USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=17 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 103 GLN : amide:sc= 0.117 K(o=0.12,f=-2.1!) USER MOD Set 1.2: A 107 HIS : no HD1:sc= 0 K(o=0.12,f=-0.44) USER MOD Set 2.1: A 84 HIS : no HD1:sc= 0.202 X(o=0.61,f=0.33) USER MOD Set 2.2: A 93 THR OG1 : rot 148:sc= 0.409 USER MOD Set 3.1: A 18 ASN : amide:sc= -1.26! K(o=0.4!,f=-3.7) USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 50 THR OG1 : rot -49:sc= 1.66 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0742 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 52:sc= 0.106 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.649 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0202) USER MOD Single : A 12 HIS : no HD1:sc= -0.166 K(o=-0.17,f=-2.7) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -1.99! K(o=-2!,f=-0.098) USER MOD Single : A 38 GLN : amide:sc= -3.31! K(o=-3.3!,f=-0.9) USER MOD Single : A 39 GLN : amide:sc= -0.0385 X(o=-0.038,f=-0.038) USER MOD Single : A 42 SER OG : rot -4:sc= 0.0165 USER MOD Single : A 43 THR OG1 : rot -109:sc= -2.15! USER MOD Single : A 45 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.0017) USER MOD Single : A 54 GLN : amide:sc=-0.00249 K(o=-0.0025,f=-2.7!) USER MOD Single : A 55 GLN : amide:sc= -0.564 K(o=-0.56,f=-3.1!) USER MOD Single : A 59 SER OG : rot 180:sc=0.000621 USER MOD Single : A 63 THR OG1 : rot 65:sc= -0.441 USER MOD Single : A 66 THR OG1 : rot -83:sc= 0.274 USER MOD Single : A 68 GLN : amide:sc= -0.16 K(o=-0.16,f=0.4) USER MOD Single : A 70 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-5.9!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0.256 K(o=0.26,f=-0.27) USER MOD Single : A 79 SER OG : rot 180:sc= 0.00591 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.017 USER MOD Single : A 108 SER OG : rot 2:sc= 0.313 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.907 -15.160 -7.812 1.00 51.43 N ATOM 2 CA GLY A 1 -12.758 -16.003 -8.671 1.00 34.54 C ATOM 3 C GLY A 1 -11.955 -16.739 -9.721 1.00 45.41 C ATOM 4 O GLY A 1 -10.762 -16.450 -9.911 1.00 55.13 O ATOM 0 H1 GLY A 1 -11.985 -15.479 -6.825 1.00 51.43 H new ATOM 0 H2 GLY A 1 -10.917 -15.235 -8.123 1.00 51.43 H new ATOM 0 H3 GLY A 1 -12.217 -14.170 -7.881 1.00 51.43 H new ATOM 0 HA2 GLY A 1 -13.294 -16.724 -8.054 