USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 837 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 74 TYR OH : rot 180:sc= 0.422 USER MOD Set 1.2: A 96 LYS NZ :NH3+ 174:sc= 0.442 (180deg=0) USER MOD Set 2.1: A 83 ASN : amide:sc= -0.0009 K(o=-0.21,f=-3.3!) USER MOD Set 2.2: A 84 HIS : no HD1:sc= -0.499 X(o=-0.21,f=-0.47) USER MOD Set 2.3: A 93 THR OG1 : rot -32:sc= 0.292 USER MOD Set 3.1: A 70 HIS : no HD1:sc= -0.591 K(o=-0.49,f=-3.5) USER MOD Set 3.2: A 77 GLN : amide:sc= 0.0975 K(o=-0.49,f=-2.9) USER MOD Set 4.1: A 47 THR OG1 : rot -17:sc= 0.286 USER MOD Set 4.2: A 50 THR OG1 : rot -150:sc= 1.16 USER MOD Set 5.1: A 38 GLN : amide:sc= 0 X(o=0.29,f=0.21) USER MOD Set 5.2: A 45 ASN : amide:sc= 0.291 K(o=0.29,f=-1.3) USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0209 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -177:sc= 0.744 (180deg=0.73) USER MOD Single : A 12 HIS : no HD1:sc= -0.0455 X(o=-0.046,f=-0.037) USER MOD Single : A 13 THR OG1 : rot 167:sc= 0.411 USER MOD Single : A 18 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 26 GLN : amide:sc= -1.46 K(o=-1.5,f=-4.4!) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0.162 (180deg=0.0628) USER MOD Single : A 32 GLN : amide:sc= -0.845 X(o=-0.84,f=-0.55) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 42 SER OG : rot -10:sc= 0.427 USER MOD Single : A 43 THR OG1 : rot 98:sc= -0.993 USER MOD Single : A 54 GLN : amide:sc= 0.064 X(o=0.064,f=-0.035) USER MOD Single : A 55 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.35) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 67:sc= 0.577 USER MOD Single : A 66 THR OG1 : rot -80:sc= 0.801 USER MOD Single : A 68 GLN : amide:sc= -0.0294 X(o=-0.029,f=-0.35) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.069 USER MOD Single : A 103 GLN : amide:sc= -0.465 K(o=-0.47,f=-1.3) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 45:sc= 0.229 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.859 -19.348 7.873 1.00 51.43 N ATOM 2 CA GLY A 1 -9.640 -20.176 6.659 1.00 34.54 C ATOM 3 C GLY A 1 -8.162 -20.318 6.322 1.00 45.41 C ATOM 4 O GLY A 1 -7.318 -20.338 7.227 1.00 55.13 O ATOM 0 H1 GLY A 1 -10.664 -19.727 8.411 1.00 51.43 H new ATOM 0 H2 GLY A 1 -9.005 -19.369 8.466 1.00 51.43 H new ATOM 0 H3 GLY A 1 -10.061 -18.367 7.592 1.00 51.43 H new ATOM 0 HA2 GLY A 1 -10.073 -21.164 6.812 1.00 34.54 H new ATOM 0 HA3 GLY A 1 -10.162 -19.726 5.815 1.00 34.54 H new ATOM 10 N THR A 2 -7.854 -20.423 5.016 1.00 51.10 N ATOM 11 CA THR A 2 -6.485 -20.559 4.505 1.00 34.24 C ATOM 12 C THR A 2 -6.370 -19.808 3.168 1.00 63.44 C ATOM 13 O THR A 2 -6.848 -20.296 2.134 1.00 13.35 O ATOM 14 CB THR A 2 -6.100 -22.073 4.302 1.00 3.11 C ATOM 15 OG1 THR A 2 -6.261 -22.795 5.536 1.00 3.10 O ATOM 16 CG2 THR A 2 -4.649 -22.240 3.800 1.00 74.43 C ATOM 0 H THR A 2 -8.560 -20.415 4.280 1.00 51.10 H new ATOM 0 HA THR A 2 -5.796 -20.133 5.234 1.00 34.24 H new ATOM 0 HB THR A 2 -6.770 -22.476 3.542 1.00 3.11 H new ATOM 0 HG1 THR A 2 -6.021 -23.735 5.399 1.00 3.10 H new ATOM 0 HG21 THR A 2 -4.427 -23.300 3.674 1.00 74.43 H new ATOM 0 HG22 THR A 2 -4.534 -21.729 2.844 1.00 74.43 H new ATOM 0 HG23 THR A 2 -3.961 -21.809 4.527 1.00 74.43 H new ATOM 24 N ILE A 3 -5.793 -18.592 3.206 1.00 2.02 N ATOM 25 CA ILE A 3 -5.409 -17.860 1.985 1.00 74.22 C ATOM 26 C ILE A 3 -4.177 -18.560 1.364 1.00 1.21 C ATOM 27 O ILE A 3 -3.285 -19.005 2.101 1.00 61.11 O ATOM 28 CB ILE A 3 -5.132 -16.330 2.272 1.00 25.44 C ATOM 29 CG1 ILE A 3 -4.736 -15.565 0.964 1.00 3.31 C ATOM 30 CG2 ILE A 3 -4.064 -16.130 3.374 1.00 11.33 C ATOM 31 CD1 ILE A 3 -4.535 -14.069 1.149 1.00 11.35 C ATOM 0 H ILE A 3 -5.582 -18.095 4.072 1.00 2.02 H new ATOM 0 HA ILE A 3 -6.237 -17.882 1.277 1.00 74.22 H new ATOM 0 HB ILE A 3 -6.065 -15.905 2.642 1.00 25.44 H new ATOM 0 HG12 ILE A 3 -3.816 -15.997 0.569 1.00 3.31 H new ATOM 0 HG13 ILE A 3 -5.511 -15.725 0.215 1.00 3.31 H new ATOM 0 HG21 ILE A 3 -3.906 -15.064 3.538 1.00 11.33 H new ATOM 0 HG22 ILE A 3 -4.405 -16.593 4.300 1.00 11.33 H new ATOM 0 HG23 ILE A 3 -3.128 -16.592 3.061 1.00 11.33 H new ATOM 0 HD11 ILE A 3 -4.263 -13.618 0.195 1.00 11.35 H new ATOM 0 HD12 ILE A 3 -5.459 -13.620 1.513 1.00 11.35 H new ATOM 0 HD13 ILE A 3 -3.738 -13.896 1.872 1.00 11.35 H new ATOM 43 N ASP A 4 -4.161 -18.683 0.015 1.00 2.21 N ATOM 44 CA ASP A 4 -3.140 -19.465 -0.719 1.00 74.04 C ATOM 45 C ASP A 4 -1.734 -18.825 -0.591 1.00 52.54 C ATOM 46 O ASP A 4 -1.339 -17.980 -1.410 1.00 63.51 O ATOM 47 CB ASP A 4 -3.528 -19.618 -2.222 1.00 30.24 C ATOM 48 CG ASP A 4 -4.849 -20.376 -2.455 1.00 41.53 C ATOM 49 OD1 ASP A 4 -5.923 -19.740 -2.439 1.00 2.14 O ATOM 50 OD2 ASP A 4 -4.819 -21.606 -2.663 1.00 2.12 O1- ATOM 0 H ASP A 4 -4.853 -18.244 -0.592 1.00 2.21 H new ATOM 0 HA ASP A 4 -3.103 -20.456 -0.266 1.00 74.04 H new ATOM 0 HB2 ASP A 4 -3.606 -18.627 -2.669 1.00 30.24 H new ATOM 0 HB3 ASP A 4 -2.725 -20.140 -2.742 1.00 30.24 H new ATOM 55 N TYR A 5 -1.013 -19.210 0.476 1.00 4.55 N ATOM 56 CA TYR A 5 0.414 -18.885 0.648 1.00 5.31 C ATOM 57 C TYR A 5 1.251 -19.737 -0.322 1.00 15.04 C ATOM 58 O TYR A 5 2.299 -19.304 -0.792 1.00 45.12 O ATOM 59 CB TYR A 5 0.887 -19.169 2.099 1.00 62.24 C ATOM 60 CG TYR A 5 0.152 -18.384 3.194 1.00 23.34 C ATOM 61 CD1 TYR A 5 0.387 -17.023 3.386 1.00 71.43 C ATOM 62 CD2 TYR A 5 -0.744 -19.018 4.064 1.00 11.12 C ATOM 63 CE1 TYR A 5 -0.243 -16.323 4.401 1.00 53.32 C ATOM 64 CE2 TYR A 5 -1.380 -18.317 5.073 1.00 41.10 C ATOM 65 CZ TYR A 5 -1.124 -16.973 5.239 1.00 65.24 C ATOM 66 OH TYR A 5 -1.751 -16.273 6.255 1.00 31.13 O ATOM 0 H TYR A 5 -1.403 -19.756 1.244 1.00 4.55 H new ATOM 0 HA TYR A 5 0.547 -17.823 0.440 1.00 5.31 H new ATOM 0 HB2 TYR A 5 0.772 -20.234 2.299 1.00 62.24 H new ATOM 0 HB3 TYR A 5 1.952 -18.945 2.167 1.00 62.24 H new ATOM 0 HD1 TYR A 5 1.073 -16.506 2.731 1.00 71.43 H new ATOM 0 HD2 TYR A 5 -0.942 -20.073 3.945 1.00 11.12 H new ATOM 0 HE1 TYR A 5 -0.045 -15.270 4.536 1.00 53.32 H new ATOM 0 HE2 TYR A 5 -2.075 -18.821 5.728 1.00 41.10 H new ATOM 0 HH TYR A 5 -2.341 -16.877 6.753 1.00 31.13 H new ATOM 76 N GLN A 6 0.752 -20.968 -0.576 1.00 65.12 N ATOM 77 CA GLN A 6 1.346 -21.942 -1.514 1.00 24.12 C ATOM 78 C GLN A 6 1.421 -21.364 -2.942 1.00 21.13 C ATOM 79 O GLN A 6 2.418 -21.565 -3.647 1.00 63.22 O ATOM 80 CB GLN A 6 0.519 -23.260 -1.499 1.00 20.04 C ATOM 81 CG GLN A 6 1.021 -24.349 -2.467 1.00 50.32 C ATOM 82 CD GLN A 6 0.133 -25.594 -2.467 1.00 61.04 C ATOM 83 OE1 GLN A 6 0.342 -26.518 -1.687 1.00 22.01 O ATOM 84 NE2 GLN A 6 -0.872 -25.619 -3.329 1.00 73.44 N ATOM 0 H GLN A 6 -0.093 -21.317 -0.124 1.00 65.12 H new ATOM 0 HA GLN A 6 2.364 -22.157 -1.191 1.00 24.12 H new ATOM 0 HB2 GLN A 6 0.523 -23.664 -0.487 1.00 20.04 H new ATOM 0 HB3 GLN A 6 -0.517 -23.025 -1.744 1.00 20.04 H new ATOM 0 HG2 GLN A 6 1.066 -23.940 -3.476 1.00 50.32 H new ATOM 0 HG3 GLN A 6 2.037 -24.633 -2.193 1.00 50.32 H new ATOM 0 HE21 GLN A 6 -1.019 -24.835 -3.964 1.00 73.44 H new ATOM 0 HE22 GLN A 6 -1.499 -26.423 -3.358 1.00 73.44 H new ATOM 93 N ALA A 7 0.356 -20.636 -3.345 1.00 21.30 N ATOM 94 CA ALA A 7 0.313 -19.923 -4.635 1.00 62.55 C ATOM 95 C ALA A 7 1.393 -18.819 -4.683 1.00 53.33 C ATOM 96 O ALA A 7 1.954 -18.561 -5.749 1.00 63.03 O ATOM 97 CB ALA A 7 -1.082 -19.338 -4.886 1.00 33.14 C ATOM 0 H ALA A 7 -0.491 -20.528 -2.787 1.00 21.30 H new ATOM 0 HA ALA A 7 0.525 -20.638 -5.429 1.00 62.55 H new ATOM 0 HB1 ALA A 7 -1.091 -18.816 -5.843 1.00 33.14 H new ATOM 0 HB2 ALA A 7 -1.816 -20.143 -4.905 1.00 33.14 H new ATOM 0 HB3 ALA A 7 -1.332 -18.638 -4.089 1.00 33.14 H new ATOM 103 N LEU A 8 1.645 -18.190 -3.505 1.00 34.02 N ATOM 104 CA LEU A 8 2.757 -17.232 -3.264 1.00 65.30 C ATOM 105 C LEU A 8 2.556 -15.912 -4.045 1.00 23.11 C ATOM 106 O LEU A 8 2.232 -14.872 -3.459 1.00 53.31 O ATOM 107 CB LEU A 8 4.141 -17.900 -3.568 1.00 72.24 C ATOM 108 CG LEU A 8 5.417 -17.032 -3.323 1.00 11.23 C ATOM 109 CD1 LEU A 8 5.552 -16.615 -1.837 1.00 22.14 C ATOM 110 CD2 LEU A 8 6.684 -17.775 -3.812 1.00 22.12 C ATOM 0 H LEU A 8 1.067 -18.338 -2.677 1.00 34.02 H new ATOM 0 HA LEU A 8 2.750 -16.965 -2.207 1.00 65.30 H new ATOM 0 HB2 LEU A 8 4.223 -18.801 -2.961 1.00 72.24 H new ATOM 0 HB3 LEU A 8 4.142 -18.217 -4.611 1.00 72.24 H new ATOM 0 HG LEU A 8 5.311 -16.116 -3.904 1.00 11.23 H new ATOM 0 HD11 LEU A 8 6.451 -16.013 -1.708 1.00 22.14 H new ATOM 0 HD12 LEU A 8 4.680 -16.032 -1.542 1.00 22.14 H new ATOM 0 HD13 LEU A 8 5.620 -17.507 -1.214 1.00 22.14 H new ATOM 0 HD21 LEU A 8 7.562 -17.154 -3.633 1.00 22.12 H new ATOM 0 HD22 LEU A 8 6.787 -18.715 -3.269 1.00 22.12 H new ATOM 0 HD23 LEU A 8 6.596 -17.980 -4.879 1.00 22.12 H new ATOM 122 N LYS A 9 2.747 -15.977 -5.365 1.00 40.52 N ATOM 123 CA LYS A 9 2.506 -14.866 -6.281 1.00 2.42 C ATOM 124 C LYS A 9 1.422 -15.344 -7.265 1.00 50.43 C ATOM 125 O LYS A 9 1.727 -16.089 -8.203 1.00 54.13 O ATOM 126 CB LYS A 9 3.844 -14.488 -7.013 1.00 70.43 C ATOM 127 CG LYS A 9 3.947 -13.047 -7.576 1.00 43.34 C ATOM 128 CD LYS A 9 2.820 -12.648 -8.552 1.00 71.24 C ATOM 129 CE LYS A 9 3.070 -11.293 -9.222 1.00 32.32 C ATOM 130 NZ LYS A 9 3.458 -10.225 -8.254 1.00 54.30 N1+ ATOM 0 H LYS A 9 3.080 -16.820 -5.833 1.00 40.52 H new ATOM 0 HA LYS A 9 2.168 -13.968 -5.765 1.00 2.42 H new ATOM 0 HB2 LYS A 9 4.668 -14.641 -6.316 1.00 70.43 H new ATOM 0 HB3 LYS A 9 3.990 -15.186 -7.837 1.00 70.43 H new ATOM 0 HG2 LYS A 9 3.950 -12.346 -6.741 1.00 43.34 H new ATOM 0 HG3 LYS A 9 4.904 -12.939 -8.086 1.00 43.34 H new ATOM 0 HD2 LYS A 9 2.721 -13.415 -9.320 1.00 71.24 H new ATOM 0 HD3 LYS A 9 1.873 -12.613 -8.013 1.00 71.24 H new ATOM 0 HE2 LYS A 9 3.857 -11.403 -9.968 1.00 32.32 H new ATOM 0 HE3 LYS A 9 2.169 -10.985 -9.752 1.00 32.32 H new ATOM 0 HZ1 LYS A 9 3.564 -9.321 -8.758 1.00 54.30 H new ATOM 0 HZ2 LYS A 9 2.721 -10.131 -7.527 1.00 54.30 H new ATOM 0 HZ3 LYS A 9 4.360 -10.477 -7.802 1.00 54.30 H new ATOM 144 N ARG A 10 0.160 -14.968 -7.004 1.00 13.13 N ATOM 145 CA ARG A 10 -0.954 -15.215 -7.942 1.00 21.41 C ATOM 146 C ARG A 10 -0.723 -14.371 -9.213 1.00 14.23 C ATOM 147 O ARG A 10 -0.478 -13.168 -9.112 1.00 22.01 O ATOM 148 CB ARG A 10 -2.311 -14.840 -7.277 1.00 1.43 C ATOM 149 CG ARG A 10 -3.555 -15.171 -8.136 1.00 22.01 C ATOM 150 CD ARG A 10 -3.777 -16.684 -8.318 1.00 50.22 C ATOM 151 NE ARG A 10 -4.030 -17.365 -7.030 1.00 33.02 N ATOM 152 CZ ARG A 10 -4.219 -18.685 -6.856 1.00 4.32 C ATOM 153 NH1 ARG A 10 -4.185 -19.534 -7.884 1.00 43.13 N1+ ATOM 154 NH2 ARG A 10 -4.444 -19.147 -5.632 1.00 41.04 N ATOM 0 H ARG A 10 -0.118 -14.489 -6.147 1.00 13.13 H new ATOM 0 HA ARG A 10 -0.990 -16.272 -8.206 1.00 21.41 H new ATOM 0 HB2 ARG A 10 -2.392 -15.364 -6.324 1.00 1.43 H new ATOM 0 HB3 ARG A 10 -2.311 -13.773 -7.055 1.00 1.43 H new ATOM 0 HG2 ARG A 10 -4.438 -14.734 -7.670 1.00 22.01 H new ATOM 0 HG3 ARG A 10 -3.448 -14.705 -9.115 1.00 22.01 H new ATOM 0 HD2 ARG A 10 -4.621 -16.849 -8.987 1.00 50.22 H new ATOM 0 HD3 ARG A 10 -2.901 -17.124 -8.795 1.00 50.22 H new ATOM 0 HE ARG A 10 -4.064 -16.779 -6.196 1.00 33.02 H new ATOM 0 HH11 ARG A 10 -4.013 -19.186 -8.827 1.00 43.13 H new ATOM 0 HH12 ARG A 10 -4.331 -20.531 -7.727 1.00 43.13 H new ATOM 0 HH21 ARG A 10 -4.471 -18.504 -4.841 1.00 41.04 H new ATOM 0 HH22 ARG A 10 -4.589 -20.145 -5.482 1.00 41.04 H new ATOM 168 N ARG A 11 -0.773 -14.998 -10.395 1.00 54.22 N ATOM 169 CA ARG A 11 -0.492 -14.305 -11.671 1.00 55.52 C ATOM 170 C ARG A 11 -1.400 -14.819 -12.796 1.00 15.23 C ATOM 171 O ARG A 11 -1.771 -16.000 -12.827 1.00 75.23 O ATOM 172 CB ARG A 11 1.000 -14.461 -12.062 1.00 3.44 C ATOM 173 CG ARG A 11 1.497 -15.917 -12.227 1.00 32.42 C ATOM 174 CD ARG A 11 2.944 -15.989 -12.743 1.00 23.42 C ATOM 175 NE ARG A 11 3.887 -15.248 -11.883 1.00 71.12 N ATOM 176 CZ ARG A 11 4.585 -14.162 -12.244 1.00 31.10 C ATOM 177 NH1 ARG A 11 4.474 -13.652 -13.472 1.00 13.54 N1+ ATOM 178 NH2 ARG A 11 5.387 -13.578 -11.372 1.00 64.12 N ATOM 0 H ARG A 11 -1.005 -15.986 -10.500 1.00 54.22 H new ATOM 0 HA ARG A 11 -0.704 -13.245 -11.527 1.00 55.52 H new ATOM 0 HB2 ARG A 11 1.170 -13.929 -12.998 1.00 3.44 H new ATOM 0 HB3 ARG A 11 1.610 -13.971 -11.303 1.00 3.44 H new ATOM 0 HG2 ARG A 11 1.430 -16.431 -11.268 1.00 32.42 H new ATOM 0 HG3 ARG A 11 0.841 -16.446 -12.919 