USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 662 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 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 365 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 89 GLN : amide:sc= -0.326 X(o=-1.8,f=-2.1) USER MOD Set 2.2: A 90 GLN : amide:sc= -1.46! C(o=-1.8!,f=-3.4!) USER MOD Set 3.1: A 57 GLN : amide:sc= 0.441 K(o=0.78,f=-0.95) USER MOD Set 3.2: A 88 GLN : amide:sc= 0.335 K(o=0.78,f=-1.9) USER MOD Set 4.1: A 19 ASN : amide:sc= 1.75 K(o=-0.0055,f=-7.4) USER MOD Set 4.2: A 31 GLN : amide:sc= -1.76! C(o=-0.0055!,f=-5.2!) USER MOD Single : A 17 HIS : no HD1:sc= -0.0303 X(o=-0.03,f=-0.0024) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 1.03 K(o=1,f=-0.29) USER MOD Single : A 28 SER OG : rot -95:sc= 0.942 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.609 K(o=-0.61,f=-2.4!) USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.84 USER MOD Single : A 41 SER OG : rot -135:sc= 1.47 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -161:sc= -0.0184 (180deg=-0.332) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -69:sc= 0.0562 USER MOD Single : A 51 GLN : amide:sc= -0.0764 X(o=-0.076,f=-0.3) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 151:sc= -0.0473 (180deg=-0.759) USER MOD Single : A 65 GLN : amide:sc=-0.00948 X(o=-0.0095,f=-0.0095) USER MOD Single : A 68 ASN : amide:sc= 0.971 K(o=0.97,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.453 USER MOD Single : A 75 GLN : amide:sc= -0.076 K(o=-0.076,f=-0.88) USER MOD Single : A 78 MET CE :methyl 168:sc= 0 (180deg=-0.0945) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0531 USER MOD Single : B 358 ASN : amide:sc= -0.204 K(o=-0.2,f=-1) USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 17 -6.561 12.390 11.843 1.00 10.00 N ATOM 14 CA HIS A 17 -6.205 11.153 11.168 1.00 10.00 C ATOM 15 C HIS A 17 -7.178 10.859 10.032 1.00 10.00 C ATOM 16 O HIS A 17 -8.319 11.327 10.041 1.00 10.00 O ATOM 17 CB HIS A 17 -6.189 9.991 12.165 1.00 10.00 C ATOM 18 CG HIS A 17 -4.944 9.926 13.000 1.00 10.00 C ATOM 19 ND1 HIS A 17 -4.826 10.628 14.178 1.00 10.00 N ATOM 20 CD2 HIS A 17 -3.808 9.224 12.790 1.00 10.00 C ATOM 21 CE1 HIS A 17 -3.626 10.336 14.652 1.00 10.00 C ATOM 22 NE2 HIS A 17 -2.973 9.490 13.846 1.00 10.00 N ATOM 0 HA HIS A 17 -5.207 11.268 10.745 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.053 10.078 12.824 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.298 9.054 11.619 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -3.598 8.577 11.951 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -3.224 10.731 15.573 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.035 9.115 13.989 1.00 10.00 H new ATOM 30 N ILE A 18 -6.722 10.082 9.063 1.00 10.00 N ATOM 31 CA ILE A 18 -7.539 9.732 7.910 1.00 10.00 C ATOM 32 C ILE A 18 -7.742 8.216 7.834 1.00 10.00 C ATOM 33 O ILE A 18 -6.826 7.444 8.127 1.00 10.00 O ATOM 34 CB ILE A 18 -6.897 10.262 6.603 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.783 9.958 5.393 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.501 9.685 6.408 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.320 10.635 4.119 1.00 10.00 C ATOM 0 H ILE A 18 -5.785 9.679 9.051 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.515 10.204 8.027 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.807 11.345 6.692 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.809 8.880 5.233 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.803 10.272 5.612 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -5.073 10.073 5.484 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.869 9.970 7.249 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.561 8.598 6.352 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.994 10.375 3.303 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -7.321 11.716 4.260 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.311 10.302 3.876 1.00 10.00 H new ATOM 49 N ASN A 19 -8.948 7.796 7.466 1.00 10.00 N ATOM 50 CA ASN A 19 -9.268 6.376 7.360 1.00 10.00 C ATOM 51 C ASN A 19 -9.016 5.859 5.951 1.00 10.00 C ATOM 52 O ASN A 19 -9.783 6.143 5.031 1.00 10.00 O ATOM 53 CB ASN A 19 -10.733 6.121 7.731 1.00 10.00 C ATOM 54 CG ASN A 19 -11.003 6.260 9.215 1.00 10.00 C ATOM 55 OD1 ASN A 19 -10.872 5.300 9.976 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.406 7.448 9.632 1.00 10.00 N ATOM 0 H ASN A 19 -9.722 8.420 7.236 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.618 5.845 8.055 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.367 6.820 7.185 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.014 5.118 7.409 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.622 7.596 10.618 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.501 8.216 8.968 1.00 10.00 H new ATOM 63 N LEU A 20 -7.940 5.111 5.781 1.00 10.00 N ATOM 64 CA LEU A 20 -7.608 4.543 4.484 1.00 10.00 C ATOM 65 C LEU A 20 -7.832 3.035 4.504 1.00 10.00 C ATOM 66 O LEU A 20 -7.111 2.301 5.178 1.00 10.00 O ATOM 67 CB LEU A 20 -6.156 4.859 4.113 1.00 10.00 C ATOM 68 CG LEU A 20 -5.831 6.346 3.948 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.353 6.540 3.661 1.00 10.00 C ATOM 70 CD2 LEU A 20 -6.675 6.962 2.843 1.00 10.00 C ATOM 0 H LEU A 20 -7.280 4.882 6.524 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.259 4.988 3.731 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -5.504 4.445 4.882 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -5.917 4.346 3.181 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.070 6.853 4.883 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.141 7.603 3.547 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -3.766 6.140 4.488 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.089 6.017 2.742 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.428 8.019 2.743 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -6.472 6.451 1.902 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -7.731 6.858 3.091 1.00 10.00 H new ATOM 82 N LYS A 21 -8.840 2.576 3.775 1.00 10.00 N ATOM 83 CA LYS A 21 -9.159 1.154 3.727 1.00 10.00 C ATOM 84 C LYS A 21 -8.313 0.441 2.684 1.00 10.00 C ATOM 85 O LYS A 21 -8.195 0.897 1.545 1.00 10.00 O ATOM 86 CB LYS A 21 -10.639 0.935 3.410 1.00 10.00 C ATOM 87 CG LYS A 21 -11.580 1.718 4.304 1.00 10.00 C ATOM 88 CD LYS A 21 -13.026 1.323 4.061 1.00 10.00 C ATOM 89 CE LYS A 21 -13.973 2.071 4.980 1.00 10.00 C ATOM 90 NZ LYS A 21 -15.375 1.605 4.825 1.00 10.00 N ATOM 0 H LYS A 21 -9.450 3.166 3.209 1.00 10.00 H new ATOM 0 HA LYS A 21 -8.939 0.739 4.711 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -10.823 1.213 2.372 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -10.867 -0.127 3.501 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -11.323 1.543 5.349 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -11.456 2.785 4.120 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.289 1.526 3.023 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -13.141 0.250 4.215 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -13.658 1.936 6.015 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -13.919 3.139 4.767 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -15.992 2.140 5.469 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -15.685 1.757 3.844 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -15.431 0.592 5.053 1.00 10.00 H new ATOM 104 N VAL A 22 -7.719 -0.668 3.079 1.00 10.00 N ATOM 105 CA VAL A 22 -6.901 -1.463 2.182 1.00 10.00 C ATOM 106 C VAL A 22 -7.525 -2.844 2.035 1.00 10.00 C ATOM 107 O VAL A 22 -7.552 -3.626 2.988 1.00 10.00 O ATOM 108 CB VAL A 22 -5.451 -1.585 2.699 1.00 10.00 C ATOM 109 CG1 VAL A 22 -4.617 -2.467 1.783 1.00 10.00 C ATOM 110 CG2 VAL A 22 -4.817 -0.209 2.838 1.00 10.00 C ATOM 0 H VAL A 22 -7.789 -1.042 4.025 1.00 10.00 H new ATOM 0 HA VAL A 22 -6.862 -0.967 1.212 1.00 10.00 H new ATOM 0 HB VAL A 22 -5.481 -2.054 3.682 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -3.601 -2.536 2.171 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -5.056 -3.463 1.738 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -4.595 -2.035 0.783 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -3.795 -0.314 3.203 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -4.806 0.286 1.867 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -5.395 0.388 3.543 1.00 10.00 H new ATOM 120 N ALA A 23 -8.042 -3.129 0.850 1.00 10.00 N ATOM 121 CA ALA A 23 -8.695 -4.403 0.597 1.00 10.00 C ATOM 122 C ALA A 23 -7.943 -5.225 -0.436 1.00 10.00 C ATOM 123 O ALA A 23 -7.476 -4.697 -1.451 1.00 10.00 O ATOM 124 CB ALA A 23 -10.128 -4.177 0.144 1.00 10.00 C ATOM 0 H ALA A 23 -8.022 -2.496 0.050 1.00 10.00 H new ATOM 0 HA ALA A 23 -8.696 -4.965 1.531 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -10.607 -5.138 -0.042 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -10.675 -3.644 0.921 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -10.131 -3.587 -0.772 1.00 10.00 H new ATOM 130 N GLY A 24 -7.836 -6.519 -0.171 1.00 10.00 N ATOM 131 CA GLY A 24 -7.146 -7.411 -1.078 1.00 10.00 C ATOM 132 C GLY A 24 -8.101 -8.123 -2.014 1.00 10.00 C ATOM 133 O GLY A 24 -9.215 -7.650 -2.261 1.00 10.00 O ATOM 0 H GLY A 24 -8.218 -6.968 0.661 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -6.422 -6.844 -1.663 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -6.585 -8.148 -0.504 1.00 10.00 H new ATOM 137 N GLN A 25 -7.678 -9.267 -2.527 1.00 10.00 N ATOM 138 CA GLN A 25 -8.503 -10.039 -3.446 1.00 10.00 C ATOM 139 C GLN A 25 -9.288 -11.107 -2.695 1.00 10.00 C ATOM 140 O GLN A 25 -10.136 -11.788 -3.269 1.00 10.00 O ATOM 141 CB GLN A 25 -7.642 -10.683 -4.535 1.00 10.00 C ATOM 142 CG GLN A 25 -6.654 -9.720 -5.178 1.00 10.00 C ATOM 143 CD GLN A 25 -7.322 -8.494 -5.772 1.00 10.00 C ATOM 144 OE1 GLN A 25 -8.435 -8.562 -6.297 1.00 10.00 O ATOM 145 NE2 GLN A 25 -6.649 -7.358 -5.688 1.00 10.00 N ATOM 0 H GLN A 25 -6.769 -9.683 -2.324 1.00 10.00 H new ATOM 0 HA GLN A 25 -9.209 -9.358 -3.921 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -7.093 -11.521 -4.105 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -8.293 -11.092 -5.307 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -5.925 -9.404 -4.432 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -6.103 -10.242 -5.961 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -5.730 -7.341 -5.246 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -7.049 -6.499 -6.065 1.00 10.00 H new ATOM 154 N ASP A 26 -8.995 -11.249 -1.408 1.00 10.00 N ATOM 155 CA ASP A 26 -9.672 -12.228 -0.566 1.00 10.00 C ATOM 156 C ASP A 26 -10.846 -11.576 0.174 1.00 10.00 C ATOM 157 O ASP A 26 -11.897 -11.320 -0.418 1.00 10.00 O ATOM 158 CB ASP A 26 -8.681 -12.871 0.426 1.00 10.00 C ATOM 159 CG ASP A 26 -7.844 -11.854 1.187 1.00 10.00 C ATOM 160 OD1 ASP A 26 -6.930 -11.257 0.583 1.00 10.00 O ATOM 161 OD2 ASP A 26 -8.108 -11.641 2.393 1.00 10.00 O ATOM 0 H ASP A 26 -8.289 -10.695 -0.923 1.00 10.00 H new ATOM 0 HA ASP A 26 -10.069 -13.018 -1.203 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -9.236 -13.481 1.139 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -8.017 -13.543 -0.119 1.00 10.00 H new ATOM 166 N GLY A 27 -10.660 -11.300 1.456 1.00 10.00 N ATOM 167 CA GLY A 27 -11.694 -10.681 2.249 1.00 10.00 C ATOM 168 C GLY A 27 -11.104 -9.933 3.423 1.00 10.00 C ATOM 169 O GLY A 27 -11.607 -10.015 4.544 1.00 10.00 O ATOM 0 H GLY A 27 -9.798 -11.498 1.964 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -12.271 -9.995 1.629 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -12.386 -11.443 2.609 1.00 10.00 H new ATOM 173 N SER A 28 -10.024 -9.215 3.166 1.00 10.00 N ATOM 174 CA SER A 28 -9.348 -8.447 4.196 1.00 10.00 C ATOM 175 C SER A 28 -9.620 -6.961 4.005 1.00 10.00 C ATOM 176 O SER A 28 -9.315 -6.401 2.953 1.00 10.00 O ATOM 177 CB SER A 28 -7.844 -8.726 4.140 1.00 10.00 C ATOM 178 OG SER A 28 -7.435 -9.055 2.821 1.00 10.00 O ATOM 0 H SER A 28 -9.594 -9.148 2.244 1.00 10.00 H new ATOM 0 HA SER A 28 -9.728 -8.744 5.174 1.00 10.00 H new ATOM 0 HB2 SER A 28 -7.295 -7.850 4.487 1.00 10.00 H new ATOM 0 HB3 SER A 28 -7.597 -9.545 4.816 1.00 10.00 H new ATOM 0 HG SER A 28 -7.424 -10.029 2.715 1.00 10.00 H new ATOM 184 N VAL A 29 -10.217 -6.327 5.004 1.00 10.00 N ATOM 185 CA VAL A 29 -10.510 -4.905 4.917 1.00 10.00 C ATOM 186 C VAL A 29 -9.895 -4.187 6.106 1.00 10.00 C ATOM 187 O VAL A 29 -10.573 -3.889 7.088 1.00 10.00 O ATOM 188 CB VAL A 29 -12.028 -4.615 4.869 1.00 10.00 C ATOM 189 CG1 VAL A 29 -12.283 -3.150 4.541 1.00 10.00 C ATOM 190 CG2 VAL A 29 -12.726 -5.521 3.863 1.00 10.00 C ATOM 0 H VAL A 29 -10.505 -6.770 5.876 1.00 10.00 H new ATOM 0 HA VAL A 29 -10.079 -4.540 3.985 1.00 10.00 H new ATOM 0 HB VAL A 29 -12.443 -4.825 5.855 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -13.357 -2.965 4.512 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -11.827 -2.521 5.306 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -11.847 -2.913 3.570 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -13.792 -5.296 3.849 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -12.307 -5.354 2.871 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -12.579 -6.563 4.148 1.00 10.00 H new ATOM 200 N VAL A 30 -8.602 -3.933 6.021 1.00 10.00 N ATOM 201 CA VAL A 30 -7.889 -3.267 7.095 1.00 10.00 C ATOM 202 C VAL A 30 -8.049 -1.754 6.985 1.00 10.00 C ATOM 203 O VAL A 30 -8.140 -1.209 5.880 1.00 10.00 O ATOM 204 CB VAL A 30 -6.393 -3.650 7.103 1.00 10.00 C ATOM 205 CG1 VAL A 30 -6.239 -5.151 7.279 1.00 10.00 C ATOM 206 CG2 VAL A 30 -5.700 -3.190 5.829 1.00 10.00 C ATOM 0 H VAL A 30 -8.023 -4.178 5.218 1.00 10.00 H new ATOM 0 HA VAL A 30 -8.324 -3.600 8.037 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.917 -3.144 7.943 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -5.180 -5.410 7.283 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -6.691 -5.455 8.223 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -6.735 -5.667 6.457 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -4.648 -3.474 5.864 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.174 -3.660 4.967 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -5.781 -2.106 5.742 1.00 10.00 H new ATOM 216 N GLN A 31 -8.091 -1.084 8.126 1.00 10.00 N ATOM 217 CA GLN A 31 -8.266 0.358 8.157 1.00 10.00 C ATOM 218 C GLN A 31 -6.994 1.046 8.634 1.00 10.00 C ATOM 219 O GLN A 31 -6.645 0.987 9.813 1.00 10.00 O ATOM 220 CB GLN A 31 -9.436 0.722 9.075 1.00 10.00 C ATOM 221 CG GLN A 31 -9.973 2.129 8.854 1.00 10.00 C ATOM 222 CD GLN A 31 -11.323 2.136 8.160 1.00 10.00 C ATOM 223 OE1 GLN A 31 -11.652 1.224 7.406 1.00 10.00 O ATOM 224 NE2 GLN A 31 -12.114 3.167 8.414 1.00 10.00 N ATOM 0 H GLN A 31 -8.006 -1.518 9.045 1.00 10.00 H new ATOM 0 HA GLN A 31 -8.483 0.702 7.146 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -10.243 0.006 8.921 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -9.116 0.623 10.112 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -10.060 2.636 9.815 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -9.259 2.697 8.258 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -11.803 3.904 9.047 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -13.034 3.224 7.977 1.00 10.00 H new ATOM 233 N PHE A 32 -6.292 1.685 7.718 1.00 10.00 N ATOM 234 CA PHE A 32 -5.072 2.390 8.064 1.00 10.00 C ATOM 235 C PHE A 32 -5.398 3.807 8.505 1.00 10.00 C ATOM 236 O PHE A 32 -5.672 4.678 7.681 1.00 10.00 O ATOM 237 CB PHE A 32 -4.106 2.415 6.881 1.00 10.00 C ATOM 238 CG PHE A 32 -3.190 1.227 6.825 1.00 10.00 C ATOM 239 CD1 PHE A 32 -3.554 0.085 6.128 1.00 10.00 C ATOM 240 CD2 PHE A 32 -1.963 1.251 7.467 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.711 -1.007 6.072 1.00 10.00 C ATOM 242 CE2 PHE A 32 -1.116 0.162 7.415 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.490 -0.968 6.717 1.00 10.00 C ATOM 0 H PHE A 32 -6.544 1.731 6.731 1.00 10.00 H new ATOM 0 HA PHE A 32 -4.590 1.863 8.887 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -4.680 2.464 5.956 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -3.506 3.323 6.932 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -4.508 0.049 5.623 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -1.665 2.133 8.015 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.006 -1.890 5.525 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -0.162 0.195 7.920 1.00 10.00 H new ATOM 0 HZ PHE A 32 -0.829 -1.821 6.675 1.00 10.00 H new ATOM 253 N LYS A 33 -5.387 4.030 9.809 1.00 10.00 N ATOM 254 CA LYS A 33 -5.683 5.341 10.354 1.00 10.00 C ATOM 255 C LYS A 33 -4.384 6.095 10.605 1.00 10.00 C ATOM 256 O LYS A 33 -3.880 6.151 11.727 1.00 10.00 O ATOM 257 CB LYS A 33 -6.502 5.223 11.642 1.00 10.00 C ATOM 258 CG LYS A 33 -7.041 6.554 12.138 1.00 10.00 C ATOM 259 CD LYS A 33 -8.067 6.372 13.243 1.00 10.00 C ATOM 260 CE LYS A 33 -8.661 7.707 13.664 1.00 10.00 C ATOM 261 NZ LYS A 33 -9.726 7.545 14.688 1.00 10.00 N ATOM 0 H LYS A 33 -5.176 3.318 10.509 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.281 5.897 9.632 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.336 4.542 11.472 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.881 4.778 12.419 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -6.217 7.166 12.505 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.494 7.095 11.307 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -8.861 5.709 12.900 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -7.599 5.891 14.102 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -7.872 8.346 14.060 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -9.072 8.212 12.790 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -10.104 8.479 14.947 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -10.492 6.956 14.302 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -9.329 7.086 15.533 1.00 10.00 H new ATOM 275 N ILE A 34 -3.837 6.649 9.540 1.00 10.00 N ATOM 276 CA ILE A 34 -2.592 7.390 9.616 1.00 10.00 C ATOM 277 C ILE A 34 -2.850 8.876 9.436 1.00 10.00 C ATOM 278 O ILE A 34 -4.000 9.309 9.338 1.00 10.00 O ATOM 279 CB ILE A 34 -1.590 6.914 8.543 1.00 10.00 C ATOM 280 CG1 ILE A 34 -2.191 7.079 7.142 1.00 10.00 C ATOM 281 CG2 ILE A 34 -1.201 5.463 8.795 1.00 10.00 C ATOM 282 CD1 ILE A 34 -1.203 6.825 6.023 1.00 10.00 C ATOM 0 H ILE A 34 -4.239 6.599 8.604 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.161 7.209 10.601 1.00 10.00 H new ATOM 0 HB ILE A 34 -0.691 7.528 8.604 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -3.033 6.395 7.034 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -2.587 8.090 7.043 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -0.494 5.138 8.032 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -0.739 5.376 9.778 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.091 4.835 8.755 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -1.699 6.960 5.062 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.373 7.526 6.105 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -0.825 5.805 6.096 1.00 10.00 H new ATOM 294 N LYS A 35 -1.785 9.656 9.399 1.00 10.00 N ATOM 295 CA LYS A 35 -1.907 11.087 9.220 1.00 10.00 C ATOM 296 C LYS A 35 -1.767 11.421 7.739 1.00 10.00 C ATOM 297 O LYS A 35 -1.174 10.659 6.977 1.00 10.00 O ATOM 298 CB LYS A 35 -0.865 11.820 10.065 1.00 10.00 C ATOM 299 CG LYS A 35 -1.043 11.593 11.561 1.00 10.00 C ATOM 300 CD LYS A 35 0.113 12.168 12.363 1.00 10.00 C ATOM 301 CE LYS A 35 -0.006 11.818 13.836 1.00 10.00 C ATOM 302 NZ LYS A 35 1.154 12.307 14.623 1.00 10.00 N ATOM 0 H LYS A 35 -0.826 9.320 9.491 1.00 10.00 H new ATOM 0 HA LYS A 35 -2.889 11.419 9.558 1.00 10.00 H new ATOM 0 HB2 LYS A 35 0.131 11.491 9.769 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.922 12.888 9.856 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -1.976 12.051 11.889 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -1.126 10.524 11.759 1.00 10.00 H new ATOM 0 HD2 LYS A 35 1.055 11.785 11.972 1.00 10.00 H new ATOM 0 HD3 LYS A 35 0.136 13.251 12.246 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -0.923 12.249 14.237 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -0.088 10.737 13.946 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 1.031 12.046 15.622 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 2.027 11.876 14.258 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 