1.00 34.54 H new ATOM 0 HA3 GLY A 1 -13.508 -15.381 -9.159 1.00 34.54 H new ATOM 10 N THR A 2 -12.618 -17.669 -10.432 1.00 51.10 N ATOM 11 CA THR A 2 -11.993 -18.504 -11.464 1.00 34.24 C ATOM 12 C THR A 2 -12.045 -17.808 -12.844 1.00 63.44 C ATOM 13 O THR A 2 -12.836 -18.175 -13.722 1.00 13.35 O ATOM 14 CB THR A 2 -12.657 -19.929 -11.514 1.00 3.11 C ATOM 15 OG1 THR A 2 -14.084 -19.801 -11.649 1.00 3.10 O ATOM 16 CG2 THR A 2 -12.330 -20.761 -10.254 1.00 74.43 C ATOM 0 H THR A 2 -13.611 -17.861 -10.302 1.00 51.10 H new ATOM 0 HA THR A 2 -10.944 -18.639 -11.201 1.00 34.24 H new ATOM 0 HB THR A 2 -12.247 -20.452 -12.378 1.00 3.11 H new ATOM 0 HG1 THR A 2 -14.290 -19.215 -12.407 1.00 3.10 H new ATOM 0 HG21 THR A 2 -12.808 -21.738 -10.329 1.00 74.43 H new ATOM 0 HG22 THR A 2 -11.251 -20.890 -10.173 1.00 74.43 H new ATOM 0 HG23 THR A 2 -12.701 -20.243 -9.370 1.00 74.43 H new ATOM 24 N ILE A 3 -11.217 -16.757 -12.992 1.00 2.02 N ATOM 25 CA ILE A 3 -10.957 -16.067 -14.278 1.00 74.22 C ATOM 26 C ILE A 3 -9.450 -15.765 -14.361 1.00 1.21 C ATOM 27 O ILE A 3 -8.799 -15.503 -13.338 1.00 61.11 O ATOM 28 CB ILE A 3 -11.794 -14.733 -14.510 1.00 25.44 C ATOM 29 CG1 ILE A 3 -11.578 -13.666 -13.379 1.00 3.31 C ATOM 30 CG2 ILE A 3 -13.298 -15.040 -14.715 1.00 11.33 C ATOM 31 CD1 ILE A 3 -12.259 -13.944 -12.040 1.00 11.35 C ATOM 0 H ILE A 3 -10.699 -16.354 -12.211 1.00 2.02 H new ATOM 0 HA ILE A 3 -11.286 -16.741 -15.069 1.00 74.22 H new ATOM 0 HB ILE A 3 -11.409 -14.287 -15.427 1.00 25.44 H new ATOM 0 HG12 ILE A 3 -10.507 -13.568 -13.203 1.00 3.31 H new ATOM 0 HG13 ILE A 3 -11.930 -12.702 -13.747 1.00 3.31 H new ATOM 0 HG21 ILE A 3 -13.842 -14.108 -14.871 1.00 11.33 H new ATOM 0 HG22 ILE A 3 -13.423 -15.683 -15.586 1.00 11.33 H new ATOM 0 HG23 ILE A 3 -13.690 -15.545 -13.832 1.00 11.33 H new ATOM 0 HD11 ILE A 3 -12.035 -13.136 -11.343 1.00 11.35 H new ATOM 0 HD12 ILE A 3 -13.337 -14.008 -12.186 1.00 11.35 H new ATOM 0 HD13 ILE A 3 -11.892 -14.886 -11.634 1.00 11.35 H new ATOM 43 N ASP A 4 -8.909 -15.812 -15.579 1.00 2.21 N ATOM 44 CA ASP A 4 -7.461 -15.762 -15.822 1.00 74.04 C ATOM 45 C ASP A 4 -6.980 -14.303 -15.955 1.00 52.54 C ATOM 46 O ASP A 4 -6.977 -13.743 -17.048 1.00 63.51 O ATOM 47 CB ASP A 4 -7.139 -16.583 -17.098 1.00 30.24 C ATOM 48 CG ASP A 4 -7.542 -18.067 -16.999 1.00 41.53 C