USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 654 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 34 HIS :FLIP no HE2:sc= -26.2! C(o=-31!,f=-30!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -126:sc= -3.95! (180deg=-4.18!) USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0171 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0444 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0539 X(o=-0.054,f=0) USER MOD Single : A 9 GLN : amide:sc= -1.8! C(o=-1.8!,f=-6.2!) USER MOD Single : A 10 ASN : amide:sc= -0.0685 X(o=-0.068,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 172:sc= -1.68! USER MOD Single : A 17 ASN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.7) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= -2.5! (180deg=-3.29!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.83 F(o=-2.3!,f=-0.83) USER MOD Single : A 39 ASN : amide:sc= -0.384 K(o=-0.38,f=-1.4) USER MOD Single : A 45 LYS NZ :NH3+ -129:sc= -0.523 (180deg=-4.08!) USER MOD Single : A 47 THR OG1 : rot 79:sc= 1.1 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -147:sc= -0.197 (180deg=-0.919) USER MOD Single : A 55 ASN : amide:sc= -2.27! C(o=-2.3!,f=-3.9!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00728 USER MOD Single : A 73 GLN : amide:sc= -1.9! C(o=-1.9!,f=-7!) USER MOD Single : A 80 ASN : amide:sc= -0.215 K(o=-0.21,f=-2.6!) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -2.61 K(o=-2.6,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.910 17.140 -29.348 1.00 0.00 N ATOM 2 CA GLY A 1 27.446 17.344 -29.538 1.00 0.00 C ATOM 3 C GLY A 1 26.667 17.186 -28.247 1.00 0.00 C ATOM 4 O GLY A 1 27.054 16.411 -27.372 1.00 0.00 O ATOM 0 H1 GLY A 1 29.268 16.493 -30.079 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.401 18.054 -29.425 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.084 16.731 -28.408 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.271 18.340 -29.945 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.075 16.629 -30.273 1.00 0.00 H new ATOM 10 N SER A 2 25.567 17.922 -28.129 1.00 0.00 N ATOM 11 CA SER A 2 24.730 17.862 -26.936 1.00 0.00 C ATOM 12 C SER A 2 23.689 16.753 -27.062 1.00 0.00 C ATOM 13 O SER A 2 22.965 16.678 -28.055 1.00 0.00 O ATOM 14 CB SER A 2 24.039 19.208 -26.700 1.00 0.00 C ATOM 15 OG SER A 2 24.408 20.158 -27.685 1.00 0.00 O ATOM 0 H SER A 2 25.234 18.567 -28.845 1.00 0.00 H new ATOM 0 HA SER A 2 25.370 17.641 -26.082 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.958 19.071 -26.712 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.302 19.585 -25.712 1.00 0.00 H new ATOM 0 HG SER A 2 23.950 21.006 -27.509 1.00 0.00 H new ATOM 21 N SER A 3 23.622 15.893 -26.050 1.00 0.00 N ATOM 22 CA SER A 3 22.670 14.789 -26.050 1.00 0.00 C ATOM 23 C SER A 3 22.571 14.153 -24.665 1.00 0.00 C ATOM 24 O SER A 3 23.522 13.531 -24.189 1.00 0.00 O ATOM 25 CB SER A 3 23.077 13.736 -27.082 1.00 0.00 C ATOM 26 OG SER A 3 24.449 13.857 -27.420 1.00 0.00 O ATOM 0 H SER A 3 24.215 15.940 -25.221 1.00 0.00 H new ATOM 0 HA SER A 3 21.691 15.187 -26.316 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.883 12.739 -26.685 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.467 13.846 -27.979 1.00 0.00 H new ATOM 0 HG SER A 3 24.685 13.172 -28.080 1.00 0.00 H new ATOM 32 N LEU A 4 21.415 14.311 -24.029 1.00 0.00 N ATOM 33 CA LEU A 4 21.190 13.750 -22.702 1.00 0.00 C ATOM 34 C LEU A 4 20.561 12.362 -22.793 1.00 0.00 C ATOM 35 O LEU A 4 20.653 11.565 -21.858 1.00 0.00 O ATOM 36 CB LEU A 4 20.296 14.682 -21.879 1.00 0.00 C ATOM 37 CG LEU A 4 20.979 15.328 -20.669 1.00 0.00 C ATOM 38 CD1 LEU A 4 20.660 16.814 -20.601 1.00 0.00 C ATOM 39 CD2 LEU A 4 20.557 14.632 -19.383 1.00 0.00 C ATOM 0 H LEU A 4 20.620 14.823 -24.411 1.00 0.00 H new ATOM 0 HA LEU A 4 22.156 13.653 -22.206 1.00 0.00 H new ATOM 0 HB2 LEU A 4 19.921 15.471 -22.531 1.00 0.00 H new ATOM 0 HB3 LEU A 4 19.431 14.118 -21.531 1.00 0.00 H new ATOM 0 HG LEU A 4 22.057 15.215 -20.785 1.00 0.00 H new ATOM 0 HD11 LEU A 4 21.155 17.253 -19.735 1.00 0.00 H new ATOM 0 HD12 LEU A 4 21.014 17.304 -21.508 1.00 0.00 H new ATOM 0 HD13 LEU A 4 19.582 16.951 -20.511 1.00 0.00 H new ATOM 0 HD21 LEU A 4 21.052 15.104 -18.534 1.00 0.00 H new ATOM 0 HD22 LEU A 4 19.477 14.712 -19.264 1.00 0.00 H new ATOM 0 HD23 LEU A 4 20.840 13.580 -19.429 1.00 0.00 H new ATOM 51 N ALA A 5 19.921 12.075 -23.923 1.00 0.00 N ATOM 52 CA ALA A 5 19.279 10.782 -24.130 1.00 0.00 C ATOM 53 C ALA A 5 20.243 9.790 -24.780 1.00 0.00 C ATOM 54 O ALA A 5 20.853 10.087 -25.806 1.00 0.00 O ATOM 55 CB ALA A 5 18.028 10.947 -24.982 1.00 0.00 C ATOM 0 H ALA A 5 19.834 12.720 -24.708 1.00 0.00 H new ATOM 0 HA ALA A 5 18.991 10.383 -23.157 1.00 0.00 H new ATOM 0 HB1 ALA A 5 17.558 9.975 -25.130 1.00 0.00 H new ATOM 0 HB2 ALA A 5 17.330 11.615 -24.478 1.00 0.00 H new ATOM 0 HB3 ALA A 5 18.300 11.369 -25.949 1.00 0.00 H new ATOM 61 N SER A 6 20.371 8.613 -24.175 1.00 0.00 N ATOM 62 CA SER A 6 21.260 7.579 -24.695 1.00 0.00 C ATOM 63 C SER A 6 20.463 6.404 -25.259 1.00 0.00 C ATOM 64 O SER A 6 20.237 6.319 -26.465 1.00 0.00 O ATOM 65 CB SER A 6 22.216 7.099 -23.597 1.00 0.00 C ATOM 66 OG SER A 6 23.530 7.584 -23.815 1.00 0.00 O ATOM 0 H SER A 6 19.871 8.351 -23.325 1.00 0.00 H new ATOM 0 HA SER A 6 21.845 8.010 -25.507 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.857 7.437 -22.625 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.227 6.009 -23.571 1.00 0.00 H new ATOM 0 HG SER A 6 24.119 7.265 -23.100 1.00 0.00 H new ATOM 72 N GLN A 7 20.040 5.500 -24.379 1.00 0.00 N ATOM 73 CA GLN A 7 19.269 4.333 -24.795 1.00 0.00 C ATOM 74 C GLN A 7 17.806 4.699 -25.023 1.00 0.00 C ATOM 75 O GLN A 7 17.345 5.755 -24.589 1.00 0.00 O ATOM 76 CB GLN A 7 19.368 3.226 -23.742 1.00 0.00 C ATOM 77 CG GLN A 7 20.735 2.564 -23.684 1.00 0.00 C ATOM 78 CD GLN A 7 20.677 1.078 -23.988 1.00 0.00 C ATOM 79 OE1 GLN A 7 21.169 0.255 -23.218 1.00 0.00 O ATOM 80 NE2 GLN A 7 20.074 0.729 -25.119 1.00 0.00 N ATOM 0 H GLN A 7 20.218 5.553 -23.376 1.00 0.00 H new ATOM 0 HA GLN A 7 19.687 3.972 -25.735 1.00 0.00 H new ATOM 0 HB2 GLN A 7 19.134 3.645 -22.763 1.00 0.00 H new ATOM 0 HB3 GLN A 7 18.614 2.467 -23.952 1.00 0.00 H new ATOM 0 HG2 GLN A 7 21.401 3.051 -24.396 1.00 0.00 H new ATOM 0 HG3 GLN A 7 21.165 2.712 -22.693 1.00 0.00 H new ATOM 0 HE21 GLN A 7 19.679 1.445 -25.729 1.00 0.00 H new ATOM 0 HE22 GLN A 7 20.005 -0.255 -25.378 1.00 0.00 H new ATOM 89 N GLY A 8 17.080 3.818 -25.706 1.00 0.00 N ATOM 90 CA GLY A 8 15.677 4.066 -25.978 1.00 0.00 C ATOM 91 C GLY A 8 14.792 3.746 -24.788 1.00 0.00 C ATOM 92 O GLY A 8 15.115 4.102 -23.654 1.00 0.00 O ATOM 0 H GLY A 8 17.439 2.938 -26.075 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.543 5.111 -26.256 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.364 3.466 -26.832 1.00 0.00 H new ATOM 96 N GLN A 9 13.678 3.069 -25.044 1.00 0.00 N ATOM 97 CA GLN A 9 12.748 2.701 -23.983 1.00 0.00 C ATOM 98 C GLN A 9 13.136 1.371 -23.339 1.00 0.00 C ATOM 99 O GLN A 9 12.386 0.825 -22.530 1.00 0.00 O ATOM 100 CB GLN A 9 11.319 2.621 -24.525 1.00 0.00 C ATOM 101 CG GLN A 9 10.729 3.974 -24.895 1.00 0.00 C ATOM 102 CD GLN A 9 10.528 4.881 -23.695 1.00 0.00 C ATOM 103 OE1 GLN A 9 11.410 5.021 -22.847 1.00 0.00 O ATOM 104 NE2 GLN A 9 9.359 5.507 -23.618 1.00 0.00 N ATOM 0 H GLN A 9 13.397 2.764 -25.976 1.00 0.00 H new ATOM 0 HA GLN A 9 12.797 3.477 -23.219 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.309 1.977 -25.405 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.682 2.149 -23.777 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.387 4.468 -25.611 1.00 0.00 H new ATOM 0 HG3 GLN A 9 9.772 3.823 -25.394 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.655 5.363 -24.342 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.165 6.131 -22.835 1.00 0.00 H new ATOM 113 N ASN A 10 14.312 0.857 -23.694 1.00 0.00 N ATOM 114 CA ASN A 10 14.789 -0.400 -23.138 1.00 0.00 C ATOM 115 C ASN A 10 15.120 -0.253 -21.651 1.00 0.00 C ATOM 116 O ASN A 10 15.373 -1.242 -20.962 1.00 0.00 O ATOM 117 CB ASN A 10 16.025 -0.884 -23.905 1.00 0.00 C ATOM 118 CG ASN A 10 15.668 -1.769 -25.083 1.00 0.00 C ATOM 119 OD1 ASN A 10 16.136 -2.902 -25.186 1.00 0.00 O ATOM 120 ND2 ASN A 10 14.837 -1.252 -25.981 1.00 0.00 N ATOM 0 H ASN A 10 14.948 1.293 -24.362 1.00 0.00 H new ATOM 0 HA ASN A 10 13.993 -1.138 -23.240 1.00 0.00 H new ATOM 0 HB2 ASN A 10 16.589 -0.021 -24.260 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.677 -1.434 -23.226 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.563 -1.800 -26.797 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.473 -0.307 -25.855 1.00 0.00 H new ATOM 127 N LEU A 11 15.122 0.987 -21.162 1.00 0.00 N ATOM 128 CA LEU A 11 15.424 1.266 -19.763 1.00 0.00 C ATOM 129 C LEU A 11 14.385 0.644 -18.833 1.00 0.00 C ATOM 130 O LEU A 11 14.731 0.014 -17.834 1.00 0.00 O ATOM 131 CB LEU A 11 15.490 2.776 -19.532 1.00 0.00 C ATOM 132 CG LEU A 11 16.579 3.506 -20.323 1.00 0.00 C ATOM 133 CD1 LEU A 11 16.068 4.845 -20.833 1.00 0.00 C ATOM 134 CD2 LEU A 11 17.820 3.698 -19.463 1.00 0.00 C ATOM 0 H LEU A 11 14.916 1.816 -21.719 1.00 0.00 H new ATOM 0 HA LEU A 11 16.392 0.820 -19.535 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.524 3.210 -19.788 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.650 2.959 -18.469 1.00 0.00 H new ATOM 0 HG LEU A 11 16.847 2.895 -21.185 1.00 0.00 H new ATOM 0 HD11 LEU A 11 16.858 5.347 -21.392 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.209 4.683 -21.484 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.770 5.466 -19.988 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.585 4.218 -20.039 1.00 0.00 H new ATOM 0 HD22 LEU A 11 17.565 4.288 -18.583 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.200 2.725 -19.150 1.00 0.00 H new ATOM 146 N SER A 12 13.111 0.833 -19.160 1.00 0.00 N ATOM 147 CA SER A 12 12.030 0.295 -18.344 1.00 0.00 C ATOM 148 C SER A 12 11.820 -1.190 -18.622 1.00 0.00 C ATOM 149 O SER A 12 11.483 -1.957 -17.721 1.00 0.00 O ATOM 150 CB SER A 12 10.733 1.066 -18.601 1.00 0.00 C ATOM 151 OG SER A 12 10.467 1.977 -17.549 1.00 0.00 O ATOM 0 H SER A 12 12.803 1.353 -19.982 1.00 0.00 H new ATOM 0 HA SER A 12 12.310 0.411 -17.297 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.808 1.606 -19.545 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.903 0.366 -18.699 1.00 0.00 H new ATOM 0 HG SER A 12 9.635 2.459 -17.736 1.00 0.00 H new ATOM 157 N THR A 13 12.025 -1.589 -19.872 1.00 0.00 N ATOM 158 CA THR A 13 11.857 -2.984 -20.262 1.00 0.00 C ATOM 159 C THR A 13 12.961 -3.854 -19.667 1.00 0.00 C ATOM 160 O THR A 13 12.788 -5.060 -19.499 1.00 0.00 O ATOM 161 CB THR A 13 11.850 -3.115 -21.784 1.00 0.00 C ATOM 162 OG1 THR A 13 13.135 -2.848 -22.318 1.00 0.00 O ATOM 163 CG2 THR A 13 10.868 -2.183 -22.461 1.00 0.00 C ATOM 0 H THR A 13 12.307 -0.968 -20.631 1.00 0.00 H new ATOM 0 HA THR A 13 10.899 -3.330 -19.873 1.00 0.00 H new ATOM 0 HB THR A 13 11.547 -4.143 -21.983 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.143 -3.062 -23.274 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.914 -2.328 -23.540 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.859 -2.399 -22.109 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.122 -1.150 -22.222 1.00 0.00 H new ATOM 171 N VAL A 14 14.093 -3.233 -19.343 1.00 0.00 N ATOM 172 CA VAL A 14 15.217 -3.959 -18.763 1.00 0.00 C ATOM 173 C VAL A 14 15.141 -3.952 -17.239 1.00 0.00 C ATOM 174 O VAL A 14 15.523 -4.920 -16.582 1.00 0.00 O ATOM 175 CB VAL A 14 16.572 -3.371 -19.225 1.00 0.00 C ATOM 176 CG1 VAL A 14 16.913 -2.093 -18.470 1.00 0.00 C ATOM 177 CG2 VAL A 14 17.680 -4.400 -19.068 1.00 0.00 C ATOM 0 H VAL A 14 14.255 -2.234 -19.472 1.00 0.00 H new ATOM 0 HA VAL A 14 15.153 -4.988 -19.116 1.00 0.00 H new ATOM 0 HB VAL A 14 16.481 -3.115 -20.281 1.00 0.00 H new ATOM 0 HG11 VAL A 14 17.871 -1.708 -18.820 1.00 0.00 H new ATOM 0 HG12 VAL A 14 16.137 -1.348 -18.646 1.00 0.00 H new ATOM 0 HG13 VAL A 14 16.976 -2.307 -17.403 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.626 -3.970 -19.398 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.760 -4.692 -18.021 1.00 0.00 H new ATOM 0 HG23 VAL A 14 17.450 -5.277 -19.673 1.00 0.00 H new ATOM 187 N LEU A 15 14.641 -2.853 -16.686 1.00 0.00 N ATOM 188 CA LEU A 15 14.506 -2.718 -15.238 1.00 0.00 C ATOM 189 C LEU A 15 13.213 -3.360 -14.738 1.00 0.00 C ATOM 190 O LEU A 15 12.928 -3.349 -13.539 1.00 0.00 O ATOM 191 CB LEU A 15 14.549 -1.243 -14.831 1.00 0.00 C ATOM 192 CG LEU A 15 15.031 -0.980 -13.404 1.00 0.00 C ATOM 193 CD1 LEU A 15 16.540 -0.793 -13.377 1.00 0.00 C ATOM 194 CD2 LEU A 15 14.329 0.235 -12.814 1.00 0.00 C ATOM 0 H LEU A 15 14.322 -2.042 -17.217 1.00 0.00 H new ATOM 0 HA LEU A 15 15.345 -3.239 -14.778 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.201 -0.710 -15.523 1.00 0.00 H new ATOM 0 HB3 LEU A 15 13.550 -0.821 -14.945 1.00 0.00 H new ATOM 0 HG LEU A 15 14.781 -1.847 -12.793 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.865 -0.607 -12.353 1.00 0.00 H new ATOM 0 HD12 LEU A 15 17.025 -1.693 -13.754 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.813 0.056 -14.004 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.687 0.404 -11.798 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.544 1.112 -13.425 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.253 0.060 -12.795 1.00 0.00 H new ATOM 206 N ALA A 16 12.429 -3.917 -15.661 1.00 0.00 N ATOM 207 CA ALA A 16 11.170 -4.560 -15.305 1.00 0.00 C ATOM 208 C ALA A 16 11.411 -5.808 -14.463 1.00 0.00 C ATOM 209 O ALA A 16 11.371 -6.930 -14.969 1.00 0.00 O ATOM 210 CB ALA A 16 10.387 -4.914 -16.560 1.00 0.00 C ATOM 0 H ALA A 16 12.645 -3.935 -16.658 1.00 0.00 H new ATOM 0 HA ALA A 16 10.587 -3.858 -14.710 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.449 -5.394 -16.280 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.176 -4.006 -17.125 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.974 -5.596 -17.175 1.00 0.00 H new ATOM 216 N ASN A 17 11.657 -5.601 -13.173 1.00 0.00 N ATOM 217 CA ASN A 17 11.897 -6.708 -12.255 1.00 0.00 C ATOM 218 C ASN A 17 10.948 -6.635 -11.064 1.00 0.00 C ATOM 219 O ASN A 17 10.006 -7.419 -10.957 1.00 0.00 O ATOM 220 CB ASN A 17 13.351 -6.689 -11.772 1.00 0.00 C ATOM 221 CG ASN A 17 14.339 -6.648 -12.921 1.00 0.00 C ATOM 222 OD1 ASN A 17 15.291 -5.867 -12.908 1.00 0.00 O ATOM 223 ND2 ASN A 17 14.118 -7.491 -13.921 1.00 0.00 N ATOM 0 H ASN A 17 11.695 -4.678 -12.741 1.00 0.00 H new ATOM 0 HA ASN A 17 11.713 -7.641 -12.787 1.00 0.00 H new ATOM 0 HB2 ASN A 17 13.507 -5.822 -11.131 1.00 0.00 H new ATOM 0 HB3 ASN A 17 13.541 -7.573 -11.164 1.00 0.00 H new ATOM 0 HD21 ASN A 17 14.750 -7.510 -14.721 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.316 -8.121 -13.889 1.00 0.00 H new ATOM 230 N LEU A 18 11.205 -5.684 -10.169 1.00 0.00 N ATOM 231 CA LEU A 18 10.379 -5.505 -8.983 1.00 0.00 C ATOM 232 C LEU A 18 9.859 -4.072 -8.892 1.00 0.00 C ATOM 233 O LEU A 18 10.210 -3.329 -7.974 1.00 0.00 O ATOM 234 CB LEU A 18 11.184 -5.853 -7.731 1.00 0.00 C ATOM 235 CG LEU A 18 12.038 -7.118 -7.849 1.00 0.00 C ATOM 236 CD1 LEU A 18 13.476 -6.759 -8.199 1.00 0.00 C ATOM 237 CD2 LEU A 18 11.986 -7.921 -6.557 1.00 0.00 C ATOM 0 H LEU A 18 11.980 -5.026 -10.245 1.00 0.00 H new ATOM 0 HA LEU A 18 9.522 -6.174 -9.056 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.835 -5.013 -7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.495 -5.973 -6.895 1.00 0.00 H new ATOM 0 HG LEU A 18 11.632 -7.734 -8.651 1.00 0.00 H new ATOM 0 HD11 LEU A 18 14.069 -7.670 -8.279 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.497 -6.227 -9.150 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.892 -6.122 -7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.599 -8.816 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 18 12.366 -7.314 -5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.956 -8.209 -6.349 1.00 0.00 H new ATOM 249 N THR A 19 9.018 -3.693 -9.848 1.00 0.00 N ATOM 250 CA THR A 19 8.440 -2.354 -9.877 1.00 0.00 C ATOM 251 C THR A 19 7.294 -2.212 -8.873 1.00 0.00 C ATOM 252 O THR A 19 7.256 -1.251 -8.105 1.00 0.00 O ATOM 253 CB THR A 19 7.942 -2.021 -11.286 1.00 0.00 C ATOM 254 OG1 THR A 19 8.993 -2.131 -12.232 1.00 0.00 O ATOM 255 CG2 THR A 19 7.356 -0.627 -11.398 1.00 0.00 C ATOM 0 H THR A 19 8.721 -4.296 -10.615 1.00 0.00 H new ATOM 0 HA THR A 19 9.224 -1.651 -9.595 1.00 0.00 H new ATOM 0 HB THR A 19 7.154 -2.745 -11.494 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.653 -1.916 -13.125 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.022 -0.454 -12.421 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.509 -0.533 -10.719 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.116 0.109 -11.135 1.00 0.00 H new ATOM 263 N PRO A 20 6.334 -3.161 -8.862 1.00 0.00 N ATOM 264 CA PRO A 20 5.192 -3.106 -7.941 1.00 0.00 C ATOM 265 C PRO A 20 5.606 -3.307 -6.487 1.00 0.00 C ATOM 266 O PRO A 20 4.990 -2.756 -5.575 1.00 0.00 O ATOM 267 CB PRO A 20 4.293 -4.253 -8.407 1.00 0.00 C ATOM 268 CG PRO A 20 5.202 -5.194 -9.118 1.00 0.00 C ATOM 269 CD PRO A 20 6.277 -4.348 -9.739 1.00 0.00 C ATOM 0 HA PRO A 20 4.703 -2.132 -7.964 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.805 -4.739 -7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.504 -3.892 -9.067 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.629 -5.920 -8.426 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.662 -5.757 -9.879 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.233 -4.871 -9.768 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.031 -4.077 -10.766 1.00 0.00 H new ATOM 277 N GLU A 21 6.653 -4.098 -6.277 1.00 0.00 N ATOM 278 CA GLU A 21 7.148 -4.365 -4.932 1.00 0.00 C ATOM 279 C GLU A 21 7.721 -3.096 -4.307 1.00 0.00 C ATOM 280 O GLU A 21 7.507 -2.821 -3.126 1.00 0.00 O ATOM 281 CB GLU A 21 8.216 -5.463 -4.965 1.00 0.00 C ATOM 282 CG GLU A 21 8.903 -5.697 -3.628 1.00 0.00 C ATOM 283 CD GLU A 21 10.380 -5.354 -3.660 1.00 0.00 C ATOM 284 OE1 GLU A 21 10.712 -4.152 -3.594 1.00 0.00 O ATOM 285 OE2 GLU A 21 11.203 -6.288 -3.752 1.00 0.00 O ATOM 0 H GLU A 21 7.174 -4.564 -7.020 1.00 0.00 H new ATOM 0 HA GLU A 21 6.311 -4.705 -4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.755 -6.395 -5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.969 -5.201 -5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.412 -5.097 -2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.783 -6.742 -3.341 1.00 0.00 H new ATOM 292 N GLN A 22 8.451 -2.328 -5.110 1.00 0.00 N ATOM 293 CA GLN A 22 9.056 -1.089 -4.639 1.00 0.00 C ATOM 294 C GLN A 22 8.009 0.011 -4.500 1.00 0.00 C ATOM 295 O GLN A 22 7.885 0.633 -3.444 1.00 0.00 O ATOM 296 CB GLN A 22 10.158 -0.638 -5.598 1.00 0.00 C ATOM 297 CG GLN A 22 11.378 -1.545 -5.590 1.00 0.00 C ATOM 298 CD GLN A 22 12.153 -1.469 -4.290 1.00 0.00 C ATOM 299 OE1 GLN A 22 11.846 -0.659 -3.417 1.00 0.00 O ATOM 300 NE2 GLN A 22 13.165 -2.318 -4.154 1.00 0.00 N ATOM 0 H GLN A 22 8.637 -2.543 -6.090 1.00 0.00 H new ATOM 0 HA GLN A 22 9.491 -1.279 -3.658 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.754 -0.595 -6.609 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.466 0.374 -5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.062 -2.574 -5.760 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.034 -1.272 -6.416 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.385 -2.974 -4.904 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.722 -2.315 -3.300 1.00 0.00 H new ATOM 309 N GLN A 23 7.255 0.247 -5.572 1.00 0.00 N ATOM 310 CA GLN A 23 6.217 1.273 -5.569 1.00 0.00 C ATOM 311 C GLN A 23 5.304 1.122 -4.356 1.00 0.00 C ATOM 312 O GLN A 23 5.053 2.083 -3.631 1.00 0.00 O ATOM 313 CB GLN A 23 5.392 1.201 -6.856 1.00 0.00 C ATOM 314 CG GLN A 23 4.276 2.233 -6.923 1.00 0.00 C ATOM 315 CD GLN A 23 4.696 3.497 -7.645 1.00 0.00 C ATOM 316 OE1 GLN A 23 5.085 4.483 -7.021 1.00 0.00 O ATOM 317 NE2 GLN A 23 4.615 3.474 -8.970 1.00 0.00 N ATOM 0 H GLN A 23 7.344 -0.259 -6.453 1.00 0.00 H new ATOM 0 HA GLN A 23 6.705 2.246 -5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.055 1.339 -7.710 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.960 0.204 -6.945 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.414 1.799 -7.429 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.958 2.485 -5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.287 2.634 -9.446 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.881 4.296 -9.512 1.00 0.00 H new ATOM 326 N LYS A 24 4.807 -0.091 -4.144 1.00 0.00 N ATOM 327 CA LYS A 24 3.921 -0.361 -3.018 1.00 0.00 C ATOM 328 C LYS A 24 4.638 -0.125 -1.694 1.00 0.00 C ATOM 329 O LYS A 24 4.009 0.200 -0.688 1.00 0.00 O ATOM 330 CB LYS A 24 3.401 -1.797 -3.082 1.00 0.00 C ATOM 331 CG LYS A 24 2.388 -2.031 -4.191 1.00 0.00 C ATOM 332 CD LYS A 24 1.140 -1.180 -4.006 1.00 0.00 C ATOM 333 CE LYS A 24 0.374 -1.571 -2.749 1.00 0.00 C ATOM 334 NZ LYS A 24 -1.086 -1.721 -3.009 1.00 0.00 N ATOM 0 H LYS A 24 5.001 -0.900 -4.734 1.00 0.00 H new ATOM 0 HA LYS A 24 3.076 0.325 -3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.244 -2.473 -3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.945 -2.052 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.844 -1.802 -5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.110 -3.085 -4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.422 -0.129 -3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.492 -1.290 -4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.771 -2.508 -2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.529 -0.815 -1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.618 -1.483 -2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.369 -1.082 -3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.291 -2.703 -3.282 1.00 0.00 H new ATOM 348 N ASN A 25 5.959 -0.291 -1.696 1.00 0.00 N ATOM 349 CA ASN A 25 6.747 -0.094 -0.485 1.00 0.00 C ATOM 350 C ASN A 25 6.670 1.357 -0.017 1.00 0.00 C ATOM 351 O ASN A 25 6.295 1.628 1.123 1.00 0.00 O ATOM 352 CB ASN A 25 8.205 -0.489 -0.731 1.00 0.00 C ATOM 353 CG ASN A 25 8.879 -1.024 0.520 1.00 0.00 C ATOM 354 OD1 ASN A 25 9.719 -0.355 1.121 1.00 0.00 O ATOM 355 ND2 ASN A 25 8.512 -2.237 0.916 1.00 0.00 N ATOM 0 H ASN A 25 6.501 -0.559 -2.517 1.00 0.00 H new ATOM 0 HA ASN A 25 6.334 -0.731 0.297 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.246 -1.246 -1.514 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.757 0.378 -1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.931 -2.650 1.749 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.811 -2.756 0.387 1.00 0.00 H new ATOM 362 N VAL A 26 7.025 2.286 -0.902 1.00 0.00 N ATOM 363 CA VAL A 26 6.991 3.708 -0.569 1.00 0.00 C ATOM 364 C VAL A 26 5.609 4.109 -0.068 1.00 0.00 C ATOM 365 O VAL A 26 5.478 4.909 0.859 1.00 0.00 O ATOM 366 CB VAL A 26 7.387 4.589 -1.780 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.185 4.922 -2.660 1.00 0.00 C ATOM 368 CG2 VAL A 26 8.075 5.863 -1.312 1.00 0.00 C ATOM 0 H VAL A 26 7.338 2.081 -1.851 1.00 0.00 H new ATOM 0 HA VAL A 26 7.722 3.873 0.223 1.00 0.00 H new ATOM 0 HB VAL A 26 8.086 4.013 -2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.507 5.541 -3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.745 4.000 -3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.443 5.463 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.346 6.469 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.398 6.428 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.975 5.606 -0.753 1.00 0.00 H new ATOM 378 N LEU A 27 4.583 3.544 -0.695 1.00 0.00 N ATOM 379 CA LEU A 27 3.202 3.835 -0.329 1.00 0.00 C ATOM 380 C LEU A 27 3.018 3.781 1.185 1.00 0.00 C ATOM 381 O LEU A 27 2.542 4.740 1.786 1.00 0.00 O ATOM 382 CB LEU A 27 2.256 2.840 -1.010 1.00 0.00 C ATOM 383 CG LEU A 27 1.297 3.453 -2.032 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.571 2.904 -3.426 1.00 0.00 C ATOM 385 CD2 LEU A 27 -0.150 3.197 -1.635 1.00 0.00 C ATOM 0 H LEU A 27 4.683 2.879 -1.462 1.00 0.00 H new ATOM 0 HA LEU A 27 2.963 4.843 -0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.854 2.077 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.670 2.335 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 27 1.464 4.530 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.878 3.353 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.594 3.143 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.438 1.822 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.815 3.642 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.329 2.123 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.344 3.643 -0.659 1.00 0.00 H new ATOM 397 N GLY A 28 3.398 2.658 1.786 1.00 0.00 N ATOM 398 CA GLY A 28 3.255 2.496 3.223 1.00 0.00 C ATOM 399 C GLY A 28 4.038 3.520 4.012 1.00 0.00 C ATOM 400 O GLY A 28 3.537 4.065 4.996 1.00 0.00 O ATOM 0 H GLY A 28 3.803 1.856 1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.200 2.569 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.586 1.497 3.505 1.00 0.00 H new ATOM 404 N GLU A 29 5.265 3.798 3.588 1.00 0.00 N ATOM 405 CA GLU A 29 6.089 4.779 4.278 1.00 0.00 C ATOM 406 C GLU A 29 5.426 6.150 4.217 1.00 0.00 C ATOM 407 O GLU A 29 5.184 6.783 5.243 1.00 0.00 O ATOM 408 CB GLU A 29 7.487 4.837 3.660 1.00 0.00 C ATOM 409 CG GLU A 29 8.408 3.726 4.136 1.00 0.00 C ATOM 410 CD GLU A 29 8.723 3.823 5.618 1.00 0.00 C ATOM 411 OE1 GLU A 29 9.445 4.763 6.010 1.00 0.00 O ATOM 412 OE2 GLU A 29 8.248 2.958 6.383 1.00 0.00 O ATOM 0 H GLU A 29 5.707 3.363 2.778 1.00 0.00 H new ATOM 0 HA GLU A 29 6.188 4.480 5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.398 4.784 2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.940 5.800 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.944 2.761 3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.337 3.761 3.568 1.00 0.00 H new ATOM 419 N ARG A 30 5.124 6.596 2.999 1.00 0.00 N ATOM 420 CA ARG A 30 4.475 7.884 2.796 1.00 0.00 C ATOM 421 C ARG A 30 3.023 7.853 3.276 1.00 0.00 C ATOM 422 O ARG A 30 2.385 8.899 3.411 1.00 0.00 O ATOM 423 CB ARG A 30 4.521 8.275 1.313 1.00 0.00 C ATOM 424 CG ARG A 30 5.873 8.036 0.657 1.00 0.00 C ATOM 425 CD ARG A 30 6.110 8.988 -0.505 1.00 0.00 C ATOM 426 NE ARG A 30 5.444 8.543 -1.731 1.00 0.00 N ATOM 427 CZ ARG A 30 4.223 8.925 -2.102 1.00 0.00 C ATOM 428 NH1 ARG A 30 3.516 9.764 -1.353 1.00 0.00 N ATOM 429 NH2 ARG A 30 3.706 8.468 -3.235 1.00 0.00 N ATOM 0 H ARG A 30 5.319 6.082 2.140 1.00 0.00 H new ATOM 0 HA ARG A 30 5.016 8.626 3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.761 7.709 0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.262 9.329 1.217 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.664 8.161 1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.928 7.007 0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.749 9.981 -0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.181 9.076 -0.687 1.00 0.00 H new ATOM 0 HE ARG A 30 5.948 7.899 -2.340 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.907 10.124 -0.482 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.582 10.049 -1.649 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.243 7.827 -3.818 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.771 8.758 -3.523 1.00 0.00 H new ATOM 443 N LEU A 31 2.501 6.651 3.529 1.00 0.00 N ATOM 444 CA LEU A 31 1.125 6.495 3.988 1.00 0.00 C ATOM 445 C LEU A 31 0.983 6.876 5.458 1.00 0.00 C ATOM 446 O LEU A 31 0.246 7.796 5.812 1.00 0.00 O ATOM 447 CB LEU A 31 0.677 5.042 3.800 1.00 0.00 C ATOM 448 CG LEU A 31 -0.618 4.854 3.011 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.353 4.128 1.700 1.00 0.00 C ATOM 450 CD2 LEU A 31 -1.649 4.102 3.849 1.00 0.00 C ATOM 0 H LEU A 31 3.012 5.775 3.423 1.00 0.00 H new ATOM 0 HA LEU A 31 0.497 7.161 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.474 4.496 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.553 4.587 4.783 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.021 5.839 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.290 4.006 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.344 4.709 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.077 3.148 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.565 3.977 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.254 3.123 4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.865 4.669 4.755 1.00 0.00 H new ATOM 462 N TYR A 32 1.686 6.147 6.311 1.00 0.00 N ATOM 463 CA TYR A 32 1.643 6.379 7.749 1.00 0.00 C ATOM 464 C TYR A 32 1.875 7.852 8.078 1.00 0.00 C ATOM 465 O TYR A 32 1.359 8.360 9.068 1.00 0.00 O ATOM 466 CB TYR A 32 2.705 5.504 8.426 1.00 0.00 C ATOM 467 CG TYR A 32 2.650 5.477 9.939 1.00 0.00 C ATOM 468 CD1 TYR A 32 3.230 6.486 10.696 1.00 0.00 C ATOM 469 CD2 TYR A 32 2.039 4.424 10.611 1.00 0.00 C ATOM 470 CE1 TYR A 32 3.197 6.451 12.079 1.00 0.00 C ATOM 471 CE2 TYR A 32 2.000 4.384 11.994 1.00 0.00 C ATOM 472 CZ TYR A 32 2.582 5.400 12.723 1.00 0.00 C ATOM 473 OH TYR A 32 2.548 5.363 14.098 1.00 0.00 O ATOM 0 H TYR A 32 2.299 5.382 6.030 1.00 0.00 H new ATOM 0 HA TYR A 32 0.654 6.113 8.122 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.601 4.484 8.056 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.691 5.855 8.121 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.715 7.312 10.197 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.587 3.624 10.044 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.652 7.245 12.652 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.516 3.561 12.500 1.00 0.00 H new ATOM 0 HH TYR A 32 2.076 4.556 14.392 1.00 0.00 H new ATOM 483 N ASN A 33 2.658 8.524 7.246 1.00 0.00 N ATOM 484 CA ASN A 