1.218 13.342 14.541 1.00 10.00 H new ATOM 316 N ARG A 36 -2.301 12.564 7.337 1.00 10.00 N ATOM 317 CA ARG A 36 -2.274 12.968 5.933 1.00 10.00 C ATOM 318 C ARG A 36 -0.864 13.273 5.417 1.00 10.00 C ATOM 319 O ARG A 36 -0.649 13.328 4.206 1.00 10.00 O ATOM 320 CB ARG A 36 -3.192 14.168 5.710 1.00 10.00 C ATOM 321 CG ARG A 36 -4.598 13.769 5.291 1.00 10.00 C ATOM 322 CD ARG A 36 -5.460 14.977 4.966 1.00 10.00 C ATOM 323 NE ARG A 36 -6.423 14.680 3.902 1.00 10.00 N ATOM 324 CZ ARG A 36 -7.750 14.704 4.052 1.00 10.00 C ATOM 325 NH1 ARG A 36 -8.294 15.055 5.213 1.00 10.00 N ATOM 326 NH2 ARG A 36 -8.529 14.378 3.033 1.00 10.00 N ATOM 0 H ARG A 36 -2.759 13.230 7.959 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.636 12.116 5.358 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -3.245 14.754 6.628 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -2.760 14.812 4.945 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -4.545 13.117 4.419 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -5.065 13.195 6.091 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -5.993 15.296 5.862 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -4.824 15.808 4.661 1.00 10.00 H new ATOM 0 HE ARG A 36 -6.054 14.438 2.982 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.697 15.309 6.000 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -9.309 15.070 5.317 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -8.115 14.110 2.140 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -9.543 14.394 3.141 1.00 10.00 H new ATOM 340 N HIS A 37 0.092 13.460 6.318 1.00 10.00 N ATOM 341 CA HIS A 37 1.461 13.753 5.903 1.00 10.00 C ATOM 342 C HIS A 37 2.368 12.530 6.080 1.00 10.00 C ATOM 343 O HIS A 37 3.583 12.615 5.901 1.00 10.00 O ATOM 344 CB HIS A 37 2.020 14.976 6.657 1.00 10.00 C ATOM 345 CG HIS A 37 2.292 14.764 8.120 1.00 10.00 C ATOM 346 ND1 HIS A 37 1.522 13.928 8.892 1.00 10.00 N ATOM 347 CD2 HIS A 37 3.255 15.316 8.895 1.00 10.00 C ATOM 348 CE1 HIS A 37 2.029 13.996 10.110 1.00 10.00 C ATOM 349 NE2 HIS A 37 3.079 14.828 10.165 1.00 10.00 N ATOM 0 H HIS A 37 -0.050 13.415 7.327 1.00 10.00 H new ATOM 0 HA HIS A 37 1.441 13.998 4.841 1.00 10.00 H new ATOM 0 HB2 HIS A 37 2.947 15.287 6.174 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.314 15.800 6.552 1.00 10.00 H new ATOM 0 HD2 HIS A 37 4.018 16.010 8.574 1.00 10.00 H new ATOM 0 HE1 HIS A 37 1.645 13.448 10.958 1.00 10.00 H new ATOM 0 HE2 HIS A 37 3.637 15.054 10.989 1.00 10.00 H new ATOM 357 N THR A 38 1.765 11.393 6.419 1.00 10.00 N ATOM 358 CA THR A 38 2.514 10.158 6.606 1.00 10.00 C ATOM 359 C THR A 38 2.759 9.483 5.254 1.00 10.00 C ATOM 360 O THR A 38 1.821 9.255 4.493 1.00 10.00 O ATOM 361 CB THR A 38 1.760 9.192 7.543 1.00 10.00 C ATOM 362 OG1 THR A 38 1.352 9.896 8.726 1.00 10.00 O ATOM 363 CG2 THR A 38 2.635 8.009 7.931 1.00 10.00 C ATOM 0 H THR A 38 0.760 11.304 6.569 1.00 10.00 H new ATOM 0 HA THR A 38 3.471 10.407 7.065 1.00 10.00 H new ATOM 0 HB THR A 38 0.886 8.812 7.014 1.00 10.00 H new ATOM 0 HG1 THR A 38 1.167 9.253 9.442 1.00 10.00 H new ATOM 0 HG21 THR A 38 2.077 7.345 8.592 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.930 7.465 7.034 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.526 8.369 8.446 1.00 10.00 H new ATOM 371 N PRO A 39 4.027 9.181 4.929 1.00 10.00 N ATOM 372 CA PRO A 39 4.391 8.539 3.658 1.00 10.00 C ATOM 373 C PRO A 39 3.642 7.230 3.419 1.00 10.00 C ATOM 374 O PRO A 39 3.619 6.343 4.280 1.00 10.00 O ATOM 375 CB PRO A 39 5.889 8.268 3.809 1.00 10.00 C ATOM 376 CG PRO A 39 6.357 9.245 4.826 1.00 10.00 C ATOM 377 CD PRO A 39 5.209 9.454 5.766 1.00 10.00 C ATOM 0 HA PRO A 39 4.137 9.170 2.806 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.074 7.243 4.132 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.412 8.403 2.862 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.230 8.866 5.357 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.652 10.184 4.357 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.261 8.779 6.620 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.194 10.469 6.163 1.00 10.00 H new ATOM 385 N LEU A 40 3.044 7.103 2.238 1.00 10.00 N ATOM 386 CA LEU A 40 2.291 5.905 1.882 1.00 10.00 C ATOM 387 C LEU A 40 3.223 4.713 1.701 1.00 10.00 C ATOM 388 O LEU A 40 2.783 3.563 1.695 1.00 10.00 O ATOM 389 CB LEU A 40 1.476 6.143 0.608 1.00 10.00 C ATOM 390 CG LEU A 40 0.235 7.021 0.791 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.409 7.318 -0.552 1.00 10.00 C ATOM 392 CD2 LEU A 40 -0.766 6.352 1.725 1.00 10.00 C ATOM 0 H LEU A 40 3.067 7.817 1.510 1.00 10.00 H new ATOM 0 HA LEU A 40 1.604 5.681 2.698 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.123 6.604 -0.139 1.00 10.00 H new ATOM 0 HB3 LEU A 40 1.165 5.178 0.208 1.00 10.00 H new ATOM 0 HG LEU A 40 0.547 7.963 1.242 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.289 7.943 -0.403 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.304 7.841 -1.190 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.704 6.383 -1.029 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.640 6.993 1.841 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.072 5.394 1.305 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.303 6.190 2.698 1.00 10.00 H new ATOM 404 N SER A 41 4.512 4.998 1.563 1.00 10.00 N ATOM 405 CA SER A 41 5.518 3.963 1.405 1.00 10.00 C ATOM 406 C SER A 41 5.559 3.080 2.649 1.00 10.00 C ATOM 407 O SER A 41 5.661 1.854 2.557 1.00 10.00 O ATOM 408 CB SER A 41 6.876 4.614 1.168 1.00 10.00 C ATOM 409 OG SER A 41 6.804 6.010 1.417 1.00 10.00 O ATOM 0 H SER A 41 4.885 5.948 1.558 1.00 10.00 H new ATOM 0 HA SER A 41 5.267 3.337 0.548 1.00 10.00 H new ATOM 0 HB2 SER A 41 7.623 4.160 1.819 1.00 10.00 H new ATOM 0 HB3 SER A 41 7.198 4.437 0.142 1.00 10.00 H new ATOM 0 HG SER A 41 7.261 6.495 0.698 1.00 10.00 H new ATOM 415 N LYS A 42 5.448 3.714 3.811 1.00 10.00 N ATOM 416 CA LYS A 42 5.456 3.000 5.078 1.00 10.00 C ATOM 417 C LYS A 42 4.161 2.212 5.234 1.00 10.00 C ATOM 418 O LYS A 42 4.143 1.143 5.844 1.00 10.00 O ATOM 419 CB LYS A 42 5.643 3.979 6.240 1.00 10.00 C ATOM 420 CG LYS A 42 7.084 4.073 6.726 1.00 10.00 C ATOM 421 CD LYS A 42 7.446 5.483 7.165 1.00 10.00 C ATOM 422 CE LYS A 42 8.789 5.513 7.880 1.00 10.00 C ATOM 423 NZ LYS A 42 9.399 6.872 7.879 1.00 10.00 N ATOM 0 H LYS A 42 5.351 4.726 3.899 1.00 10.00 H new ATOM 0 HA LYS A 42 6.292 2.301 5.089 1.00 10.00 H new ATOM 0 HB2 LYS A 42 5.307 4.968 5.930 1.00 10.00 H new ATOM 0 HB3 LYS A 42 5.007 3.672 7.070 1.00 10.00 H new ATOM 0 HG2 LYS A 42 7.231 3.385 7.558 1.00 10.00 H new ATOM 0 HG3 LYS A 42 7.757 3.757 5.929 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.480 6.139 6.295 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.671 5.870 7.826 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.658 5.176 8.908 1.00 10.00 H new ATOM 0 HE3 LYS A 42 9.470 4.811 7.399 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 10.312 6.843 8.377 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 9.549 7.184 6.898 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 8.763 7.539 8.361 1.00 10.00 H new ATOM 437 N LEU A 43 3.085 2.743 4.659 1.00 10.00 N ATOM 438 CA LEU A 43 1.783 2.085 4.703 1.00 10.00 C ATOM 439 C LEU A 43 1.853 0.768 3.939 1.00 10.00 C ATOM 440 O LEU A 43 1.334 -0.257 4.387 1.00 10.00 O ATOM 441 CB LEU A 43 0.702 2.999 4.101 1.00 10.00 C ATOM 442 CG LEU A 43 -0.712 2.407 4.032 1.00 10.00 C ATOM 443 CD1 LEU A 43 -1.747 3.477 4.336 1.00 10.00 C ATOM 444 CD2 LEU A 43 -0.976 1.794 2.660 1.00 10.00 C ATOM 0 H LEU A 43 3.090 3.630 4.156 1.00 10.00 H new ATOM 0 HA LEU A 43 1.518 1.882 5.741 1.00 10.00 H new ATOM 0 HB2 LEU A 43 0.663 3.917 4.687 1.00 10.00 H new ATOM 0 HB3 LEU A 43 1.009 3.277 3.093 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.789 1.619 4.781 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -2.745 3.043 4.283 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -1.576 3.874 5.336 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -1.663 4.282 3.606 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -1.984 1.380 2.634 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -0.879 2.563 1.893 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -0.253 1.000 2.471 1.00 10.00 H new ATOM 456 N MET A 44 2.514 0.811 2.786 1.00 10.00 N ATOM 457 CA MET A 44 2.682 -0.368 1.948 1.00 10.00 C ATOM 458 C MET A 44 3.454 -1.443 2.695 1.00 10.00 C ATOM 459 O MET A 44 3.035 -2.601 2.759 1.00 10.00 O ATOM 460 CB MET A 44 3.446 -0.020 0.670 1.00 10.00 C ATOM 461 CG MET A 44 2.763 1.003 -0.216 1.00 10.00 C ATOM 462 SD MET A 44 3.744 1.385 -1.679 1.00 10.00 S ATOM 463 CE MET A 44 2.838 2.777 -2.340 1.00 10.00 C ATOM 0 H MET A 44 2.944 1.656 2.410 1.00 10.00 H new ATOM 0 HA MET A 44 1.689 -0.735 1.691 1.00 10.00 H new ATOM 0 HB2 MET A 44 4.432 0.356 0.943 1.00 10.00 H new ATOM 0 HB3 MET A 44 3.601 -0.933 0.095 1.00 10.00 H new ATOM 0 HG2 MET A 44 1.787 0.625 -0.521 1.00 10.00 H new ATOM 0 HG3 MET A 44 2.588 1.916 0.352 1.00 10.00 H new ATOM 0 HE1 MET A 44 3.098 2.915 -3.389 1.00 10.00 H new ATOM 0 HE2 MET A 44 1.768 2.589 -2.253 1.00 10.00 H new ATOM 0 HE3 MET A 44 3.095 3.677 -1.781 1.00 10.00 H new ATOM 473 N LYS A 45 4.576 -1.038 3.275 1.00 10.00 N ATOM 474 CA LYS A 45 5.435 -1.950 4.012 1.00 10.00 C ATOM 475 C LYS A 45 4.714 -2.534 5.221 1.00 10.00 C ATOM 476 O LYS A 45 4.868 -3.716 5.519 1.00 10.00 O ATOM 477 CB LYS A 45 6.719 -1.240 4.440 1.00 10.00 C ATOM 478 CG LYS A 45 7.547 -0.744 3.266 1.00 10.00 C ATOM 479 CD LYS A 45 9.003 -0.546 3.645 1.00 10.00 C ATOM 480 CE LYS A 45 9.837 -0.138 2.441 1.00 10.00 C ATOM 481 NZ LYS A 45 11.295 -0.210 2.721 1.00 10.00 N ATOM 0 H LYS A 45 4.913 -0.076 3.248 1.00 10.00 H new ATOM 0 HA LYS A 45 5.696 -2.777 3.351 1.00 10.00 H new ATOM 0 HB2 LYS A 45 6.464 -0.395 5.079 1.00 10.00 H new ATOM 0 HB3 LYS A 45 7.322 -1.922 5.039 1.00 10.00 H new ATOM 0 HG2 LYS A 45 7.479 -1.459 2.446 1.00 10.00 H new ATOM 0 HG3 LYS A 45 7.135 0.198 2.903 1.00 10.00 H new ATOM 0 HD2 LYS A 45 9.079 0.218 4.418 1.00 10.00 H new ATOM 0 HD3 LYS A 45 9.399 -1.469 4.069 1.00 10.00 H new ATOM 0 HE2 LYS A 45 9.598 -0.786 1.598 1.00 10.00 H new