ATOM 49 OD1 ASP A 4 -8.752 -18.371 -17.082 1.00 2.14 O ATOM 50 OD2 ASP A 4 -6.658 -18.940 -16.838 1.00 2.12 O1- ATOM 0 H ASP A 4 -9.464 -15.886 -16.432 1.00 2.21 H new ATOM 0 HA ASP A 4 -6.930 -16.198 -14.976 1.00 74.04 H new ATOM 0 HB2 ASP A 4 -7.652 -16.133 -17.948 1.00 30.24 H new ATOM 0 HB3 ASP A 4 -6.070 -16.519 -17.300 1.00 30.24 H new ATOM 55 N TYR A 5 -6.610 -13.685 -14.820 1.00 4.55 N ATOM 56 CA TYR A 5 -6.067 -12.304 -14.786 1.00 5.31 C ATOM 57 C TYR A 5 -4.708 -12.205 -15.506 1.00 15.04 C ATOM 58 O TYR A 5 -4.438 -11.226 -16.211 1.00 45.12 O ATOM 59 CB TYR A 5 -5.917 -11.818 -13.321 1.00 62.24 C ATOM 60 CG TYR A 5 -7.250 -11.622 -12.587 1.00 23.34 C ATOM 61 CD1 TYR A 5 -8.067 -10.523 -12.873 1.00 71.43 C ATOM 62 CD2 TYR A 5 -7.688 -12.521 -11.606 1.00 11.12 C ATOM 63 CE1 TYR A 5 -9.263 -10.332 -12.211 1.00 53.32 C ATOM 64 CE2 TYR A 5 -8.887 -12.328 -10.944 1.00 41.10 C ATOM 65 CZ TYR A 5 -9.667 -11.235 -11.250 1.00 65.24 C ATOM 66 OH TYR A 5 -10.865 -11.042 -10.597 1.00 31.13 O ATOM 0 H TYR A 5 -6.676 -14.122 -13.900 1.00 4.55 H new ATOM 0 HA TYR A 5 -6.776 -11.664 -15.312 1.00 5.31 H new ATOM 0 HB2 TYR A 5 -5.314 -12.540 -12.770 1.00 62.24 H new ATOM 0 HB3 TYR A 5 -5.370 -10.875 -13.316 1.00 62.24 H new ATOM 0 HD1 TYR A 5 -7.757 -9.812 -13.624 1.00 71.43 H new ATOM 0 HD2 TYR A 5 -7.079 -13.379 -11.363 1.00 11.12 H new ATOM 0 HE1 TYR A 5 -9.881 -9.478 -12.445 1.00 53.32 H new ATOM 0 HE2 TYR A 5 -9.210 -13.031 -10.191 1.00 41.10 H new ATOM 0 HH TYR A 5 -11.006 -11.765 -9.951 1.00 31.13 H new ATOM 76 N GLN A 6 -3.868 -13.232 -15.312 1.00 65.12 N ATOM 77 CA GLN A 6 -2.496 -13.272 -15.850 1.00 24.12 C ATOM 78 C GLN A 6 -2.476 -13.714 -17.335 1.00 21.13 C ATOM 79 O GLN A 6 -1.679 -13.187 -18.120 1.00 63.22 O ATOM 80 CB GLN A 6 -1.599 -14.194 -14.971 1.00 20.04 C ATOM 81 CG GLN A 6 -2.025 -15.673 -14.927 1.00 50.32 C ATOM 82 CD GLN A 6 -1.275 -16.508 -13.887 1.00 61.04 C ATOM 83 OE1 GLN A 6 -0.217 -17.069 -14.163 1.00 22.01 O ATOM 84 NE2 GLN A 6 -1.825 -16.604 -12.684 1.00 73.44 N ATOM 0 H GLN A 6 -4.120 -14.062 -14.776 1.00 65.12 H new ATOM 0 HA GLN A 6 -2.089 -12.261 -15.815 1.00 24.12 H new ATOM 0 HB2 GLN A 6 -0.575 -14.138 -15.341 1.00 20.04 H new ATOM 0 HB3 GLN A 6 -1.592 -13.804 -13.953 1.00 20.04 H new ATOM 0 HG2 GLN A 6 -3.093 -15.726 -14.718 1.00 50.32 H new