1.00 32.42 H new ATOM 0 HD2 ARG A 11 3.254 -17.032 -12.802 1.00 23.42 H new ATOM 0 HD3 ARG A 11 2.986 -15.586 -13.755 1.00 23.42 H new ATOM 0 HE ARG A 11 4.019 -15.592 -10.932 1.00 71.12 H new ATOM 0 HH11 ARG A 11 3.851 -14.089 -14.151 1.00 13.54 H new ATOM 0 HH12 ARG A 11 5.012 -12.825 -13.731 1.00 13.54 H new ATOM 0 HH21 ARG A 11 5.474 -13.954 -10.428 1.00 64.12 H new ATOM 0 HH22 ARG A 11 5.920 -12.751 -11.643 1.00 64.12 H new ATOM 192 N HIS A 12 -1.762 -13.879 -13.685 1.00 0.11 N ATOM 193 CA HIS A 12 -2.560 -14.117 -14.904 1.00 45.45 C ATOM 194 C HIS A 12 -2.673 -12.792 -15.689 1.00 71.10 C ATOM 195 O HIS A 12 -2.067 -11.780 -15.300 1.00 50.40 O ATOM 196 CB HIS A 12 -3.970 -14.708 -14.580 1.00 53.54 C ATOM 197 CG HIS A 12 -4.786 -13.911 -13.592 1.00 63.30 C ATOM 198 ND1 HIS A 12 -4.623 -14.034 -12.234 1.00 55.01 N ATOM 199 CD2 HIS A 12 -5.778 -13.001 -13.763 1.00 40.21 C ATOM 200 CE1 HIS A 12 -5.467 -13.239 -11.614 1.00 70.31 C ATOM 201 NE2 HIS A 12 -6.185 -12.597 -12.513 1.00 70.02 N ATOM 0 H HIS A 12 -1.500 -12.900 -13.573 1.00 0.11 H new ATOM 0 HA HIS A 12 -2.053 -14.864 -15.515 1.00 45.45 H new ATOM 0 HB2 HIS A 12 -4.534 -14.792 -15.509 1.00 53.54 H new ATOM 0 HB3 HIS A 12 -3.843 -15.718 -14.191 1.00 53.54 H new ATOM 0 HD2 HIS A 12 -6.175 -12.657 -14.707 1.00 40.21 H new ATOM 0 HE1 HIS A 12 -5.557 -13.130 -10.543 1.00 70.31 H new ATOM 0 HE2 HIS A 12 -6.918 -11.916 -12.315 1.00 70.02 H new ATOM 210 N THR A 13 -3.446 -12.817 -16.784 1.00 14.24 N ATOM 211 CA THR A 13 -3.721 -11.633 -17.626 1.00 43.30 C ATOM 212 C THR A 13 -4.582 -10.559 -16.876 1.00 13.51 C ATOM 213 O THR A 13 -5.084 -10.830 -15.779 1.00 53.01 O ATOM 214 CB THR A 13 -4.444 -12.113 -18.932 1.00 32.21 C ATOM 215 OG1 THR A 13 -5.556 -12.956 -18.585 1.00 41.24 O ATOM 216 CG2 THR A 13 -3.482 -12.867 -19.871 1.00 42.54 C ATOM 0 H THR A 13 -3.904 -13.665 -17.117 1.00 14.24 H new ATOM 0 HA THR A 13 -2.776 -11.149 -17.873 1.00 43.30 H new ATOM 0 HB THR A 13 -4.801 -11.232 -19.465 1.00 32.21 H new ATOM 0 HG1 THR A 13 -6.129 -13.082 -19.370 1.00 41.24 H new ATOM 0 HG21 THR A 13 -4.020 -13.184 -20.765 1.00 42.54 H new ATOM 0 HG22 THR A 13 -2.661 -12.209 -20.156 1.00 42.54 H new ATOM 0 HG23 THR A 13 -3.084 -13.742 -19.358 1.00 42.54 H new ATOM 224 N PRO A 14 -4.753 -9.307 -17.441 1.00 62.13 N ATOM 225 CA PRO A 14 -5.693 -8.291 -16.885 1.00 33.22 C ATOM 226 C PRO A 14 -7.165 -8.751 -16.858 1.00 23.03 C ATOM 227 O PRO A 14 -7.987 -8.125 -16.180 1.00 63.22 O ATOM 228 CB PRO A 14 -5.514 -7.063 -17.820 1.00 42.54 C ATOM 229 CG PRO A 14 -4.894 -7.619 -19.064 1.00 51.02 C ATOM 230 CD PRO A 14 -3.995 -8.737 -18.591 1.00 35.44 C ATOM 0 HA PRO A 14 -5.465 -8.084 -15.839 1.00 33.22 H new ATOM 0 HB2 PRO A 14 -6.470 -6.585 -18.034 1.00 42.54 H new ATOM 0 HB3 PRO A 14 -4.875 -6.307 -17.363 1.00 42.54 H new ATOM 0 HG2 PRO A 14 -5.654 -7.989 -19.752 1.00 51.02 H new ATOM 0 HG3 PRO A 14 -4.327 -6.856 -19.597 1.00 51.02 H new ATOM 0 HD2 PRO A 14 -3.827 -9.479 -19.372 1.00 35.44 H new ATOM 0 HD3 PRO A 14 -3.016 -8.367 -18.287 1.00 35.44 H new ATOM 238 N GLU A 15 -7.470 -9.835 -17.603 1.00 64.33 N ATOM 239 CA GLU A 15 -8.817 -10.424 -17.680 1.00 63.20 C ATOM 240 C GLU A 15 -9.319 -10.856 -16.281 1.00 15.13 C ATOM 241 O GLU A 15 -8.901 -11.900 -15.755 1.00 10.33 O ATOM 242 CB GLU A 15 -8.802 -11.631 -18.649 1.00 2.42 C ATOM 243 CG GLU A 15 -8.276 -11.301 -20.053 1.00 65.32 C ATOM 244 CD GLU A 15 -8.299 -12.517 -20.986 1.00 11.30 C ATOM 245 OE1 GLU A 15 -7.295 -13.258 -21.048 1.00 3.41 O ATOM 246 OE2 GLU A 15 -9.336 -12.757 -21.643 1.00 0.14 O1- ATOM 0 H GLU A 15 -6.780 -10.327 -18.171 1.00 64.33 H new ATOM 0 HA GLU A 15 -9.505 -9.669 -18.059 1.00 63.20 H new ATOM 0 HB2 GLU A 15 -8.187 -12.421 -18.219 1.00 2.42 H new ATOM 0 HB3 GLU A 15 -9.814 -12.026 -18.735 1.00 2.42 H new ATOM 0 HG2 GLU A 15 -8.879 -10.503 -20.486 1.00 65.32 H new ATOM 0 HG3 GLU A 15 -7.256 -10.924 -19.977 1.00 65.32 H new ATOM 253 N ALA A 16 -10.192 -10.021 -15.694 1.00 22.30 N ATOM 254 CA ALA A 16 -10.743 -10.215 -14.340 1.00 42.55 C ATOM 255 C ALA A 16 -12.027 -9.364 -14.188 1.00 52.31 C ATOM 256 O ALA A 16 -12.645 -8.990 -15.192 1.00 13.01 O ATOM 257 CB ALA A 16 -9.667 -9.814 -13.297 1.00 51.43 C ATOM 0 H ALA A 16 -10.541 -9.179 -16.152 1.00 22.30 H new ATOM 0 HA ALA A 16 -11.007 -11.260 -14.176 1.00 42.55 H new ATOM 0 HB1 ALA A 16 -10.065 -9.954 -12.292 1.00 51.43 H new ATOM 0 HB2 ALA A 16 -8.783 -10.438 -13.428 1.00 51.43 H new ATOM 0 HB3 ALA A 16 -9.396 -8.768 -13.438 1.00 51.43 H new ATOM 263 N GLU A 17 -12.432 -9.076 -12.935 1.00 41.15 N ATOM 264 CA GLU A 17 -13.533 -8.131 -12.635 1.00 5.51 C ATOM 265 C GLU A 17 -13.070 -6.671 -12.837 1.00 0.03 C ATOM 266 O GLU A 17 -11.938 -6.416 -13.282 1.00 14.14 O ATOM 267 CB GLU A 17 -14.056 -8.344 -11.187 1.00 23.03 C ATOM 268 CG GLU A 17 -14.876 -9.637 -10.961 1.00 12.31 C ATOM 269 CD GLU A 17 -14.109 -10.952 -11.238 1.00 71.32 C ATOM 270 OE1 GLU A 17 -13.046 -11.165 -10.619 1.00 74.35 O ATOM 271 OE2 GLU A 17 -14.578 -11.779 -12.048 1.00 75.54 O1- ATOM 0 H GLU A 17 -12.009 -9.489 -12.104 1.00 41.15 H new ATOM 0 HA GLU A 17 -14.351 -8.328 -13.328 1.00 5.51 H new ATOM 0 HB2 GLU A 17 -13.203 -8.351 -10.508 1.00 23.03 H new ATOM 0 HB3 GLU A 17 -14.674 -7.489 -10.913 1.00 23.03 H new ATOM 0 HG2 GLU A 17 -15.230 -9.650 -9.930 1.00 12.31 H new ATOM 0 HG3 GLU A 17 -15.758 -9.607 -11.600 1.00 12.31 H new ATOM 278 N ASN A 18 -13.967 -5.715 -12.518 1.00 41.43 N ATOM 279 CA ASN A 18 -13.676 -4.268 -12.614 1.00 21.42 C ATOM 280 C ASN A 18 -12.516 -3.869 -11.660 1.00 21.22 C ATOM 281 O ASN A 18 -12.390 -4.455 -10.568 1.00 12.53 O ATOM 282 CB ASN A 18 -14.937 -3.421 -12.268 1.00 14.31 C ATOM 283 CG ASN A 18 -16.052 -3.443 -13.326 1.00 44.14 C ATOM 284 OD1 ASN A 18 -16.216 -4.547 -14.054 1.00 62.35 O flip ATOM 285 ND2 ASN A 18 -16.777 -2.460 -13.481 1.00 75.23 N flip ATOM 0 H ASN A 18 -14.910 -5.922 -12.188 1.00 41.43 H new ATOM 0 HA ASN A 18 -13.379 -4.065 -13.643 1.00 21.42 H new ATOM 0 HB2 ASN A 18 -15.347 -3.779 -11.324 1.00 14.31 H new ATOM 0 HB3 ASN A 18 -14.628 -2.388 -12.110 1.00 14.31 H new ATOM 0 HD21 ASN A 18 -16.633 -1.625 -12.912 1.00 75.23 H new ATOM 0 HD22 ASN A 18 -17.521 -2.480 -14.178 1.00 75.23 H new ATOM 292 N PRO A 19 -11.650 -2.867 -12.060 1.00 2.55 N ATOM 293 CA PRO A 19 -10.610 -2.277 -11.171 1.00 60.43 C ATOM 294 C PRO A 19 -11.177 -1.781 -9.816 1.00 3.11 C ATOM 295 O PRO A 19 -12.379 -1.493 -9.705 1.00 4.23 O ATOM 296 CB PRO A 19 -10.038 -1.100 -12.011 1.00 50.32 C ATOM 297 CG PRO A 19 -10.275 -1.513 -13.433 1.00 52.41 C ATOM 298 CD PRO A 19 -11.598 -2.254 -13.416 1.00 3.54 C ATOM 0 HA PRO A 19 -9.858 -3.013 -10.887 1.00 60.43 H new ATOM 0 HB2 PRO A 19 -10.544 -0.163 -11.779 1.00 50.32 H new ATOM 0 HB3 PRO A 19 -8.977 -0.948 -11.812 1.00 50.32 H new ATOM 0 HG2 PRO A 19 -10.317 -0.647 -14.093 1.00 52.41 H new ATOM 0 HG3 PRO A 19 -9.470 -2.152 -13.797 1.00 52.41 H new ATOM 0 HD2 PRO A 19 -12.437 -1.577 -13.581 1.00 3.54 H new ATOM 0 HD3 PRO A 19 -11.641 -3.012 -14.198 1.00 3.54 H new ATOM 306 N ALA A 20 -10.285 -1.730 -8.800 1.00 23.44 N ATOM 307 CA ALA A 20 -10.588 -1.305 -7.409 1.00 32.24 C ATOM 308 C ALA A 20 -11.268 -2.416 -6.564 1.00 24.54 C ATOM 309 O ALA A 20 -11.276 -2.330 -5.331 1.00 31.11 O ATOM 310 CB ALA A 20 -11.369 0.025 -7.348 1.00 30.20 C ATOM 0 H ALA A 20 -9.307 -1.990 -8.926 1.00 23.44 H new ATOM 0 HA ALA A 20 -9.618 -1.122 -6.947 1.00 32.24 H new ATOM 0 HB1 ALA A 20 -11.562 0.286 -6.308 1.00 30.20 H new ATOM 0 HB2 ALA A 20 -10.781 0.814 -7.817 1.00 30.20 H new ATOM 0 HB3 ALA A 20 -12.316 -0.085 -7.877 1.00 30.20 H new ATOM 316 N GLU A 21 -11.821 -3.464 -7.216 1.00 71.04 N ATOM 317 CA GLU A 21 -12.436 -4.617 -6.520 1.00 42.43 C ATOM 318 C GLU A 21 -11.494 -5.848 -6.563 1.00 33.21 C ATOM 319 O GLU A 21 -10.645 -6.015 -5.672 1.00 34.25 O ATOM 320 CB GLU A 21 -13.838 -4.927 -7.126 1.00 70.10 C ATOM 321 CG GLU A 21 -14.834 -3.752 -7.041 1.00 53.42 C ATOM 322 CD GLU A 21 -16.233 -4.103 -7.575 1.00 53.03 C ATOM 323 OE1 GLU A 21 -16.503 -3.886 -8.776 1.00 0.41 O ATOM 324 OE2 GLU A 21 -17.067 -4.608 -6.790 1.00 65.45 O1- ATOM 0 H GLU A 21 -11.854 -3.534 -8.233 1.00 71.04 H new ATOM 0 HA GLU A 21 -12.582 -4.364 -5.470 1.00 42.43 H new ATOM 0 HB2 GLU A 21 -13.716 -5.211 -8.171 1.00 70.10 H new ATOM 0 HB3 GLU A 21 -14.263 -5.788 -6.610 1.00 70.10 H new ATOM 0 HG2 GLU A 21 -14.919 -3.430 -6.003 1.00 53.42 H new ATOM 0 HG3 GLU A 21 -14.438 -2.907 -7.605 1.00 53.42 H new ATOM 331 N ALA A 22 -11.599 -6.678 -7.630 1.00 40.12 N ATOM 332 CA ALA A 22 -10.807 -7.934 -7.756 1.00 60.20 C ATOM 333 C ALA A 22 -9.448 -7.691 -8.434 1.00 71.35 C ATOM 334 O ALA A 22 -8.695 -8.638 -8.719 1.00 20.20 O ATOM 335 CB ALA A 22 -11.608 -8.991 -8.518 1.00 41.34 C ATOM 0 H ALA A 22 -12.223 -6.503 -8.417 1.00 40.12 H new ATOM 0 HA ALA A 22 -10.605 -8.299 -6.749 1.00 60.20 H new ATOM 0 HB1 ALA A 22 -11.018 -9.903 -8.603 1.00 41.34 H new ATOM 0 HB2 ALA A 22 -12.532 -9.205 -7.980 1.00 41.34 H new ATOM 0 HB3 ALA A 22 -11.846 -8.619 -9.514 1.00 41.34 H new ATOM 341 N ASP A 23 -9.137 -6.407 -8.662 1.00 72.01 N ATOM 342 CA ASP A 23 -7.848 -5.956 -9.211 1.00 31.21 C ATOM 343 C ASP A 23 -6.792 -5.839 -8.074 1.00 15.11 C ATOM 344 O ASP A 23 -5.651 -5.441 -8.318 1.00 51.35 O ATOM 345 CB ASP A 23 -8.084 -4.589 -9.916 1.00 43.22 C ATOM 346 CG ASP A 23 -6.969 -4.173 -10.898 1.00 41.14 C ATOM 347 OD1 ASP A 23 -6.202 -3.211 -10.626 1.00 20.40 O ATOM 348 OD2 ASP A 23 -6.880 -4.802 -11.967 1.00 62.31 O1- ATOM 0 H ASP A 23 -9.782 -5.641 -8.468 1.00 72.01 H new ATOM 0 HA ASP A 23 -7.461 -6.675 -9.933 1.00 31.21 H new ATOM 0 HB2 ASP A 23 -9.029 -4.632 -10.457 1.00 43.22 H new ATOM 0 HB3 ASP A 23 -8.187 -3.815 -9.155 1.00 43.22 H new ATOM 353 N LEU A 24 -7.220 -6.211 -6.830 1.00 70.13 N ATOM 354 CA LEU A 24 -6.419 -6.131 -5.580 1.00 15.42 C ATOM 355 C LEU A 24 -5.023 -6.774 -5.772 1.00 54.23 C ATOM 356 O LEU A 24 -4.954 -7.917 -6.231 1.00 53.50 O ATOM 357 CB LEU A 24 -7.196 -6.866 -4.441 1.00 23.13 C ATOM 358 CG LEU A 24 -6.592 -6.777 -2.999 1.00 54.24 C ATOM 359 CD1 LEU A 24 -6.705 -5.352 -2.403 1.00 23.24 C ATOM 360 CD2 LEU A 24 -7.242 -7.830 -2.074 1.00 25.41 C ATOM 0 H LEU A 24 -8.156 -6.583 -6.671 1.00 70.13 H new ATOM 0 HA LEU A 24 -6.269 -5.084 -5.317 1.00 15.42 H new ATOM 0 HB2 LEU A 24 -8.210 -6.466 -4.409 1.00 23.13 H new ATOM 0 HB3 LEU A 24 -7.277 -7.919 -4.710 1.00 23.13 H new ATOM 0 HG LEU A 24 -5.527 -6.997 -3.075 1.00 54.24 H new ATOM 0 HD11 LEU A 24 -6.273 -5.341 -1.402 1.00 23.24 H new ATOM 0 HD12 LEU A 24 -6.167 -4.648 -3.038 1.00 23.24 H new ATOM 0 HD13 LEU A 24 -7.754 -5.063 -2.348 1.00 23.24 H new ATOM 0 HD21 LEU A 24 -6.810 -7.754 -1.076 1.00 25.41 H new ATOM 0 HD22 LEU A 24 -8.316 -7.653 -2.019 1.00 25.41 H new ATOM 0 HD23 LEU A 24 -7.059 -8.828 -2.473 1.00 25.41 H new ATOM 372 N PRO A 25 -3.898 -6.052 -5.415 1.00 3.20 N ATOM 373 CA PRO A 25 -2.513 -6.443 -5.795 1.00 15.23 C ATOM 374 C PRO A 25 -2.129 -7.872 -5.361 1.00 10.44 C ATOM 375 O PRO A 25 -2.360 -8.269 -4.207 1.00 65.24 O ATOM 376 CB PRO A 25 -1.636 -5.385 -5.086 1.00 54.21 C ATOM 377 CG PRO A 25 -2.533 -4.221 -4.867 1.00 73.12 C ATOM 378 CD PRO A 25 -3.885 -4.817 -4.579 1.00 44.30 C ATOM 0 HA PRO A 25 -2.389 -6.465 -6.878 1.00 15.23 H new ATOM 0 HB2 PRO A 25 -1.246 -5.765 -4.142 1.00 54.21 H new ATOM 0 HB3 PRO A 25 -0.777 -5.111 -5.698 1.00 54.21 H new ATOM 0 HG2 PRO A 25 -2.187 -3.608 -4.035 1.00 73.12 H new ATOM 0 HG3 PRO A 25 -2.565 -3.577 -5.746 1.00 73.12 H new ATOM 0 HD2 PRO A 25 -4.007 -5.046 -3.520 1.00 44.30 H new ATOM 0 HD3 PRO A 25 -4.692 -4.137 -4.853 1.00 44.30 H new ATOM 386 N GLN A 26 -1.506 -8.614 -6.288 1.00 23.25 N ATOM 387 CA GLN A 26 -1.300 -10.068 -6.158 1.00 65.11 C ATOM 388 C GLN A 26 0.161 -10.365 -5.783 1.00 1.14 C ATOM 389 O GLN A 26 1.049 -10.165 -6.616 1.00 24.32 O ATOM 390 CB GLN A 26 -1.660 -10.793 -7.496 1.00 40.32 C ATOM 391 CG GLN A 26 -3.065 -10.493 -8.093 1.00 4.01 C ATOM 392 CD GLN A 26 -3.163 -9.132 -8.808 1.00 1.43 C ATOM 393 OE1 GLN A 26 -2.174 -8.621 -9.331 1.00 43.54 O ATOM 394 NE2 GLN A 26 -4.353 -8.552 -8.860 1.00 74.32 N ATOM 0 H GLN A 26 -1.129 -8.224 -7.152 1.00 23.25 H new ATOM 0 HA GLN A 26 -1.954 -10.439 -5.369 1.00 65.11 H new ATOM 0 HB2 GLN A 26 -0.909 -10.527 -8.240 1.00 40.32 H new ATOM 0 HB3 GLN A 26 -1.581 -11.868 -7.333 1.00 40.32 H new ATOM 0 HG2 GLN A 26 -3.325 -11.282 -8.798 1.00 4.01 H new ATOM 0 HG3 GLN A 26 -3.804 -10.525 -7.292 1.00 4.01 H new ATOM 0 HE21 GLN A 26 -5.157 -8.997 -8.418 1.00 74.32 H new ATOM 0 HE22 GLN A 26 -4.465 -7.660 -9.342 1.00 74.32 H new ATOM 403 N GLY A 27 0.402 -10.820 -4.541 1.00 31.41 N ATOM 404 CA GLY A 27 1.758 -11.167 -4.073 1.00 21.34 C ATOM 405 C GLY A 27 2.120 -10.430 -2.791 1.00 51.41 C ATOM 406 O GLY A 27 1.399 -9.515 -2.367 1.00 3.13 O ATOM 0 H GLY A 27 -0.326 -10.957 -3.840 1.00 31.41 H new ATOM 0 HA2 GLY A 27 1.820 -12.242 -3.904 1.00 21.34 H new ATOM 0 HA3 GLY A 27 2.484 -10.924 -4.849 1.00 21.34 H new ATOM 410 N ASP A 28 3.263 -10.819 -2.195 1.00 13.12 N ATOM 411 CA ASP A 28 3.720 -10.313 -0.883 1.00 41.31 C ATOM 412 C ASP A 28 4.128 -8.827 -0.945 1.00 24.25 C ATOM 413 O ASP A 28 3.747 -8.034 -0.073 1.00 13.01 O ATOM 414 CB ASP A 28 4.903 -11.185 -0.374 1.00 22.33 C ATOM 415 CG ASP A 28 5.485 -10.705 0.966 1.00 52.42 C ATOM 416 OD1 ASP A 28 6.468 -9.930 0.969 1.00 1.20 O ATOM 417 OD2 ASP A 28 4.949 -11.087 2.028 1.00 45.23 O1- ATOM 0 H ASP A 28 3.901 -11.497 -2.612 1.00 13.12 H new ATOM 0 HA ASP A 28 2.886 -10.384 -0.184 1.00 41.31 H new ATOM 0 HB2 ASP A 28 4.565 -12.215 -0.266 1.00 22.33 H new ATOM 0 HB3 ASP A 28 5.693 -11.186 -1.125 1.00 22.33 H new ATOM 422 N ILE A 29 4.913 -8.464 -1.974 1.00 45.12 N ATOM 423 CA ILE A 29 5.422 -7.087 -2.145 1.00 72.23 C ATOM 424 C ILE A 29 4.281 -6.148 -2.552 1.00 33.44 C ATOM 425 O ILE A 29 4.175 -5.031 -2.053 1.00 40.41 O ATOM 426 CB ILE A 29 6.579 -7.028 -3.210 1.00 73.14 C ATOM 427 CG1 ILE A 29 7.718 -8.013 -2.827 1.00 61.55 C ATOM 428 CG2 ILE A 29 7.142 -5.595 -3.372 1.00 44.52 C ATOM 429 CD1 ILE A 29 8.345 -7.771 -1.454 1.00 22.02 C ATOM 0 H ILE A 29 5.212 -9.108 -2.706 1.00 45.12 H new ATOM 0 HA ILE A 29 5.831 -6.761 -1.189 1.00 72.23 H new ATOM 0 HB ILE A 29 6.155 -7.326 -4.169 1.00 73.14 H new ATOM 0 HG12 ILE A 29 7.325 -9.029 -2.856 1.00 61.55 H new ATOM 0 HG13 ILE A 29 8.501 -7.952 -3.583 1.00 61.55 H new ATOM 0 HG21 ILE A 29 7.938 -5.599 -4.116 1.00 44.52 H new ATOM 0 HG22 ILE A 29 6.345 -4.926 -3.697 1.00 44.52 H new ATOM 0 HG23 ILE A 29 7.539 -5.250 -2.417 1.00 44.52 H new ATOM 0 HD11 ILE A 29 9.129 -8.507 -1.277 1.00 22.02 H new ATOM 0 HD12 ILE A 29 8.774 -6.769 -1.421 1.00 22.02 H new ATOM 0 HD13 ILE A 29 7.580 -7.863 -0.683 1.00 22.02 H new ATOM 441 N GLU A 30 3.405 -6.652 -3.422 1.00 34.21 N ATOM 442 CA GLU A 30 2.286 -5.892 -3.977 1.00 13.43 C ATOM 443 C GLU A 30 1.264 -5.549 -2.875 1.00 61.33 C ATOM 444 O GLU A 30 0.716 -4.446 -2.862 1.00 22.24 O ATOM 445 CB GLU A 30 1.617 -6.696 -5.128 1.00 74.55 C ATOM 446 CG GLU A 30 2.491 -6.928 -6.388 1.00 75.30 C ATOM 447 CD GLU A 30 3.754 -7.773 -6.130 1.00 21.25 C ATOM 448 OE1 GLU A 30 3.617 -8.914 -5.646 1.00 53.31 O ATOM 449 OE2 GLU A 30 4.877 -7.307 -6.403 1.00 11.23 O1- ATOM 0 H GLU A 30 3.454 -7.611 -3.765 1.00 34.21 H new ATOM 0 HA GLU A 30 2.663 -4.954 -4.385 1.00 13.43 H new ATOM 0 HB2 GLU A 30 1.312 -7.667 -4.737 1.00 74.55 H new ATOM 0 HB3 GLU A 30 0.709 -6.174 -5.430 1.00 74.55 H new ATOM 0 HG2 GLU A 30 1.887 -7.420 -7.151 1.00 75.30 H new ATOM 0 HG3 GLU A 30 2.790 -5.961 -6.793 1.00 75.30 H new ATOM 456 N LYS A 31 1.034 -6.496 -1.937 1.00 42.42 N ATOM 457 CA LYS A 31 0.089 -6.290 -0.815 1.00 20.43 C ATOM 458 C LYS A 31 0.691 -5.309 0.222 1.00 72.31 C ATOM 459 O LYS A 31 -0.044 -4.572 0.892 1.00 64.23 O ATOM 460 CB LYS A 31 -0.298 -7.652 -0.143 1.00 51.54 C ATOM 461 CG LYS A 31 0.678 -8.160 0.940 1.00 73.43 C ATOM 462 CD LYS A 31 0.363 -9.585 1.441 1.00 15.44 C ATOM 463 CE LYS A 31 1.110 -9.919 2.744 1.00 1.21 C ATOM 464 NZ LYS A 31 2.576 -9.664 2.660 1.00 24.03 N1+ ATOM 0 H LYS A 31 1.489 -7.409 -1.935 1.00 42.42 H new ATOM 0 HA LYS A 31 -0.825 -5.851 -1.214 1.00 20.43 H new ATOM 0 HB2 LYS A 31 -1.287 -7.549 0.304 1.00 51.54 H new ATOM 0 HB3 LYS A 31 -0.377 -8.411 -0.921 1.00 51.54 H new ATOM 0 HG2 LYS A 31 1.692 -8.141 0.540 1.00 73.43 H new ATOM 0 HG3 LYS A 31 0.656 -7.474 1.787 1.00 73.43 H new ATOM 0 HD2 LYS A 31 -0.710 -9.682 1.604 1.00 15.44 H new ATOM 0 HD3 LYS A 31 0.636 -10.308 0.672 1.00 15.44 H new ATOM 0 HE2 LYS A 31 0.691 -9.328 3.558 1.00 1.21 H new ATOM 0 HE3 LYS A 31 0.943 -10.967 2.993 1.00 1.21 H new ATOM 0 HZ1 LYS A 31 3.008 -9.810 3.595 1.00 24.03 H new ATOM 0 HZ2 LYS A 31 3.004 -10.319 1.975 1.00 24.03 H new ATOM 0 HZ3 LYS A 31 2.741 -8.685 2.352 1.00 24.03 H new ATOM 478 N GLN A 32 2.039 -5.307 0.325 1.00 51.34 N ATOM 479 CA GLN A 32 2.785 -4.436 1.251 1.00 62.33 C ATOM 480 C GLN A 32 2.661 -2.972 0.814 1.00 21.14 C ATOM 481 O GLN A 32 2.253 -2.102 1.597 1.00 14.51 O ATOM 482 CB GLN A 32 4.278 -4.859 1.296 1.00 61.30 C ATOM 483 CG GLN A 32 5.142 -4.050 2.279 1.00 31.30 C ATOM 484 CD GLN A 32 6.634 -4.385 2.194 1.00 61.40 C ATOM 485 OE1 GLN A 32 7.155 -4.711 1.125 1.00 73.41 O ATOM 486 NE2 GLN A 32 7.327 -4.346 3.318 1.00 35.14 N ATOM 0 H GLN A 32 2.639 -5.913 -0.235 1.00 51.34 H new ATOM 0 HA GLN A 32 2.362 -4.540 2.250 1.00 62.33 H new ATOM 0 HB2 GLN A 32 4.336 -5.914 1.565 1.00 61.30 H new ATOM 0 HB3 GLN A 32 4.700 -4.761 0.296 1.00 61.30 H new ATOM 0 HG2 GLN A 32 5.004 -2.987 2.083 1.00 31.30 H new ATOM 0 HG3 GLN A 32 4.793 -4.234 3.295 1.00 31.30 H new ATOM 0 HE21 GLN A 32 6.871 -4.073 4.189 1.00 35.14 H new ATOM 0 HE22 GLN A 32 8.318 -4.589 3.315 1.00 35.14 H new ATOM 495 N VAL A 33 3.005 -2.736 -0.462 1.00 55.22 N ATOM 496 CA VAL A 33 2.909 -1.422 -1.102 1.00 63.40 C ATOM 497 C VAL A 33 1.443 -0.933 -1.103 1.00 62.45 C ATOM 498 O VAL A 33 1.180 0.247 -0.875 1.00 21.44 O ATOM 499 CB VAL A 33 3.494 -1.482 -2.565 1.00 20.12 C ATOM 500 CG1 VAL A 33 3.386 -0.127 -3.297 1.00 14.22 C ATOM 501 CG2 VAL A 33 4.962 -1.976 -2.550 1.00 32.25 C ATOM 0 H VAL A 33 3.361 -3.463 -1.082 1.00 55.22 H new ATOM 0 HA VAL A 33 3.502 -0.706 -0.533 1.00 63.40 H new ATOM 0 HB VAL A 33 2.887 -2.197 -3.120 1.00 20.12 H new ATOM 0 HG11 VAL A 33 3.802 -0.221 -4.300 1.00 14.22 H new ATOM 0 HG12 VAL A 33 2.339 0.167 -3.365 1.00 14.22 H new ATOM 0 HG13 VAL A 33 3.941 0.631 -2.744 1.00 14.22 H new ATOM 0 HG21 VAL A 33 5.345 -2.010 -3.570 1.00 32.25 H new ATOM 0 HG22 VAL A 33 5.570 -1.293 -1.956 1.00 32.25 H new ATOM 0 HG23 VAL A 33 5.006 -2.974 -2.113 1.00 32.25 H new ATOM 511 N ALA A 34 0.496 -1.883 -1.294 1.00 42.41 N ATOM 512 CA ALA A 34 -0.954 -1.604 -1.239 1.00 41.32 C ATOM 513 C ALA A 34 -1.367 -1.031 0.115 1.00 23.24 C ATOM 514 O ALA A 34 -2.067 -0.019 0.175 1.00 71.30 O ATOM 515 CB ALA A 34 -1.762 -2.868 -1.542 1.00 32.45 C ATOM 0 H ALA A 34 0.718 -2.859 -1.490 1.00 42.41 H new ATOM 0 HA ALA A 34 -1.168 -0.855 -2.002 1.00 41.32 H new ATOM 0 HB1 ALA A 34 -2.827 -2.639 -1.496 1.00 32.45 H new ATOM 0 HB2 ALA A 34 -1.511 -3.230 -2.539 1.00 32.45 H new ATOM 0 HB3 ALA A 34 -1.524 -3.637 -0.807 1.00 32.45 H new ATOM 521 N ALA A 35 -0.897 -1.677 1.194 1.00 65.11 N ATOM 522 CA ALA A 35 -1.202 -1.262 2.569 1.00 53.42 C ATOM 523 C ALA A 35 -0.711 0.170 2.828 1.00 23.11 C ATOM 524 O ALA A 35 -1.448 0.993 3.371 1.00 22.43 O ATOM 525 CB ALA A 35 -0.585 -2.236 3.576 1.00 13.22 C ATOM 0 H ALA A 35 -0.296 -2.499 1.136 1.00 65.11 H new ATOM 0 HA ALA A 35 -2.284 -1.278 2.697 1.00 53.42 H new ATOM 0 HB1 ALA A 35 -0.822 -1.911 4.589 1.00 13.22 H new ATOM 0 HB2 ALA A 35 -0.990 -3.235 3.411 1.00 13.22 H new ATOM 0 HB3 ALA A 35 0.497 -2.257 3.446 1.00 13.22 H new ATOM 531 N LEU A 36 0.521 0.457 2.371 1.00 15.54 N ATOM 532 CA LEU A 36 1.172 1.765 2.560 1.00 31.03 C ATOM 533 C LEU A 36 0.403 2.889 1.832 1.00 71.02 C ATOM 534 O LEU A 36 0.179 3.952 2.402 1.00 43.20 O ATOM 535 CB LEU A 36 2.650 1.695 2.089 1.00 61.34 C ATOM 536 CG LEU A 36 3.557 0.680 2.862 1.00 63.04 C ATOM 537 CD1 LEU A 36 4.975 0.620 2.254 1.00 33.13 C ATOM 538 CD2 LEU A 36 3.604 1.003 4.378 1.00 1.31 C ATOM 0 H LEU A 36 1.094 -0.214 1.859 1.00 15.54 H new ATOM 0 HA LEU A 36 1.158 2.006 3.623 1.00 31.03 H new ATOM 0 HB2 LEU A 36 2.664 1.435 1.031 1.00 61.34 H new ATOM 0 HB3 LEU A 36 3.089 2.689 2.178 1.00 61.34 H new ATOM 0 HG LEU A 36 3.111 -0.308 2.753 1.00 63.04 H new ATOM 0 HD11 LEU A 36 5.581 -0.094 2.813 1.00 33.13 H new ATOM 0 HD12 LEU A 36 4.911 0.305 1.213 1.00 33.13 H new ATOM 0 HD13 LEU A 36 5.436 1.606 2.307 1.00 33.13 H new ATOM 0 HD21 LEU A 36 4.242 0.279 4.885 1.00 1.31 H new ATOM 0 HD22 LEU A 36 4.006 2.006 4.524 1.00 1.31 H new ATOM 0 HD23 LEU A 36 2.597 0.951 4.792 1.00 1.31 H new ATOM 550 N TRP A 37 -0.021 2.631 0.581 1.00 54.24 N ATOM 551 CA TRP A 37 -0.819 3.604 -0.211 1.00 63.41 C ATOM 552 C TRP A 37 -2.194 3.863 0.457 1.00 52.10 C ATOM 553 O TRP A 37 -2.657 4.998 0.504 1.00 22.01 O ATOM 554 CB TRP A 37 -1.042 3.106 -1.664 1.00 51.25 C ATOM 555 CG TRP A 37 0.162 3.091 -2.580 1.00 1.21 C ATOM 556 CD1 TRP A 37 1.473 2.953 -2.247 1.00 55.02 C ATOM 557 CD2 TRP A 37 0.128 3.177 -4.009 1.00 50.52 C ATOM 558 NE1 TRP A 37 2.253 2.965 -3.377 1.00 24.54 N ATOM 559 CE2 TRP A 37 1.452 3.099 -4.469 1.00 12.12 C ATOM 560 CE3 TRP A 37 -0.897 3.319 -4.943 1.00 72.34 C ATOM 561 CZ2 TRP A 37 1.780 3.145 -5.818 1.00 41.23 C ATOM 562 CZ3 TRP A 37 -0.572 3.372 -6.281 1.00 70.12 C ATOM 563 CH2 TRP A 37 0.758 3.285 -6.709 1.00 52.25 C ATOM 0 H TRP A 37 0.173 1.758 0.091 1.00 54.24 H new ATOM 0 HA TRP A 37 -0.251 4.534 -0.242 1.00 63.41 H new ATOM 0 HB2 TRP A 37 -1.444 2.094 -1.617 1.00 51.25 H new ATOM 0 HB3 TRP A 37 -1.808 3.732 -2.122 1.00 51.25 H new ATOM 0 HD1 TRP A 37 1.847 2.849 -1.239 1.00 55.02 H new ATOM 0 HE1 TRP A 37 3.270 2.886 -3.395 1.00 24.54 H new ATOM 0 HE3 TRP A 37 -1.927 3.386 -4.624 1.00 72.34 H new ATOM 0 HZ2 TRP A 37 2.806 3.073 -6.148 1.00 41.23 H new ATOM 0 HZ3 TRP A 37 -1.358 3.483 -7.013 1.00 70.12 H new ATOM 0 HH2 TRP A 37 0.979 3.330 -7.765 1.00 52.25 H new ATOM 574 N GLN A 38 -2.826 2.794 0.982 1.00 2.33 N ATOM 575 CA GLN A 38 -4.151 2.877 1.658 1.00 0.45 C ATOM 576 C GLN A 38 -4.094 3.729 2.946 1.00 42.50 C ATOM 577 O GLN A 38 -5.097 4.328 3.336 1.00 54.34 O ATOM 578 CB GLN A 38 -4.688 1.450 1.968 1.00 34.22 C ATOM 579 CG GLN A 38 -5.128 0.665 0.712 1.00 0.11 C ATOM 580 CD GLN A 38 -5.375 -0.833 0.939 1.00 4.21 C ATOM 581 OE1 GLN A 38 -5.764 -1.263 2.025 1.00 30.10 O ATOM 582 NE2 GLN A 38 -5.145 -1.641 -0.092 1.00 60.33 N ATOM 0 H GLN A 38 -2.441 1.850 0.953 1.00 2.33 H new ATOM 0 HA GLN A 38 -4.838 3.375 0.974 1.00 0.45 H new ATOM 0 HB2 GLN A 38 -3.913 0.885 2.486 1.00 34.22 H new ATOM 0 HB3 GLN A 38 -5.534 1.530 2.650 1.00 34.22 H new ATOM 0 HG2 GLN A 38 -6.042 1.114 0.323 1.00 0.11 H new ATOM 0 HG3 GLN A 38 -4.364 0.780 -0.057 1.00 0.11 H new ATOM 0 HE21 GLN A 38 -4.823 -1.256 -0.980 1.00 60.33 H new ATOM 0 HE22 GLN A 38 -5.291 -2.646 0.005 1.00 60.33 H new ATOM 591 N GLN A 39 -2.912 3.767 3.583 1.00 42.33 N ATOM 592 CA GLN A 39 -2.667 4.558 4.808 1.00 41.25 C ATOM 593 C GLN A 39 -2.343 6.021 4.454 1.00 20.24 C ATOM 594 O GLN A 39 -3.061 6.946 4.858 1.00 61.30 O ATOM 595 CB GLN A 39 -1.491 3.938 5.608 1.00 0.45 C ATOM 596 CG GLN A 39 -1.736 2.496 6.075 1.00 74.12 C ATOM 597 CD GLN A 39 -0.475 1.810 6.610 1.00 64.34 C ATOM 598 OE1 GLN A 39 0.404 2.453 7.187 1.00 21.00 O ATOM 599 NE2 GLN A 39 -0.359 0.512 6.387 1.00 41.43 N ATOM 0 H GLN A 39 -2.094 3.249 3.264 1.00 42.33 H new ATOM 0 HA GLN A 39 -3.570 4.540 5.418 1.00 41.25 H new ATOM 0 HB2 GLN A 39 -0.594 3.960 4.989 1.00 0.45 H new ATOM 0 HB3 GLN A 39 -1.291 4.561 6.480 1.00 0.45 H new ATOM 0 HG2 GLN A 39 -2.498 2.498 6.854 1.00 74.12 H new ATOM 0 HG3 GLN A 39 -2.132 1.914 5.243 1.00 74.12 H new ATOM 0 HE21 GLN A 39 -1.105 0.008 5.907 1.00 41.43 H new ATOM 0 HE22 GLN A 39 0.476 0.014 6.695 1.00 41.43 H new ATOM 608 N LEU A 40 -1.251 6.199 3.687 1.00 3.11 N ATOM 609 CA LEU A 40 -0.687 7.511 3.334 1.00 53.24 C ATOM 610 C LEU A 40 -1.687 8.369 2.518 1.00 52.00 C ATOM 611 O LEU A 40 -1.896 9.547 2.826 1.00 33.43 O ATOM 612 CB LEU A 40 0.656 7.311 2.563 1.00 74.24 C ATOM 613 CG LEU A 40 1.948 7.056 3.429 1.00 21.41 C ATOM 614 CD1 LEU A 40 2.307 8.285 4.310 1.00 42.35 C ATOM 615 CD2 LEU A 40 1.868 5.765 4.294 1.00 42.14 C ATOM 0 H LEU A 40 -0.728 5.419 3.289 1.00 3.11 H new ATOM 0 HA LEU A 40 -0.488 8.061 4.254 1.00 53.24 H new ATOM 0 HB2 LEU A 40 0.533 6.469 1.882 1.00 