ATOM 0 HE3 LYS A 45 9.575 0.878 2.146 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 11.826 0.076 1.874 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 11.529 0.428 3.508 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 11.552 -1.185 2.977 1.00 10.00 H new ATOM 495 N ALA A 46 3.918 -1.714 5.903 1.00 10.00 N ATOM 496 CA ALA A 46 3.169 -2.173 7.070 1.00 10.00 C ATOM 497 C ALA A 46 2.282 -3.362 6.708 1.00 10.00 C ATOM 498 O ALA A 46 2.281 -4.385 7.396 1.00 10.00 O ATOM 499 CB ALA A 46 2.333 -1.040 7.648 1.00 10.00 C ATOM 0 H ALA A 46 3.775 -0.732 5.669 1.00 10.00 H new ATOM 0 HA ALA A 46 3.882 -2.496 7.828 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.782 -1.401 8.517 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.987 -0.221 7.948 1.00 10.00 H new ATOM 0 HB3 ALA A 46 1.630 -0.685 6.894 1.00 10.00 H new ATOM 505 N TYR A 47 1.545 -3.230 5.612 1.00 10.00 N ATOM 506 CA TYR A 47 0.667 -4.296 5.150 1.00 10.00 C ATOM 507 C TYR A 47 1.496 -5.478 4.648 1.00 10.00 C ATOM 508 O TYR A 47 1.195 -6.634 4.948 1.00 10.00 O ATOM 509 CB TYR A 47 -0.254 -3.777 4.037 1.00 10.00 C ATOM 510 CG TYR A 47 -1.337 -4.753 3.618 1.00 10.00 C ATOM 511 CD1 TYR A 47 -1.320 -5.344 2.360 1.00 10.00 C ATOM 512 CD2 TYR A 47 -2.378 -5.079 4.481 1.00 10.00 C ATOM 513 CE1 TYR A 47 -2.308 -6.231 1.974 1.00 10.00 C ATOM 514 CE2 TYR A 47 -3.369 -5.967 4.102 1.00 10.00 C ATOM 515 CZ TYR A 47 -3.330 -6.539 2.848 1.00 10.00 C ATOM 516 OH TYR A 47 -4.316 -7.424 2.466 1.00 10.00 O ATOM 0 H TYR A 47 1.538 -2.395 5.027 1.00 10.00 H new ATOM 0 HA TYR A 47 0.050 -4.632 5.983 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -0.724 -2.852 4.372 1.00 10.00 H new ATOM 0 HB3 TYR A 47 0.352 -3.529 3.166 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -0.522 -5.106 1.673 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -2.413 -4.632 5.463 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -2.280 -6.681 0.993 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -4.169 -6.211 4.785 1.00 10.00 H new ATOM 0 HH TYR A 47 -4.959 -7.533 3.197 1.00 10.00 H new ATOM 526 N CYS A 48 2.558 -5.166 3.913 1.00 10.00 N ATOM 527 CA CYS A 48 3.447 -6.180 3.351 1.00 10.00 C ATOM 528 C CYS A 48 4.066 -7.054 4.441 1.00 10.00 C ATOM 529 O CYS A 48 4.074 -8.281 4.335 1.00 10.00 O ATOM 530 CB CYS A 48 4.554 -5.503 2.543 1.00 10.00 C ATOM 531 SG CYS A 48 5.277 -6.545 1.263 1.00 10.00 S ATOM 0 H CYS A 48 2.827 -4.208 3.690 1.00 10.00 H new ATOM 0 HA CYS A 48 2.853 -6.824 2.702 1.00 10.00 H new ATOM 0 HB2 CYS A 48 4.151 -4.603 2.078 1.00 10.00 H new ATOM 0 HB3 CYS A 48 5.343 -5.184 3.224 1.00 10.00 H new ATOM 0 HG CYS A 48 5.967 -7.497 1.817 1.00 10.00 H new ATOM 537 N GLU A 49 4.578 -6.414 5.487 1.00 10.00 N ATOM 538 CA GLU A 49 5.203 -7.117 6.603 1.00 10.00 C ATOM 539 C GLU A 49 4.221 -8.058 7.286 1.00 10.00 C ATOM 540 O GLU A 49 4.566 -9.186 7.633 1.00 10.00 O ATOM 541 CB GLU A 49 5.743 -6.112 7.620 1.00 10.00 C ATOM 542 CG GLU A 49 7.001 -5.396 7.160 1.00 10.00 C ATOM 543 CD GLU A 49 8.214 -6.301 7.165 1.00 10.00 C ATOM 544 OE1 GLU A 49 8.818 -6.480 8.243 1.00 10.00 O ATOM 545 OE2 GLU A 49 8.576 -6.828 6.094 1.00 10.00 O ATOM 0 H GLU A 49 4.572 -5.399 5.586 1.00 10.00 H new ATOM 0 HA GLU A 49 6.025 -7.712 6.204 1.00 10.00 H new ATOM 0 HB2 GLU A 49 4.971 -5.372 7.832 1.00 10.00 H new ATOM 0 HB3 GLU A 49 5.952 -6.631 8.555 1.00 10.00 H new ATOM 0 HG2 GLU A 49 6.846 -5.006 6.154 1.00 10.00 H new ATOM 0 HG3 GLU A 49 7.187 -4.540 7.809 1.00 10.00 H new ATOM 552 N ARG A 50 2.995 -7.589 7.469 1.00 10.00 N ATOM 553 CA ARG A 50 1.959 -8.387 8.113 1.00 10.00 C ATOM 554 C ARG A 50 1.599 -9.609 7.274 1.00 10.00 C ATOM 555 O ARG A 50 1.286 -10.670 7.810 1.00 10.00 O ATOM 556 CB ARG A 50 0.720 -7.538 8.352 1.00 10.00 C ATOM 557 CG ARG A 50 0.887 -6.513 9.458 1.00 10.00 C ATOM 558 CD ARG A 50 -0.218 -5.477 9.415 1.00 10.00 C ATOM 559 NE ARG A 50 -1.514 -6.066 9.064 1.00 10.00 N ATOM 560 CZ ARG A 50 -2.675 -5.669 9.577 1.00 10.00 C ATOM 561 NH1 ARG A 50 -2.703 -4.737 10.515 1.00 10.00 N ATOM 562 NH2 ARG A 50 -3.808 -6.225 9.169 1.00 10.00 N ATOM 0 H ARG A 50 2.692 -6.659 7.181 1.00 10.00 H new ATOM 0 HA ARG A 50 2.349 -8.736 9.069 1.00 10.00 H new ATOM 0 HB2 ARG A 50 0.460 -7.023 7.427 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -0.116 -8.192 8.598 1.00 10.00 H new ATOM 0 HG2 ARG A 50 0.882 -7.014 10.426 1.00 10.00 H new ATOM 0 HG3 ARG A 50 1.855 -6.021 9.359 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -0.294 -4.988 10.386 1.00 10.00 H new ATOM 0 HD3 ARG A 50 0.037 -4.705 8.689 1.00 10.00 H new ATOM 0 HE ARG A 50 -1.526 -6.827 8.385 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -1.833 -4.321 10.847 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -3.595 -4.434 10.907 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -3.790 -6.959 8.461 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -4.697 -5.919 9.564 1.00 10.00 H new ATOM 576 N GLN A 51 1.636 -9.453 5.959 1.00 10.00 N ATOM 577 CA GLN A 51 1.322 -10.550 5.054 1.00 10.00 C ATOM 578 C GLN A 51 2.514 -11.493 4.926 1.00 10.00 C ATOM 579 O GLN A 51 2.356 -12.669 4.610 1.00 10.00 O ATOM 580 CB GLN A 51 0.920 -10.013 3.679 1.00 10.00 C ATOM 581 CG GLN A 51 -0.331 -9.146 3.709 1.00 10.00 C ATOM 582 CD GLN A 51 -1.562 -9.906 4.167 1.00 10.00 C ATOM 583 OE1 GLN A 51 -1.824 -10.024 5.365 1.00 10.00 O ATOM 584 NE2 GLN A 51 -2.337 -10.411 3.218 1.00 10.00 N ATOM 0 H GLN A 51 1.880 -8.578 5.495 1.00 10.00 H new ATOM 0 HA GLN A 51 0.481 -11.107 5.468 1.00 10.00 H new ATOM 0 HB2 GLN A 51 1.746 -9.432 3.269 1.00 10.00 H new ATOM 0 HB3 GLN A 51 0.755 -10.853 3.004 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -0.164 -8.299 4.374 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -0.510 -8.740 2.714 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -2.085 -10.292 2.237 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -3.185 -10.919 3.469 1.00 10.00 H new ATOM 593 N GLY A 52 3.704 -10.964 5.186 1.00 10.00 N ATOM 594 CA GLY A 52 4.912 -11.760 5.101 1.00 10.00 C ATOM 595 C GLY A 52 5.396 -11.899 3.673 1.00 10.00 C ATOM 596 O GLY A 52 6.058 -12.876 3.321 1.00 10.00 O ATOM 0 H GLY A 52 3.853 -9.992 5.456 1.00 10.00 H new ATOM 0 HA2 GLY A 52 5.693 -11.300 5.706 1.00 10.00 H new ATOM 0 HA3 GLY A 52 4.725 -12.749 5.519 1.00 10.00 H new ATOM 600 N LEU A 53 5.073 -10.913 2.853 1.00 10.00 N ATOM 601 CA LEU A 53 5.461 -10.926 1.452 1.00 10.00 C ATOM 602 C LEU A 53 6.491 -9.841 1.172 1.00 10.00 C ATOM 603 O LEU A 53 6.760 -8.992 2.025 1.00 10.00 O ATOM 604 CB LEU A 53 4.231 -10.716 0.563 1.00 10.00 C ATOM 605 CG LEU A 53 3.161 -11.807 0.663 1.00 10.00 C ATOM 606 CD1 LEU A 53 1.859 -11.336 0.033 1.00 10.00 C ATOM 607 CD2 LEU A 53 3.642 -13.090 -0.001 1.00 10.00 C ATOM 0 H LEU A 53 4.541 -10.090 3.135 1.00 10.00 H new ATOM 0 HA LEU A 53 5.905 -11.896 1.227 1.00 10.00 H new ATOM 0 HB2 LEU A 53 3.776 -9.759 0.819 1.00 10.00 H new ATOM 0 HB3 LEU A 53 4.560 -10.646 -0.474 1.00 10.00 H new ATOM 0 HG LEU A 53 2.978 -12.014 1.718 1.00 10.00 H new ATOM 0 HD11 LEU A 53 1.110 -12.124 0.113 1.00 10.00 H new ATOM 0 HD12 LEU A 53 1.505 -10.445 0.552 1.00 10.00 H new ATOM 0 HD13 LEU A 53 2.027 -11.101 -1.018 1.00 10.00 H new ATOM 0 HD21 LEU A 53 2.869 -13.854 0.080 1.00 10.00 H new ATOM 0 HD22 LEU A 53 3.854 -12.898 -1.053 1.00 10.00 H new ATOM 0 HD23 LEU A 53 4.549 -13.438 0.494 1.00 10.00 H new ATOM 619 N SER A 54 7.065 -9.881 -0.019 1.00 10.00 N ATOM 620 CA SER A 54 8.054 -8.899 -0.430 1.00 10.00 C ATOM 621 C SER A 54 7.360 -7.718 -1.089 1.00 10.00 C ATOM 622 O SER A 54 6.409 -7.900 -1.856 1.00 10.00 O ATOM 623 CB SER A 54 9.056 -9.530 -1.401 1.00 10.00 C ATOM 624 OG SER A 54 10.023 -8.586 -1.830 1.00 10.00 O ATOM 0 H SER A 54 6.860 -10.590 -0.724 1.00 10.00 H new ATOM 0 HA SER A 54 8.595 -8.550 0.450 1.00 10.00 H new ATOM 0 HB2 SER A 54 9.555 -10.370 -0.917 1.00 10.00 H new ATOM 0 HB3 SER A 54 8.526 -9.929 -2.266 1.00 10.00 H new ATOM 0 HG SER A 54 10.650 -9.017 -2.447 1.00 10.00 H new ATOM 630 N MET A 55 7.834 -6.512 -0.793 1.00 10.00 N ATOM 631 CA MET A 55 7.253 -5.299 -1.359 1.00 10.00 C ATOM 632 C MET A 55 7.429 -5.269 -2.874 1.00 10.00 C ATOM 633 O MET A 55 6.686 -4.598 -3.584 1.00 10.00 O ATOM 634 CB MET A 55 7.894 -4.058 -0.733 1.00 10.00 C ATOM 635 CG MET A 55 7.270 -2.746 -1.192 1.00 10.00 C ATOM 636 SD MET A 55 8.104 -1.301 -0.508 1.00 10.00 S ATOM 637 CE MET A 55 7.154 0.019 -1.259 1.00 10.00 C ATOM 0 H MET A 55 8.620 -6.348 -0.164 1.00 10.00 H new ATOM 0 HA MET A 55 6.186 -5.298 -1.134 1.00 10.00 H new ATOM 0 HB2 MET A 55 7.814 -4.127 0.352 1.00 10.00 H new ATOM 0 HB3 MET A 55 8.957 -4.048 -0.975 1.00 10.00 H new ATOM 0 HG2 MET A 55 7.299 -2.696 -2.280 1.00 10.00 H new ATOM 0 HG3 MET A 55 6.220 -2.726 -0.900 1.00 10.00 H new ATOM 0 HE1 MET A 55 7.162 0.891 -0.605 1.00 10.00 H new ATOM 0 HE2 MET A 55 7.594 0.283 -2.221 1.00 10.00 H new ATOM 0 HE3 MET A 55 6.126 -0.312 -1.409 1.00 10.00 H new ATOM 647 N ARG A 56 8.402 -6.025 -3.367 1.00 10.00 N ATOM 648 CA ARG A 56 8.669 -6.083 -4.794 1.00 10.00 C ATOM 649 C ARG A 56 7.705 -7.043 -5.491 1.00 10.00 C ATOM 650 O ARG A 56 7.653 -7.103 -6.719 1.00 10.00 O ATOM 651 CB ARG A 56 10.115 -6.520 -5.031 1.00 10.00 C ATOM 652 CG ARG A 56 10.647 -6.159 -6.409 1.00 10.00 C ATOM 653 CD ARG A 56 12.124 -6.491 -6.537 1.00 10.00 C ATOM 654 NE ARG A 56 12.635 -6.224 -7.881 1.00 10.00 N ATOM 655 CZ ARG A 56 13.162 -5.061 -8.266 1.00 10.00 C ATOM 656 NH1 ARG A 56 13.226 -4.040 -7.420 1.00 10.00 N ATOM 657 NH2 ARG A 56 13.618 -4.915 -9.504 1.00 10.00 N ATOM 0 H ARG A 56 9.018 -6.606 -2.798 1.00 10.00 H new ATOM 0 HA ARG A 56 8.520 -5.089 -5.216 1.00 10.00 H new ATOM 0 HB2 ARG A 56 10.752 -6.062 -4.274 1.00 10.00 H new ATOM 0 HB3 ARG A 56 10.185 -7.599 -4.896 1.00 10.00 H new ATOM 0 HG2 ARG A 56 10.084 -6.698 -7.171 1.00 10.00 H new ATOM 0 HG3 ARG A 56 10.494 -5.095 -6.593 1.00 10.00 H new ATOM 0 HD2 ARG A 56 12.690 -5.907 -5.812 1.00 10.00 H new ATOM 0 HD3 ARG A 56 12.281 -7.541 -6.292 1.00 10.00 H new ATOM 0 HE ARG A 56 12.585 -6.976 -8.568 1.00 10.00 H new ATOM 0 HH11 ARG A 56 12.871 -4.142 -6.469 1.00 10.00 H new ATOM 0 HH12 ARG A 56 13.630 -3.153 -7.721 1.00 10.00 H new ATOM 0 HH21 ARG A 56 