ATOM 0 HG3 GLN A 6 -1.870 -16.114 -15.912 1.00 50.32 H new ATOM 0 HE21 GLN A 6 -2.704 -16.126 -12.486 1.00 73.44 H new ATOM 0 HE22 GLN A 6 -1.369 -17.155 -11.957 1.00 73.44 H new ATOM 93 N ALA A 7 -3.369 -14.662 -17.710 1.00 21.30 N ATOM 94 CA ALA A 7 -3.425 -15.217 -19.087 1.00 62.55 C ATOM 95 C ALA A 7 -4.086 -14.233 -20.063 1.00 53.33 C ATOM 96 O ALA A 7 -3.712 -14.168 -21.241 1.00 63.03 O ATOM 97 CB ALA A 7 -4.151 -16.567 -19.101 1.00 33.14 C ATOM 0 H ALA A 7 -4.063 -15.060 -17.077 1.00 21.30 H new ATOM 0 HA ALA A 7 -2.400 -15.375 -19.421 1.00 62.55 H new ATOM 0 HB1 ALA A 7 -4.180 -16.954 -20.120 1.00 33.14 H new ATOM 0 HB2 ALA A 7 -3.621 -17.272 -18.460 1.00 33.14 H new ATOM 0 HB3 ALA A 7 -5.169 -16.437 -18.734 1.00 33.14 H new ATOM 103 N LEU A 8 -5.093 -13.488 -19.564 1.00 34.02 N ATOM 104 CA LEU A 8 -5.706 -12.364 -20.310 1.00 65.30 C ATOM 105 C LEU A 8 -4.765 -11.145 -20.269 1.00 23.11 C ATOM 106 O LEU A 8 -4.715 -10.365 -21.226 1.00 53.31 O ATOM 107 CB LEU A 8 -7.120 -11.997 -19.740 1.00 72.24 C ATOM 108 CG LEU A 8 -8.334 -12.832 -20.283 1.00 11.23 C ATOM 109 CD1 LEU A 8 -8.171 -14.341 -20.032 1.00 22.14 C ATOM 110 CD2 LEU A 8 -9.671 -12.310 -19.704 1.00 22.12 C ATOM 0 H LEU A 8 -5.503 -13.644 -18.643 1.00 34.02 H new ATOM 0 HA LEU A 8 -5.848 -12.673 -21.345 1.00 65.30 H new ATOM 0 HB2 LEU A 8 -7.089 -12.106 -18.656 1.00 72.24 H new ATOM 0 HB3 LEU A 8 -7.309 -10.944 -19.950 1.00 72.24 H new ATOM 0 HG LEU A 8 -8.353 -12.695 -21.364 1.00 11.23 H new ATOM 0 HD11 LEU A 8 -9.038 -14.871 -20.427 1.00 22.14 H new ATOM 0 HD12 LEU A 8 -7.269 -14.697 -20.530 1.00 22.14 H new ATOM 0 HD13 LEU A 8 -8.090 -14.525 -18.961 1.00 22.14 H new ATOM 0 HD21 LEU A 8 -10.495 -12.906 -20.097 1.00 22.12 H new ATOM 0 HD22 LEU A 8 -9.652 -12.388 -18.617 1.00 22.12 H new ATOM 0 HD23 LEU A 8 -9.809 -11.267 -19.990 1.00 22.12 H new ATOM 122 N LYS A 9 -4.072 -10.980 -19.118 1.00 40.52 N ATOM 123 CA LYS A 9 -3.038 -9.939 -18.896 1.00 2.42 C ATOM 124 C LYS A 9 -3.652 -8.505 -18.889 1.00 50.43 C ATOM 125 O LYS A 9 -2.934 -7.496 -18.794 1.00 54.13 O ATOM 126 CB LYS A 9 -1.876 -10.108 -19.939 1.00 70.43 C ATOM 127 CG LYS A 9 -0.663 -9.168 -19.770 1.00 43.34 C ATOM 128 CD LYS A 9 0.443 -9.394 -20.825 1.00 71.24 C ATOM 129 CE LYS A 9 1.506 -8.277 -20.809 1.00 32.32 C ATOM 130 NZ LYS A 9 2.105 -8.078 -19.461 1.00 54.30 N1+ ATOM 0 H LYS A 9 -4.217 -11.576 -18.303 1.00 40.52 H new ATOM 0 HA LYS A 9 -2.608 -10.074 -17.904 1.00 2.42 H new ATOM 0 HB2 LYS A 9 -1.520 -11.137 -19.891 1.00 70.43 H new ATOM 0 HB3 LYS A 9 -2.288 -9.959 -20.937 1.00 70.43 H new ATOM 0 HG2 LYS A 9 -1.004 -8.134 -19.828 1.00 43.34 H new ATOM 0 HG3 LYS A 9 -0.240 -9.309 -18.775 1.00 43.34 H new ATOM 0 HD2 LYS A 9 0.926 -10.354 -20.642 1.00 71.24 H new ATOM 0 HD3 LYS A 9 -0.009 -9.448 -21.816 1.00 71.24 H new ATOM 0 HE2 LYS A 9 2.295 -8.521 -21.521 1.00 32.32 H new ATOM 0 HE3 LYS A 9 1.052 -7.344 -21.143 1.00 32.32 H new ATOM 0 HZ1 LYS A 9 2.893 -7.403 -19.528 1.00 54.30 H new ATOM 0 HZ2 LYS A 9 1.383 -7.705 -18.812 1.00 54.30 H new ATOM 0 HZ3 LYS A 9 2.458 -8.987 -19.100 1.00 54.30 H new ATOM 144 N ARG A 10 -5.004 -8.422 -18.910 1.00 13.13 N ATOM 145 CA ARG A 10 -5.724 -7.147 -19.039 1.00 21.41 C ATOM 146 C ARG A 10 -5.750 -6.389 -17.700 1.00 14.23 C ATOM 147 O ARG A 10 -6.591 -6.632 -16.831 1.00 22.01 O ATOM 148 CB ARG A 10 -7.159 -7.356 -19.616 1.00 1.43 C ATOM 149 CG ARG A 10 -8.015 -6.060 -19.755 1.00 22.01 C ATOM 150 CD ARG A 10 -7.275 -4.901 -20.458 1.00 50.22 C ATOM 151 NE ARG A 10 -6.839 -5.239 -21.831 1.00 33.02 N ATOM 152 CZ ARG A 10 -7.288 -4.663 -22.963 1.00 4.32 C ATOM 153 NH1 ARG A 10 -8.207 -3.700 -22.930 1.00 43.13 N1+ ATOM 154 NH2 ARG A 10 -6.794 -5.045 -24.137 1.00 41.04 N ATOM 0 H ARG A 10 -5.616 -9.235 -18.838 1.00 13.13 H new ATOM 0 HA ARG A 10 -5.181 -6.529 -19.754 1.00 21.41 H new ATOM 0 HB2 ARG A 10 -7.074 -7.823 -20.597 1.00 1.43 H new ATOM 0 HB3 ARG A 10 -7.692 -8.057 -18.974 1.00 1.43 H new ATOM 0 HG2 ARG A 10 -8.922 -6.292 -20.313 1.00 22.01 H new ATOM 0 HG3 ARG A 10 -8.326 -5.732 -18.763 1.00 22.01 H new ATOM 0 HD2 ARG A 10 -7.929 -4.030 -20.495 1.00 50.22 H new ATOM 0 HD3 ARG A 10 -6.404 -4.621 -19.865 1.00 50.22 H new ATOM 0 HE ARG A 10 -6.137 -5.972 -21.929 1.00 33.02 H new ATOM 0 HH11 ARG A 10 -8.584 -3.386 -22.036 1.00 43.13 H new ATOM 0 HH12 ARG A 10 -8.534 -3.277 -23.799 1.00 43.13 H new ATOM 0 HH21 ARG A 10 -6.079 -5.771 -24.177 1.00 41.04 H new ATOM 0 HH22 ARG A 10 -7.131 -4.612 -24.997 1.00 41.04 H new ATOM 168 N ARG A 11 -4.750 -5.519 -17.551 1.00 54.22 N ATOM 169 CA ARG A 11 -4.697 -4.466 -16.533 1.00 55.52 C ATOM 170 C ARG A 11 -4.925 -3.154 -17.286 1.00 15.23 