74.24 H new ATOM 0 HB3 LEU A 40 0.829 8.195 1.949 1.00 74.24 H new ATOM 0 HG LEU A 40 2.752 6.902 2.709 1.00 21.41 H new ATOM 0 HD11 LEU A 40 3.203 8.067 4.891 1.00 42.35 H new ATOM 0 HD12 LEU A 40 2.489 9.149 3.672 1.00 42.35 H new ATOM 0 HD13 LEU A 40 1.480 8.502 4.987 1.00 42.35 H new ATOM 0 HD21 LEU A 40 2.790 5.651 4.864 1.00 42.14 H new ATOM 0 HD22 LEU A 40 1.024 5.838 4.980 1.00 42.14 H new ATOM 0 HD23 LEU A 40 1.734 4.900 3.645 1.00 42.14 H new ATOM 627 N LEU A 41 -2.306 7.760 1.487 1.00 35.22 N ATOM 628 CA LEU A 41 -3.332 8.432 0.650 1.00 70.23 C ATOM 629 C LEU A 41 -4.705 8.430 1.356 1.00 33.32 C ATOM 630 O LEU A 41 -5.583 9.217 0.996 1.00 54.24 O ATOM 631 CB LEU A 41 -3.454 7.741 -0.738 1.00 41.42 C ATOM 632 CG LEU A 41 -2.170 7.694 -1.602 1.00 74.03 C ATOM 633 CD1 LEU A 41 -2.360 6.837 -2.876 1.00 24.14 C ATOM 634 CD2 LEU A 41 -1.688 9.119 -1.945 1.00 12.04 C ATOM 0 H LEU A 41 -2.115 6.797 1.209 1.00 35.22 H new ATOM 0 HA LEU A 41 -3.014 9.464 0.502 1.00 70.23 H new ATOM 0 HB2 LEU A 41 -3.797 6.718 -0.581 1.00 41.42 H new ATOM 0 HB3 LEU A 41 -4.230 8.253 -1.307 1.00 41.42 H new ATOM 0 HG LEU A 41 -1.394 7.209 -1.010 1.00 74.03 H new ATOM 0 HD11 LEU A 41 -1.435 6.832 -3.452 1.00 24.14 H new ATOM 0 HD12 LEU A 41 -2.617 5.816 -2.593 1.00 24.14 H new ATOM 0 HD13 LEU A 41 -3.162 7.258 -3.482 1.00 24.14 H new ATOM 0 HD21 LEU A 41 -0.785 9.061 -2.552 1.00 12.04 H new ATOM 0 HD22 LEU A 41 -2.466 9.642 -2.501 1.00 12.04 H new ATOM 0 HD23 LEU A 41 -1.472 9.661 -1.025 1.00 12.04 H new ATOM 646 N SER A 42 -4.869 7.514 2.339 1.00 20.12 N ATOM 647 CA SER A 42 -6.106 7.355 3.144 1.00 20.24 C ATOM 648 C SER A 42 -7.299 6.961 2.239 1.00 22.53 C ATOM 649 O SER A 42 -8.385 7.561 2.300 1.00 31.52 O ATOM 650 CB SER A 42 -6.395 8.636 3.977 1.00 50.24 C ATOM 651 OG SER A 42 -5.269 9.002 4.764 1.00 21.51 O ATOM 0 H SER A 42 -4.136 6.855 2.600 1.00 20.12 H new ATOM 0 HA SER A 42 -5.958 6.542 3.855 1.00 20.24 H new ATOM 0 HB2 SER A 42 -6.657 9.456 3.309 1.00 50.24 H new ATOM 0 HB3 SER A 42 -7.255 8.466 4.625 1.00 50.24 H new ATOM 0 HG SER A 42 -4.605 8.281 4.740 1.00 21.51 H new ATOM 657 N THR A 43 -7.075 5.922 1.414 1.00 74.42 N ATOM 658 CA THR A 43 -8.026 5.472 0.374 1.00 15.14 C ATOM 659 C THR A 43 -8.814 4.241 0.842 1.00 0.14 C ATOM 660 O THR A 43 -8.351 3.496 1.715 1.00 71.40 O ATOM 661 CB THR A 43 -7.256 5.110 -0.942 1.00 13.14 C ATOM 662 OG1 THR A 43 -6.343 4.026 -0.690 1.00 63.00 O ATOM 663 CG2 THR A 43 -6.461 6.301 -1.483 1.00 3.04 C ATOM 0 H THR A 43 -6.222 5.364 1.449 1.00 74.42 H new ATOM 0 HA THR A 43 -8.722 6.289 0.185 1.00 15.14 H new ATOM 0 HB THR A 43 -8.000 4.822 -1.685 1.00 13.14 H new ATOM 0 HG1 THR A 43 -6.753 3.181 -0.971 1.00 63.00 H new ATOM 0 HG21 THR A 43 -5.942 6.008 -2.396 1.00 3.04 H new ATOM 0 HG22 THR A 43 -7.142 7.124 -1.701 1.00 3.04 H new ATOM 0 HG23 THR A 43 -5.732 6.621 -0.738 1.00 3.04 H new ATOM 671 N GLY A 44 -9.996 4.031 0.224 1.00 53.13 N ATOM 672 CA GLY A 44 -10.807 2.837 0.472 1.00 64.52 C ATOM 673 C GLY A 44 -10.069 1.567 0.076 1.00 21.32 C ATOM 674 O GLY A 44 -10.035 0.597 0.833 1.00 0.01 O ATOM 0 H GLY A 44 -10.404 4.679 -0.450 1.00 53.13 H new ATOM 0 HA2 GLY A 44 -11.073 2.790 1.528 1.00 64.52 H new ATOM 0 HA3 GLY A 44 -11.739 2.907 -0.089 1.00 64.52 H new ATOM 678 N ASN A 45 -9.439 1.615 -1.109 1.00 43.32 N ATOM 679 CA ASN A 45 -8.572 0.542 -1.612 1.00 33.54 C ATOM 680 C ASN A 45 -7.734 1.067 -2.792 1.00 32.40 C ATOM 681 O ASN A 45 -8.186 1.921 -3.559 1.00 42.11 O ATOM 682 CB ASN A 45 -9.404 -0.700 -2.064 1.00 62.20 C ATOM 683 CG ASN A 45 -8.539 -1.920 -2.439 1.00 2.21 C ATOM 684 OD1 ASN A 45 -7.441 -2.109 -1.908 1.00 4.40 O ATOM 685 ND2 ASN A 45 -9.028 -2.756 -3.342 1.00 11.40 N ATOM 0 H ASN A 45 -9.519 2.406 -1.748 1.00 43.32 H new ATOM 0 HA ASN A 45 -7.914 0.228 -0.802 1.00 33.54 H new ATOM 0 HB2 ASN A 45 -10.086 -0.982 -1.261 1.00 62.20 H new ATOM 0 HB3 ASN A 45 -10.018 -0.423 -2.921 1.00 62.20 H new ATOM 0 HD21 ASN A 45 -8.494 -3.581 -3.615 1.00 11.40 H new ATOM 0 HD22 ASN A 45 -9.938 -2.575 -3.765 1.00 11.40 H new ATOM 692 N VAL A 46 -6.506 0.548 -2.904 1.00 23.21 N ATOM 693 CA VAL A 46 -5.629 0.745 -4.078 1.00 42.32 C ATOM 694 C VAL A 46 -5.272 -0.641 -4.644 1.00 61.44 C ATOM 695 O VAL A 46 -5.119 -1.616 -3.886 1.00 22.00 O ATOM 696 CB VAL A 46 -4.313 1.519 -3.716 1.00 5.41 C ATOM 697 CG1 VAL A 46 -4.590 3.004 -3.375 1.00 5.20 C ATOM 698 CG2 VAL A 46 -3.572 0.808 -2.565 1.00 21.14 C ATOM 0 H VAL A 46 -6.083 -0.028 -2.177 1.00 23.21 H new ATOM 0 HA VAL A 46 -6.163 1.349 -4.812 1.00 42.32 H new ATOM 0 HB VAL A 46 -3.670 1.513 -4.596 1.00 5.41 H new ATOM 0 HG11 VAL A 46 -3.652 3.502 -3.130 1.00 5.20 H new ATOM 0 HG12 VAL A 46 -5.049 3.495 -4.233 1.00 5.20 H new ATOM 0 HG13 VAL A 46 -5.265 3.061 -2.521 1.00 5.20 H new ATOM 0 HG21 VAL A 46 -2.661 1.356 -2.325 1.00 21.14 H new ATOM 0 HG22 VAL A 46 -4.216 0.771 -1.686 1.00 21.14 H new ATOM 0 HG23 VAL A 46 -3.315 -0.207 -2.870 1.00 21.14 H new ATOM 708 N THR A 47 -5.149 -0.734 -5.966 1.00 73.01 N ATOM 709 CA THR A 47 -4.981 -2.013 -6.665 1.00 43.44 C ATOM 710 C THR A 47 -3.726 -2.017 -7.551 1.00 65.32 C ATOM 711 O THR A 47 -3.034 -1.004 -7.641 1.00 75.51 O ATOM 712 CB THR A 47 -6.257 -2.323 -7.484 1.00 32.54 C ATOM 713 OG1 THR A 47 -6.565 -1.232 -8.371 1.00 12.41 O ATOM 714 CG2 THR A 47 -7.459 -2.613 -6.571 1.00 33.43 C ATOM 0 H THR A 47 -5.163 0.075 -6.587 1.00 73.01 H new ATOM 0 HA THR A 47 -4.837 -2.800 -5.924 1.00 43.44 H new ATOM 0 HB THR A 47 -6.058 -3.218 -8.074 1.00 32.54 H new ATOM 0 HG1 THR A 47 -6.081 -0.430 -8.083 1.00 12.41 H new ATOM 0 HG21 THR A 47 -8.336 -2.826 -7.181 1.00 33.43 H new ATOM 0 HG22 THR A 47 -7.238 -3.474 -5.941 1.00 33.43 H new ATOM 0 HG23 THR A 47 -7.657 -1.745 -5.943 1.00 33.43 H new ATOM 722 N ARG A 48 -3.455 -3.183 -8.195 1.00 44.13 N ATOM 723 CA ARG A 48 -2.201 -3.435 -8.957 1.00 34.10 C ATOM 724 C ARG A 48 -1.921 -2.346 -10.016 1.00 73.05 C ATOM 725 O ARG A 48 -0.760 -2.034 -10.301 1.00 4.03 O ATOM 726 CB ARG A 48 -2.232 -4.836 -9.639 1.00 62.33 C ATOM 727 CG ARG A 48 -3.362 -5.006 -10.675 1.00 43.32 C ATOM 728 CD ARG A 48 -3.307 -6.307 -11.497 1.00 52.31 C ATOM 729 NE ARG A 48 -4.489 -6.388 -12.369 1.00 60.02 N ATOM 730 CZ ARG A 48 -4.896 -7.447 -13.084 1.00 75.14 C ATOM 731 NH1 ARG A 48 -4.206 -8.589 -13.096 1.00 61.32 N1+ ATOM 732 NH2 ARG A 48 -6.044 -7.348 -13.749 1.00 4.42 N ATOM 0 H ARG A 48 -4.099 -3.974 -8.201 1.00 44.13 H new ATOM 0 HA ARG A 48 -1.390 -3.406 -8.229 1.00 34.10 H new ATOM 0 HB2 ARG A 48 -1.274 -5.011 -10.129 1.00 62.33 H new ATOM 0 HB3 ARG A 48 -2.341 -5.601 -8.870 1.00 62.33 H new ATOM 0 HG2 ARG A 48 -4.319 -4.964 -10.155 1.00 43.32 H new ATOM 0 HG3 ARG A 48 -3.334 -4.160 -11.361 1.00 43.32 H new ATOM 0 HD2 ARG A 48 -2.397 -6.332 -12.097 1.00 52.31 H new ATOM 0 HD3 ARG A 48 -3.274 -7.169 -10.831 1.00 52.31 H new ATOM 0 HE ARG A 48 -5.062 -5.547 -12.437 1.00 60.02 H new ATOM 0 HH11 ARG A 48 -3.347 -8.671 -12.553 1.00 61.32 H new ATOM 0 HH12 ARG A 48 -4.538 -9.380 -13.649 1.00 61.32 H new ATOM 0 HH21 ARG A 48 -6.586 -6.485 -13.705 1.00 4.42 H new ATOM 0 HH22 ARG A 48 -6.382 -8.135 -14.303 1.00 4.42 H new ATOM 746 N GLU A 49 -2.990 -1.772 -10.604 1.00 22.03 N ATOM 747 CA GLU A 49 -2.864 -0.757 -11.665 1.00 45.22 C ATOM 748 C GLU A 49 -3.468 0.596 -11.250 1.00 23.22 C ATOM 749 O GLU A 49 -3.843 1.398 -12.103 1.00 41.24 O ATOM 750 CB GLU A 49 -3.461 -1.292 -12.994 1.00 62.41 C ATOM 751 CG GLU A 49 -2.734 -2.540 -13.543 1.00 31.43 C ATOM 752 CD GLU A 49 -3.230 -2.968 -14.922 1.00 0.21 C ATOM 753 OE1 GLU A 49 -2.774 -2.380 -15.930 1.00 1.05 O ATOM 754 OE2 GLU A 49 -4.088 -3.878 -15.007 1.00 70.13 O1- ATOM 0 H GLU A 49 -3.954 -1.997 -10.359 1.00 22.03 H new ATOM 0 HA GLU A 49 -1.803 -0.567 -11.829 1.00 45.22 H new ATOM 0 HB2 GLU A 49 -4.512 -1.534 -12.838 1.00 62.41 H new ATOM 0 HB3 GLU A 49 -3.423 -0.501 -13.743 1.00 62.41 H new ATOM 0 HG2 GLU A 49 -1.665 -2.335 -13.596 1.00 31.43 H new ATOM 0 HG3 GLU A 49 -2.866 -3.366 -12.844 1.00 31.43 H new ATOM 761 N THR A 50 -3.517 0.854 -9.939 1.00 30.42 N ATOM 762 CA THR A 50 -3.749 2.204 -9.414 1.00 25.33 C ATOM 763 C THR A 50 -2.416 2.979 -9.452 1.00 63.25 C ATOM 764 O THR A 50 -1.363 2.416 -9.128 1.00 33.52 O ATOM 765 CB THR A 50 -4.298 2.155 -7.949 1.00 55.31 C ATOM 766 OG1 THR A 50 -5.554 1.451 -7.924 1.00 31.21 O ATOM 767 CG2 THR A 50 -4.491 3.558 -7.333 1.00 50.50 C ATOM 0 H THR A 50 -3.398 0.142 -9.219 1.00 30.42 H new ATOM 0 HA THR A 50 -4.497 2.704 -10.030 1.00 25.33 H new ATOM 0 HB THR A 50 -3.552 1.634 -7.349 1.00 55.31 H new ATOM 0 HG1 THR A 50 -6.111 1.801 -7.197 1.00 31.21 H new ATOM 0 HG21 THR A 50 -4.873 3.460 -6.317 1.00 50.50 H new ATOM 0 HG22 THR A 50 -3.535 4.081 -7.312 1.00 50.50 H new ATOM 0 HG23 THR A 50 -5.201 4.125 -7.935 1.00 50.50 H new ATOM 775 N ASP A 51 -2.472 4.243 -9.896 1.00 54.25 N ATOM 776 CA ASP A 51 -1.339 5.179 -9.839 1.00 54.15 C ATOM 777 C ASP A 51 -1.473 6.059 -8.596 1.00 2.24 C ATOM 778 O ASP A 51 -2.568 6.532 -8.270 1.00 73.44 O ATOM 779 CB ASP A 51 -1.272 6.054 -11.124 1.00 63.35 C ATOM 780 CG ASP A 51 -0.259 7.238 -11.070 1.00 21.41 C ATOM 781 OD1 ASP A 51 0.837 7.114 -10.474 1.00 73.24 O ATOM 782 OD2 ASP A 51 -0.558 8.301 -11.637 1.00 14.11 O1- ATOM 0 H ASP A 51 -3.312 4.648 -10.308 1.00 54.25 H new ATOM 0 HA ASP A 51 -0.412 4.609 -9.780 1.00 54.15 H new ATOM 0 HB2 ASP A 51 -1.013 5.414 -11.967 1.00 63.35 H new ATOM 0 HB3 ASP A 51 -2.266 6.456 -11.323 1.00 63.35 H new ATOM 787 N PHE A 52 -0.323 6.285 -7.947 1.00 15.33 N ATOM 788 CA PHE A 52 -0.187 7.105 -6.737 1.00 23.21 C ATOM 789 C PHE A 52 -0.597 8.562 -7.020 1.00 74.55 C ATOM 790 O PHE A 52 -1.364 9.168 -6.261 1.00 35.40 O ATOM 791 CB PHE A 52 1.296 7.032 -6.268 1.00 13.50 C ATOM 792 CG PHE A 52 1.586 7.743 -4.955 1.00 55.14 C ATOM 793 CD1 PHE A 52 1.362 7.100 -3.740 1.00 1.13 C ATOM 794 CD2 PHE A 52 2.076 9.052 -4.929 1.00 14.22 C ATOM 795 CE1 PHE A 52 1.618 7.736 -2.545 1.00 74.22 C ATOM 796 CE2 PHE A 52 2.330 9.684 -3.730 1.00 12.12 C ATOM 797 CZ PHE A 52 2.100 9.025 -2.541 1.00 55.42 C ATOM 0 H PHE A 52 0.564 5.890 -8.259 1.00 15.33 H new ATOM 0 HA PHE A 52 -0.845 6.727 -5.954 1.00 23.21 H new ATOM 0 HB2 PHE A 52 1.579 5.984 -6.168 1.00 13.50 H new ATOM 0 HB3 PHE A 52 1.929 7.461 -7.045 1.00 13.50 H new ATOM 0 HD1 PHE A 52 0.982 6.089 -3.735 1.00 1.13 H new ATOM 0 HD2 PHE A 52 2.257 9.573 -5.857 1.00 14.22 H new ATOM 0 HE1 PHE A 52 1.440 7.223 -1.611 1.00 74.22 H new ATOM 0 HE2 PHE A 52 2.709 10.695 -3.722 1.00 12.12 H new ATOM 0 HZ PHE A 52 2.299 9.522 -1.603 1.00 55.42 H new ATOM 807 N PHE A 53 -0.093 9.093 -8.144 1.00 45.50 N ATOM 808 CA PHE A 53 -0.263 10.506 -8.521 1.00 72.24 C ATOM 809 C PHE A 53 -1.669 10.779 -9.090 1.00 45.11 C ATOM 810 O PHE A 53 -2.224 11.866 -8.891 1.00 52.24 O ATOM 811 CB PHE A 53 0.844 10.926 -9.520 1.00 3.44 C ATOM 812 CG PHE A 53 2.265 10.830 -8.933 1.00 60.41 C ATOM 813 CD1 PHE A 53 2.830 11.904 -8.234 1.00 22.42 C ATOM 814 CD2 PHE A 53 3.034 9.672 -9.074 1.00 24.44 C ATOM 815 CE1 PHE A 53 4.108 11.821 -7.699 1.00 54.35 C ATOM 816 CE2 PHE A 53 4.312 9.594 -8.539 1.00 64.41 C ATOM 817 CZ PHE A 53 4.848 10.667 -7.856 1.00 3.13 C ATOM 0 H PHE A 53 0.446 8.553 -8.821 1.00 45.50 H new ATOM 0 HA PHE A 53 -0.165 11.113 -7.621 1.00 72.24 H new ATOM 0 HB2 PHE A 53 0.782 10.295 -10.407 1.00 3.44 H new ATOM 0 HB3 PHE A 53 0.661 11.950 -9.844 1.00 3.44 H new ATOM 0 HD1 PHE A 53 2.261 12.813 -8.109 1.00 22.42 H new ATOM 0 HD2 PHE A 53 2.628 8.825 -9.607 1.00 24.44 H new ATOM 0 HE1 PHE A 53 4.523 12.660 -7.160 1.00 54.35 H new ATOM 0 HE2 PHE A 53 4.890 8.689 -8.658 1.00 64.41 H new ATOM 0 HZ PHE A 53 5.845 10.603 -7.445 1.00 3.13 H new ATOM 827 N GLN A 54 -2.246 9.774 -9.765 1.00 1.01 N ATOM 828 CA GLN A 54 -3.617 9.856 -10.307 1.00 74.21 C ATOM 829 C GLN A 54 -4.640 9.801 -9.160 1.00 71.10 C ATOM 830 O GLN A 54 -5.697 10.440 -9.225 1.00 22.35 O ATOM 831 CB GLN A 54 -3.880 8.715 -11.327 1.00 70.42 C ATOM 832 CG GLN A 54 -5.249 8.771 -12.041 1.00 2.40 C ATOM 833 CD GLN A 54 -5.450 10.038 -12.877 1.00 13.42 C ATOM 834 OE1 GLN A 54 -5.103 10.079 -14.058 1.00 42.14 O ATOM 835 NE2 GLN A 54 -6.020 11.071 -12.275 1.00 41.44 N ATOM 0 H GLN A 54 -1.782 8.885 -9.952 1.00 1.01 H new ATOM 0 HA GLN A 54 -3.725 10.806 -10.831 1.00 74.21 H new ATOM 0 HB2 GLN A 54 -3.094 8.736 -12.082 1.00 70.42 H new ATOM 0 HB3 GLN A 54 -3.798 7.760 -10.808 1.00 70.42 H new ATOM 0 HG2 GLN A 54 -5.349 7.899 -12.687 1.00 2.40 H new ATOM 0 HG3 GLN A 54 -6.042 8.707 -11.295 1.00 2.40 H new ATOM 0 HE21 GLN A 54 -6.295 11.002 -11.295 1.00 41.44 H new ATOM 0 HE22 GLN A 54 -6.184 11.935 -12.791 1.00 41.44 H new ATOM 844 N GLN A 55 -4.293 9.046 -8.102 1.00 65.50 N ATOM 845 CA GLN A 55 -5.108 8.925 -6.877 1.00 4.31 C ATOM 846 C GLN A 55 -5.097 10.258 -6.083 1.00 22.01 C ATOM 847 O GLN A 55 -5.974 10.504 -5.250 1.00 34.43 O ATOM 848 CB GLN A 55 -4.575 7.748 -6.009 1.00 23.10 C ATOM 849 CG GLN A 55 -5.515 7.287 -4.873 1.00 62.41 C ATOM 850 CD GLN A 55 -6.819 6.637 -5.357 1.00 45.42 C ATOM 851 OE1 GLN A 55 -6.863 5.988 -6.401 1.00 53.43 O ATOM 852 NE2 GLN A 55 -7.893 6.817 -4.607 1.00 21.41 N ATOM 0 H GLN A 55 -3.433 8.498 -8.072 1.00 65.50 H new ATOM 0 HA GLN A 55 -6.141 8.713 -7.152 1.00 4.31 H new ATOM 0 HB2 GLN A 55 -4.377 6.898 -6.662 1.00 23.10 H new ATOM 0 HB3 GLN A 55 -3.621 8.044 -5.572 1.00 23.10 H new ATOM 0 HG2 GLN A 55 -4.981 6.577 -4.241 1.00 62.41 H new ATOM 0 HG3 GLN A 55 -5.761 8.146 -4.249 1.00 62.41 H new ATOM 0 HE21 GLN A 55 -7.828 7.360 -3.746 1.00 21.41 H new ATOM 0 HE22 GLN A 55 -8.786 6.413 -4.890 1.00 21.41 H new ATOM 861 N GLY A 56 -4.098 11.124 -6.372 1.00 32.24 N ATOM 862 CA GLY A 56 -4.025 12.473 -5.790 1.00 41.52 C ATOM 863 C GLY A 56 -2.740 12.742 -5.016 1.00 33.41 C ATOM 864 O GLY A 56 -2.522 13.871 -4.560 1.00 14.03 O ATOM 0 H GLY A 56 -3.331 10.906 -7.008 1.00 32.24 H new ATOM 0 HA2 GLY A 56 -4.117 13.208 -6.589 1.00 41.52 H new ATOM 0 HA3 GLY A 56 -4.876 12.618 -5.124 1.00 41.52 H new ATOM 868 N GLY A 57 -1.894 11.707 -4.850 1.00 3.33 N ATOM 869 CA GLY A 57 -0.620 11.833 -4.124 1.00 61.32 C ATOM 870 C GLY A 57 0.414 12.645 -4.893 1.00 54.21 C ATOM 871 O GLY A 57 0.567 12.453 -6.092 1.00 41.51 O ATOM 0 H GLY A 57 -2.074 10.770 -5.212 1.00 3.33 H new ATOM 0 HA2 GLY A 57 -0.802 12.304 -3.158 1.00 61.32 H new ATOM 0 HA3 GLY A 57 -0.220 10.839 -3.924 1.00 61.32 H new ATOM 875 N ASP A 58 1.131 13.546 -4.200 1.00 1.54 N ATOM 876 CA ASP A 58 2.130 14.448 -4.821 1.00 52.00 C ATOM 877 C ASP A 58 3.535 13.879 -4.593 1.00 42.45 C ATOM 878 O ASP A 58 3.683 12.812 -3.989 1.00 2.52 O ATOM 879 CB ASP A 58 1.998 15.883 -4.231 1.00 33.24 C ATOM 880 CG ASP A 58 0.701 16.594 -4.665 1.00 13.43 C ATOM 881 OD1 ASP A 58 -0.379 16.225 -4.169 1.00 33.43 O ATOM 882 OD2 ASP A 58 0.756 17.525 -5.505 1.00 24.25 O1- ATOM 0 H ASP A 58 1.038 13.674 -3.192 1.00 1.54 H new ATOM 0 HA ASP A 58 1.951 14.514 -5.894 1.00 52.00 H new ATOM 0 HB2 ASP A 58 2.029 15.827 -3.143 1.00 33.24 H new ATOM 0 HB3 ASP A 58 2.855 16.479 -4.544 1.00 33.24 H new ATOM 887 N SER A 59 4.551 14.615 -5.070 1.00 60.21 N ATOM 888 CA SER A 59 5.968 14.198 -5.027 1.00 54.11 C ATOM 889 C SER A 59 6.519 14.152 -3.588 1.00 51.42 C ATOM 890 O SER A 59 7.356 13.298 -3.270 1.00 32.40 O ATOM 891 CB SER A 59 6.813 15.143 -5.914 1.00 62.22 C ATOM 892 OG SER A 59 6.671 16.502 -5.518 1.00 1.02 O ATOM 0 H SER A 59 4.413 15.528 -5.503 1.00 60.21 H new ATOM 0 HA SER A 59 6.033 13.182 -5.417 1.00 54.11 H new ATOM 0 HB2 SER A 59 7.863 14.855 -5.856 1.00 62.22 H new ATOM 0 HB3 SER A 59 6.509 15.034 -6.955 1.00 62.22 H new ATOM 0 HG SER A 59 7.219 17.071 -6.098 1.00 1.02 H new ATOM 898 N LEU A 60 6.050 15.073 -2.728 1.00 4.34 N ATOM 899 CA LEU A 60 6.434 15.111 -1.298 1.00 53.11 C ATOM 900 C LEU A 60 5.890 13.864 -0.579 1.00 0.24 C ATOM 901 O LEU A 60 6.615 13.196 0.175 1.00 11.31 O ATOM 902 CB LEU A 60 5.925 16.442 -0.638 1.00 71.23 C ATOM 903 CG LEU A 60 6.452 16.793 0.813 1.00 73.24 C ATOM 904 CD1 LEU A 60 5.719 16.011 1.940 1.00 73.34 C ATOM 905 CD2 LEU A 60 7.992 16.602 0.907 1.00 2.34 C ATOM 0 H LEU A 60 5.398 15.809 -2.998 1.00 4.34 H new ATOM 0 HA LEU A 60 7.520 15.098 -1.208 1.00 53.11 H new ATOM 0 HB2 LEU A 60 6.190 17.267 -1.299 1.00 71.23 H new ATOM 0 HB3 LEU A 60 4.836 16.402 -0.599 1.00 71.23 H new ATOM 0 HG LEU A 60 6.220 17.846 0.976 1.00 73.24 H new ATOM 0 HD11 LEU A 60 6.129 16.299 2.908 1.00 73.34 H new ATOM 0 HD12 LEU A 60 4.655 16.245 1.912 1.00 73.34 H new ATOM 0 HD13 LEU A 60 5.859 14.940 1.790 1.00 73.34 H new ATOM 0 HD21 LEU A 60 8.329 16.850 1.914 1.00 2.34 H new ATOM 0 HD22 LEU A 60 8.244 15.565 0.685 1.00 2.34 H new ATOM 0 HD23 LEU A 60 8.484 17.257 0.188 1.00 2.34 H new ATOM 917 N LEU A 61 4.607 13.554 -0.849 1.00 23.13 N ATOM 918 CA LEU A 61 3.932 12.367 -0.293 1.00 75.35 C ATOM 919 C LEU A 61 4.605 11.091 -0.857 1.00 3.34 C ATOM 920 O LEU A 61 4.733 10.088 -0.157 1.00 4.34 O ATOM 921 CB LEU A 61 2.386 12.406 -0.607 1.00 22.23 C ATOM 922 CG LEU A 61 1.423 11.856 0.513 1.00 3.41 C ATOM 923 CD1 LEU A 61 -0.051 11.904 0.064 1.00 30.44 C ATOM 924 CD2 LEU A 61 1.802 10.432 0.975 1.00 32.52 C ATOM 0 H LEU A 61 4.012 14.118 -1.456 1.00 23.13 H new ATOM 0 HA LEU A 61 4.033 12.360 0.792 1.00 75.35 H new ATOM 0 HB2 LEU A 61 2.108 13.438 -0.819 1.00 22.23 H new ATOM 0 HB3 LEU A 61 2.209 11.835 -1.518 1.00 22.23 H new ATOM 0 HG LEU A 61 1.545 12.518 1.371 1.00 3.41 H new ATOM 0 HD11 LEU A 61 -0.687 11.517 0.861 1.00 30.44 H new ATOM 0 HD12 LEU A 61 -0.331 12.934 -0.156 1.00 30.44 H new ATOM 0 HD13 LEU A 61 -0.179 11.294 -0.830 1.00 30.44 H new ATOM 0 HD21 LEU A 61 1.106 10.103 1.747 1.00 32.52 H new ATOM 0 HD22 LEU A 61 1.753 9.749 0.127 1.00 32.52 H new ATOM 0 HD23 LEU A 61 2.815 10.438 1.378 1.00 32.52 H new ATOM 936 N ALA A 62 5.068 11.174 -2.117 1.00 33.11 N ATOM 937 CA ALA A 62 5.794 10.087 -2.796 1.00 42.11 C ATOM 938 C ALA A 62 7.124 9.772 -2.092 1.00 72.13 C ATOM 939 O ALA A 62 7.512 8.621 -2.009 1.00 22.43 O ATOM 940 CB ALA A 62 6.036 10.451 -4.268 1.00 71.54 C ATOM 0 H ALA A 62 4.948 12.004 -2.697 1.00 33.11 H new ATOM 0 HA ALA A 62 5.177 9.190 -2.750 1.00 42.11 H new ATOM 0 HB1 ALA A 62 6.573 9.640 -4.760 1.00 71.54 H new ATOM 0 HB2 ALA A 62 5.079 10.607 -4.766 1.00 71.54 H new ATOM 0 HB3 ALA A 62 6.627 11.365 -4.324 1.00 71.54 H new ATOM 946 N THR A 63 7.795 10.823 -1.579 1.00 51.40 N ATOM 947 CA THR A 63 9.071 10.699 -0.844 1.00 42.43 C ATOM 948 C THR A 63 8.854 10.011 0.530 1.00 34.11 C ATOM 949 O THR A 63 9.684 9.212 0.981 1.00 41.22 O ATOM 950 CB THR A 63 9.725 12.115 -0.669 1.00 51.23 C ATOM 951 OG1 THR A 63 9.852 12.744 -1.955 1.00 2.45 O ATOM 952 CG2 THR A 63 11.118 12.052 -0.016 1.00 61.44 C ATOM 0 H THR A 63 7.466 11.785 -1.663 1.00 51.40 H new ATOM 0 HA THR A 63 9.749 10.071 -1.422 1.00 42.43 H new ATOM 0 HB THR A 63 9.072 12.687 -0.010 1.00 51.23 H new ATOM 0 HG1 THR A 63 8.961 12.939 -2.313 1.00 2.45 H new ATOM 0 HG21 THR A 63 11.521 13.060 0.079 1.00 61.44 H new ATOM 0 HG22 THR A 63 11.037 11.599 0.972 1.00 61.44 H new ATOM 0 HG23 THR A 63 11.784 11.452 -0.637 1.00 61.44 H new ATOM 960 N ARG A 64 7.705 10.316 1.171 1.00 32.53 N ATOM 961 CA ARG A 64 7.300 9.683 2.448 1.00 54.11 C ATOM 962 C ARG A 64 6.878 8.213 2.233 1.00 75.34 C ATOM 963 O ARG A 64 7.147 7.356 3.078 1.00 4.55 O ATOM 964 CB ARG A 64 6.142 10.478 3.121 1.00 3.03 C ATOM 965 CG ARG A 64 6.526 11.887 3.645 1.00 44.35 C ATOM 966 CD ARG A 64 5.385 12.554 4.446 1.00 12.02 C ATOM 967 NE ARG A 64 5.810 13.832 5.066 1.00 13.42 N ATOM 968 CZ ARG A 64 5.313 14.355 6.215 1.00 34.45 C ATOM 969 NH1 ARG A 64 4.362 13.720 6.901 1.00 52.03 N1+ ATOM 970 NH2 ARG A 64 5.788 15.512 6.673 1.00 4.03 N ATOM 0 H ARG A 64 7.036 11.002 0.822 1.00 32.53 H new ATOM 0 HA ARG A 64 8.165 9.700 3.110 1.00 54.11 H new ATOM 0 HB2 ARG A 64 5.330 10.584 2.402 1.00 3.03 H new ATOM 0 HB3 ARG A 64 5.756 9.891 3.954 1.00 3.03 H new ATOM 0 HG2 ARG A 64 7.410 11.807 4.277 1.00 44.35 H new ATOM 0 HG3 ARG A 64 6.794 12.524 2.802 1.00 44.35 H new ATOM 0 HD2 ARG A 64 4.538 12.737 3.785 1.00 12.02 H new ATOM 0 HD3 ARG A 64 5.042 11.871 5.223 1.00 12.02 H new ATOM 0 HE ARG A 64 6.538 14.363 4.588 1.00 13.42 H new ATOM 0 HH11 ARG A 64 3.999 12.829 6.563 1.00 52.03 H new ATOM 0 HH12 ARG A 64 3.998 14.126 7.763 1.00 52.03 H new ATOM 0 HH21 ARG A 64 6.522 16.001 6.160 1.00 4.03 H new ATOM 0 HH22 ARG A 64 5.418 15.909 7.536 1.00 4.03 H new ATOM 984 N LEU A 65 6.225 7.951 1.086 1.00 23.21 N ATOM 985 CA LEU A 65 5.713 6.616 0.710 1.00 72.34 C ATOM 986 C LEU A 65 6.887 5.663 0.447 1.00 54.43 C ATOM 987 O LEU A 65 6.921 4.533 0.946 1.00 25.32 O ATOM 988 CB LEU A 65 4.795 6.752 -0.550 1.00 22.14 C ATOM 989 CG LEU A 65 3.933 5.501 -0.970 1.00 24.14 C ATOM 990 CD1 LEU A 65 4.759 4.381 -1.668 1.00 70.21 C ATOM 991 CD2 LEU A 65 3.134 4.948 0.241 1.00 24.43 C ATOM 0 H LEU A 65 6.035 8.667 0.385 1.00 23.21 H new ATOM 0 HA LEU A 65 5.121 6.200 1.525 1.00 72.34 H new ATOM 0 HB2 LEU A 65 4.114 7.586 -0.380 1.00 22.14 H new ATOM 0 HB3 LEU A 65 5.426 7.023 -1.396 1.00 22.14 H new ATOM 0 HG LEU A 65 3.226 5.855 -1.721 1.00 24.14 H new ATOM 0 HD11 LEU A 65 4.101 3.552 -1.929 1.00 70.21 H new ATOM 0 HD12 LEU A 65 5.218 4.778 -2.573 1.00 70.21 H new ATOM 0 HD13 LEU A 65 5.537 4.027 -0.991 1.00 70.21 H new ATOM 0 HD21 LEU A 65 2.547 4.085 -0.074 1.00 24.43 H new ATOM 0 HD22 LEU A 65 3.827 4.648 1.028 1.00 24.43 H new ATOM 0 HD23 LEU A 65 2.467 5.722 0.621 1.00 24.43 H new ATOM 1003 N THR A 66 7.831 6.138 -0.367 1.00 13.30 N ATOM 1004 CA THR A 66 9.042 5.394 -0.719 1.00 12.21 C ATOM 1005 C THR A 66 9.965 5.242 0.512 1.00 63.33 C ATOM 1006 O THR A 66 10.705 4.255 0.639 1.00 13.30 O ATOM 1007 CB THR A 66 9.777 6.103 -1.891 1.00 64.34 C ATOM 1008 OG1 THR A 66 10.082 7.467 -1.551 1.00 64.20 O ATOM 1009 CG2 THR A 66 8.941 6.061 -3.185 1.00 73.01 C ATOM 0 H THR A 66 7.776 7.058 -0.804 1.00 13.30 H new ATOM 0 HA THR A 66 8.761 4.393 -1.046 1.00 12.21 H new ATOM 0 HB THR A 66 10.708 5.564 -2.066 1.00 64.34 H new ATOM 0 HG1 THR A 66 9.283 8.021 -1.674 1.00 64.20 H new ATOM 0 HG21 THR A 66 9.483 6.565 -3.985 1.00 73.01 H new ATOM 0 HG22 THR A 66 8.759 5.024 -3.467 1.00 73.01 H new ATOM 0 HG23 THR A 66 7.988 6.564 -3.019 1.00 73.01 H new ATOM 1017 N GLY A 67 9.871 6.233 1.421 1.00 33.30 N ATOM 1018 CA GLY A 67 10.533 6.191 2.724 1.00 10.21 C ATOM 1019 C GLY A 67 9.971 5.118 3.653 1.00 3.13 C ATOM 1020 O GLY A 67 10.714 4.562 4.458 1.00 60.41 O ATOM 0 H GLY A 67 9.331 7.084 1.264 1.00 33.30 H new ATOM 0 HA2 GLY A 67 11.598 6.013 2.577 1.00 10.21 H new ATOM 0 HA3 GLY A 67 10.436 7.165 3.204 1.00 10.21 H new ATOM 1024 N GLN A 68 8.658 4.818 3.530 1.00 64.34 N ATOM 1025 CA GLN A 68 8.013 3.697 4.259 1.00 53.45 C ATOM 1026 C GLN A 68 8.677 2.366 3.880 1.00 62.14 C ATOM 1027 O GLN A 68 9.006 1.546 4.745 1.00 45.22 O ATOM 1028 CB GLN A 68 6.491 3.626 3.961 1.00 60.11 C ATOM 1029 CG GLN A 68 5.676 4.841 4.442 1.00 51.01 C ATOM 1030 CD GLN A 68 5.689 5.030 5.964 1.00 4.24 C ATOM 1031 OE1 GLN A 68 5.768 4.067 6.727 1.00 22.22 O ATOM 1032 NE2 GLN A 68 5.602 6.266 6.419 1.00 65.31 N ATOM 0 H GLN A 68 8.019 5.339 2.929 1.00 64.34 H new ATOM 0 HA GLN A 68 8.143 3.878 5.326 1.00 53.45 H new ATOM 0 HB2 GLN A 68 6.351 3.517 2.886 1.00 60.11 H new ATOM 0 HB3 GLN A 68 6.086 2.728 4.428 1.00 60.11 H new ATOM 0 HG2 GLN A 68 6.070 5.741 3.970 1.00 51.01 H new ATOM 0 HG3 GLN A 68 4.644 4.731 4.107 1.00 51.01 H new ATOM 0 HE21 GLN A 68 5.538 7.047 5.766 1.00 65.31 H new ATOM 0 HE22 GLN A 68 5.599 6.440 7.424 1.00 65.31 H new ATOM 1041 N LEU A 69 8.903 2.194 2.569 1.00 1.33 N ATOM 1042 CA LEU A 69 9.580 1.013 2.014 1.00 1.03 C ATOM 1043 C LEU A 69 11.039 0.933 2.486 1.00 4.23 C ATOM 1044 O LEU A 69 11.536 -0.162 2.721 1.00 74.44 O ATOM 1045 CB LEU A 69 9.467 1.014 0.468 1.00 24.03 C ATOM 1046 CG LEU A 69 8.036 0.696 -0.071 1.00 51.33 C ATOM 1047 CD1 LEU A 69 7.891 1.064 -1.551 1.00 34.13 C ATOM 1048 CD2 LEU A 69 7.677 -0.793 0.174 1.00 45.31 C ATOM 0 H LEU A 69 8.620 2.873 1.862 1.00 1.33 H new ATOM 0 HA LEU A 69 9.083 0.117 2.386 1.00 1.03 H new ATOM 0 HB2 LEU A 69 9.775 1.990 0.093 1.00 24.03 H new ATOM 0 HB3 LEU A 69 10.166 0.282 0.064 1.00 24.03 H new ATOM 0 HG LEU A 69 7.330 1.314 0.483 1.00 51.33 H new ATOM 0 HD11 LEU A 69 6.882 0.827 -1.888 1.00 34.13 H new ATOM 0 HD12 LEU A 69 8.076 2.130 -1.681 1.00 34.13 H new ATOM 0 HD13 LEU A 69 8.612 0.496 -2.139 1.00 34.13 H new ATOM 0 HD21 LEU A 69 6.676 -0.994 -0.209 1.00 45.31 H new ATOM 0 HD22 LEU A 69 8.397 -1.430 -0.340 1.00 45.31 H new ATOM 0 