33 2.975 9.935 7.446 1.00 0.00 C ATOM 485 C ASN A 33 1.779 10.840 7.193 1.00 0.00 C ATOM 486 O ASN A 33 1.583 11.836 7.890 1.00 0.00 O ATOM 487 CB ASN A 33 4.135 10.331 6.526 1.00 0.00 C ATOM 488 CG ASN A 33 4.292 11.835 6.358 1.00 0.00 C ATOM 489 OD1 ASN A 33 3.364 12.459 5.632 1.00 0.00 O flip ATOM 490 ND2 ASN A 33 5.240 12.431 6.871 1.00 0.00 N flip ATOM 0 H ASN A 33 3.090 8.112 6.419 1.00 0.00 H new ATOM 0 HA ASN A 33 3.260 10.066 8.490 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.062 9.920 6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.982 9.878 5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.929 11.917 7.420 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.336 13.439 6.747 1.00 0.00 H new ATOM 497 N HIS A 34 0.990 10.516 6.184 1.00 0.00 N ATOM 498 CA HIS A 34 -0.160 11.338 5.857 1.00 0.00 C ATOM 499 C HIS A 34 -1.150 11.361 7.012 1.00 0.00 C ATOM 500 O HIS A 34 -1.758 12.387 7.297 1.00 0.00 O ATOM 501 CB HIS A 34 -0.849 10.835 4.588 1.00 0.00 C ATOM 502 CG HIS A 34 -1.562 9.535 4.755 1.00 0.00 C ATOM 503 ND1 HIS A 34 -2.514 9.179 5.635 1.00 0.00 N flip ATOM 504 CD2 HIS A 34 -1.312 8.422 3.993 1.00 0.00 C flip ATOM 505 CE1 HIS A 34 -2.820 7.869 5.409 1.00 0.00 C flip ATOM 506 NE2 HIS A 34 -2.084 7.433 4.409 1.00 0.00 N flip ATOM 0 H HIS A 34 1.122 9.701 5.585 1.00 0.00 H new ATOM 0 HA HIS A 34 0.196 12.353 5.679 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.562 11.588 4.252 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.103 10.729 3.800 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -2.932 9.781 6.344 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.599 8.363 3.184 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.545 7.287 5.959 1.00 0.00 H new ATOM 515 N ILE A 35 -1.326 10.212 7.646 1.00 0.00 N ATOM 516 CA ILE A 35 -2.270 10.084 8.751 1.00 0.00 C ATOM 517 C ILE A 35 -1.613 10.219 10.125 1.00 0.00 C ATOM 518 O ILE A 35 -2.244 10.702 11.059 1.00 0.00 O ATOM 519 CB ILE A 35 -3.067 8.752 8.676 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.566 9.029 8.805 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.624 7.756 9.738 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.273 9.122 7.472 1.00 0.00 C ATOM 0 H ILE A 35 -0.828 9.352 7.416 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.961 10.919 8.637 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.861 8.303 7.704 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.025 8.238 9.398 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.711 9.961 9.351 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.209 6.841 9.646 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.567 7.526 9.603 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.778 8.187 10.727 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.332 9.320 7.635 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.839 9.932 6.886 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.158 8.182 6.933 1.00 0.00 H new ATOM 534 N VAL A 36 -0.367 9.770 10.268 1.00 0.00 N ATOM 535 CA VAL A 36 0.302 9.839 11.568 1.00 0.00 C ATOM 536 C VAL A 36 0.047 11.184 12.245 1.00 0.00 C ATOM 537 O VAL A 36 -0.320 11.244 13.419 1.00 0.00 O ATOM 538 CB VAL A 36 1.828 9.601 11.465 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.499 10.675 10.628 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.449 9.533 12.851 1.00 0.00 C ATOM 0 H VAL A 36 0.191 9.363 9.518 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.125 9.037 12.171 1.00 0.00 H new ATOM 0 HB VAL A 36 1.986 8.645 10.965 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.570 10.479 10.575 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.079 10.668 9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.331 11.650 11.085 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.522 9.365 12.761 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.271 10.472 13.376 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.999 8.713 13.411 1.00 0.00 H new ATOM 550 N ALA A 37 0.240 12.259 11.490 1.00 0.00 N ATOM 551 CA ALA A 37 0.027 13.605 12.002 1.00 0.00 C ATOM 552 C ALA A 37 -1.460 13.923 12.078 1.00 0.00 C ATOM 553 O ALA A 37 -1.888 14.749 12.885 1.00 0.00 O ATOM 554 CB ALA A 37 0.739 14.619 11.119 1.00 0.00 C ATOM 0 H ALA A 37 0.545 12.223 10.517 1.00 0.00 H new ATOM 0 HA ALA A 37 0.441 13.661 13.009 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.573 15.623 11.511 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.808 14.405 11.109 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.347 14.556 10.104 1.00 0.00 H new ATOM 560 N ILE A 38 -2.248 13.273 11.226 1.00 0.00 N ATOM 561 CA ILE A 38 -3.692 13.504 11.201 1.00 0.00 C ATOM 562 C ILE A 38 -4.429 12.591 12.180 1.00 0.00 C ATOM 563 O ILE A 38 -5.013 13.057 13.157 1.00 0.00 O ATOM 564 CB ILE A 38 -4.270 13.316 9.785 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.381 14.016 8.756 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.691 13.854 9.720 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.129 15.476 9.062 1.00 0.00 C ATOM 0 H ILE A 38 -1.916 12.587 10.548 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.845 14.538 11.509 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.295 12.251 9.553 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.425 13.495 8.701 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.845 13.935 7.773 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.087 13.715 8.714 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.316 13.317 10.434 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.690 14.916 9.966 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.491 15.905 8.289 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.078 16.011 9.088 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.636 15.565 10.030 1.00 0.00 H new ATOM 579 N ASN A 39 -4.389 11.288 11.922 1.00 0.00 N ATOM 580 CA ASN A 39 -5.046 10.315 12.791 1.00 0.00 C ATOM 581 C ASN A 39 -4.034 9.313 13.344 1.00 0.00 C ATOM 582 O ASN A 39 -3.925 8.189 12.852 1.00 0.00 O ATOM 583 CB ASN A 39 -6.149 9.583 12.033 1.00 0.00 C ATOM 584 CG ASN A 39 -7.486 10.287 12.151 1.00 0.00 C ATOM 585 OD1 ASN A 39 -7.566 11.511 12.040 1.00 0.00 O ATOM 586 ND2 ASN A 39 -8.543 9.519 12.375 1.00 0.00 N ATOM 0 H ASN A 39 -3.909 10.880 11.119 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.492 10.853 13.627 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.874 9.503 10.981 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.240 8.567 12.417 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.469 9.938 12.462 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.431 8.509 12.460 1.00 0.00 H new ATOM 593 N PRO A 40 -3.279 9.713 14.382 1.00 0.00 N ATOM 594 CA PRO A 40 -2.272 8.848 15.007 1.00 0.00 C ATOM 595 C PRO A 40 -2.833 7.482 15.376 1.00 0.00 C ATOM 596 O PRO A 40 -2.132 6.472 15.312 1.00 0.00 O ATOM 597 CB PRO A 40 -1.871 9.622 16.264 1.00 0.00 C ATOM 598 CG PRO A 40 -2.153 11.047 15.940 1.00 0.00 C ATOM 599 CD PRO A 40 -3.350 11.037 15.029 1.00 0.00 C ATOM 0 HA PRO A 40 -1.439 8.640 14.336 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.444 9.293 17.131 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.818 9.471 16.502 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.356 11.620 16.845 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.296 11.513 15.453 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.279 11.163 15.585 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.305 11.844 14.298 1.00 0.00 H new ATOM 607 N ALA A 41 -4.104 7.457 15.760 1.00 0.00 N ATOM 608 CA ALA A 41 -4.762 6.215 16.138 1.00 0.00 C ATOM 609 C ALA A 41 -5.489 5.594 14.949 1.00 0.00 C ATOM 610 O ALA A 41 -6.657 5.219 15.048 1.00 0.00 O ATOM 611 CB ALA A 41 -5.729 6.464 17.287 1.00 0.00 C ATOM 0 H ALA A 41 -4.698 8.284 15.817 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.999 5.509 16.467 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.216 5.528 17.562 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.182 6.854 18.145 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.483 7.188 16.978 1.00 0.00 H new ATOM 617 N ALA A 42 -4.788 5.481 13.824 1.00 0.00 N ATOM 618 CA ALA A 42 -5.362 4.896 12.617 1.00 0.00 C ATOM 619 C ALA A 42 -4.265 4.420 11.678 1.00 0.00 C ATOM 620 O ALA A 42 -4.370 3.352 11.078 1.00 0.00 O ATOM 621 CB ALA A 42 -6.268 5.889 11.908 1.00 0.00 C ATOM 0 H ALA A 42 -3.820 5.787 13.724 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.963 4.037 12.915 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.683 5.428 11.012 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.080 6.181 12.574 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.692 6.771 11.629 1.00 0.00 H new ATOM 627 N ALA A 43 -3.207 5.225 11.564 1.00 0.00 N ATOM 628 CA ALA A 43 -2.068 4.904 10.707 1.00 0.00 C ATOM 629 C ALA A 43 -1.745 3.418 10.753 1.00 0.00 C ATOM 630 O ALA A 43 -1.680 2.751 9.723 1.00 0.00 O ATOM 631 CB ALA A 43 -0.860 5.715 11.137 1.00 0.00 C ATOM 0 H ALA A 43 -3.117 6.112 12.060 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.329 5.158 9.680 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.012 5.473 10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.087 6.778 11.053 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.612 5.477 12.171 1.00 0.00 H new ATOM 637 N ALA A 44 -1.536 2.907 11.962 1.00 0.00 N ATOM 638 CA ALA A 44 -1.214 1.501 12.150 1.00 0.00 C ATOM 639 C ALA A 44 -2.185 0.598 11.389 1.00 0.00 C ATOM 640 O ALA A 44 -1.800 -0.448 10.870 1.00 0.00 O ATOM 641 CB ALA A 44 -1.210 1.156 13.633 1.00 0.00 C ATOM 0 H ALA A 44 -1.584 3.448 12.825 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.217 1.327 11.745 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.968 0.101 13.760 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.465 1.764 14.146 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.195 1.356 14.056 1.00 0.00 H new ATOM 647 N LYS A 45 -3.446 1.017 11.329 1.00 0.00 N ATOM 648 CA LYS A 45 -4.480 0.258 10.631 1.00 0.00 C ATOM 649 C LYS A 45 -4.568 0.655 9.164 1.00 0.00 C ATOM 650 O LYS A 45 -4.626 -0.199 8.281 1.00 0.00 O ATOM 651 CB LYS A 45 -5.835 0.478 11.293 1.00 0.00 C ATOM 652 CG LYS A 45 -5.919 -0.098 12.694 1.00 0.00 C ATOM 653 CD LYS A 45 -6.921 -1.241 12.771 1.00 0.00 C ATOM 654 CE LYS A 45 -8.044 -0.934 13.746 1.00 0.00 C ATOM 655 NZ LYS A 45 -7.526 -0.486 15.068 1.00 0.00 N ATOM 0 H LYS A 45 -3.778 1.881 11.757 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.208 -0.796 10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.042 1.547 11.334 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.611 0.027 10.675 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.936 -0.454 13.001 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.207 0.687 13.394 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.338 -1.427 11.781 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.410 -2.153 13.079 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.687 -0.160 13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.661 -1.822 13.