13.565 -5.693 -10.162 1.00 10.00 H new ATOM 0 HH22 ARG A 56 14.021 -4.025 -9.797 1.00 10.00 H new ATOM 671 N GLN A 57 6.915 -7.768 -4.705 1.00 10.00 N ATOM 672 CA GLN A 57 5.964 -8.729 -5.258 1.00 10.00 C ATOM 673 C GLN A 57 4.555 -8.143 -5.370 1.00 10.00 C ATOM 674 O GLN A 57 3.861 -8.370 -6.361 1.00 10.00 O ATOM 675 CB GLN A 57 5.938 -10.000 -4.405 1.00 10.00 C ATOM 676 CG GLN A 57 5.013 -11.086 -4.943 1.00 10.00 C ATOM 677 CD GLN A 57 5.159 -12.399 -4.198 1.00 10.00 C ATOM 678 OE1 GLN A 57 6.239 -12.738 -3.715 1.00 10.00 O ATOM 679 NE2 GLN A 57 4.072 -13.151 -4.104 1.00 10.00 N ATOM 0 H GLN A 57 6.913 -7.710 -3.687 1.00 10.00 H new ATOM 0 HA GLN A 57 6.299 -8.975 -6.266 1.00 10.00 H new ATOM 0 HB2 GLN A 57 6.950 -10.400 -4.335 1.00 10.00 H new ATOM 0 HB3 GLN A 57 5.627 -9.740 -3.393 1.00 10.00 H new ATOM 0 HG2 GLN A 57 3.980 -10.746 -4.873 1.00 10.00 H new ATOM 0 HG3 GLN A 57 5.224 -11.247 -6.000 1.00 10.00 H new ATOM 0 HE21 GLN A 57 3.195 -12.834 -4.518 1.00 10.00 H new ATOM 0 HE22 GLN A 57 4.112 -14.047 -3.617 1.00 10.00 H new ATOM 688 N ILE A 58 4.130 -7.388 -4.365 1.00 10.00 N ATOM 689 CA ILE A 58 2.795 -6.801 -4.380 1.00 10.00 C ATOM 690 C ILE A 58 2.811 -5.381 -4.943 1.00 10.00 C ATOM 691 O ILE A 58 3.857 -4.738 -5.008 1.00 10.00 O ATOM 692 CB ILE A 58 2.154 -6.789 -2.973 1.00 10.00 C ATOM 693 CG1 ILE A 58 3.062 -6.081 -1.965 1.00 10.00 C ATOM 694 CG2 ILE A 58 1.852 -8.210 -2.519 1.00 10.00 C ATOM 695 CD1 ILE A 58 2.428 -5.902 -0.601 1.00 10.00 C ATOM 0 H ILE A 58 4.683 -7.169 -3.537 1.00 10.00 H new ATOM 0 HA ILE A 58 2.191 -7.433 -5.032 1.00 10.00 H new ATOM 0 HB ILE A 58 1.217 -6.235 -3.027 1.00 10.00 H new ATOM 0 HG12 ILE A 58 3.984 -6.651 -1.856 1.00 10.00 H new ATOM 0 HG13 ILE A 58 3.337 -5.103 -2.360 1.00 10.00 H new ATOM 0 HG21 ILE A 58 1.401 -8.187 -1.527 1.00 10.00 H new ATOM 0 HG22 ILE A 58 1.161 -8.677 -3.221 1.00 10.00 H new ATOM 0 HG23 ILE A 58 2.777 -8.785 -2.484 1.00 10.00 H new ATOM 0 HD11 ILE A 58 3.128 -5.393 0.062 1.00 10.00 H new ATOM 0 HD12 ILE A 58 1.521 -5.306 -0.697 1.00 10.00 H new ATOM 0 HD13 ILE A 58 2.178 -6.878 -0.185 1.00 10.00 H new ATOM 707 N ARG A 59 1.647 -4.911 -5.372 1.00 10.00 N ATOM 708 CA ARG A 59 1.509 -3.572 -5.935 1.00 10.00 C ATOM 709 C ARG A 59 0.297 -2.872 -5.336 1.00 10.00 C ATOM 710 O ARG A 59 -0.719 -3.511 -5.062 1.00 10.00 O ATOM 711 CB ARG A 59 1.360 -3.631 -7.457 1.00 10.00 C ATOM 712 CG ARG A 59 2.583 -4.169 -8.180 1.00 10.00 C ATOM 713 CD ARG A 59 3.801 -3.282 -7.961 1.00 10.00 C ATOM 714 NE ARG A 59 4.963 -3.766 -8.700 1.00 10.00 N ATOM 715 CZ ARG A 59 5.808 -4.689 -8.244 1.00 10.00 C ATOM 716 NH1 ARG A 59 5.654 -5.195 -7.028 1.00 10.00 N ATOM 717 NH2 ARG A 59 6.818 -5.099 -8.997 1.00 10.00 N ATOM 0 H ARG A 59 0.777 -5.442 -5.341 1.00 10.00 H new ATOM 0 HA ARG A 59 2.411 -3.011 -5.692 1.00 10.00 H new ATOM 0 HB2 ARG A 59 0.502 -4.256 -7.703 1.00 10.00 H new ATOM 0 HB3 ARG A 59 1.143 -2.630 -7.829 1.00 10.00 H new ATOM 0 HG2 ARG A 59 2.799 -5.178 -7.828 1.00 10.00 H new ATOM 0 HG3 ARG A 59 2.373 -4.242 -9.247 1.00 10.00 H new ATOM 0 HD2 ARG A 59 3.570 -2.264 -8.273 1.00 10.00 H new ATOM 0 HD3 ARG A 59 4.037 -3.244 -6.897 1.00 10.00 H new ATOM 0 HE ARG A 59 5.139 -3.372 -9.624 1.00 10.00 H new ATOM 0 HH11 ARG A 59 4.886 -4.878 -6.437 1.00 10.00 H new ATOM 0 HH12 ARG A 59 6.304 -5.902 -6.684 1.00 10.00 H new ATOM 0 HH21 ARG A 59 6.951 -4.708 -9.930 1.00 10.00 H new ATOM 0 HH22 ARG A 59 7.463 -5.806 -8.644 1.00 10.00 H new ATOM 731 N PHE A 60 0.406 -1.565 -5.142 1.00 10.00 N ATOM 732 CA PHE A 60 -0.687 -0.782 -4.577 1.00 10.00 C ATOM 733 C PHE A 60 -1.208 0.219 -5.601 1.00 10.00 C ATOM 734 O PHE A 60 -0.429 0.945 -6.226 1.00 10.00 O ATOM 735 CB PHE A 60 -0.226 -0.048 -3.313 1.00 10.00 C ATOM 736 CG PHE A 60 0.005 -0.952 -2.131 1.00 10.00 C ATOM 737 CD1 PHE A 60 1.169 -1.698 -2.028 1.00 10.00 C ATOM 738 CD2 PHE A 60 -0.940 -1.051 -1.124 1.00 10.00 C ATOM 739 CE1 PHE A 60 1.383 -2.527 -0.945 1.00 10.00 C ATOM 740 CE2 PHE A 60 -0.731 -1.879 -0.036 1.00 10.00 C ATOM 741 CZ PHE A 60 0.433 -2.618 0.053 1.00 10.00 C ATOM 0 H PHE A 60 1.240 -1.023 -5.367 1.00 10.00 H new ATOM 0 HA PHE A 60 -1.494 -1.464 -4.310 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.697 0.489 -3.533 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -0.973 0.699 -3.046 1.00 10.00 H new ATOM 0 HD1 PHE A 60 1.917 -1.630 -2.804 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -1.851 -0.475 -1.189 1.00 10.00 H new ATOM 0 HE1 PHE A 60 2.293 -3.104 -0.878 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -1.476 -1.948 0.743 1.00 10.00 H new ATOM 0 HZ PHE A 60 0.599 -3.265 0.901 1.00 10.00 H new ATOM 751 N ARG A 61 -2.521 0.250 -5.779 1.00 10.00 N ATOM 752 CA ARG A 61 -3.141 1.159 -6.731 1.00 10.00 C ATOM 753 C ARG A 61 -4.222 2.001 -6.066 1.00 10.00 C ATOM 754 O ARG A 61 -4.908 1.543 -5.152 1.00 10.00 O ATOM 755 CB ARG A 61 -3.752 0.387 -7.901 1.00 10.00 C ATOM 756 CG ARG A 61 -2.726 -0.229 -8.837 1.00 10.00 C ATOM 757 CD ARG A 61 -3.394 -0.880 -10.036 1.00 10.00 C ATOM 758 NE ARG A 61 -2.451 -1.654 -10.838 1.00 10.00 N ATOM 759 CZ ARG A 61 -2.751 -2.809 -11.436 1.00 10.00 C ATOM 760 NH1 ARG A 61 -3.985 -3.302 -11.368 1.00 10.00 N ATOM 761 NH2 ARG A 61 -1.819 -3.457 -12.118 1.00 10.00 N ATOM 0 H ARG A 61 -3.178 -0.345 -5.275 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.358 1.820 -7.104 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.391 -0.404 -7.507 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.392 1.059 -8.472 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -2.033 0.540 -9.177 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.138 -0.972 -8.298 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.198 -1.532 -9.693 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -3.851 -0.110 -10.658 1.00 10.00 H new ATOM 0 HE ARG A 61 -1.505 -1.290 -10.948 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -4.709 -2.797 -10.857 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -4.207 -4.185 -11.827 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -0.876 -3.073 -12.185 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -2.044 -4.340 -12.577 1.00 10.00 H new ATOM 775 N PHE A 62 -4.359 3.231 -6.534 1.00 10.00 N ATOM 776 CA PHE A 62 -5.361 4.155 -6.029 1.00 10.00 C ATOM 777 C PHE A 62 -6.194 4.670 -7.192 1.00 10.00 C ATOM 778 O PHE A 62 -5.697 5.422 -8.035 1.00 10.00 O ATOM 779 CB PHE A 62 -4.698 5.325 -5.295 1.00 10.00 C ATOM 780 CG PHE A 62 -5.663 6.395 -4.868 1.00 10.00 C ATOM 781 CD1 PHE A 62 -6.640 6.125 -3.926 1.00 10.00 C ATOM 782 CD2 PHE A 62 -5.596 7.667 -5.414 1.00 10.00 C ATOM 783 CE1 PHE A 62 -7.533 7.102 -3.536 1.00 10.00 C ATOM 784 CE2 PHE A 62 -6.486 8.651 -5.027 1.00 10.00 C ATOM 785 CZ PHE A 62 -7.456 8.367 -4.087 1.00 10.00 C ATOM 0 H PHE A 62 -3.777 3.618 -7.277 1.00 10.00 H new ATOM 0 HA PHE A 62 -6.004 3.633 -5.320 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -4.180 4.944 -4.415 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.942 5.768 -5.944 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.704 5.139 -3.491 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.839 7.892 -6.151 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -8.292 6.878 -2.801 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -6.423 9.639 -5.459 1.00 10.00 H new ATOM 0 HZ PHE A 62 -8.154 9.133 -3.782 1.00 10.00 H new ATOM 795 N ASP A 63 -7.446 4.228 -7.254 1.00 10.00 N ATOM 796 CA ASP A 63 -8.369 4.627 -8.317 1.00 10.00 C ATOM 797 C ASP A 63 -7.836 4.177 -9.678 1.00 10.00 C ATOM 798 O ASP A 63 -8.122 4.778 -10.713 1.00 10.00 O ATOM 799 CB ASP A 63 -8.597 6.147 -8.297 1.00 10.00 C ATOM 800 CG ASP A 63 -9.836 6.570 -9.060 1.00 10.00 C ATOM 801 OD1 ASP A 63 -10.856 5.852 -8.998 1.00 10.00 O ATOM 802 OD2 ASP A 63 -9.800 7.627 -9.721 1.00 10.00 O ATOM 0 H ASP A 63 -7.851 3.586 -6.573 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.328 4.140 -8.143 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -8.681 6.483 -7.263 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.726 6.645 -8.724 1.00 10.00 H new ATOM 807 N GLY A 64 -7.047 3.106 -9.661 1.00 10.00 N ATOM 808 CA GLY A 64 -6.473 2.575 -10.883 1.00 10.00 C ATOM 809 C GLY A 64 -5.049 3.043 -11.105 1.00 10.00 C ATOM 810 O GLY A 64 -4.244 2.342 -11.723 1.00 10.00 O ATOM 0 H GLY A 64 -6.794 2.594 -8.816 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.493 1.486 -10.847 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -7.088 2.877 -11.731 1.00 10.00 H new ATOM 814 N GLN A 65 -4.727 4.217 -10.582 1.00 10.00 N ATOM 815 CA GLN A 65 -3.391 4.780 -10.734 1.00 10.00 C ATOM 816 C GLN A 65 -2.444 4.182 -9.698 1.00 10.00 C ATOM 817 O GLN A 65 -2.802 4.052 -8.529 1.00 10.00 O ATOM 818 CB GLN A 65 -3.430 6.302 -10.577 1.00 10.00 C ATOM 819 CG GLN A 65 -4.500 6.991 -11.409 1.00 10.00 C ATOM 820 CD GLN A 65 -4.341 6.752 -12.898 1.00 10.00 C ATOM 821 OE1 GLN A 65 -4.993 5.880 -13.473 1.00 10.00 O ATOM 822 NE2 GLN A 65 -3.479 7.526 -13.535 1.00 10.00 N ATOM 0 H GLN A 65 -5.372 4.799 -10.048 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.029 4.536 -11.733 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -3.592 6.543 -9.526 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -2.456 6.709 -10.850 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -5.481 6.637 -11.093 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.469 8.063 -11.214 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -2.957 8.238 -13.023 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -3.336 7.412 -14.538 1.00 10.00 H new ATOM 831 N PRO A 66 -1.229 3.796 -10.110 1.00 10.00 N ATOM 832 CA PRO A 66 -0.240 3.210 -9.197 1.00 10.00 C ATOM 833 C PRO A 66 0.304 4.234 -8.204 1.00 10.00 C ATOM 834 O PRO A 66 0.546 5.393 -8.552 1.00 10.00 O ATOM 835 CB PRO A 66 0.868 2.724 -10.135 1.00 10.00 C ATOM 836 CG PRO A 66 0.742 3.572 -11.351 1.00 10.00 C ATOM 837 CD PRO A 66 -0.723 3.893 -11.490 1.00 10.00 C ATOM 0 HA PRO A 66 -0.668 2.418 -8.582 1.00 10.00 H new ATOM 0 HB2 PRO A 66 1.851 2.835 -9.676 1.00 10.00 H new ATOM 0 HB3 PRO A 66 0.746 1.668 -10.376 1.00 10.00 H new ATOM 0 HG2 PRO A 66 1.332 4.483 -11.253 1.00 10.00 H new ATOM 0 HG3 PRO A 66 1.111 