HD23 LEU A 69 7.705 -1.003 1.243 1.00 45.31 H new ATOM 1060 N HIS A 70 11.704 2.097 2.657 1.00 74.05 N ATOM 1061 CA HIS A 70 13.085 2.163 3.220 1.00 35.14 C ATOM 1062 C HIS A 70 13.137 1.580 4.646 1.00 54.13 C ATOM 1063 O HIS A 70 14.084 0.872 5.008 1.00 71.21 O ATOM 1064 CB HIS A 70 13.628 3.620 3.235 1.00 55.13 C ATOM 1065 CG HIS A 70 13.914 4.199 1.881 1.00 1.41 C ATOM 1066 ND1 HIS A 70 14.165 5.536 1.688 1.00 15.33 N ATOM 1067 CD2 HIS A 70 14.046 3.618 0.670 1.00 4.13 C ATOM 1068 CE1 HIS A 70 14.429 5.757 0.421 1.00 34.32 C ATOM 1069 NE2 HIS A 70 14.367 4.611 -0.221 1.00 61.42 N ATOM 0 H HIS A 70 11.313 3.007 2.415 1.00 74.05 H new ATOM 0 HA HIS A 70 13.719 1.562 2.568 1.00 35.14 H new ATOM 0 HB2 HIS A 70 12.903 4.258 3.742 1.00 55.13 H new ATOM 0 HB3 HIS A 70 14.543 3.646 3.826 1.00 55.13 H new ATOM 0 HD2 HIS A 70 13.922 2.569 0.445 1.00 4.13 H new ATOM 0 HE1 HIS A 70 14.658 6.716 -0.019 1.00 34.32 H new ATOM 0 HE2 HIS A 70 14.531 4.481 -1.219 1.00 61.42 H new ATOM 1078 N GLN A 71 12.085 1.870 5.425 1.00 51.42 N ATOM 1079 CA GLN A 71 11.922 1.350 6.794 1.00 45.22 C ATOM 1080 C GLN A 71 11.612 -0.162 6.770 1.00 10.23 C ATOM 1081 O GLN A 71 11.943 -0.880 7.708 1.00 1.43 O ATOM 1082 CB GLN A 71 10.800 2.135 7.519 1.00 34.14 C ATOM 1083 CG GLN A 71 11.021 3.661 7.536 1.00 42.30 C ATOM 1084 CD GLN A 71 9.929 4.419 8.298 1.00 63.32 C ATOM 1085 OE1 GLN A 71 8.890 4.843 7.592 1.00 55.01 O flip ATOM 1086 NE2 GLN A 71 10.017 4.620 9.511 1.00 73.24 N flip ATOM 0 H GLN A 71 11.320 2.474 5.124 1.00 51.42 H new ATOM 0 HA GLN A 71 12.855 1.487 7.340 1.00 45.22 H new ATOM 0 HB2 GLN A 71 9.847 1.920 7.034 1.00 34.14 H new ATOM 0 HB3 GLN A 71 10.723 1.777 8.546 1.00 34.14 H new ATOM 0 HG2 GLN A 71 11.988 3.877 7.990 1.00 42.30 H new ATOM 0 HG3 GLN A 71 11.061 4.028 6.510 1.00 42.30 H new ATOM 0 HE21 GLN A 71 10.829 4.281 10.027 1.00 73.24 H new ATOM 0 HE22 GLN A 71 9.278 5.125 9.999 1.00 73.24 H new ATOM 1095 N ALA A 72 10.977 -0.618 5.673 1.00 23.20 N ATOM 1096 CA ALA A 72 10.665 -2.045 5.436 1.00 10.14 C ATOM 1097 C ALA A 72 11.909 -2.837 4.961 1.00 11.15 C ATOM 1098 O ALA A 72 11.936 -4.072 5.045 1.00 32.53 O ATOM 1099 CB ALA A 72 9.540 -2.165 4.396 1.00 20.04 C ATOM 0 H ALA A 72 10.663 -0.005 4.921 1.00 23.20 H new ATOM 0 HA ALA A 72 10.341 -2.476 6.383 1.00 10.14 H new ATOM 0 HB1 ALA A 72 9.314 -3.217 4.225 1.00 20.04 H new ATOM 0 HB2 ALA A 72 8.648 -1.657 4.764 1.00 20.04 H new ATOM 0 HB3 ALA A 72 9.859 -1.705 3.460 1.00 20.04 H new ATOM 1105 N GLY A 73 12.920 -2.112 4.443 1.00 2.24 N ATOM 1106 CA GLY A 73 14.160 -2.728 3.939 1.00 61.24 C ATOM 1107 C GLY A 73 14.124 -2.976 2.432 1.00 11.31 C ATOM 1108 O GLY A 73 14.760 -3.905 1.936 1.00 43.42 O ATOM 0 H GLY A 73 12.900 -1.095 4.363 1.00 2.24 H new ATOM 0 HA2 GLY A 73 15.005 -2.082 4.177 1.00 61.24 H new ATOM 0 HA3 GLY A 73 14.327 -3.674 4.455 1.00 61.24 H new ATOM 1112 N TYR A 74 13.316 -2.180 1.719 1.00 21.33 N ATOM 1113 CA TYR A 74 13.245 -2.158 0.245 1.00 62.10 C ATOM 1114 C TYR A 74 13.572 -0.738 -0.237 1.00 51.04 C ATOM 1115 O TYR A 74 12.966 0.232 0.237 1.00 43.51 O ATOM 1116 CB TYR A 74 11.823 -2.580 -0.225 1.00 12.33 C ATOM 1117 CG TYR A 74 11.444 -4.010 0.193 1.00 53.31 C ATOM 1118 CD1 TYR A 74 10.849 -4.273 1.435 1.00 12.54 C ATOM 1119 CD2 TYR A 74 11.721 -5.100 -0.634 1.00 53.10 C ATOM 1120 CE1 TYR A 74 10.545 -5.567 1.826 1.00 52.55 C ATOM 1121 CE2 TYR A 74 11.408 -6.390 -0.246 1.00 32.41 C ATOM 1122 CZ TYR A 74 10.830 -6.620 0.981 1.00 71.23 C ATOM 1123 OH TYR A 74 10.550 -7.917 1.376 1.00 34.40 O ATOM 0 H TYR A 74 12.677 -1.517 2.158 1.00 21.33 H new ATOM 0 HA TYR A 74 13.963 -2.861 -0.176 1.00 62.10 H new ATOM 0 HB2 TYR A 74 11.091 -1.883 0.184 1.00 12.33 H new ATOM 0 HB3 TYR A 74 11.768 -2.500 -1.311 1.00 12.33 H new ATOM 0 HD1 TYR A 74 10.623 -3.452 2.099 1.00 12.54 H new ATOM 0 HD2 TYR A 74 12.188 -4.933 -1.593 1.00 53.10 H new ATOM 0 HE1 TYR A 74 10.087 -5.750 2.787 1.00 52.55 H new ATOM 0 HE2 TYR A 74 11.618 -7.218 -0.907 1.00 32.41 H new ATOM 0 HH TYR A 74 10.810 -8.539 0.665 1.00 34.40 H new ATOM 1133 N GLU A 75 14.533 -0.601 -1.164 1.00 30.25 N ATOM 1134 CA GLU A 75 14.884 0.706 -1.728 1.00 41.40 C ATOM 1135 C GLU A 75 13.826 1.139 -2.763 1.00 12.03 C ATOM 1136 O GLU A 75 13.396 0.345 -3.622 1.00 11.22 O ATOM 1137 CB GLU A 75 16.308 0.707 -2.342 1.00 4.53 C ATOM 1138 CG GLU A 75 16.539 -0.306 -3.479 1.00 64.50 C ATOM 1139 CD GLU A 75 17.943 -0.227 -4.091 1.00 52.24 C ATOM 1140 OE1 GLU A 75 18.879 -0.850 -3.549 1.00 24.20 O ATOM 1141 OE2 GLU A 75 18.115 0.467 -5.119 1.00 40.51 O1- ATOM 0 H GLU A 75 15.078 -1.379 -1.536 1.00 30.25 H new ATOM 0 HA GLU A 75 14.893 1.432 -0.915 1.00 41.40 H new ATOM 0 HB2 GLU A 75 16.521 1.707 -2.720 1.00 4.53 H new ATOM 0 HB3 GLU A 75 17.028 0.506 -1.548 1.00 4.53 H new ATOM 0 HG2 GLU A 75 16.374 -1.313 -3.097 1.00 64.50 H new ATOM 0 HG3 GLU A 75 15.800 -0.137 -4.262 1.00 64.50 H new ATOM 1148 N ALA A 76 13.410 2.397 -2.632 1.00 70.33 N ATOM 1149 CA ALA A 76 12.377 3.016 -3.457 1.00 75.30 C ATOM 1150 C ALA A 76 12.608 4.525 -3.445 1.00 43.33 C ATOM 1151 O ALA A 76 12.717 5.120 -2.375 1.00 71.03 O ATOM 1152 CB ALA A 76 10.984 2.671 -2.905 1.00 20.55 C ATOM 0 H ALA A 76 13.793 3.030 -1.930 1.00 70.33 H new ATOM 0 HA ALA A 76 12.429 2.643 -4.480 1.00 75.30 H new ATOM 0 HB1 ALA A 76 10.220 3.137 -3.527 1.00 20.55 H new ATOM 0 HB2 ALA A 76 10.847 1.590 -2.912 1.00 20.55 H new ATOM 0 HB3 ALA A 76 10.896 3.041 -1.884 1.00 20.55 H new ATOM 1158 N GLN A 77 12.716 5.122 -4.625 1.00 34.23 N ATOM 1159 CA GLN A 77 12.898 6.577 -4.796 1.00 51.31 C ATOM 1160 C GLN A 77 11.660 7.168 -5.480 1.00 12.24 C ATOM 1161 O GLN A 77 10.827 6.435 -6.027 1.00 53.11 O ATOM 1162 CB GLN A 77 14.182 6.888 -5.628 1.00 13.23 C ATOM 1163 CG GLN A 77 15.493 6.306 -5.060 1.00 44.22 C ATOM 1164 CD GLN A 77 15.747 6.649 -3.583 1.00 14.22 C ATOM 1165 OE1 GLN A 77 15.392 5.892 -2.680 1.00 54.35 O ATOM 1166 NE2 GLN A 77 16.353 7.794 -3.320 1.00 65.53 N ATOM 0 H GLN A 77 12.681 4.612 -5.508 1.00 34.23 H new ATOM 0 HA GLN A 77 13.021 7.033 -3.814 1.00 51.31 H new ATOM 0 HB2 GLN A 77 14.042 6.505 -6.639 1.00 13.23 H new ATOM 0 HB3 GLN A 77 14.289 7.970 -5.709 1.00 13.23 H new ATOM 0 HG2 GLN A 77 15.474 5.222 -5.172 1.00 44.22 H new ATOM 0 HG3 GLN A 77 16.329 6.674 -5.656 1.00 44.22 H new ATOM 0 HE21 GLN A 77 16.639 8.407 -4.084 1.00 65.53 H new ATOM 0 HE22 GLN A 77 16.535 8.065 -2.353 1.00 65.53 H new ATOM 1175 N LEU A 78 11.542 8.502 -5.393 1.00 44.24 N ATOM 1176 CA LEU A 78 10.485 9.288 -6.069 1.00 21.22 C ATOM 1177 C LEU A 78 10.454 8.956 -7.583 1.00 43.43 C ATOM 1178 O LEU A 78 9.375 8.826 -8.179 1.00 41.43 O ATOM 1179 CB LEU A 78 10.755 10.807 -5.808 1.00 14.23 C ATOM 1180 CG LEU A 78 9.553 11.815 -5.931 1.00 15.05 C ATOM 1181 CD1 LEU A 78 9.973 13.188 -5.362 1.00 34.43 C ATOM 1182 CD2 LEU A 78 9.027 11.980 -7.380 1.00 45.24 C ATOM 0 H LEU A 78 12.183 9.077 -4.846 1.00 44.24 H new ATOM 0 HA LEU A 78 9.504 9.032 -5.669 1.00 21.22 H new ATOM 0 HB2 LEU A 78 11.166 10.903 -4.803 1.00 14.23 H new ATOM 0 HB3 LEU A 78 11.531 11.130 -6.502 1.00 14.23 H new ATOM 0 HG LEU A 78 8.729 11.395 -5.354 1.00 15.05 H new ATOM 0 HD11 LEU A 78 9.141 13.887 -5.447 1.00 34.43 H new ATOM 0 HD12 LEU A 78 10.249 13.078 -4.313 1.00 34.43 H new ATOM 0 HD13 LEU A 78 10.826 13.569 -5.924 1.00 34.43 H new ATOM 0 HD21 LEU A 78 8.199 12.689 -7.388 1.00 45.24 H new ATOM 0 HD22 LEU A 78 9.829 12.351 -8.018 1.00 45.24 H new ATOM 0 HD23 LEU A 78 8.682 11.016 -7.754 1.00 45.24 H new ATOM 1194 N SER A 79 11.660 8.784 -8.165 1.00 25.13 N ATOM 1195 CA SER A 79 11.838 8.414 -9.581 1.00 0.45 C ATOM 1196 C SER A 79 11.204 7.046 -9.921 1.00 13.22 C ATOM 1197 O SER A 79 10.759 6.853 -11.045 1.00 11.33 O ATOM 1198 CB SER A 79 13.336 8.404 -9.939 1.00 20.11 C ATOM 1199 OG SER A 79 13.916 9.680 -9.742 1.00 63.51 O ATOM 0 H SER A 79 12.540 8.899 -7.662 1.00 25.13 H new ATOM 0 HA SER A 79 11.320 9.165 -10.177 1.00 0.45 H new ATOM 0 HB2 SER A 79 13.855 7.667 -9.326 1.00 20.11 H new ATOM 0 HB3 SER A 79 13.463 8.100 -10.978 1.00 20.11 H new ATOM 0 HG SER A 79 14.867 9.646 -9.975 1.00 63.51 H new ATOM 1205 N ASP A 80 11.167 6.110 -8.943 1.00 1.33 N ATOM 1206 CA ASP A 80 10.514 4.786 -9.120 1.00 30.24 C ATOM 1207 C ASP A 80 8.988 4.944 -9.231 1.00 73.44 C ATOM 1208 O ASP A 80 8.357 4.257 -10.020 1.00 53.41 O ATOM 1209 CB ASP A 80 10.858 3.798 -7.961 1.00 53.05 C ATOM 1210 CG ASP A 80 12.327 3.347 -7.951 1.00 53.20 C ATOM 1211 OD1 ASP A 80 13.174 4.073 -7.396 1.00 52.33 O ATOM 1212 OD2 ASP A 80 12.645 2.280 -8.524 1.00 10.01 O1- ATOM 0 H ASP A 80 11.582 6.246 -8.021 1.00 1.33 H new ATOM 0 HA ASP A 80 10.904 4.363 -10.046 1.00 30.24 H new ATOM 0 HB2 ASP A 80 10.627 4.274 -7.008 1.00 53.05 H new ATOM 0 HB3 ASP A 80 10.218 2.920 -8.042 1.00 53.05 H new ATOM 1217 N LEU A 81 8.402 5.847 -8.426 1.00 74.15 N ATOM 1218 CA LEU A 81 6.939 6.122 -8.465 1.00 5.11 C ATOM 1219 C LEU A 81 6.531 6.890 -9.742 1.00 21.15 C ATOM 1220 O LEU A 81 5.433 6.687 -10.280 1.00 13.13 O ATOM 1221 CB LEU A 81 6.466 6.885 -7.174 1.00 54.12 C ATOM 1222 CG LEU A 81 5.884 5.999 -6.024 1.00 51.30 C ATOM 1223 CD1 LEU A 81 5.499 6.859 -4.805 1.00 0.24 C ATOM 1224 CD2 LEU A 81 4.668 5.176 -6.518 1.00 3.20 C ATOM 0 H LEU A 81 8.911 6.403 -7.738 1.00 74.15 H new ATOM 0 HA LEU A 81 6.434 5.157 -8.490 1.00 5.11 H new ATOM 0 HB2 LEU A 81 7.312 7.447 -6.779 1.00 54.12 H new ATOM 0 HB3 LEU A 81 5.707 7.612 -7.464 1.00 54.12 H new ATOM 0 HG LEU A 81 6.663 5.302 -5.715 1.00 51.30 H new ATOM 0 HD11 LEU A 81 5.097 6.218 -4.020 1.00 0.24 H new ATOM 0 HD12 LEU A 81 6.382 7.379 -4.433 1.00 0.24 H new ATOM 0 HD13 LEU A 81 4.745 7.589 -5.099 1.00 0.24 H new ATOM 0 HD21 LEU A 81 4.283 4.569 -5.699 1.00 3.20 H new ATOM 0 HD22 LEU A 81 3.888 5.853 -6.866 1.00 3.20 H new ATOM 0 HD23 LEU A 81 4.977 4.526 -7.337 1.00 3.20 H new ATOM 1236 N PHE A 82 7.420 7.774 -10.214 1.00 24.12 N ATOM 1237 CA PHE A 82 7.143 8.638 -11.375 1.00 60.00 C ATOM 1238 C PHE A 82 7.425 7.890 -12.699 1.00 71.45 C ATOM 1239 O PHE A 82 6.836 8.207 -13.738 1.00 4.01 O ATOM 1240 CB PHE A 82 7.970 9.950 -11.268 1.00 43.43 C ATOM 1241 CG PHE A 82 7.428 11.083 -12.144 1.00 12.01 C ATOM 1242 CD1 PHE A 82 6.283 11.792 -11.759 1.00 13.30 C ATOM 1243 CD2 PHE A 82 8.044 11.433 -13.348 1.00 61.11 C ATOM 1244 CE1 PHE A 82 5.780 12.816 -12.547 1.00 43.04 C ATOM 1245 CE2 PHE A 82 7.539 12.455 -14.131 1.00 71.25 C ATOM 1246 CZ PHE A 82 6.407 13.144 -13.732 1.00 71.24 C ATOM 0 H PHE A 82 8.345 7.912 -9.807 1.00 24.12 H new ATOM 0 HA PHE A 82 6.086 8.903 -11.376 1.00 60.00 H new ATOM 0 HB2 PHE A 82 7.983 10.279 -10.229 1.00 43.43 H new ATOM 0 HB3 PHE A 82 9.002 9.744 -11.551 1.00 43.43 H new ATOM 0 HD1 PHE A 82 5.785 11.537 -10.835 1.00 13.30 H new ATOM 0 HD2 PHE A 82 8.925 10.899 -13.671 1.00 61.11 H new ATOM 0 HE1 PHE A 82 4.899 13.356 -12.234 1.00 43.04 H new ATOM 0 HE2 PHE A 82 8.030 12.716 -15.057 1.00 71.25 H new ATOM 0 HZ PHE A 82 6.014 13.939 -14.348 1.00 71.24 H new ATOM 1256 N ASN A 83 8.336 6.902 -12.657 1.00 71.43 N ATOM 1257 CA ASN A 83 8.628 6.029 -13.822 1.00 50.35 C ATOM 1258 C ASN A 83 7.649 4.839 -13.864 1.00 43.32 C ATOM 1259 O ASN A 83 7.315 4.333 -14.943 1.00 2.43 O ATOM 1260 CB ASN A 83 10.095 5.525 -13.772 1.00 25.24 C ATOM 1261 CG ASN A 83 10.478 4.618 -14.953 1.00 54.41 C ATOM 1262 OD1 ASN A 83 10.349 3.399 -14.881 1.00 3.24 O ATOM 1263 ND2 ASN A 83 10.943 5.194 -16.043 1.00 11.23 N ATOM 0 H ASN A 83 8.888 6.683 -11.828 1.00 71.43 H new ATOM 0 HA ASN A 83 8.497 6.615 -14.732 1.00 50.35 H new ATOM 0 HB2 ASN A 83 10.765 6.385 -13.754 1.00 25.24 H new ATOM 0 HB3 ASN A 83 10.251 4.980 -12.841 1.00 25.24 H new ATOM 0 HD21 ASN A 83 11.204 4.625 -16.849 1.00 11.23 H new ATOM 0 HD22 ASN A 83 11.042 6.208 -16.081 1.00 11.23 H new ATOM 1270 N HIS A 84 7.197 4.398 -12.680 1.00 15.15 N ATOM 1271 CA HIS A 84 6.260 3.270 -12.535 1.00 42.10 C ATOM 1272 C HIS A 84 5.005 3.766 -11.793 1.00 13.12 C ATOM 1273 O HIS A 84 4.967 3.735 -10.553 1.00 54.15 O ATOM 1274 CB HIS A 84 6.914 2.094 -11.774 1.00 72.20 C ATOM 1275 CG HIS A 84 8.245 1.636 -12.306 1.00 43.14 C ATOM 1276 ND1 HIS A 84 8.395 0.559 -13.149 1.00 55.03 N ATOM 1277 CD2 HIS A 84 9.497 2.118 -12.099 1.00 43.43 C ATOM 1278 CE1 HIS A 84 9.673 0.389 -13.420 1.00 31.22 C ATOM 1279 NE2 HIS A 84 10.363 1.320 -12.796 1.00 32.13 N ATOM 0 H HIS A 84 7.472 4.815 -11.791 1.00 15.15 H new ATOM 0 HA HIS A 84 5.985 2.901 -13.523 1.00 42.10 H new ATOM 0 HB2 HIS A 84 7.040 2.385 -10.731 1.00 72.20 H new ATOM 0 HB3 HIS A 84 6.227 1.248 -11.788 1.00 72.20 H new ATOM 0 HD2 HIS A 84 9.761 2.974 -11.495 1.00 43.43 H new ATOM 0 HE1 HIS A 84 10.086 -0.385 -14.049 1.00 31.22 H new ATOM 0 HE2 HIS A 84 11.377 1.429 -12.827 1.00 32.13 H new ATOM 1288 N PRO A 85 3.989 4.302 -12.543 1.00 12.11 N ATOM 1289 CA PRO A 85 2.708 4.759 -11.956 1.00 14.33 C ATOM 1290 C PRO A 85 1.979 3.644 -11.192 1.00 63.32 C ATOM 1291 O PRO A 85 1.584 3.819 -10.036 1.00 54.33 O ATOM 1292 CB PRO A 85 1.881 5.204 -13.193 1.00 72.15 C ATOM 1293 CG PRO A 85 2.897 5.515 -14.244 1.00 11.34 C ATOM 1294 CD PRO A 85 4.018 4.536 -14.012 1.00 63.43 C ATOM 0 HA PRO A 85 2.859 5.550 -11.221 1.00 14.33 H new ATOM 0 HB2 PRO A 85 1.204 4.415 -13.520 1.00 72.15 H new ATOM 0 HB3 PRO A 85 1.268 6.076 -12.965 1.00 72.15 H new ATOM 0 HG2 PRO A 85 2.477 5.403 -15.243 1.00 11.34 H new ATOM 0 HG3 PRO A 85 3.249 6.543 -14.160 1.00 11.34 H new ATOM 0 HD2 PRO A 85 3.862 3.611 -14.567 1.00 63.43 H new ATOM 0 HD3 PRO A 85 4.977 4.943 -14.333 1.00 63.43 H new ATOM 1302 N ARG A 86 1.847 2.492 -11.869 1.00 35.33 N ATOM 1303 CA ARG A 86 1.079 1.343 -11.374 1.00 52.33 C ATOM 1304 C ARG A 86 1.770 0.733 -10.152 1.00 60.22 C ATOM 1305 O ARG A 86 2.993 0.583 -10.142 1.00 45.42 O ATOM 1306 CB ARG A 86 0.895 0.276 -12.494 1.00 5.20 C ATOM 1307 CG ARG A 86 -0.166 0.621 -13.570 1.00 44.40 C ATOM 1308 CD ARG A 86 0.174 1.845 -14.433 1.00 74.33 C ATOM 1309 NE ARG A 86 -0.972 2.287 -15.230 1.00 11.24 N ATOM 1310 CZ ARG A 86 -0.930 3.167 -16.239 1.00 15.32 C ATOM 1311 NH1 ARG A 86 0.216 3.736 -16.615 1.00 11.03 N1+ ATOM 1312 NH2 ARG A 86 -2.047 3.484 -16.857 1.00 51.52 N ATOM 0 H ARG A 86 2.274 2.333 -12.782 1.00 35.33 H new ATOM 0 HA ARG A 86 0.090 1.690 -11.076 1.00 52.33 H new ATOM 0 HB2 ARG A 86 1.854 0.124 -12.989 1.00 5.20 H new ATOM 0 HB3 ARG A 86 0.622 -0.671 -12.029 1.00 5.20 H new ATOM 0 HG2 ARG A 86 -0.297 -0.242 -14.222 1.00 44.40 H new ATOM 0 HG3 ARG A 86 -1.122 0.795 -13.076 1.00 44.40 H new ATOM 0 HD2 ARG A 86 0.506 2.661 -13.791 1.00 74.33 H new ATOM 0 HD3 ARG A 86 1.005 1.603 -15.095 1.00 74.33 H new ATOM 0 HE ARG A 86 -1.882 1.890 -14.996 1.00 11.24 H new ATOM 0 HH11 ARG A 86 1.084 3.504 -16.131 1.00 11.03 H new ATOM 0 HH12 ARG A 86 0.225 4.404 -17.386 1.00 11.03 H new ATOM 0 HH21 ARG A 86 -2.929 3.061 -16.566 1.00 51.52 H new ATOM 0 HH22 ARG A 86 -2.032 4.153 -17.627 1.00 51.52 H new ATOM 1326 N LEU A 87 0.951 0.379 -9.155 1.00 52.23 N ATOM 1327 CA LEU A 87 1.386 -0.172 -7.862 1.00 35.35 C ATOM 1328 C LEU A 87 2.273 -1.413 -8.042 1.00 4.43 C ATOM 1329 O LEU A 87 3.285 -1.555 -7.356 1.00 70.10 O ATOM 1330 CB LEU A 87 0.109 -0.476 -7.024 1.00 71.12 C ATOM 1331 CG LEU A 87 0.278 -0.791 -5.498 1.00 12.14 C ATOM 1332 CD1 LEU A 87 -1.045 -0.534 -4.754 1.00 51.01 C ATOM 1333 CD2 LEU A 87 0.752 -2.238 -5.241 1.00 40.12 C ATOM 0 H LEU A 87 -0.063 0.470 -9.225 1.00 52.23 H new ATOM 0 HA LEU A 87 2.006 0.553 -7.334 1.00 35.35 H new ATOM 0 HB2 LEU A 87 -0.559 0.380 -7.114 1.00 71.12 H new ATOM 0 HB3 LEU A 87 -0.396 -1.325 -7.485 1.00 71.12 H new ATOM 0 HG LEU A 87 1.052 -0.124 -5.118 1.00 12.14 H new ATOM 0 HD11 LEU A 87 -0.916 -0.756 -3.695 1.00 51.01 H new ATOM 0 HD12 LEU A 87 -1.333 0.511 -4.873 1.00 51.01 H new ATOM 0 HD13 LEU A 87 -1.825 -1.174 -5.167 1.00 51.01 H new ATOM 0 HD21 LEU A 87 0.853 -2.403 -4.168 1.00 40.12 H new ATOM 0 HD22 LEU A 87 0.022 -2.938 -5.649 1.00 40.12 H new ATOM 0 HD23 LEU A 87 1.716 -2.396 -5.724 1.00 40.12 H new ATOM 1345 N ALA A 88 1.886 -2.283 -8.981 1.00 11.20 N ATOM 1346 CA ALA A 88 2.575 -3.552 -9.235 1.00 54.51 C ATOM 1347 C ALA A 88 3.883 -3.331 -10.005 1.00 72.31 C ATOM 1348 O ALA A 88 4.874 -3.992 -9.728 1.00 71.01 O ATOM 1349 CB ALA A 88 1.650 -4.500 -9.994 1.00 4.35 C ATOM 0 H ALA A 88 1.082 -2.126 -9.589 1.00 11.20 H new ATOM 0 HA ALA A 88 2.834 -4.003 -8.277 1.00 54.51 H new ATOM 0 HB1 ALA A 88 2.167 -5.441 -10.180 1.00 4.35 H new ATOM 0 HB2 ALA A 88 0.756 -4.688 -9.400 1.00 4.35 H new ATOM 0 HB3 ALA A 88 1.366 -4.048 -10.944 1.00 4.35 H new ATOM 1355 N ASP A 89 3.879 -2.391 -10.964 1.00 21.05 N ATOM 1356 CA ASP A 89 5.104 -2.010 -11.712 1.00 73.42 C ATOM 1357 C ASP A 89 6.122 -1.335 -10.770 1.00 74.44 C ATOM 1358 O ASP A 89 7.343 -1.456 -10.948 1.00 30.21 O ATOM 1359 CB ASP A 89 4.754 -1.067 -12.895 1.00 52.41 C ATOM 1360 CG ASP A 89 3.912 -1.743 -13.997 1.00 34.03 C ATOM 1361 OD1 ASP A 89 2.753 -2.127 -13.720 1.00 34.35 O ATOM 1362 OD2 ASP A 89 4.396 -1.889 -15.146 1.00 52.34 O1- ATOM 0 H ASP A 89 3.044 -1.877 -11.245 1.00 21.05 H new ATOM 0 HA ASP A 89 5.553 -2.917 -12.117 1.00 73.42 H new ATOM 0 HB2 ASP A 89 4.210 -0.204 -12.512 1.00 52.41 H new ATOM 0 HB3 ASP A 89 5.678 -0.691 -13.335 1.00 52.41 H new ATOM 1367 N PHE A 90 5.584 -0.626 -9.766 1.00 40.31 N ATOM 1368 CA PHE A 90 6.370 0.006 -8.704 1.00 64.41 C ATOM 1369 C PHE A 90 6.881 -1.065 -7.724 1.00 55.44 C ATOM 1370 O PHE A 90 8.012 -0.992 -7.261 1.00 71.35 O ATOM 1371 CB PHE A 90 5.518 1.086 -7.987 1.00 13.53 C ATOM 1372 CG PHE A 90 6.204 1.738 -6.792 1.00 70.33 C ATOM 1373 CD1 PHE A 90 7.422 2.407 -6.938 1.00 34.25 C ATOM 1374 CD2 PHE A 90 5.631 1.678 -5.525 1.00 61.20 C ATOM 1375 CE1 PHE A 90 8.041 2.991 -5.849 1.00 71.14 C ATOM 1376 CE2 PHE A 90 6.249 2.263 -4.444 1.00 55.13 C ATOM 1377 CZ PHE A 90 7.453 2.918 -4.604 1.00 2.52 C ATOM 0 H PHE A 90 4.580 -0.476 -9.671 1.00 40.31 H new ATOM 0 HA PHE A 90 7.239 0.503 -9.135 1.00 64.41 H new ATOM 0 HB2 PHE A 90 5.255 1.861 -8.707 1.00 13.53 H new ATOM 0 HB3 PHE A 90 4.585 0.632 -7.652 1.00 13.53 H new ATOM 0 HD1 PHE A 90 7.885 2.468 -7.912 1.00 34.25 H new ATOM 0 HD2 PHE A 90 4.690 1.166 -5.389 1.00 61.20 H new ATOM 0 HE1 PHE A 90 8.983 3.504 -5.973 1.00 71.14 H new ATOM 0 HE2 PHE A 90 5.791 2.209 -3.468 1.00 55.13 H new ATOM 0 HZ PHE A 90 7.936 3.374 -3.752 1.00 2.52 H new ATOM 1387 N ALA A 91 6.053 -2.080 -7.453 1.00 44.42 N ATOM 1388 CA ALA A 91 6.417 -3.203 -6.565 1.00 12.33 C ATOM 1389 C ALA A 91 7.422 -4.155 -7.251 1.00 0.10 C ATOM 1390 O ALA A 91 8.121 -4.923 -6.584 1.00 73.13 O ATOM 1391 CB ALA A 91 5.151 -3.952 -6.134 1.00 43.22 C ATOM 0 H ALA A 91 5.112 -2.151 -7.840 1.00 44.42 H new ATOM 0 HA ALA A 91 6.907 -2.803 -5.677 1.00 12.33 H new ATOM 0 HB1 ALA A 91 5.423 -4.780 -5.479 1.00 43.22 H new ATOM 0 HB2 ALA A 91 4.489 -3.270 -5.601 1.00 43.22 H new ATOM 0 HB3 ALA A 91 4.640 -4.340 -7.015 1.00 43.22 H new ATOM 1397 N ALA A 92 7.475 -4.075 -8.591 1.00 44.44 N ATOM 1398 CA ALA A 92 8.391 -4.877 -9.424 1.00 0.22 C ATOM 1399 C ALA A 92 9.803 -4.269 -9.462 1.00 24.23 C ATOM 1400 O ALA A 92 10.799 -4.997 -9.503 1.00 22.24 O ATOM 1401 CB ALA A 92 7.830 -4.993 -10.850 1.00 12.21 C ATOM 0 H ALA A 92 6.880 -3.448 -9.132 1.00 44.44 H new ATOM 0 HA ALA A 92 8.469 -5.869 -8.978 1.00 0.22 H new ATOM 0 HB1 ALA A 92 8.510 -5.586 -11.461 1.00 12.21 H new ATOM 0 HB2 ALA A 92 6.854 -5.477 -10.819 1.00 12.21 H new ATOM 0 HB3 ALA A 92 7.727 -3.998 -11.283 1.00 12.21 H new ATOM 1407 N THR A 93 9.875 -2.921 -9.461 1.00 0.21 N ATOM 1408 CA THR A 93 11.152 -2.184 -9.558 1.00 51.10 C ATOM 1409 C THR A 93 11.867 -2.098 -8.193 1.00 21.53 C ATOM 1410 O THR A 93 13.014 -1.646 -8.130 1.00 35.52 O ATOM 1411 CB THR A 93 10.936 -0.746 -10.146 1.00 63.43 C ATOM 1412 OG1 THR A 93 12.196 -0.110 -10.432 1.00 62.22 O ATOM 1413 CG2 THR A 93 10.120 0.156 -9.206 1.00 1.34 C ATOM 0 H THR A 93 9.056 -2.317 -9.393 1.00 0.21 H new ATOM 0 HA THR A 93 11.791 -2.746 -10.240 1.00 51.10 H new ATOM 0 HB THR A 93 10.371 -0.877 -11.069 1.00 63.43 H new ATOM 0 HG1 THR A 93 12.869 -0.414 -9.788 1.00 62.22 H new ATOM 0 HG21 THR A 93 9.999 1.140 -9.660 1.00 1.34 H new ATOM 0 HG22 THR A 93 9.139 -0.288 -9.036 1.00 1.34 H new ATOM 0 HG23 THR A 93 10.642 0.257 -8.255 1.00 1.34 H new ATOM 1421 N LEU A 94 11.184 -2.529 -7.111 1.00 22.25 N ATOM 1422 CA LEU A 94 11.770 -2.525 -5.756 1.00 5.30 C ATOM 1423 C LEU A 94 12.866 -3.590 -5.633 1.00 63.41 C ATOM 1424 O LEU A 94 12.683 -4.734 -6.062 1.00 51.23 O ATOM 1425 CB LEU A 94 10.702 -2.776 -4.655 1.00 35.43 C ATOM 1426 CG LEU A 94 9.513 -1.781 -4.608 1.00 1.41 C ATOM 1427 CD1 LEU A 94 8.593 -2.074 -3.407 1.00 10.34 C ATOM 1428 CD2 LEU A 94 9.995 -0.314 -4.618 1.00 72.11 C ATOM 0 H LEU A 94 10.228 -2.883 -7.151 1.00 22.25 H new ATOM 0 HA LEU A 94 12.196 -1.533 -5.607 1.00 5.30 H new ATOM 0 HB2 LEU A 94 10.302 -3.781 -4.790 1.00 35.43 H new ATOM 0 HB3 LEU A 94 11.200 -2.759 -3.686 1.00 35.43 H new ATOM 0 HG LEU A 94 8.925 -1.926 -5.514 1.00 1.41 H new ATOM 0 HD11 LEU A 94 7.768 -1.362 -3.398 1.00 10.34 H new ATOM 0 HD12 LEU A 94 8.198 -3.086 -3.490 1.00 10.34 H new ATOM 0 HD13 LEU A 94 9.162 -1.982 -2.482 1.00 10.34 H new ATOM 0 HD21 LEU A 94 9.133 0.352 -4.584 1.00 72.11 H new ATOM 0 HD22 LEU A 94 10.628 -0.133 -3.749 1.00 72.11 H new ATOM 0 HD23 LEU A 94 10.565 -0.124 -5.528 1.00 72.11 H new ATOM 1440 N ARG A 95 13.997 -3.191 -5.042 1.00 33.33 N ATOM 1441 CA ARG A 95 15.101 -4.106 -4.699 1.00 42.55 C ATOM 1442 C ARG A 95 15.181 -4.141 -3.171 1.00 0.13 C ATOM 1443 O ARG A 95 15.153 -3.081 -2.542 1.00 74.40 O ATOM 1444 CB ARG A 95 16.482 -3.632 -5.287 1.00 11.44 C ATOM 1445 CG ARG A 95 16.470 -3.142 -6.766 1.00 3.42 C ATOM 1446 CD ARG A 95 15.992 -1.679 -6.914 1.00 31.42 C ATOM 1447 NE ARG A 95 15.957 -1.209 -8.310 1.00 14.40 N ATOM 1448 CZ ARG A 95 16.355 0.009 -8.720 1.00 34.01 C ATOM 1449 NH1 ARG A 95 16.836 0.893 -7.845 1.00 45.31 N1+ ATOM 1450 NH2 ARG A 95 16.259 0.337 -9.995 1.00 30.53 N ATOM 0 H ARG A 95 14.177 -2.220 -4.785 1.00 33.33 H new ATOM 0 HA ARG A 95 14.903 -5.088 -5.128 1.00 42.55 H new ATOM 0 HB2 ARG A 95 16.861 -2.824 -4.662 1.00 11.44 H new ATOM 0 HB3 ARG A 95 17.190 -4.457 -5.205 1.00 11.44 H new ATOM 0 HG2 ARG A 95 17.473 -3.234 -7.182 1.00 3.42 H new ATOM 0 HG3 ARG A 95 15.821 -3.792 -7.353 1.00 3.42 H new ATOM 0 HD2 ARG A 95 14.995 -1.586 -6.483 1.00 31.42 H new ATOM 0 HD3 ARG A 95 16.651 -1.030 -6.337 1.00 31.42 H new ATOM 0 HE ARG A 95 15.605 -1.854 -9.017 1.00 14.40 H new ATOM 0 HH11 ARG A 95 16.904 0.648 -6.857 1.00 45.31 H new ATOM 0 HH12 ARG A 95 17.136 1.814 -8.163 1.00 45.31 H new ATOM 0 HH21 ARG A 95 15.884 -0.332 -10.667 1.00 30.53 H new ATOM 0 HH22 ARG A 95 16.560 1.260 -10.308 1.00 30.53 H new ATOM 1464 N LYS A 96 15.260 -5.333 -2.576 1.00 73.11 N ATOM 1465 CA LYS A 96 15.389 -5.464 -1.121 1.00 72.24 C ATOM 1466 C LYS A 96 16.780 -4.979 -0.693 1.00 33.53 C ATOM 1467 O LYS A 96 17.782 -5.599 -1.034 1.00 35.13 O ATOM 1468 CB LYS A 96 15.115 -6.928 -0.664 1.00 3.24 C ATOM 1469 CG LYS A 96 14.966 -7.090 0.874 1.00 43.30 C ATOM 1470 CD LYS A 96 14.163 -8.356 1.279 1.00 3.25 C ATOM 1471 CE LYS A 96 13.746 -8.330 2.765 1.00 62.43 C ATOM 1472 NZ LYS A 96 12.654 -9.308 3.048 1.00 22.24 N1+ ATOM 0 H LYS A 96 15.237 -6.221 -3.077 1.00 73.11 H new ATOM 0 HA LYS A 96 14.640 -4.841 -0.632 1.00 72.24 H new ATOM 0 HB2 LYS A 96 14.205 -7.285 -1.147 1.00 3.24 H new ATOM 0 HB3 LYS A 96 15.930 -7.565 -1.009 1.00 3.24 H new ATOM 0 HG2 LYS A 96 15.957 -7.136 1.326 1.00 43.30 H new ATOM 0 HG3 LYS A 96 14.471 -6.208 1.280 1.00 43.30 H new ATOM 0 HD2 LYS A 96 13.273 -8.435 0.655 1.00 3.25 H new ATOM 0 HD3 LYS A 96 14.766 -9.244 1.088 1.00 3.25 H new ATOM 0 HE2 LYS A 96 14.610 -8.558 3.390 1.00 62.43 H new ATOM 0 HE3 LYS A 96 13.415 -7.327 3.033 1.00 62.43 H new ATOM 0 HZ1 LYS A 96 12.470 -9.336 4.071 1.00 22.24 H new ATOM 0 HZ2 LYS A 96 11.789 -9.017 2.548 1.00 22.24 H new ATOM 0 HZ3 LYS A 96 12.941 -10.253 2.722 1.00 22.24 H new ATOM 1486 N THR A 97 16.806 -3.825 0.000 1.00 64.33 N ATOM 1487 CA THR A 97 18.030 -3.176 0.496 1.00 24.42 C ATOM 1488 C THR A 97 18.852 -4.143 1.376 1.00 43.32 C ATOM 1489 O THR A 97 18.268 -5.008 2.049 1.00 4.33 O ATOM 1490 CB THR A 97 17.648 -1.907 1.334 1.00 24.15 C ATOM 1491 OG1 THR A 97 16.776 -1.082 0.559 1.00 55.25 O ATOM 1492 CG2 THR A 97 18.863 -1.066 1.758 1.00 60.14 C ATOM 0 H THR A 97 15.958 -3.309 0.235 1.00 64.33 H new ATOM 0 HA THR A 97 18.637 -2.888 -0.362 1.00 24.42 H new ATOM 0 HB THR A 97 17.167 -2.265 2.244 1.00 24.15 H new ATOM 