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.972 -1.045 15.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.495 -0.621 15.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.748 0.521 15.205 1.00 0.00 H new ATOM 669 N VAL A 46 -4.578 1.958 8.912 1.00 0.00 N ATOM 670 CA VAL A 46 -4.660 2.466 7.551 1.00 0.00 C ATOM 671 C VAL A 46 -3.486 1.977 6.720 1.00 0.00 C ATOM 672 O VAL A 46 -3.661 1.534 5.588 1.00 0.00 O ATOM 673 CB VAL A 46 -4.676 4.007 7.511 1.00 0.00 C ATOM 674 CG1 VAL A 46 -5.185 4.491 6.164 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.515 4.580 8.646 1.00 0.00 C ATOM 0 H VAL A 46 -4.530 2.680 9.631 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.596 2.090 7.137 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.655 4.363 7.646 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.192 5.581 6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.532 4.120 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.197 4.119 6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.507 5.669 8.591 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.540 4.220 8.558 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.099 4.262 9.602 1.00 0.00 H new ATOM 685 N THR A 47 -2.291 2.075 7.289 1.00 0.00 N ATOM 686 CA THR A 47 -1.074 1.656 6.606 1.00 0.00 C ATOM 687 C THR A 47 -1.031 0.145 6.407 1.00 0.00 C ATOM 688 O THR A 47 -0.815 -0.340 5.295 1.00 0.00 O ATOM 689 CB THR A 47 0.156 2.097 7.400 1.00 0.00 C ATOM 690 OG1 THR A 47 0.039 3.451 7.795 1.00 0.00 O ATOM 691 CG2 THR A 47 1.445 1.953 6.624 1.00 0.00 C ATOM 0 H THR A 47 -2.139 2.443 8.228 1.00 0.00 H new ATOM 0 HA THR A 47 -1.071 2.131 5.625 1.00 0.00 H new ATOM 0 HB THR A 47 0.195 1.438 8.267 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.545 3.514 8.580 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.280 2.282 7.242 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.588 0.909 6.347 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.397 2.564 5.723 1.00 0.00 H new ATOM 699 N GLY A 48 -1.216 -0.594 7.494 1.00 0.00 N ATOM 700 CA GLY A 48 -1.174 -2.042 7.428 1.00 0.00 C ATOM 701 C GLY A 48 -2.357 -2.618 6.682 1.00 0.00 C ATOM 702 O GLY A 48 -2.188 -3.378 5.727 1.00 0.00 O ATOM 0 H GLY A 48 -1.395 -0.214 8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.252 -2.354 6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.152 -2.449 8.439 1.00 0.00 H new ATOM 706 N MET A 49 -3.559 -2.255 7.112 1.00 0.00 N ATOM 707 CA MET A 49 -4.769 -2.738 6.471 1.00 0.00 C ATOM 708 C MET A 49 -4.885 -2.176 5.057 1.00 0.00 C ATOM 709 O MET A 49 -5.152 -2.920 4.115 1.00 0.00 O ATOM 710 CB MET A 49 -6.008 -2.345 7.285 1.00 0.00 C ATOM 711 CG MET A 49 -5.935 -2.750 8.749 1.00 0.00 C ATOM 712 SD MET A 49 -6.171 -4.520 8.985 1.00 0.00 S ATOM 713 CE MET A 49 -4.487 -5.044 9.291 1.00 0.00 C ATOM 0 H MET A 49 -3.719 -1.629 7.901 1.00 0.00 H new ATOM 0 HA MET A 49 -4.712 -3.825 6.419 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.144 -1.265 7.223 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.888 -2.804 6.834 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.967 -2.458 9.156 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.694 -2.207 9.312 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.466 -6.121 9.457 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.867 -4.797 8.429 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.102 -4.533 10.174 1.00 0.00 H new ATOM 723 N LEU A 50 -4.720 -0.852 4.942 1.00 0.00 N ATOM 724 CA LEU A 50 -4.836 -0.119 3.666 1.00 0.00 C ATOM 725 C LEU A 50 -5.537 -0.916 2.568 1.00 0.00 C ATOM 726 O LEU A 50 -6.624 -0.549 2.129 1.00 0.00 O ATOM 727 CB LEU A 50 -3.467 0.313 3.151 1.00 0.00 C ATOM 728 CG LEU A 50 -3.515 1.317 2.000 1.00 0.00 C ATOM 729 CD1 LEU A 50 -4.221 2.603 2.425 1.00 0.00 C ATOM 730 CD2 LEU A 50 -2.107 1.598 1.502 1.00 0.00 C ATOM 0 H LEU A 50 -4.500 -0.251 5.736 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.449 0.753 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.903 0.750 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.920 -0.571 2.824 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.092 0.887 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.242 3.301 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.242 2.374 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.684 3.054 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.147 2.314 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.509 2.011 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.653 0.671 1.152 1.00 0.00 H new ATOM 742 N LEU A 51 -4.905 -1.992 2.112 1.00 0.00 N ATOM 743 CA LEU A 51 -5.477 -2.818 1.056 1.00 0.00 C ATOM 744 C LEU A 51 -6.676 -3.608 1.567 1.00 0.00 C ATOM 745 O LEU A 51 -6.622 -4.834 1.672 1.00 0.00 O ATOM 746 CB LEU A 51 -4.416 -3.778 0.505 1.00 0.00 C ATOM 747 CG LEU A 51 -3.462 -3.183 -0.531 1.00 0.00 C ATOM 748 CD1 LEU A 51 -2.233 -2.600 0.150 1.00 0.00 C ATOM 749 CD2 LEU A 51 -3.058 -4.238 -1.547 1.00 0.00 C ATOM 0 H LEU A 51 -3.999 -2.312 2.456 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.817 -2.159 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.827 -4.158 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.923 -4.633 0.057 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.978 -2.379 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.565 -2.181 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.538 -1.815 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.714 -3.386 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.379 -3.798 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.559 -5.062 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.946 -4.612 -2.056 1.00 0.00 H new ATOM 761 N GLU A 52 -7.759 -2.906 1.881 1.00 0.00 N ATOM 762 CA GLU A 52 -8.967 -3.554 2.374 1.00 0.00 C ATOM 763 C GLU A 52 -9.994 -3.717 1.256 1.00 0.00 C ATOM 764 O GLU A 52 -9.723 -3.397 0.098 1.00 0.00 O ATOM 765 CB GLU A 52 -9.567 -2.756 3.533 1.00 0.00 C ATOM 766 CG GLU A 52 -8.649 -2.652 4.740 1.00 0.00 C ATOM 767 CD GLU A 52 -7.980 -3.970 5.082 1.00 0.00 C ATOM 768 OE1 GLU A 52 -7.117 -4.418 4.299 1.00 0.00 O ATOM 769 OE2 GLU A 52 -8.318 -4.551 6.136 1.00 0.00 O ATOM 0 H GLU A 52 -7.825 -1.891 1.803 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.695 -4.546 2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.810 -1.752 3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.503 -3.223 3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.884 -1.900 4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.224 -2.307 5.600 1.00 0.00 H new ATOM 776 N MET A 53 -11.165 -4.229 1.609 1.00 0.00 N ATOM 777 CA MET A 53 -12.226 -4.450 0.633 1.00 0.00 C ATOM 778 C MET A 53 -12.678 -3.147 -0.021 1.00 0.00 C ATOM 779 O MET A 53 -12.576 -2.989 -1.238 1.00 0.00 O ATOM 780 CB MET A 53 -13.419 -5.134 1.300 1.00 0.00 C ATOM 781 CG MET A 53 -13.111 -6.540 1.790 1.00 0.00 C ATOM 782 SD MET A 53 -12.715 -7.671 0.444 1.00 0.00 S ATOM 783 CE MET A 53 -14.209 -7.561 -0.534 1.00 0.00 C ATOM 0 H MET A 53 -11.405 -4.499 2.563 1.00 0.00 H new ATOM 0 HA MET A 53 -11.823 -5.094 -0.149 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.752 -4.528 2.143 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.247 -5.177 0.592 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.274 -6.503 2.487 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.968 -6.924 2.342 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.405 -8.523 -1.008 1.00 0.00 H new ATOM 0 HE2 MET A 53 -15.047 -7.296 0.111 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.086 -6.797 -1.302 1.00 0.00 H new ATOM 793 N ASP A 54 -13.176 -2.216 0.786 1.00 0.00 N ATOM 794 CA ASP A 54 -13.645 -0.936 0.270 1.00 0.00 C ATOM 795 C ASP A 54 -12.556 0.120 0.367 1.00 0.00 C ATOM 796 O ASP A 54 -12.004 0.545 -0.648 1.00 0.00 O ATOM 797 CB ASP A 54 -14.893 -0.488 1.029 1.00 0.00 C ATOM 798 CG ASP A 54 -15.372 0.890 0.611 1.00 0.00 C ATOM 799 OD1 ASP A 54 -14.895 1.395 -0.427 1.00 0.00 O ATOM 800 OD2 ASP A 54 -16.225 1.463 1.321 1.00 0.00 O ATOM 0 H ASP A 54 -13.265 -2.324 1.796 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.900 -1.062 -0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.692 -1.211 0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.681 -0.485 2.098 1.00 0.00 H new ATOM 805 N ASN A 55 -12.240 0.533 1.592 1.00 0.00 N ATOM 806 CA ASN A 55 -11.202 1.534 1.819 1.00 0.00 C ATOM 807 C ASN A 55 -9.966 1.217 0.989 1.00 0.00 C ATOM 808 O ASN A 55 -9.220 2.114 0.599 1.00 0.00 O ATOM 809 CB ASN A 55 -10.828 1.584 3.302 1.00 0.00 C ATOM 810 CG ASN A 55 -9.585 2.419 3.566 1.00 0.00 C ATOM 811 OD1 ASN A 55 -9.362 3.442 2.919 1.00 0.00 O ATOM 812 ND2 ASN A 55 -8.771 1.984 4.520 1.00 0.00 N ATOM 0 H ASN