C ATOM 171 O ARG A 11 -4.375 -2.971 -18.385 1.00 75.23 O ATOM 172 CB ARG A 11 -3.321 -4.463 -15.790 1.00 3.44 C ATOM 173 CG ARG A 11 -3.123 -5.594 -14.746 1.00 32.42 C ATOM 174 CD ARG A 11 -3.197 -7.029 -15.315 1.00 23.42 C ATOM 175 NE ARG A 11 -2.966 -8.046 -14.285 1.00 71.12 N ATOM 176 CZ ARG A 11 -3.839 -8.406 -13.338 1.00 31.10 C ATOM 177 NH1 ARG A 11 -5.046 -7.851 -13.244 1.00 13.54 N1+ ATOM 178 NH2 ARG A 11 -3.478 -9.319 -12.463 1.00 64.12 N ATOM 0 H ARG A 11 -3.928 -5.527 -18.154 1.00 54.22 H new ATOM 0 HA ARG A 11 -5.451 -4.619 -15.761 1.00 55.52 H new ATOM 0 HB2 ARG A 11 -2.527 -4.535 -16.533 1.00 3.44 H new ATOM 0 HB3 ARG A 11 -3.201 -3.503 -15.287 1.00 3.44 H new ATOM 0 HG2 ARG A 11 -2.154 -5.459 -14.266 1.00 32.42 H new ATOM 0 HG3 ARG A 11 -3.881 -5.488 -13.970 1.00 32.42 H new ATOM 0 HD2 ARG A 11 -4.176 -7.188 -15.767 1.00 23.42 H new ATOM 0 HD3 ARG A 11 -2.457 -7.142 -16.107 1.00 23.42 H new ATOM 0 HE ARG A 11 -2.063 -8.519 -14.291 1.00 71.12 H new ATOM 0 HH11 ARG A 11 -5.328 -7.128 -13.906 1.00 13.54 H new ATOM 0 HH12 ARG A 11 -5.688 -8.148 -12.510 1.00 13.54 H new ATOM 0 HH21 ARG A 11 -2.549 -9.737 -12.516 1.00 64.12 H new ATOM 0 HH22 ARG A 11 -4.127 -9.609 -11.732 1.00 64.12 H new ATOM 192 N HIS A 12 -5.745 -2.264 -16.728 1.00 0.11 N ATOM 193 CA HIS A 12 -6.202 -1.061 -17.451 1.00 45.45 C ATOM 194 C HIS A 12 -5.102 0.005 -17.511 1.00 71.10 C ATOM 195 O HIS A 12 -4.265 0.107 -16.602 1.00 50.40 O ATOM 196 CB HIS A 12 -7.490 -0.490 -16.813 1.00 53.54 C ATOM 197 CG HIS A 12 -8.581 -1.529 -16.674 1.00 63.30 C ATOM 198 ND1 HIS A 12 -8.912 -2.121 -15.473 1.00 55.01 N ATOM 199 CD2 HIS A 12 -9.384 -2.106 -17.597 1.00 40.21 C ATOM 200 CE1 HIS A 12 -9.864 -3.010 -15.665 1.00 70.31 C ATOM 201 NE2 HIS A 12 -10.167 -3.018 -16.947 1.00 70.02 N ATOM 0 H HIS A 12 -6.110 -2.346 -15.779 1.00 0.11 H new ATOM 0 HA HIS A 12 -6.432 -1.357 -18.474 1.00 45.45 H new ATOM 0 HB2 HIS A 12 -7.254 -0.083 -15.830 1.00 53.54 H new ATOM 0 HB3 HIS A 12 -7.856 0.337 -17.421 1.00 53.54 H new ATOM 0 HD2 HIS A 12 -9.403 -1.886 -18.654 1.00 40.21 H new ATOM 0 HE1 HIS A 12 -10.318 -3.626 -14.903 1.00 70.31 H new ATOM 0 HE2 HIS A 12 -10.873 -3.610 -17.384 1.00 70.02 H new ATOM 210 N THR A 13 -5.097 0.754 -18.625 1.00 14.24 N ATOM 211 CA THR A 13 -4.188 1.884 -18.847 1.00 43.30 C ATOM 212 C THR