 1.00 0.00 C ATOM 1626 OG SER A 108 9.848 5.967 7.812 1.00 0.00 O ATOM 1627 OXT SER A 108 11.980 4.788 8.607 1.00 0.00 O ATOM 0 H SER A 108 11.157 6.626 5.610 1.00 0.00 H new ATOM 0 HA SER A 108 12.662 7.788 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.664 7.418 9.020 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.203 7.954 7.416 1.00 0.00 H new ATOM 0 HG SER A 108 10.092 5.513 6.978 1.00 0.00 H new TER 1633 SER A 108