A 55 -12.688 0.190 2.442 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.592 2.506 1.516 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.663 1.994 3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.663 0.570 3.665 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.922 2.503 4.742 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.995 1.130 5.032 1.00 0.00 H new ATOM 819 N GLY A 56 -9.760 -0.065 0.725 1.00 0.00 N ATOM 820 CA GLY A 56 -8.617 -0.475 -0.054 1.00 0.00 C ATOM 821 C GLY A 56 -8.756 -0.112 -1.513 1.00 0.00 C ATOM 822 O GLY A 56 -7.939 0.631 -2.047 1.00 0.00 O ATOM 0 H GLY A 56 -10.364 -0.825 1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.719 -0.008 0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.485 -1.553 0.039 1.00 0.00 H new ATOM 826 N GLU A 57 -9.779 -0.653 -2.174 1.00 0.00 N ATOM 827 CA GLU A 57 -9.996 -0.386 -3.596 1.00 0.00 C ATOM 828 C GLU A 57 -9.598 1.037 -3.982 1.00 0.00 C ATOM 829 O GLU A 57 -8.798 1.242 -4.894 1.00 0.00 O ATOM 830 CB GLU A 57 -11.453 -0.618 -3.970 1.00 0.00 C ATOM 831 CG GLU A 57 -11.919 -2.047 -3.752 1.00 0.00 C ATOM 832 CD GLU A 57 -12.059 -2.824 -5.049 1.00 0.00 C ATOM 833 OE1 GLU A 57 -11.905 -2.216 -6.131 1.00 0.00 O ATOM 834 OE2 GLU A 57 -12.328 -4.043 -4.985 1.00 0.00 O ATOM 0 H GLU A 57 -10.467 -1.275 -1.751 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.359 -1.079 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.081 0.053 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.596 -0.354 -5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.211 -2.560 -3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.878 -2.037 -3.234 1.00 0.00 H new ATOM 841 N ILE A 58 -10.161 2.016 -3.283 1.00 0.00 N ATOM 842 CA ILE A 58 -9.861 3.415 -3.555 1.00 0.00 C ATOM 843 C ILE A 58 -8.359 3.680 -3.454 1.00 0.00 C ATOM 844 O ILE A 58 -7.793 4.407 -4.269 1.00 0.00 O ATOM 845 CB ILE A 58 -10.622 4.343 -2.589 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.131 4.181 -2.783 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.205 5.797 -2.788 1.00 0.00 C ATOM 848 CD1 ILE A 58 -12.633 4.724 -4.103 1.00 0.00 C ATOM 0 H ILE A 58 -10.827 1.866 -2.525 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.188 3.629 -4.573 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.369 4.060 -1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.386 3.124 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.650 4.688 -1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.756 6.432 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.136 5.898 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.424 6.102 -3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.711 4.575 -4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.409 5.789 -4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.141 4.200 -4.923 1.00 0.00 H new ATOM 860 N LEU A 59 -7.729 3.084 -2.441 1.00 0.00 N ATOM 861 CA LEU A 59 -6.293 3.238 -2.215 1.00 0.00 C ATOM 862 C LEU A 59 -5.520 3.261 -3.528 1.00 0.00 C ATOM 863 O LEU A 59 -4.540 3.990 -3.669 1.00 0.00 O ATOM 864 CB LEU A 59 -5.780 2.103 -1.325 1.00 0.00 C ATOM 865 CG LEU A 59 -5.301 0.844 -2.060 1.00 0.00 C ATOM 866 CD1 LEU A 59 -3.891 1.034 -2.601 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.346 -0.351 -1.129 1.00 0.00 C ATOM 0 H LEU A 59 -8.196 2.486 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.132 4.193 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.956 2.484 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.575 1.818 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.969 0.665 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.574 0.128 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.878 1.872 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.209 1.238 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.004 -1.239 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.698 -0.169 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.368 -0.505 -0.784 1.00 0.00 H new ATOM 879 N ASN A 60 -5.967 2.452 -4.483 1.00 0.00 N ATOM 880 CA ASN A 60 -5.318 2.368 -5.788 1.00 0.00 C ATOM 881 C ASN A 60 -5.036 3.756 -6.366 1.00 0.00 C ATOM 882 O ASN A 60 -4.129 3.923 -7.180 1.00 0.00 O ATOM 883 CB ASN A 60 -6.185 1.565 -6.763 1.00 0.00 C ATOM 884 CG ASN A 60 -5.390 0.500 -7.495 1.00 0.00 C ATOM 885 OD1 ASN A 60 -4.579 0.806 -8.368 1.00 0.00 O ATOM 886 ND2 ASN A 60 -5.620 -0.759 -7.140 1.00 0.00 N ATOM 0 H ASN A 60 -6.779 1.843 -4.378 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.364 1.859 -5.649 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.002 1.094 -6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.635 2.242 -7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.115 -1.518 -7.597 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.302 -0.967 -6.410 1.00 0.00 H new ATOM 893 N LEU A 61 -5.825 4.745 -5.952 1.00 0.00 N ATOM 894 CA LEU A 61 -5.659 6.107 -6.445 1.00 0.00 C ATOM 895 C LEU A 61 -5.316 7.079 -5.318 1.00 0.00 C ATOM 896 O LEU A 61 -6.048 8.040 -5.085 1.00 0.00 O ATOM 897 CB LEU A 61 -6.937 6.571 -7.151 1.00 0.00 C ATOM 898 CG LEU A 61 -7.509 5.581 -8.172 1.00 0.00 C ATOM 899 CD1 LEU A 61 -8.980 5.304 -7.891 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.326 6.108 -9.592 1.00 0.00 C ATOM 0 H LEU A 61 -6.582 4.628 -5.279 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.829 6.101 -7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.698 6.772 -6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.732 7.514 -7.657 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.961 4.643 -8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.365 4.599 -8.628 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.086 4.879 -6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.544 6.235 -7.951 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.738 5.391 -10.302 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.845 7.061 -9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.264 6.249 -9.794 1.00 0.00 H new ATOM 912 N LEU A 62 -4.212 6.815 -4.611 1.00 0.00 N ATOM 913 CA LEU A 62 -3.777 7.663 -3.489 1.00 0.00 C ATOM 914 C LEU A 62 -4.232 9.118 -3.652 1.00 0.00 C ATOM 915 O LEU A 62 -3.548 9.934 -4.267 1.00 0.00 O ATOM 916 CB LEU A 62 -2.252 7.616 -3.367 1.00 0.00 C ATOM 917 CG LEU A 62 -1.686 6.314 -2.806 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.404 5.933 -3.530 1.00 0.00 C ATOM 919 CD2 LEU A 62 -1.444 6.432 -1.308 1.00 0.00 C ATOM 0 H LEU A 62 -3.600 6.020 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.241 7.270 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.819 7.787 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.929 8.439 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.419 5.524 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.015 5.002 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.612 5.799 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.335 6.724 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.041 5.493 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.733 7.236 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.385 6.652 -0.804 1.00 0.00 H new ATOM 931 N ASP A 63 -5.404 9.422 -3.098 1.00 0.00 N ATOM 932 CA ASP A 63 -5.973 10.765 -3.177 1.00 0.00 C ATOM 933 C ASP A 63 -5.959 11.447 -1.814 1.00 0.00 C ATOM 934 O ASP A 63 -5.846 10.792 -0.783 1.00 0.00 O ATOM 935 CB ASP A 63 -7.407 10.694 -3.708 1.00 0.00 C ATOM 936 CG ASP A 63 -7.661 11.680 -4.831 1.00 0.00 C ATOM 937 OD1 ASP A 63 -6.921 11.640 -5.838 1.00 0.00 O ATOM 938 OD2 ASP A 63 -8.603 12.491 -4.706 1.00 0.00 O ATOM 0 H ASP A 63 -5.980 8.753 -2.587 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.362 11.354 -3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.609 9.684 -4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.103 10.890 -2.892 1.00 0.00 H new ATOM 943 N THR A 64 -6.079 12.771 -1.814 1.00 0.00 N ATOM 944 CA THR A 64 -6.083 13.525 -0.566 1.00 0.00 C ATOM 945 C THR A 64 -7.415 13.358 0.157 1.00 0.00 C ATOM 946 O THR A 64 -7.448 13.000 1.325 1.00 0.00 O ATOM 947 CB THR A 64 -5.796 15.005 -0.824 1.00 0.00 C ATOM 948 OG1 THR A 64 -4.975 15.166 -1.965 1.00 0.00 O ATOM 949 CG2 THR A 64 -5.104 15.693 0.338 1.00 0.00 C ATOM 0 H THR A 64 -6.174 13.339 -2.656 1.00 0.00 H new ATOM 0 HA THR A 64 -5.292 13.130 0.071 1.00 0.00 H new ATOM 0 HB THR A 64 -6.773 15.466 -0.971 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.805 16.120 -2.114 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.930 16.740 0.089 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.734 15.631 1.225 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.150 15.203 0.535 1.00 0.00 H new ATOM 957 N PRO A 65 -8.540 13.607 -0.533 1.00 0.00 N ATOM 958 CA PRO A 65 -9.864 13.464 0.064 1.00 0.00 C ATOM 959 C PRO A 65 -10.304 12.002 0.173 1.00 0.00 C ATOM 960 O PRO A 65 -10.520 11.492 1.271 1.00 0.00 O ATOM 961 CB PRO A 65 -10.771 14.246 -0.885 1.00 0.00 C ATOM 962 CG PRO A 65 -10.080 14.219 -2.209 1.00 0.00 C ATOM 963 CD PRO A 65 -8.608 14.031 -1.943 1.00 0.00 C ATOM 0 HA PRO A 65 -9.892 13.833 1.089 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.759 13.790 -0.948 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.914 15.269 -0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.465 13.408 -2.827 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.257 15.147 -2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.178 13.279 -2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.054 14.955 -2.107 1.00 0.00 H new ATOM 971 N GLY A 66 -10.450 11.342 -0.974 1.00 0.00 N ATOM 972 CA GLY A 66 -10.880 9.951 -1.000 1.00 0.00 C ATOM 973 C GLY A 66 -10.144 9.087 -0.001 1.00 0.00 C ATOM 974 O GLY A 66 -10.754 8.486 0.884 1.00 0.00 O ATOM 0 H GLY A 66 -10.277 11.749 -1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.950 9.903 -0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.729 9.548 -2.002 1.00 