3.046 -12.232 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -0.878 4.889 -11.905 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -1.227 3.189 -12.153 1.00 10.00 H new ATOM 845 N ILE A 67 0.487 3.804 -6.966 1.00 10.00 N ATOM 846 CA ILE A 67 1.001 4.682 -5.929 1.00 10.00 C ATOM 847 C ILE A 67 2.520 4.586 -5.860 1.00 10.00 C ATOM 848 O ILE A 67 3.087 3.495 -5.937 1.00 10.00 O ATOM 849 CB ILE A 67 0.403 4.343 -4.546 1.00 10.00 C ATOM 850 CG1 ILE A 67 -1.119 4.215 -4.640 1.00 10.00 C ATOM 851 CG2 ILE A 67 0.786 5.403 -3.521 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.777 3.797 -3.343 1.00 10.00 C ATOM 0 H ILE A 67 0.287 2.853 -6.656 1.00 10.00 H new ATOM 0 HA ILE A 67 0.707 5.699 -6.189 1.00 10.00 H new ATOM 0 HB ILE A 67 0.812 3.387 -4.219 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.536 5.171 -4.957 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.366 3.488 -5.413 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.355 5.146 -2.553 1.00 10.00 H new ATOM 0 HG22 ILE A 67 1.872 5.450 -3.434 1.00 10.00 H new ATOM 0 HG23 ILE A 67 0.406 6.373 -3.841 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.855 3.728 -3.488 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.389 2.826 -3.035 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.561 4.536 -2.571 1.00 10.00 H new ATOM 864 N ASN A 68 3.171 5.730 -5.730 1.00 10.00 N ATOM 865 CA ASN A 68 4.622 5.775 -5.653 1.00 10.00 C ATOM 866 C ASN A 68 5.069 5.726 -4.201 1.00 10.00 C ATOM 867 O ASN A 68 4.267 5.918 -3.286 1.00 10.00 O ATOM 868 CB ASN A 68 5.163 7.050 -6.310 1.00 10.00 C ATOM 869 CG ASN A 68 4.720 7.207 -7.752 1.00 10.00 C ATOM 870 OD1 ASN A 68 5.341 6.667 -8.669 1.00 10.00 O ATOM 871 ND2 ASN A 68 3.649 7.955 -7.963 1.00 10.00 N ATOM 0 H ASN A 68 2.717 6.642 -5.675 1.00 10.00 H new ATOM 0 HA ASN A 68 5.017 4.910 -6.186 1.00 10.00 H new ATOM 0 HB2 ASN A 68 4.831 7.916 -5.737 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.252 7.039 -6.269 1.00 10.00 H new ATOM 0 HD21 ASN A 68 3.309 8.102 -8.913 1.00 10.00 H new ATOM 0 HD22 ASN A 68 3.164 8.384 -7.175 1.00 10.00 H new ATOM 878 N GLU A 69 6.355 5.496 -3.989 1.00 10.00 N ATOM 879 CA GLU A 69 6.905 5.433 -2.641 1.00 10.00 C ATOM 880 C GLU A 69 7.128 6.839 -2.093 1.00 10.00 C ATOM 881 O GLU A 69 7.533 7.019 -0.949 1.00 10.00 O ATOM 882 CB GLU A 69 8.215 4.646 -2.641 1.00 10.00 C ATOM 883 CG GLU A 69 8.043 3.191 -3.046 1.00 10.00 C ATOM 884 CD GLU A 69 9.301 2.603 -3.649 1.00 10.00 C ATOM 885 OE1 GLU A 69 10.112 2.018 -2.897 1.00 10.00 O ATOM 886 OE2 GLU A 69 9.487 2.730 -4.876 1.00 10.00 O ATOM 0 H GLU A 69 7.039 5.350 -4.732 1.00 10.00 H new ATOM 0 HA GLU A 69 6.191 4.920 -1.996 1.00 10.00 H new ATOM 0 HB2 GLU A 69 8.918 5.125 -3.322 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.656 4.689 -1.645 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.755 2.606 -2.173 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.228 3.112 -3.765 1.00 10.00 H new ATOM 893 N THR A 70 6.862 7.827 -2.928 1.00 10.00 N ATOM 894 CA THR A 70 7.017 9.220 -2.549 1.00 10.00 C ATOM 895 C THR A 70 5.660 9.896 -2.399 1.00 10.00 C ATOM 896 O THR A 70 5.577 11.103 -2.159 1.00 10.00 O ATOM 897 CB THR A 70 7.844 9.965 -3.610 1.00 10.00 C ATOM 898 OG1 THR A 70 7.651 9.340 -4.890 1.00 10.00 O ATOM 899 CG2 THR A 70 9.322 9.957 -3.252 1.00 10.00 C ATOM 0 H THR A 70 6.534 7.688 -3.884 1.00 10.00 H new ATOM 0 HA THR A 70 7.534 9.255 -1.590 1.00 10.00 H new ATOM 0 HB THR A 70 7.508 11.001 -3.649 1.00 10.00 H new ATOM 0 HG1 THR A 70 8.176 9.814 -5.568 1.00 10.00 H new ATOM 0 HG21 THR A 70 9.885 10.490 -4.018 1.00 10.00 H new ATOM 0 HG22 THR A 70 9.466 10.447 -2.289 1.00 10.00 H new ATOM 0 HG23 THR A 70 9.676 8.928 -3.192 1.00 10.00 H new ATOM 907 N ASP A 71 4.597 9.110 -2.523 1.00 10.00 N ATOM 908 CA ASP A 71 3.242 9.637 -2.430 1.00 10.00 C ATOM 909 C ASP A 71 2.751 9.702 -0.988 1.00 10.00 C ATOM 910 O ASP A 71 3.214 8.957 -0.118 1.00 10.00 O ATOM 911 CB ASP A 71 2.273 8.784 -3.255 1.00 10.00 C ATOM 912 CG ASP A 71 2.201 9.212 -4.709 1.00 10.00 C ATOM 913 OD1 ASP A 71 2.139 10.430 -4.972 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.196 8.326 -5.596 1.00 10.00 O ATOM 0 H ASP A 71 4.648 8.105 -2.688 1.00 10.00 H new ATOM 0 HA ASP A 71 3.270 10.651 -2.828 1.00 10.00 H new ATOM 0 HB2 ASP A 71 2.582 7.740 -3.204 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.278 8.844 -2.814 1.00 10.00 H new ATOM 919 N THR A 72 1.809 10.601 -0.748 1.00 10.00 N ATOM 920 CA THR A 72 1.218 10.781 0.568 1.00 10.00 C ATOM 921 C THR A 72 -0.298 10.923 0.429 1.00 10.00 C ATOM 922 O THR A 72 -0.784 11.255 -0.656 1.00 10.00 O ATOM 923 CB THR A 72 1.794 12.028 1.279 1.00 10.00 C ATOM 924 OG1 THR A 72 2.169 13.019 0.311 1.00 10.00 O ATOM 925 CG2 THR A 72 3.000 11.668 2.135 1.00 10.00 C ATOM 0 H THR A 72 1.433 11.226 -1.461 1.00 10.00 H new ATOM 0 HA THR A 72 1.458 9.907 1.173 1.00 10.00 H new ATOM 0 HB THR A 72 1.018 12.429 1.931 1.00 10.00 H new ATOM 0 HG1 THR A 72 2.531 13.805 0.771 1.00 10.00 H new ATOM 0 HG21 THR A 72 3.382 12.566 2.621 1.00 10.00 H new ATOM 0 HG22 THR A 72 2.705 10.942 2.893 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.778 11.238 1.505 1.00 10.00 H new ATOM 933 N PRO A 73 -1.070 10.668 1.505 1.00 10.00 N ATOM 934 CA PRO A 73 -2.537 10.775 1.471 1.00 10.00 C ATOM 935 C PRO A 73 -3.009 12.136 0.962 1.00 10.00 C ATOM 936 O PRO A 73 -3.917 12.221 0.134 1.00 10.00 O ATOM 937 CB PRO A 73 -2.947 10.576 2.931 1.00 10.00 C ATOM 938 CG PRO A 73 -1.832 9.802 3.540 1.00 10.00 C ATOM 939 CD PRO A 73 -0.583 10.251 2.835 1.00 10.00 C ATOM 0 HA PRO A 73 -2.981 10.048 0.790 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -3.086 11.532 3.436 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.890 10.035 3.006 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.765 9.991 4.611 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -1.987 8.730 3.415 1.00 10.00 H new ATOM 0 HD2 PRO A 73 -0.099 11.073 3.361 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.148 9.446 2.761 1.00 10.00 H new ATOM 947 N ALA A 74 -2.374 13.197 1.449 1.00 10.00 N ATOM 948 CA ALA A 74 -2.725 14.552 1.042 1.00 10.00 C ATOM 949 C ALA A 74 -2.298 14.824 -0.398 1.00 10.00 C ATOM 950 O ALA A 74 -2.942 15.589 -1.113 1.00 10.00 O ATOM 951 CB ALA A 74 -2.088 15.564 1.982 1.00 10.00 C ATOM 0 H ALA A 74 -1.613 13.144 2.126 1.00 10.00 H new ATOM 0 HA ALA A 74 -3.809 14.651 1.095 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -2.357 16.572 1.668 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -2.445 15.393 2.997 1.00 10.00 H new ATOM 0 HB3 ALA A 74 -1.004 15.453 1.955 1.00 10.00 H new ATOM 957 N GLN A 75 -1.219 14.176 -0.824 1.00 10.00 N ATOM 958 CA GLN A 75 -0.696 14.357 -2.174 1.00 10.00 C ATOM 959 C GLN A 75 -1.614 13.730 -3.215 1.00 10.00 C ATOM 960 O GLN A 75 -1.874 14.321 -4.261 1.00 10.00 O ATOM 961 CB GLN A 75 0.703 13.747 -2.284 1.00 10.00 C ATOM 962 CG GLN A 75 1.342 13.909 -3.654 1.00 10.00 C ATOM 963 CD GLN A 75 1.516 15.362 -4.045 1.00 10.00 C ATOM 964 OE1 GLN A 75 1.669 16.230 -3.191 1.00 10.00 O ATOM 965 NE2 GLN A 75 1.493 15.637 -5.339 1.00 10.00 N ATOM 0 H GLN A 75 -0.688 13.519 -0.252 1.00 10.00 H new ATOM 0 HA GLN A 75 -0.642 15.428 -2.369 1.00 10.00 H new ATOM 0 HB2 GLN A 75 1.349 14.208 -1.536 1.00 10.00 H new ATOM 0 HB3 GLN A 75 0.645 12.685 -2.045 1.00 10.00 H new ATOM 0 HG2 GLN A 75 2.314 13.416 -3.658 1.00 10.00 H new ATOM 0 HG3 GLN A 75 0.726 13.407 -4.400 1.00 10.00 H new ATOM 0 HE21 GLN A 75 1.363 14.887 -6.018 1.00 10.00 H new ATOM 0 HE22 GLN A 75 1.605 16.599 -5.658 1.00 10.00 H new ATOM 974 N LEU A 76 -2.114 12.538 -2.922 1.00 10.00 N ATOM 975 CA LEU A 76 -2.988 11.833 -3.850 1.00 10.00 C ATOM 976 C LEU A 76 -4.438 12.291 -3.719 1.00 10.00 C ATOM 977 O LEU A 76 -5.332 11.703 -4.326 1.00 10.00 O ATOM 978 CB LEU A 76 -2.891 10.322 -3.630 1.00 10.00 C ATOM 979 CG LEU A 76 -1.805 9.617 -4.448 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.722 8.148 -4.069 1.00 10.00 C ATOM 981 CD2 LEU A 76 -2.074 9.765 -5.939 1.00 10.00 C ATOM 0 H LEU A 76 -1.930 12.039 -2.051 1.00 10.00 H new ATOM 0 HA LEU A 76 -2.654 12.070 -4.860 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.707 10.135 -2.572 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -3.855 9.873 -3.870 1.00 10.00 H new ATOM 0 HG LEU A 76 -0.848 10.088 -4.223 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.945 7.663 -4.660 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.481 8.059 -3.010 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.680 7.667 -4.265 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -1.291 9.257 -6.502 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -3.040 9.322 -6.180 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -2.084 10.822 -6.204 1.00 10.00 H new ATOM 993 N GLU A 77 -4.655 13.349 -2.937 1.00 10.00 N ATOM 994 CA GLU A 77 -5.991 13.904 -2.724 1.00 10.00 C ATOM 995 C GLU A 77 -6.943 12.859 -2.149 1.00 10.00 C ATOM 996 O GLU A 77 -8.134 12.838 -2.470 1.00 10.00 O ATOM 997 CB GLU A 77 -6.549 14.467 -4.036 1.00 10.00 C ATOM 998 CG GLU A 77 -5.783 15.672 -4.559 1.00 10.00 C ATOM 999 CD GLU A 77 -5.857 16.867 -3.632 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -6.812 16.950 -2.832 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -4.963 17.736 -3.704 1.00 10.00 O ATOM 0 H GLU A 77 -3.915 13.842 -2.437 1.00 10.00 H new ATOM 0 HA GLU A 77 -5.905 14.713 -1.999 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -6.535 13.683 -4.793 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -7.592 14.747 -3.886 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -4.739 15.396 -4.705 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -6.179 15.951 -5.536 1.00 10.00 H new ATOM 1008 N MET A 78 -6.414 12.005 -1.283 1.00 10.00 N ATOM 1009 CA MET A 78 -7.207 10.957 -0.659 1.00 10.00 C ATOM 1010 C MET A 78 -8.164 11.556 0.358 1.00 10.00 C ATOM 1011 O MET A 78 -7.896 12.623 0.921 1.00 10.00 O ATOM 1012 CB MET A 78 -6.298 9.939 0.031 1.00 10.00 C ATOM 1013 CG MET A 78 -5.617 8.975 -0.922 1.00 10.00 C ATOM 1014 SD MET A 78 -4.382 7.951 -0.101 1.00 10.00 S ATOM 1015 CE MET A 78 -4.059 6.729 -1.370 1.00 10.00 C ATOM 0 H