0 HG1 THR A 97 16.531 -0.287 1.077 1.00 55.25 H new ATOM 0 HG21 THR A 97 18.526 -0.204 2.334 1.00 60.14 H new ATOM 0 HG22 THR A 97 19.530 -1.673 2.370 1.00 60.14 H new ATOM 0 HG23 THR A 97 19.396 -0.724 0.871 1.00 60.14 H new ATOM 1500 N ASP A 98 20.197 -3.999 1.340 1.00 13.43 N ATOM 1501 CA ASP A 98 21.115 -4.704 2.251 1.00 60.15 C ATOM 1502 C ASP A 98 20.676 -4.488 3.700 1.00 31.32 C ATOM 1503 O ASP A 98 20.391 -3.350 4.098 1.00 53.53 O ATOM 1504 CB ASP A 98 22.570 -4.214 2.052 1.00 74.25 C ATOM 1505 CG ASP A 98 23.184 -4.713 0.736 1.00 50.34 C ATOM 1506 OD1 ASP A 98 23.132 -3.991 -0.286 1.00 10.20 O ATOM 1507 OD2 ASP A 98 23.717 -5.844 0.720 1.00 61.42 O1- ATOM 0 H ASP A 98 20.672 -3.388 0.675 1.00 13.43 H new ATOM 0 HA ASP A 98 21.081 -5.769 2.023 1.00 60.15 H new ATOM 0 HB2 ASP A 98 22.588 -3.124 2.067 1.00 74.25 H new ATOM 0 HB3 ASP A 98 23.182 -4.555 2.887 1.00 74.25 H new ATOM 1512 N VAL A 99 20.612 -5.594 4.451 1.00 31.13 N ATOM 1513 CA VAL A 99 20.092 -5.623 5.818 1.00 65.52 C ATOM 1514 C VAL A 99 20.947 -4.717 6.743 1.00 12.14 C ATOM 1515 O VAL A 99 22.135 -4.999 6.956 1.00 4.43 O ATOM 1516 CB VAL A 99 20.064 -7.099 6.375 1.00 33.23 C ATOM 1517 CG1 VAL A 99 19.539 -7.142 7.829 1.00 25.02 C ATOM 1518 CG2 VAL A 99 19.226 -8.025 5.451 1.00 3.55 C ATOM 0 H VAL A 99 20.925 -6.506 4.119 1.00 31.13 H new ATOM 0 HA VAL A 99 19.071 -5.242 5.801 1.00 65.52 H new ATOM 0 HB VAL A 99 21.089 -7.470 6.384 1.00 33.23 H new ATOM 0 HG11 VAL A 99 19.532 -8.173 8.183 1.00 25.02 H new ATOM 0 HG12 VAL A 99 20.188 -6.543 8.468 1.00 25.02 H new ATOM 0 HG13 VAL A 99 18.526 -6.740 7.862 1.00 25.02 H new ATOM 0 HG21 VAL A 99 19.222 -9.037 5.857 1.00 3.55 H new ATOM 0 HG22 VAL A 99 18.203 -7.653 5.394 1.00 3.55 H new ATOM 0 HG23 VAL A 99 19.664 -8.036 4.453 1.00 3.55 H new ATOM 1528 N PRO A 100 20.365 -3.587 7.272 1.00 61.44 N ATOM 1529 CA PRO A 100 21.077 -2.673 8.200 1.00 24.42 C ATOM 1530 C PRO A 100 21.366 -3.343 9.556 1.00 63.12 C ATOM 1531 O PRO A 100 20.848 -4.434 9.830 1.00 61.40 O ATOM 1532 CB PRO A 100 20.106 -1.462 8.350 1.00 52.44 C ATOM 1533 CG PRO A 100 19.106 -1.615 7.237 1.00 22.32 C ATOM 1534 CD PRO A 100 18.980 -3.104 7.009 1.00 64.13 C ATOM 0 HA PRO A 100 22.057 -2.379 7.823 1.00 24.42 H new ATOM 0 HB2 PRO A 100 19.615 -1.469 9.323 1.00 52.44 H new ATOM 0 HB3 PRO A 100 20.642 -0.516 8.270 1.00 52.44 H new ATOM 0 HG2 PRO A 100 18.146 -1.177 7.509 1.00 22.32 H new ATOM 0 HG3 PRO A 100 19.443 -1.107 6.334 1.00 22.32 H new ATOM 0 HD2 PRO A 100 18.256 -3.559 7.685 1.00 64.13 H new ATOM 0 HD3 PRO A 100 18.656 -3.333 5.994 1.00 64.13 H new ATOM 1542 N VAL A 101 22.179 -2.655 10.396 1.00 43.40 N ATOM 1543 CA VAL A 101 22.645 -3.148 11.718 1.00 43.03 C ATOM 1544 C VAL A 101 23.721 -4.244 11.543 1.00 52.41 C ATOM 1545 O VAL A 101 24.864 -4.086 11.983 1.00 22.31 O ATOM 1546 CB VAL A 101 21.475 -3.649 12.662 1.00 54.54 C ATOM 1547 CG1 VAL A 101 22.014 -4.100 14.039 1.00 63.41 C ATOM 1548 CG2 VAL A 101 20.389 -2.552 12.809 1.00 52.22 C ATOM 0 H VAL A 101 22.536 -1.726 10.171 1.00 43.40 H new ATOM 0 HA VAL A 101 23.086 -2.289 12.223 1.00 43.03 H new ATOM 0 HB VAL A 101 21.014 -4.521 12.198 1.00 54.54 H new ATOM 0 HG11 VAL A 101 21.185 -4.437 14.661 1.00 63.41 H new ATOM 0 HG12 VAL A 101 22.722 -4.918 13.903 1.00 63.41 H new ATOM 0 HG13 VAL A 101 22.516 -3.263 14.525 1.00 63.41 H new ATOM 0 HG21 VAL A 101 19.593 -2.913 13.460 1.00 52.22 H new ATOM 0 HG22 VAL A 101 20.833 -1.656 13.241 1.00 52.22 H new ATOM 0 HG23 VAL A 101 19.976 -2.315 11.828 1.00 52.22 H new ATOM 1558 N GLU A 102 23.359 -5.330 10.839 1.00 11.53 N ATOM 1559 CA GLU A 102 24.255 -6.472 10.557 1.00 45.20 C ATOM 1560 C GLU A 102 25.248 -6.179 9.398 1.00 0.15 C ATOM 1561 O GLU A 102 25.722 -7.105 8.734 1.00 32.53 O ATOM 1562 CB GLU A 102 23.387 -7.727 10.245 1.00 64.02 C ATOM 1563 CG GLU A 102 22.391 -8.100 11.365 1.00 2.13 C ATOM 1564 CD GLU A 102 21.595 -9.383 11.066 1.00 15.11 C ATOM 1565 OE1 GLU A 102 20.506 -9.297 10.453 1.00 31.11 O ATOM 1566 OE2 GLU A 102 22.058 -10.485 11.430 1.00 51.53 O1- ATOM 0 H GLU A 102 22.426 -5.444 10.444 1.00 11.53 H new ATOM 0 HA GLU A 102 24.868 -6.653 11.440 1.00 45.20 H new ATOM 0 HB2 GLU A 102 22.832 -7.551 9.324 1.00 64.02 H new ATOM 0 HB3 GLU A 102 24.047 -8.575 10.063 1.00 64.02 H new ATOM 0 HG2 GLU A 102 22.937 -8.228 12.300 1.00 2.13 H new ATOM 0 HG3 GLU A 102 21.695 -7.274 11.513 1.00 2.13 H new ATOM 1573 N GLN A 103 25.567 -4.888 9.179 1.00 32.15 N ATOM 1574 CA GLN A 103 26.602 -4.451 8.238 1.00 22.24 C ATOM 1575 C GLN A 103 27.873 -4.061 9.039 1.00 63.24 C ATOM 1576 O GLN A 103 27.941 -2.953 9.588 1.00 25.43 O ATOM 1577 CB GLN A 103 26.075 -3.255 7.391 1.00 41.13 C ATOM 1578 CG GLN A 103 27.059 -2.731 6.322 1.00 14.23 C ATOM 1579 CD GLN A 103 27.457 -3.796 5.298 1.00 71.11 C ATOM 1580 OE1 GLN A 103 28.441 -4.514 5.478 1.00 23.31 O ATOM 1581 NE2 GLN A 103 26.685 -3.927 4.235 1.00 12.10 N ATOM 0 H GLN A 103 25.105 -4.116 9.659 1.00 32.15 H new ATOM 0 HA GLN A 103 26.855 -5.258 7.550 1.00 22.24 H new ATOM 0 HB2 GLN A 103 25.152 -3.558 6.897 1.00 41.13 H new ATOM 0 HB3 GLN A 103 25.822 -2.436 8.064 1.00 41.13 H new ATOM 0 HG2 GLN A 103 26.605 -1.887 5.802 1.00 14.23 H new ATOM 0 HG3 GLN A 103 27.956 -2.357 6.815 1.00 14.23 H new ATOM 0 HE21 GLN A 103 25.876 -3.317 4.114 1.00 12.10 H new ATOM 0 HE22 GLN A 103 26.897 -4.638 3.535 1.00 12.10 H new ATOM 1590 N PRO A 104 28.893 -4.970 9.143 1.00 23.33 N ATOM 1591 CA PRO A 104 30.144 -4.700 9.890 1.00 33.15 C ATOM 1592 C PRO A 104 31.236 -4.047 9.009 1.00 52.23 C ATOM 1593 O PRO A 104 32.430 -4.165 9.308 1.00 40.25 O ATOM 1594 CB PRO A 104 30.536 -6.125 10.344 1.00 1.23 C ATOM 1595 CG PRO A 104 30.128 -7.010 9.200 1.00 74.21 C ATOM 1596 CD PRO A 104 28.914 -6.346 8.561 1.00 64.31 C ATOM 0 HA PRO A 104 30.024 -3.987 10.705 1.00 33.15 H new ATOM 0 HB2 PRO A 104 31.606 -6.199 10.541 1.00 1.23 H new ATOM 0 HB3 PRO A 104 30.023 -6.404 11.264 1.00 1.23 H new ATOM 0 HG2 PRO A 104 30.939 -7.114 8.479 1.00 74.21 H new ATOM 0 HG3 PRO A 104 29.884 -8.012 9.551 1.00 74.21 H new ATOM 0 HD2 PRO A 104 29.003 -6.317 7.475 1.00 64.31 H new ATOM 0 HD3 PRO A 104 27.997 -6.889 8.791 1.00 64.31 H new ATOM 1604 N PHE A 105 30.800 -3.335 7.952 1.00 72.35 N ATOM 1605 CA PHE A 105 31.691 -2.695 6.976 1.00 11.24 C ATOM 1606 C PHE A 105 32.425 -1.486 7.599 1.00 14.14 C ATOM 1607 O PHE A 105 31.871 -0.386 7.662 1.00 74.34 O ATOM 1608 CB PHE A 105 30.872 -2.270 5.720 1.00 11.11 C ATOM 1609 CG PHE A 105 31.698 -1.658 4.580 1.00 44.11 C ATOM 1610 CD1 PHE A 105 32.436 -2.463 3.719 1.00 41.32 C ATOM 1611 CD2 PHE A 105 31.729 -0.273 4.373 1.00 44.30 C ATOM 1612 CE1 PHE A 105 33.178 -1.913 2.689 1.00 23.02 C ATOM 1613 CE2 PHE A 105 32.470 0.274 3.344 1.00 34.45 C ATOM 1614 CZ PHE A 105 33.194 -0.546 2.504 1.00 62.41 C ATOM 0 H PHE A 105 29.810 -3.189 7.753 1.00 72.35 H new ATOM 0 HA PHE A 105 32.453 -3.413 6.672 1.00 11.24 H new ATOM 0 HB2 PHE A 105 30.344 -3.143 5.337 1.00 11.11 H new ATOM 0 HB3 PHE A 105 30.114 -1.549 6.027 1.00 11.11 H new ATOM 0 HD1 PHE A 105 32.430 -3.534 3.857 1.00 41.32 H new ATOM 0 HD2 PHE A 105 31.166 0.376 5.027 1.00 44.30 H new ATOM 0 HE1 PHE A 105 33.745 -2.554 2.030 1.00 23.02 H new ATOM 0 HE2 PHE A 105 32.483 1.344 3.197 1.00 34.45 H new ATOM 0 HZ PHE A 105 33.774 -0.117 1.700 1.00 62.41 H new ATOM 1624 N VAL A 106 33.640 -1.767 8.114 1.00 54.03 N ATOM 1625 CA VAL A 106 34.661 -0.772 8.516 1.00 35.31 C ATOM 1626 C VAL A 106 34.097 0.361 9.415 1.00 54.03 C ATOM 1627 O VAL A 106 33.749 1.449 8.929 1.00 61.12 O ATOM 1628 CB VAL A 106 35.413 -0.188 7.252 1.00 45.34 C ATOM 1629 CG1 VAL A 106 36.653 0.630 7.671 1.00 53.25 C ATOM 1630 CG2 VAL A 106 35.797 -1.314 6.255 1.00 22.40 C ATOM 0 H VAL A 106 33.950 -2.727 8.268 1.00 54.03 H new ATOM 0 HA VAL A 106 35.384 -1.307 9.131 1.00 35.31 H new ATOM 0 HB VAL A 106 34.726 0.486 6.741 1.00 45.34 H new ATOM 0 HG11 VAL A 106 37.150 1.019 6.782 1.00 53.25 H new ATOM 0 HG12 VAL A 106 36.344 1.460 8.306 1.00 53.25 H new ATOM 0 HG13 VAL A 106 37.343 -0.010 8.221 1.00 53.25 H new ATOM 0 HG21 VAL A 106 36.312 -0.881 5.398 1.00 22.40 H new ATOM 0 HG22 VAL A 106 36.454 -2.029 6.750 1.00 22.40 H new ATOM 0 HG23 VAL A 106 34.895 -1.824 5.917 1.00 22.40 H new ATOM 1640 N HIS A 107 33.966 0.072 10.717 1.00 71.30 N ATOM 1641 CA HIS A 107 33.455 1.043 11.709 1.00 75.43 C ATOM 1642 C HIS A 107 34.431 2.220 11.889 1.00 23.22 C ATOM 1643 O HIS A 107 34.006 3.371 12.024 1.00 74.11 O ATOM 1644 CB HIS A 107 33.204 0.349 13.063 1.00 53.13 C ATOM 1645 CG HIS A 107 32.608 1.246 14.131 1.00 0.43 C ATOM 1646 ND1 HIS A 107 31.293 1.659 14.111 1.00 44.43 N ATOM 1647 CD2 HIS A 107 33.152 1.819 15.235 1.00 12.51 C ATOM 1648 CE1 HIS A 107 31.060 2.445 15.142 1.00 64.43 C ATOM 1649 NE2 HIS A 107 32.168 2.556 15.844 1.00 61.24 N ATOM 0 H HIS A 107 34.208 -0.835 11.116 1.00 71.30 H new ATOM 0 HA HIS A 107 32.511 1.438 11.334 1.00 75.43 H new ATOM 0 HB2 HIS A 107 32.536 -0.498 12.904 1.00 53.13 H new ATOM 0 HB3 HIS A 107 34.148 -0.054 13.430 1.00 53.13 H new ATOM 0 HD2 HIS A 107 34.173 1.714 15.572 1.00 12.51 H new ATOM 0 HE1 HIS A 107 30.117 2.919 15.373 1.00 64.43 H new ATOM 0 HE2 HIS A 107 32.277 3.100 16.700 1.00 61.24 H new ATOM 1658 N SER A 108 35.734 1.908 11.925 1.00 55.24 N ATOM 1659 CA SER A 108 36.802 2.916 11.994 1.00 41.30 C ATOM 1660 C SER A 108 37.605 2.899 10.673 1.00 52.03 C ATOM 1661 O SER A 108 38.491 2.052 10.492 1.00 21.02 O ATOM 1662 CB SER A 108 37.703 2.646 13.220 1.00 75.31 C ATOM 1663 OG SER A 108 38.137 1.296 13.258 1.00 21.43 O ATOM 0 H SER A 108 36.078 0.948 11.907 1.00 55.24 H new ATOM 0 HA SER A 108 36.373 3.910 12.117 1.00 41.30 H new ATOM 0 HB2 SER A 108 38.569 3.307 13.189 1.00 75.31 H new ATOM 0 HB3 SER A 108 37.156 2.879 14.133 1.00 75.31 H new ATOM 0 HG SER A 108 38.436 1.023 12.365 1.00 21.43 H new ATOM 1669 N PRO A 109 37.269 3.800 9.690 1.00 35.34 N ATOM 1670 CA PRO A 109 38.032 3.926 8.423 1.00 4.21 C ATOM 1671 C PRO A 109 39.268 4.845 8.551 1.00 5.14 C ATOM 1672 O PRO A 109 39.899 5.175 7.541 1.00 74.14 O ATOM 1673 CB PRO A 109 36.978 4.525 7.472 1.00 31.10 C ATOM 1674 CG PRO A 109 36.156 5.417 8.352 1.00 53.10 C ATOM 1675 CD PRO A 109 36.108 4.736 9.707 1.00 43.02 C ATOM 0 HA PRO A 109 38.452 2.978 8.086 1.00 4.21 H new ATOM 0 HB2 PRO A 109 37.445 5.085 6.662 1.00 31.10 H new ATOM 0 HB3 PRO A 109 36.368 3.747 7.012 1.00 31.10 H new ATOM 0 HG2 PRO A 109 36.602 6.408 8.429 1.00 53.10 H new ATOM 0 HG3 PRO A 109 35.153 5.550 7.946 1.00 53.10 H new ATOM 0 HD2 PRO A 109 36.192 5.459 10.519 1.00 43.02 H new ATOM 0 HD3 PRO A 109 35.169 4.202 9.851 1.00 43.02 H new ATOM 1683 N GLU A 110 39.589 5.250 9.791 1.00 13.45 N ATOM 1684 CA GLU A 110 40.710 6.143 10.094 1.00 14.30 C ATOM 1685 C GLU A 110 41.245 5.799 11.494 1.00 2.24 C ATOM 1686 O GLU A 110 40.462 5.751 12.453 1.00 73.22 O ATOM 1687 CB GLU A 110 40.229 7.616 10.037 1.00 61.53 C ATOM 1688 CG GLU A 110 41.334 8.662 10.274 1.00 65.11 C ATOM 1689 CD GLU A 110 40.787 10.098 10.280 1.00 60.31 C ATOM 1690 OE1 GLU A 110 40.755 10.753 9.212 1.00 24.30 O ATOM 1691 OE2 GLU A 110 40.360 10.568 11.350 1.00 51.14 O1- ATOM 0 H GLU A 110 39.068 4.960 10.619 1.00 13.45 H new ATOM 0 HA GLU A 110 41.508 6.015 9.363 1.00 14.30 H new ATOM 0 HB2 GLU A 110 39.777 7.799 9.062 1.00 61.53 H new ATOM 0 HB3 GLU A 110 39.447 7.758 10.783 1.00 61.53 H new ATOM 0 HG2 GLU A 110 41.825 8.459 11.226 1.00 65.11 H new ATOM 0 HG3 GLU A 110 42.093 8.568 9.497 1.00 65.11 H new ATOM 1698 N ASP A 111 42.564 5.545 11.589 1.00 32.44 N ATOM 1699 CA ASP A 111 43.243 5.245 12.856 1.00 40.33 C ATOM 1700 C ASP A 111 44.768 5.402 12.649 1.00 55.42 C ATOM 1701 O ASP A 111 45.318 6.458 13.018 1.00 60.45 O ATOM 1702 CB ASP A 111 42.880 3.821 13.371 1.00 70.11 C ATOM 1703 CG ASP A 111 43.446 3.542 14.777 1.00 23.11 C ATOM 1704 OD1 ASP A 111 44.563 2.979 14.898 1.00 74.13 O ATOM 1705 OD2 ASP A 111 42.776 3.900 15.769 1.00 3.50 O1- ATOM 1706 OXT ASP A 111 45.399 4.496 12.051 1.00 37.89 O1- ATOM 0 H ASP A 111 43.188 5.543 10.782 1.00 32.44 H new ATOM 0 HA ASP A 111 42.909 5.945 13.622 1.00 40.33 H new ATOM 0 HB2 ASP A 111 41.796 3.710 13.390 1.00 70.11 H new ATOM 0 HB3 ASP A 111 43.264 3.077 12.674 1.00 70.11 H new TER 1711 ASP A 111