0.00 H new ATOM 978 N LEU A 67 -8.831 9.021 -0.148 1.00 0.00 N ATOM 979 CA LEU A 67 -8.006 8.222 0.737 1.00 0.00 C ATOM 980 C LEU A 67 -8.171 8.662 2.191 1.00 0.00 C ATOM 981 O LEU A 67 -8.737 7.935 3.004 1.00 0.00 O ATOM 982 CB LEU A 67 -6.550 8.340 0.292 1.00 0.00 C ATOM 983 CG LEU A 67 -5.932 7.067 -0.292 1.00 0.00 C ATOM 984 CD1 LEU A 67 -5.527 6.104 0.811 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.899 6.402 -1.262 1.00 0.00 C ATOM 0 H LEU A 67 -8.314 9.514 -0.876 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.320 7.180 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.480 9.132 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.952 8.654 1.147 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.032 7.346 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.091 5.208 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.794 6.582 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.405 5.830 1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.444 5.499 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.818 6.141 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.128 7.090 -2.076 1.00 0.00 H new ATOM 997 N LEU A 68 -7.666 9.851 2.513 1.00 0.00 N ATOM 998 CA LEU A 68 -7.748 10.372 3.881 1.00 0.00 C ATOM 999 C LEU A 68 -9.140 10.192 4.472 1.00 0.00 C ATOM 1000 O LEU A 68 -9.290 10.053 5.687 1.00 0.00 O ATOM 1001 CB LEU A 68 -7.342 11.845 3.914 1.00 0.00 C ATOM 1002 CG LEU A 68 -6.107 12.147 4.761 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.849 12.077 3.907 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -6.228 13.510 5.422 1.00 0.00 C ATOM 0 H LEU A 68 -7.198 10.471 1.852 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.054 9.798 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.157 12.180 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.179 12.430 4.295 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.036 11.394 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.977 12.294 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.753 11.078 3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.915 12.809 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.338 13.705 6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.325 14.279 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.108 13.526 6.065 1.00 0.00 H new ATOM 1016 N ASP A 69 -10.157 10.178 3.619 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.523 9.995 4.085 1.00 0.00 C ATOM 1018 C ASP A 69 -11.762 8.541 4.479 1.00 0.00 C ATOM 1019 O ASP A 69 -12.074 8.244 5.626 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.524 10.415 3.007 1.00 0.00 C ATOM 1021 CG ASP A 69 -12.875 11.888 3.085 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -12.177 12.628 3.812 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -13.847 12.304 2.421 1.00 0.00 O ATOM 0 H ASP A 69 -10.062 10.290 2.610 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.669 10.627 4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.108 10.195 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.433 9.822 3.108 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.606 7.638 3.519 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.807 6.214 3.768 1.00 0.00 C ATOM 1030 C ALA A 70 -10.647 5.600 4.554 1.00 0.00 C ATOM 1031 O ALA A 70 -10.699 4.431 4.933 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.993 5.478 2.449 1.00 0.00 C ATOM 0 H ALA A 70 -11.341 7.865 2.561 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.706 6.109 4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.142 4.416 2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.863 5.878 1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.107 5.612 1.829 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.604 6.386 4.797 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.441 5.907 5.533 1.00 0.00 C ATOM 1040 C LYS A 71 -8.711 5.873 7.029 1.00 0.00 C ATOM 1041 O LYS A 71 -8.364 4.910 7.712 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.241 6.805 5.246 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.465 6.397 4.008 1.00 0.00 C ATOM 1044 CD LYS A 71 -5.061 6.975 4.014 1.00 0.00 C ATOM 1045 CE LYS A 71 -5.056 8.447 3.629 1.00 0.00 C ATOM 1046 NZ LYS A 71 -4.085 8.750 2.542 1.00 0.00 N ATOM 0 H LYS A 71 -9.541 7.358 4.495 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.226 4.891 5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.586 7.832 5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.572 6.790 6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.411 5.310 3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.995 6.735 3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.623 6.857 5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.434 6.415 3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.056 8.739 3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.814 9.047 4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.450 9.515 2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.525 7.900 2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.600 9.047 1.689 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.326 6.935 7.531 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.642 7.042 8.946 1.00 0.00 C ATOM 1062 C VAL A 72 -10.960 6.353 9.269 1.00 0.00 C ATOM 1063 O VAL A 72 -11.067 5.628 10.260 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.712 8.515 9.385 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.408 9.220 9.053 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.888 9.224 8.724 1.00 0.00 C ATOM 0 H VAL A 72 -9.617 7.739 6.974 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.842 6.545 9.494 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.864 8.547 10.464 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.467 10.262 9.368 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.586 8.730 9.575 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.233 9.175 7.978 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.916 10.264 9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.773 9.187 7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.817 8.730 9.008 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.962 6.583 8.429 1.00 0.00 N ATOM 1077 CA GLN A 73 -13.270 5.985 8.628 1.00 0.00 C ATOM 1078 C GLN A 73 -13.161 4.470 8.744 1.00 0.00 C ATOM 1079 O GLN A 73 -13.635 3.881 9.711 1.00 0.00 O ATOM 1080 CB GLN A 73 -14.201 6.362 7.476 1.00 0.00 C ATOM 1081 CG GLN A 73 -14.295 7.862 7.230 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.772 8.641 8.440 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -14.354 8.382 9.567 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -15.649 9.610 8.208 1.00 0.00 N ATOM 0 H GLN A 73 -11.891 7.180 7.605 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.685 6.369 9.560 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.853 5.875 6.565 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.198 5.974 7.684 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.316 8.236 6.929 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.975 8.045 6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.969 9.791 7.257 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.003 10.174 8.981 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.525 3.843 7.758 1.00 0.00 N ATOM 1094 CA GLU A 74 -12.353 2.393 7.759 1.00 0.00 C ATOM 1095 C GLU A 74 -11.535 1.931 8.961 1.00 0.00 C ATOM 1096 O GLU A 74 -11.935 1.014 9.679 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.682 1.934 6.468 1.00 0.00 C ATOM 1098 CG GLU A 74 -11.450 0.432 6.405 1.00 0.00 C ATOM 1099 CD GLU A 74 -12.644 -0.371 6.887 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -13.775 -0.066 6.459 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -12.445 -1.304 7.692 1.00 0.00 O ATOM 0 H GLU A 74 -12.121 4.315 6.949 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.344 1.944 7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.299 2.234 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.725 2.446 6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.218 0.148 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.580 0.178 7.010 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.389 2.568 9.176 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.518 2.215 10.291 1.00 0.00 C ATOM 1110 C ALA A 75 -10.246 2.368 11.621 1.00 0.00 C ATOM 1111 O ALA A 75 -10.160 1.503 12.494 1.00 0.00 O ATOM 1112 CB ALA A 75 -8.261 3.069 10.274 1.00 0.00 C ATOM 0 H ALA A 75 -10.042 3.330 8.594 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.231 1.169 10.179 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.622 2.793 11.113 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.724 2.907 9.340 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.535 4.121 10.357 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.966 3.473 11.770 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.711 3.736 12.991 1.00 0.00 C ATOM 1120 C LEU A 76 -12.952 2.852 13.073 1.00 0.00 C ATOM 1121 O LEU A 76 -13.412 2.513 14.162 1.00 0.00 O ATOM 1122 CB LEU A 76 -12.100 5.213 13.066 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.987 6.148 13.542 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.501 7.574 13.661 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.420 5.670 14.871 1.00 0.00 C ATOM 0 H LEU A 76 -11.049 4.200 11.060 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.071 3.499 13.841 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.430 5.537 12.079 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.953 5.316 13.737 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.186 6.134 12.802 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.695 8.224 14.001 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.857 7.915 12.689 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.321 7.607 14.379 