MET A 78 -5.435 12.019 -0.997 1.00 10.00 H new ATOM 0 HA MET A 78 -7.780 10.452 -1.437 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.535 10.473 0.598 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.887 9.369 0.749 1.00 10.00 H new ATOM 0 HG2 MET A 78 -6.368 8.334 -1.383 1.00 10.00 H new ATOM 0 HG3 MET A 78 -5.142 9.538 -1.725 1.00 10.00 H new ATOM 0 HE1 MET A 78 -3.172 6.154 -1.104 1.00 10.00 H new ATOM 0 HE2 MET A 78 -4.914 6.058 -1.455 1.00 10.00 H new ATOM 0 HE3 MET A 78 -3.895 7.230 -2.324 1.00 10.00 H new ATOM 1025 N GLU A 79 -9.273 10.876 0.588 1.00 10.00 N ATOM 1026 CA GLU A 79 -10.261 11.337 1.548 1.00 10.00 C ATOM 1027 C GLU A 79 -10.524 10.255 2.586 1.00 10.00 C ATOM 1028 O GLU A 79 -9.923 9.179 2.538 1.00 10.00 O ATOM 1029 CB GLU A 79 -11.559 11.734 0.845 1.00 10.00 C ATOM 1030 CG GLU A 79 -11.980 13.171 1.122 1.00 10.00 C ATOM 1031 CD GLU A 79 -11.993 13.493 2.604 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -12.865 12.968 3.323 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -11.124 14.260 3.061 1.00 10.00 O ATOM 0 H GLU A 79 -9.513 10.001 0.122 1.00 10.00 H new ATOM 0 HA GLU A 79 -9.868 12.220 2.052 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -11.438 11.599 -0.230 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -12.356 11.062 1.163 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -11.299 13.851 0.611 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -12.973 13.342 0.707 1.00 10.00 H new ATOM 1040 N ASP A 80 -11.417 10.538 3.519 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.742 9.591 4.570 1.00 10.00 C ATOM 1042 C ASP A 80 -12.581 8.447 4.022 1.00 10.00 C ATOM 1043 O ASP A 80 -13.446 8.656 3.162 1.00 10.00 O ATOM 1044 CB ASP A 80 -12.487 10.288 5.706 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.464 9.486 6.991 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -13.543 9.058 7.451 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -11.365 9.294 7.558 1.00 10.00 O ATOM 0 H ASP A 80 -11.930 11.418 3.569 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.809 9.183 4.959 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -12.040 11.266 5.884 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -13.521 10.460 5.407 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.296 7.241 4.512 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.999 6.028 4.105 1.00 10.00 C ATOM 1054 C GLU A 81 -12.667 5.672 2.656 1.00 10.00 C ATOM 1055 O GLU A 81 -13.478 5.065 1.952 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.513 6.185 4.289 1.00 10.00 C ATOM 1057 CG GLU A 81 -14.918 6.485 5.721 1.00 10.00 C ATOM 1058 CD GLU A 81 -15.362 5.253 6.479 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -16.583 5.100 6.696 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -14.503 4.430 6.850 1.00 10.00 O ATOM 0 H GLU A 81 -11.567 7.079 5.206 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.663 5.212 4.745 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.869 6.987 3.643 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -15.008 5.270 3.963 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.077 6.943 6.242 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -15.727 7.215 5.719 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.465 6.043 2.219 1.00 10.00 N ATOM 1068 CA ASP A 82 -11.023 5.755 0.856 1.00 10.00 C ATOM 1069 C ASP A 82 -10.596 4.296 0.748 1.00 10.00 C ATOM 1070 O ASP A 82 -10.664 3.557 1.729 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.871 6.677 0.448 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.976 7.125 -0.997 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -10.280 6.275 -1.865 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.771 8.328 -1.267 1.00 10.00 O ATOM 0 H ASP A 82 -10.781 6.543 2.788 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.856 5.935 0.177 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.862 7.552 1.098 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.924 6.159 0.597 1.00 10.00 H new ATOM 1079 N THR A 83 -10.149 3.866 -0.426 1.00 10.00 N ATOM 1080 CA THR A 83 -9.749 2.475 -0.598 1.00 10.00 C ATOM 1081 C THR A 83 -8.557 2.308 -1.535 1.00 10.00 C ATOM 1082 O THR A 83 -8.533 2.850 -2.641 1.00 10.00 O ATOM 1083 CB THR A 83 -10.921 1.630 -1.133 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.124 1.980 -0.439 1.00 10.00 O ATOM 1085 CG2 THR A 83 -10.645 0.141 -0.959 1.00 10.00 C ATOM 0 H THR A 83 -10.055 4.448 -1.259 1.00 10.00 H new ATOM 0 HA THR A 83 -9.451 2.127 0.391 1.00 10.00 H new ATOM 0 HB THR A 83 -11.036 1.837 -2.197 1.00 10.00 H new ATOM 0 HG1 THR A 83 -12.868 1.442 -0.782 1.00 10.00 H new ATOM 0 HG21 THR A 83 -11.488 -0.433 -1.345 1.00 10.00 H new ATOM 0 HG22 THR A 83 -9.742 -0.128 -1.507 1.00 10.00 H new ATOM 0 HG23 THR A 83 -10.508 -0.082 0.099 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.574 1.547 -1.071 1.00 10.00 N ATOM 1094 CA ILE A 84 -6.379 1.255 -1.847 1.00 10.00 C ATOM 1095 C ILE A 84 -6.414 -0.207 -2.282 1.00 10.00 C ATOM 1096 O ILE A 84 -6.720 -1.091 -1.476 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.093 1.527 -1.034 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.050 2.988 -0.574 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -3.854 1.191 -1.853 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.942 3.286 0.414 1.00 10.00 C ATOM 0 H ILE A 84 -7.584 1.116 -0.147 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.365 1.909 -2.719 1.00 10.00 H new ATOM 0 HB ILE A 84 -5.104 0.885 -0.153 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -4.929 3.630 -1.446 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.007 3.244 -0.120 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -2.961 1.390 -1.260 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -3.877 0.137 -2.132 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -3.836 1.804 -2.754 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -3.976 4.339 0.692 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.073 2.671 1.304 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -2.978 3.063 -0.042 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.119 -0.454 -3.550 1.00 10.00 N ATOM 1113 CA ASP A 85 -6.136 -1.809 -4.088 1.00 10.00 C ATOM 1114 C ASP A 85 -4.753 -2.439 -4.036 1.00 10.00 C ATOM 1115 O ASP A 85 -3.747 -1.773 -4.294 1.00 10.00 O ATOM 1116 CB ASP A 85 -6.650 -1.807 -5.528 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.155 -1.689 -5.606 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -8.853 -2.692 -5.342 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -8.651 -0.592 -5.939 1.00 10.00 O ATOM 0 H ASP A 85 -5.865 0.266 -4.227 1.00 10.00 H new ATOM 0 HA ASP A 85 -6.809 -2.403 -3.469 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -6.195 -0.979 -6.071 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.335 -2.725 -6.024 1.00 10.00 H new ATOM 1124 N VAL A 86 -4.704 -3.725 -3.710 1.00 10.00 N ATOM 1125 CA VAL A 86 -3.445 -4.452 -3.620 1.00 10.00 C ATOM 1126 C VAL A 86 -3.433 -5.632 -4.582 1.00 10.00 C ATOM 1127 O VAL A 86 -4.263 -6.537 -4.487 1.00 10.00 O ATOM 1128 CB VAL A 86 -3.185 -4.979 -2.193 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -1.722 -5.350 -2.017 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -3.608 -3.960 -1.149 1.00 10.00 C ATOM 0 H VAL A 86 -5.528 -4.289 -3.502 1.00 10.00 H new ATOM 0 HA VAL A 86 -2.658 -3.746 -3.884 1.00 10.00 H new ATOM 0 HB VAL A 86 -3.787 -5.876 -2.051 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -1.560 -5.719 -1.004 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -1.455 -6.127 -2.734 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -1.101 -4.471 -2.187 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -3.414 -4.358 -0.153 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.042 -3.039 -1.289 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -4.673 -3.751 -1.255 1.00 10.00 H new ATOM 1140 N PHE A 87 -2.488 -5.617 -5.506 1.00 10.00 N ATOM 1141 CA PHE A 87 -2.358 -6.683 -6.486 1.00 10.00 C ATOM 1142 C PHE A 87 -0.986 -7.330 -6.369 1.00 10.00 C ATOM 1143 O PHE A 87 -0.179 -6.927 -5.532 1.00 10.00 O ATOM 1144 CB PHE A 87 -2.562 -6.145 -7.907 1.00 10.00 C ATOM 1145 CG PHE A 87 -3.911 -5.524 -8.130 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.003 -6.308 -8.466 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.086 -4.157 -8.001 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -6.243 -5.738 -8.666 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -5.325 -3.584 -8.201 1.00 10.00 C ATOM 1150 CZ PHE A 87 -6.405 -4.374 -8.534 1.00 10.00 C ATOM 0 H PHE A 87 -1.795 -4.874 -5.599 1.00 10.00 H new ATOM 0 HA PHE A 87 -3.127 -7.429 -6.287 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -1.791 -5.404 -8.119 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -2.425 -6.960 -8.618 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -4.882 -7.376 -8.572 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.244 -3.533 -7.741 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -7.087 -6.359 -8.926 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -5.449 -2.516 -8.097 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.375 -3.926 -8.691 1.00 10.00 H new ATOM 1160 N GLN A 88 -0.726 -8.325 -7.202 1.00 10.00 N ATOM 1161 CA GLN A 88 0.558 -9.014 -7.192 1.00 10.00 C ATOM 1162 C GLN A 88 1.174 -8.992 -8.583 1.00 10.00 C ATOM 1163 O GLN A 88 0.461 -9.011 -9.586 1.00 10.00 O ATOM 1164 CB GLN A 88 0.408 -10.460 -6.713 1.00 10.00 C ATOM 1165 CG GLN A 88 -0.016 -10.577 -5.260 1.00 10.00 C ATOM 1166 CD GLN A 88 0.261 -11.947 -4.676 1.00 10.00 C ATOM 1167 OE1 GLN A 88 1.239 -12.607 -5.033 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -0.605 -12.389 -3.780 1.00 10.00 N ATOM 0 H GLN A 88 -1.387 -8.675 -7.895 1.00 10.00 H new ATOM 0 HA GLN A 88 1.215 -8.491 -6.497 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -0.326 -10.967 -7.339 1.00 10.00 H new ATOM 0 HB3 GLN A 88 1.357 -10.979 -6.849 1.00 10.00 H new ATOM 0 HG2 GLN A 88 0.508 -9.824 -4.672 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -1.081 -10.361 -5.179 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -1.402 -11.811 -3.512 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -0.477 -13.308 -3.357 1.00 10.00 H new ATOM 1177 N GLN A 89 2.493 -8.937 -8.637 1.00 10.00 N ATOM 1178 CA GLN A 89 3.201 -8.911 -9.902 1.00 10.00 C ATOM 1179 C GLN A 89 3.278 -10.315 -10.493 1.00 10.00 C ATOM 1180 O GLN A 89 3.241 -11.309 -9.767 1.00 10.00 O ATOM 1181 CB GLN A 89 4.605 -8.329 -9.711 1.00 10.00 C ATOM 1182 CG GLN A 89 5.208 -7.764 -10.987 1.00 10.00 C ATOM 1183 CD GLN A 89 4.372 -6.647 -11.589 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.725 -5.876 -10.880 1.00 10.00 O ATOM 1185 NE2 GLN A 89 4.374 -6.557 -12.907 1.00 10.00 N ATOM 0 H GLN A 89 3.096 -8.909 -7.815 1.00 10.00 H new ATOM 0 HA GLN A 89 2.655 -8.274 -10.598 1.00 10.00 H new ATOM 0 HB2 GLN A 89 4.563 -7.541 -8.959 1.00 10.00 H new ATOM 0 HB3 GLN A 89 5.262 -9.107 -9.322 1.00 10.00 H new ATOM 0 HG2 GLN A 89 6.209 -7.389 -10.775 1.00 10.00 H new ATOM 0 HG3 GLN A 89 5.316 -8.565 -11.718 1.00 10.00 H new ATOM 0 HE21 GLN A 89 4.922 -7.214 -13.462 1.00 10.00 H new ATOM 0 HE22 GLN A 89 3.827 -5.831 -13.369 1.00 10.00 H new ATOM 1194 N GLN A 90 3.374 -10.389 -11.814 1.00 10.00 N ATOM 1195 CA GLN A 90 3.445 -11.666 -12.509 1.00 10.00 C ATOM 1196 C GLN A 90 4.770 -12.365 -12.218 1.00 10.00 C ATOM 1197 O GLN A 90 5.829 -11.734 -12.207 1.00 10.00 O ATOM 1198 CB GLN A 90 3.282 -11.470 -14.019 1.00 10.00 C ATOM 1199 CG GLN A 90 2.091 -10.604 -14.411 1.00 10.00 C ATOM 1200 CD GLN A 90 2.429 -9.125 -14.450 1.00 10.00 C ATOM 1201 OE1 GLN A 90 3.570 -8.746 -14.715 1.00 10.00 O ATOM 1202 NE2 GLN A 90 1.448 -8.283 -14.175 1.00 10.00 N ATOM 0 H GLN A 90 3.405 -9.575 -12.428 1.00 10.00 H new ATOM 0 HA GLN A 90 2.630 -12.292 -12.146 1.00 10.00 H new ATOM 0 HB2 GLN A 90 4.191 -11.019 -14.416 1.00 10.00 H new ATOM 0 HB3 GLN A 90 3.178 -12.447 -14.492 1.00 10.00 H new ATOM 0 HG2 GLN A 90 1.728 -10.915 -15.390 1.00 10.00 H new ATOM 0 HG3 GLN A 90 1.279 -10.768 -13.703 1.00 10.00 H new ATOM 0 HE21 GLN A 90 0.516 -8.638 -13.960 1.00 10.00 H new ATOM 0 HE22 GLN A 90 1.623 -7.278 -14.177 1.00 10.00 H new ATOM 1247 N ASN B 358 -12.204 -9.181 7.593 1.00 10.00 N ATOM 1248 CA ASN B 358 -11.518 -8.793 8.815 1.00 10.00 C ATOM 1249 C ASN B 358 -11.071 -7.346 8.735 1.00 10.00 C ATOM 1250 O ASN B 358 -10.436 -6.942 7.764 1.00 10.00 O ATOM 1251 CB ASN B 358 -10.317 -9.707 9.085 1.00 10.00 C ATOM 1252 CG ASN B 358 -9.280 -9.695 7.968 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -9.417 -10.386 6.961 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -8.226 -8.910 8.145 1.00 10.00 N ATOM 0 HA ASN B 358 -12.219 -8.898 9.643 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -9.840 -9.401 10.016 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -10.672 -10.727 9.229 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -7.497 -8.867 7.433 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -8.144 -8.350 8.993 1.00 10.00 H new ATOM 1261 N ARG B 359 -11.442 -6.563 9.744 1.00 10.00 N ATOM 1262 CA ARG B 359 -11.060 -5.155 9.793 1.00 10.00 C ATOM 1263 C ARG B 359 -10.306 -4.821 11.075 1.00 10.00 C ATOM 1264 O ARG B 359 -10.805 -5.041 12.185 1.00 10.00 O ATOM 1265 CB ARG B 359 -12.307 -4.265 9.706 1.00 10.00 C ATOM 1266 CG ARG B 359 -13.570 -4.948 10.201 1.00 10.00 C ATOM 1267 CD ARG B 359 -14.776 -4.031 10.127 1.00 10.00 C ATOM 1268 NE ARG B 359 -14.991 -3.499 8.780 1.00 10.00 N ATOM 1269 CZ ARG B 359 -15.782 -2.459 8.517 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -16.443 -1.864 9.501 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -15.923 -2.016 7.275 1.00 10.00 N ATOM 0 H ARG B 359 -12.004 -6.877 10.535 1.00 10.00 H new ATOM 0 HA ARG B 359 -10.404 -4.968 8.943 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -12.140 -3.360 10.289 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -12.452 -3.955 8.671 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -13.757 -5.842 9.605 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.426 -5.276 11.231 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -15.664 -4.577 10.445 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -14.643 -3.204 10.824 1.00 10.00 H new ATOM 0 HE ARG B 359 -14.510 -3.948 8.001 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -16.346 -2.202 10.458 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -17.048 -1.068 9.300 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -15.424 -2.472 6.511 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -16.531 -1.219 7.084 1.00 10.00 H new ATOM 1285 N ASP B 360 -9.096 -4.320 10.903 1.00 10.00 N ATOM 1286 CA ASP B 360 -8.243 -3.872 12.002 1.00 10.00 C ATOM 1287 C ASP B 360 -7.695 -2.483 11.684 1.00 10.00 C ATOM 1288 O ASP B 360 -7.342 -2.218 10.537 1.00 10.00 O ATOM 1289 CB ASP B 360 -7.133 -4.875 12.352 1.00 10.00 C ATOM 1290 CG ASP B 360 -5.966 -4.871 11.397 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.060 -5.527 10.340 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -4.934 -4.258 11.726 1.00 10.00 O ATOM 0 H ASP B 360 -8.667 -4.209 9.984 1.00 10.00 H new ATOM 0 HA ASP B 360 -8.855 -3.811 12.902 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -6.767 -4.657 13.355 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -7.561 -5.877 12.379 1.00 10.00 H new ATOM 1297 N PRO B 361 -7.617 -1.562 12.656 1.00 10.00 N ATOM 1298 CA PRO B 361 -7.113 -0.226 12.399 1.00 10.00 C ATOM 1299 C PRO B 361 -5.691 -0.037 12.924 1.00 10.00 C ATOM 1300 O PRO B 361 -5.369 -0.355 14.071 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.085 0.635 13.211 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.596 -0.255 14.312 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.125 -1.666 14.023 1.00 10.00 C ATOM 0 HA PRO B 361 -7.061 0.011 11.336 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -7.584 1.513 13.618 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -8.903 0.996 12.588 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -8.223 0.082 15.279 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.684 -0.218 14.359 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.350 -1.985 14.720 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -8.938 -2.388 14.099 1.00 10.00 H new ATOM 1311 N ILE B 362 -4.846 0.477 12.040 1.00 10.00 N ATOM 1312 CA ILE B 362 -3.430 0.681 12.318 1.00 10.00 C ATOM 1313 C ILE B 362 -3.075 2.158 12.259 1.00 10.00 C ATOM 1314 O ILE B 362 -3.471 2.857 11.333 1.00 10.00 O ATOM 1315 CB ILE B 362 -2.549 -0.080 11.296 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -3.057 -1.511 11.082 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -1.092 -0.100 11.732 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -3.909 -1.661 9.842 1.00 10.00 C ATOM 0 H ILE B 362 -5.126 0.766 11.103 1.00 10.00 H new ATOM 0 HA ILE B 362 -3.239 0.297 13.320 1.00 10.00 H new ATOM 0 HB ILE B 362 -2.617 0.454 10.348 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -2.204 -2.186 11.013 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -3.637 -1.818 11.953 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -0.499 -0.641 10.995 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -0.723 0.922 11.815 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -1.008 -0.596 12.699 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -4.236 -2.696 9.749 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -4.780 -1.011 9.918 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -3.325 -1.384 8.964 1.00 10.00 H new ATOM 1330 N VAL B 363 -2.336 2.628 13.251 1.00 10.00 N ATOM 1331 CA VAL B 363 -1.935 4.024 13.298 1.00 10.00 C ATOM 1332 C VAL B 363 -0.422 4.129 13.196 1.00 10.00 C ATOM 1333 O VAL B 363 0.309 3.481 13.947 1.00 10.00 O ATOM 1334 CB VAL B 363 -2.390 4.703 14.609 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -2.025 6.181 14.608 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -3.883 4.517 14.818 1.00 10.00 C ATOM 0 H VAL B 363 -2.002 2.064 14.033 1.00 10.00 H new ATOM 0 HA VAL B 363 -2.411 4.531 12.458 1.00 10.00 H new ATOM 0 HB VAL B 363 -1.867 4.227 15.438 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -2.355 6.638 15.541 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -0.944 6.289 14.514 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -2.514 6.676 13.769 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.184 5.002 15.747 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -4.425 4.962 13.984 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.113 3.453 14.874 1.00 10.00 H new ATOM 1346 N ILE B 364 0.035 4.941 12.261 1.00 10.00 N ATOM 1347 CA ILE B 364 1.458 5.141 12.050 1.00 10.00 C ATOM 1348 C ILE B 364 1.818 6.607 12.235 1.00 10.00 C ATOM 1349 O ILE B 364 1.154 7.492 11.693 1.00 10.00 O ATOM 1350 CB ILE B 364 1.906 4.678 10.639 1.00 10.00 C ATOM 1351 CG1 ILE B 364 1.467 3.234 10.371 1.00 10.00 C ATOM 1352 CG2 ILE B 364 3.417 4.813 10.480 1.00 10.00 C ATOM 1353 CD1 ILE B 364 1.716 2.778 8.946 1.00 10.00 C ATOM 0 H ILE B 364 -0.563 5.476 11.631 1.00 10.00 H new ATOM 0 HA ILE B 364 1.980 4.534 12.789 1.00 10.00 H new ATOM 0 HB ILE B 364 1.423 5.324 9.906 1.00 10.00 H new ATOM 0 HG12 ILE B 364 1.996 2.570 11.054 1.00 10.00 H new ATOM 0 HG13 ILE B 364 0.404 3.139 10.594 1.00 10.00 H new ATOM 0 HG21 ILE B 364 3.709 4.483 9.483 1.00 10.00 H new ATOM 0 HG22 ILE B 364 3.705 5.855 10.616 1.00 10.00 H new ATOM 0 HG23 ILE B 364 3.918 4.198 11.227 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.381 1.747 8.830 1.00 10.00 H new ATOM 0 HD12 ILE B 364 1.165 3.418 8.257 1.00 10.00 H new ATOM 0 HD13 ILE B 364 2.782 2.840 8.725 1.00 10.00 H new ATOM 1365 N SER B 365 2.851 6.851 13.021 1.00 10.00 N ATOM 1366 CA SER B 365 3.335 8.197 13.282 1.00 10.00 C ATOM 1367 C SER B 365 4.771 8.315 12.791 1.00 10.00 C ATOM 1368 O SER B 365 5.601 7.445 13.067 1.00 10.00 O ATOM 1369 CB SER B 365 3.255 8.510 14.778 1.00 10.00 C ATOM 1370 OG SER B 365 1.908 8.622 15.204 1.00 10.00 O ATOM 0 H SER B 365 3.380 6.121 13.498 1.00 10.00 H new ATOM 0 HA SER B 365 2.711 8.916 12.751 1.00 10.00 H new ATOM 0 HB2 SER B 365 3.755 7.724 15.344 1.00 10.00 H new ATOM 0 HB3 SER B 365 3.784 9.440 14.987 1.00 10.00 H new ATOM 0 HG SER B 365 1.884 8.820 16.163 1.00 10.00 H new