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.629 6.347 15.194 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.212 5.653 15.620 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.012 4.666 14.753 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.484 2.468 11.911 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.663 1.610 11.863 1.00 0.00 C ATOM 1139 C GLU A 77 -14.295 0.182 12.242 1.00 0.00 C ATOM 1140 O GLU A 77 -14.946 -0.435 13.081 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.290 1.626 10.465 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.789 1.875 10.474 1.00 0.00 C ATOM 1143 CD GLU A 77 -17.136 3.350 10.529 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -16.972 4.038 9.500 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -17.571 3.817 11.603 1.00 0.00 O ATOM 0 H GLU A 77 -13.118 2.737 10.998 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.390 1.995 12.578 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.805 2.398 9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.091 0.672 9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.232 1.435 9.581 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.232 1.369 11.332 1.00 0.00 H new ATOM 1152 N VAL A 78 -13.242 -0.332 11.612 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.775 -1.687 11.873 1.00 0.00 C ATOM 1154 C VAL A 78 -12.178 -1.808 13.278 1.00 0.00 C ATOM 1155 O VAL A 78 -11.984 -2.912 13.787 1.00 0.00 O ATOM 1156 CB VAL A 78 -11.737 -2.126 10.816 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -10.513 -1.226 10.850 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -11.341 -3.586 11.003 1.00 0.00 C ATOM 0 H VAL A 78 -12.695 0.173 10.915 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.639 -2.348 11.810 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.202 -2.030 9.835 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.798 -1.556 10.097 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.811 -0.198 10.642 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.051 -1.277 11.836 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.610 -3.865 10.244 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.906 -3.721 11.993 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.224 -4.218 10.905 1.00 0.00 H new ATOM 1168 N LEU A 79 -11.900 -0.668 13.911 1.00 0.00 N ATOM 1169 CA LEU A 79 -11.335 -0.662 15.258 1.00 0.00 C ATOM 1170 C LEU A 79 -12.244 -1.416 16.227 1.00 0.00 C ATOM 1171 O LEU A 79 -11.951 -2.549 16.612 1.00 0.00 O ATOM 1172 CB LEU A 79 -11.122 0.775 15.745 1.00 0.00 C ATOM 1173 CG LEU A 79 -10.117 0.936 16.888 1.00 0.00 C ATOM 1174 CD1 LEU A 79 -9.494 2.322 16.854 1.00 0.00 C ATOM 1175 CD2 LEU A 79 -10.779 0.679 18.233 1.00 0.00 C ATOM 0 H LEU A 79 -12.056 0.258 13.514 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.369 -1.166 15.224 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.789 1.381 14.902 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.082 1.178 16.068 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.327 0.197 16.755 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.782 2.421 17.673 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.978 2.466 15.905 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.275 3.075 16.960 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.044 0.800 19.029 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.593 1.389 18.380 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.175 -0.336 18.256 1.00 0.00 H new ATOM 1187 N ASN A 80 -13.348 -0.783 16.616 1.00 0.00 N ATOM 1188 CA ASN A 80 -14.298 -1.395 17.537 1.00 0.00 C ATOM 1189 C ASN A 80 -15.232 -2.372 16.826 1.00 0.00 C ATOM 1190 O ASN A 80 -16.151 -2.911 17.437 1.00 0.00 O ATOM 1191 CB ASN A 80 -15.114 -0.311 18.247 1.00 0.00 C ATOM 1192 CG ASN A 80 -15.043 -0.428 19.755 1.00 0.00 C ATOM 1193 OD1 ASN A 80 -14.534 -1.414 20.290 1.00 0.00 O ATOM 1194 ND2 ASN A 80 -15.554 0.580 20.449 1.00 0.00 N ATOM 0 H ASN A 80 -13.606 0.154 16.307 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.726 -1.961 18.272 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -14.750 0.671 17.944 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -16.155 -0.377 17.929 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -15.535 0.558 21.469 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -15.966 1.377 19.963 1.00 0.00 H new ATOM 1201 N ARG A 81 -14.988 -2.607 15.540 1.00 0.00 N ATOM 1202 CA ARG A 81 -15.811 -3.531 14.767 1.00 0.00 C ATOM 1203 C ARG A 81 -15.534 -4.980 15.165 1.00 0.00 C ATOM 1204 O ARG A 81 -15.813 -5.906 14.403 1.00 0.00 O ATOM 1205 CB ARG A 81 -15.545 -3.343 13.275 1.00 0.00 C ATOM 1206 CG ARG A 81 -16.760 -2.877 12.493 1.00 0.00 C ATOM 1207 CD ARG A 81 -17.414 -4.028 11.748 1.00 0.00 C ATOM 1208 NE ARG A 81 -16.955 -4.118 10.363 1.00 0.00 N ATOM 1209 CZ ARG A 81 -17.143 -3.166 9.449 1.00 0.00 C ATOM 1210 NH1 ARG A 81 -17.797 -2.053 9.760 1.00 0.00 N ATOM 1211 NH2 ARG A 81 -16.678 -3.333 8.220 1.00 0.00 N ATOM 0 H ARG A 81 -14.230 -2.172 15.013 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.858 -3.313 14.979 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.741 -2.618 13.147 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.194 -4.286 12.856 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.482 -2.425 13.174 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.464 -2.104 11.784 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.196 -4.963 12.263 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -18.496 -3.901 11.763 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.459 -4.963 10.078 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.160 -1.922 10.704 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.937 -1.329 9.055 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.178 -4.188 7.976 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.820 -2.607 7.518 1.00 0.00 H new ATOM 1225 N HIS A 82 -14.983 -5.171 16.360 1.00 0.00 N ATOM 1226 CA HIS A 82 -14.665 -6.495 16.860 1.00 0.00 C ATOM 1227 C HIS A 82 -15.936 -7.245 17.251 1.00 0.00 C ATOM 1228 O HIS A 82 -15.975 -8.475 17.228 1.00 0.00 O ATOM 1229 CB HIS A 82 -13.724 -6.375 18.061 1.00 0.00 C ATOM 1230 CG HIS A 82 -12.380 -6.990 17.826 1.00 0.00 C ATOM 1231 ND1 HIS A 82 -11.892 -8.040 18.576 1.00 0.00 N ATOM 1232 CD2 HIS A 82 -11.420 -6.703 16.915 1.00 0.00 C ATOM 1233 CE1 HIS A 82 -10.691 -8.370 18.137 1.00 0.00 C ATOM 1234 NE2 HIS A 82 -10.381 -7.575 17.132 1.00 0.00 N ATOM 0 H HIS A 82 -14.747 -4.414 17.002 1.00 0.00 H new ATOM 0 HA HIS A 82 -14.170 -7.061 16.071 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -13.595 -5.321 18.308 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -14.187 -6.851 18.925 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -11.463 -5.933 16.159 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.068 -9.158 18.534 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.510 -7.603 16.601 1.00 0.00 H new ATOM 1243 N MET A 83 -16.977 -6.493 17.603 1.00 0.00 N ATOM 1244 CA MET A 83 -18.249 -7.086 17.991 1.00 0.00 C ATOM 1245 C MET A 83 -19.216 -7.107 16.808 1.00 0.00 C ATOM 1246 O MET A 83 -20.232 -6.410 16.807 1.00 0.00 O ATOM 1247 CB MET A 83 -18.859 -6.309 19.163 1.00 0.00 C ATOM 1248 CG MET A 83 -19.356 -7.201 20.290 1.00 0.00 C ATOM 1249 SD MET A 83 -20.826 -6.540 21.101 1.00 0.00 S ATOM 1250 CE MET A 83 -20.405 -6.791 22.823 1.00 0.00 C ATOM 0 H MET A 83 -16.962 -5.473 17.627 1.00 0.00 H new ATOM 0 HA MET A 83 -18.070 -8.114 18.306 1.00 0.00 H new ATOM 0 HB2 MET A 83 -18.113 -5.619 19.558 1.00 0.00 H new ATOM 0 HB3 MET A 83 -19.689 -5.705 18.796 1.00 0.00 H new ATOM 0 HG2 MET A 83 -19.579 -8.191 19.893 1.00 0.00 H new ATOM 0 HG3 MET A 83 -18.563 -7.324 21.028 1.00 0.00 H new ATOM 0 HE1 MET A 83 -21.219 -6.431 23.453 1.00 0.00 H new ATOM 0 HE2 MET A 83 -20.246 -7.853 23.008 1.00 0.00 H new ATOM 0 HE3 MET A 83 -19.493 -6.242 23.059 1.00 0.00 H new ATOM 1260 N ASN A 84 -18.893 -7.914 15.800 1.00 0.00 N ATOM 1261 CA ASN A 84 -19.733 -8.025 14.614 1.00 0.00 C ATOM 1262 C ASN A 84 -20.632 -9.257 14.696 1.00 0.00 C ATOM 1263 O ASN A 84 -21.827 -9.182 14.411 1.00 0.00 O ATOM 1264 CB ASN A 84 -18.870 -8.074 13.348 1.00 0.00 C ATOM 1265 CG ASN A 84 -17.982 -9.299 13.286 1.00 0.00 C ATOM 1266 OD1 ASN A 84 -18.285 -10.263 12.585 1.00 0.00 O ATOM 1267 ND2 ASN A 84 -16.871 -9.265 14.013 1.00 0.00 N ATOM 0 H ASN A 84 -18.057 -8.499 15.782 1.00 0.00 H new ATOM 0 HA ASN A 84 -20.371 -7.142 14.566 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -19.518 -8.057 12.472 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -18.249 -7.179 13.303 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -16.231 -10.059 14.003 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -16.658 -8.445 14.581 1.00 0.00 H new ATOM 1274 N VAL A 85 -20.058 -10.386 15.102 1.00 0.00 N ATOM 1275 CA VAL A 85 -20.821 -11.625 15.235 1.00 0.00 C ATOM 1276 C VAL A 85 -20.405 -12.392 16.487 1.00 0.00 C ATOM 1277 O VAL A 85 -21.165 -13.287 16.910 1.00 0.00 O ATOM 1278 CB VAL A 85 -20.659 -12.538 14.001 1.00 0.00 C ATOM 1279 CG1 VAL A 85 -19.212 -12.981 13.833 1.00 0.00 C ATOM 1280 CG2 VAL A 85 -21.581 -13.743 14.107 1.00 0.00 C ATOM 1281 OXT VAL A 85 -19.323 -12.090 17.032 1.00 0.00 O ATOM 0 H VAL A 85 -19.071 -10.469 15.344 1.00 0.00 H new ATOM 0 HA VAL A 85 -21.869 -11.338 15.317 1.00 0.00 H new ATOM 0 HB VAL A 85 -20.938 -11.965 13.117 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -19.127 -13.623 12.956 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -18.576 -12.105 13.704 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -18.895 -13.532 14.718 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -21.454 -14.376 13.229 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -21.335 -14.312 15.004 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -22.616 -13.405 14.165 1.00 0.00 H new TER 1291 VAL A 85