A 13 -4.516 3.027 -17.844 1.00 13.51 C ATOM 213 O THR A 13 -5.700 3.260 -17.571 1.00 53.01 O ATOM 214 CB THR A 13 -4.335 2.389 -20.328 1.00 32.21 C ATOM 215 OG1 THR A 13 -4.237 1.267 -21.227 1.00 41.24 O ATOM 216 CG2 THR A 13 -3.277 3.450 -20.719 1.00 42.54 C ATOM 0 H THR A 13 -5.733 0.588 -19.405 1.00 14.24 H new ATOM 0 HA THR A 13 -3.158 1.565 -18.684 1.00 43.30 H new ATOM 0 HB THR A 13 -5.311 2.868 -20.404 1.00 32.21 H new ATOM 0 HG1 THR A 13 -4.330 1.579 -22.151 1.00 41.24 H new ATOM 0 HG21 THR A 13 -3.434 3.757 -21.753 1.00 42.54 H new ATOM 0 HG22 THR A 13 -3.372 4.317 -20.065 1.00 42.54 H new ATOM 0 HG23 THR A 13 -2.279 3.024 -20.614 1.00 42.54 H new ATOM 224 N PRO A 14 -3.486 3.714 -17.241 1.00 62.13 N ATOM 225 CA PRO A 14 -3.694 4.889 -16.338 1.00 33.22 C ATOM 226 C PRO A 14 -4.627 5.978 -16.937 1.00 23.03 C ATOM 227 O PRO A 14 -4.170 6.912 -17.603 1.00 63.22 O ATOM 228 CB PRO A 14 -2.243 5.432 -16.125 1.00 42.54 C ATOM 229 CG PRO A 14 -1.386 4.715 -17.130 1.00 51.02 C ATOM 230 CD PRO A 14 -2.043 3.372 -17.317 1.00 35.44 C ATOM 0 HA PRO A 14 -4.199 4.605 -15.415 1.00 33.22 H new ATOM 0 HB2 PRO A 14 -2.203 6.511 -16.276 1.00 42.54 H new ATOM 0 HB3 PRO A 14 -1.899 5.239 -15.109 1.00 42.54 H new ATOM 0 HG2 PRO A 14 -1.337 5.264 -18.070 1.00 51.02 H new ATOM 0 HG3 PRO A 14 -0.363 4.607 -16.770 1.00 51.02 H new ATOM 0 HD2 PRO A 14 -1.782 2.921 -18.274 1.00 35.44 H new ATOM 0 HD3 PRO A 14 -1.751 2.665 -16.541 1.00 35.44 H new ATOM 238 N GLU A 15 -5.942 5.827 -16.699 1.00 64.33 N ATOM 239 CA GLU A 15 -6.973 6.761 -17.185 1.00 63.20 C ATOM 240 C GLU A 15 -7.631 7.483 -15.993 1.00 15.13 C ATOM 241 O GLU A 15 -7.276 8.628 -15.679 1.00 10.33 O ATOM 242 CB GLU A 15 -8.034 5.995 -18.032 1.00 2.42 C ATOM 243 CG GLU A 15 -9.148 6.888 -18.635 1.00 65.32 C ATOM 244 CD GLU A 15 -10.309 6.084 -19.241 1.00 11.30 C ATOM 245 OE1 GLU A 15 -10.271 5.757 -20.452 1.00 3.41 O ATOM 246 OE2 GLU A 15 -11.264 5.757 -18.494 1.00 0.14 O1- ATOM 0 H GLU A 15 -6.322 5.048 -16.160 1.00 64.33 H new ATOM 0 HA GLU A 15 -6.507 7.511 -17.824 1.00 63.20 H new ATOM 0 HB2 GLU A 15 -7.525 5.475 -18.843 1.00 2.42 H new ATOM 0 HB3 GLU A 15 -8.497 5.232 -17.406 1.00 2.42 H new ATOM 0 HG2 GLU A 15 -9.537 7.546 -17.858 1.00 65.32 H new ATOM 0 HG3 GLU A 15 -8.716 7.526 -19.406 1.00 65.32 H new ATOM 253 N ALA A 16 -8.555 6.788 -15.297 1.00 22.30 N ATOM 254 CA ALA A 16 -9.381 7.387 -14.234 1.00 42.55 C ATOM 255 C ALA A 16 -8.905 6.912 -12.853 1.00 52.31 C ATOM 256 O ALA A 16 -8.148 7.622 -12.178 1.00 13.01 O ATOM 257 CB ALA A 16 -10.874 7.068 -14.480 1.00 51.43 C ATOM 0 H ALA A 16 -8.747 5.799 -15.457 1.00 22.30 H new ATOM 0 HA ALA A 16 -9.269 8.471 -14.256 1.00 42.55 H new ATOM 0 HB1 ALA A 16 -11.477 7.515 -13.689 1.00 51.43 H new ATOM 0 HB2 ALA A 16 -11.179 7.476 -15.443 1.00 51.43 H new ATOM 0 HB3 ALA A 16 -11.020 5.988 -14.481 1.00 51.43 H new ATOM 263 N GLU A 17 -9.311 5.689 -12.464 1.00 41.15 N ATOM 264 CA GLU A 17 -9.000 5.127 -11.134 1.00 5.51 C ATOM 265 C GLU A 17 -9.249 3.596 -11.143 1.00 0.03 C ATOM 266 O GLU A 17 -9.458 3.006 -12.213 1.00 14.14 O ATOM 267 CB GLU A 17 -9.839 5.866 -10.022 1.00 23.03 C ATOM 268 CG GLU A 17 -9.158 5.942 -8.631 1.00 12.31 C ATOM 269 CD GLU A 17 -9.998 6.662 -7.559 1.00 71.32 C ATOM 270 OE1 GLU A 17 -10.656 5.980 -6.739 1.00 74.35 O ATOM 271 OE2 GLU A 17 -10.010 7.912 -7.541 1.00 75.54 O1- ATOM 0 H GLU A 17 -9.860 5.066 -13.057 1.00 41.15 H new ATOM 0 HA GLU A 17 -7.948 5.288 -10.900 1.00 5.51 H new ATOM 0 HB2 GLU A 17 -10.052 6.880 -10.362 1.00 23.03 H new ATOM 0 HB3 GLU A 17 -10.798 5.358 -9.914 1.00 23.03 H new ATOM 0 HG2 GLU A 17 -8.941 4.930 -8.289 1.00 12.31 H new ATOM 0 HG3 GLU A 17 -8.202 6.455 -8.734 1.00 12.31 H new ATOM 278 N ASN A 18 -9.229 2.981 -9.938 1.00 41.43 N ATOM 279 CA ASN A 18 -9.334 1.511 -9.731 1.00 21.42 C ATOM 280 C ASN A 18 -10.684 0.960 -10.248 1.00 21.22 C ATOM 281 O ASN A 18 -11.702 1.654 -10.132 1.00 12.53 O ATOM 282 CB ASN A 18 -9.174 1.187 -8.209 1.00 14.31 C ATOM 283 CG ASN A 18 -8.010 1.931 -7.550 1.00 44.14 C ATOM 284 OD1 ASN A 18 -7.059 2.339 -8.212 1.00 62.35 O ATOM 285 ND2 ASN A 18 -8.073 2.109 -6.245 1.00 75.23 N ATOM 0 H ASN A 18 -9.138 3.499 -9.064 1.00 41.43 H new ATOM 0 HA ASN A 18 -8.539 1.029 -10.299 1.00 21.42 H new ATOM 0 HB2 ASN A 18 -10.099 1.442 -7.691 1.00 14.31 H new ATOM 0 HB3 ASN A 18 -9.026 0.114 -8.087 1.00 14.31 H new ATOM 0 HD21 ASN A 18 -7.320 2.596 -5.760 1.00 75.23 H new ATOM 0 HD22 ASN A 18 -8.875 1.759 -5.721 1.00 75.23 H new ATOM 292 N PRO A 19 -10.728 -0.301 -10.809 1.00 2.55 N ATOM 293 CA PRO A 19 -11.979 -0.890 -11.350 1.00 60.43 C ATOM 294 C PRO A 19 -13.014 -1.113 -10.223 1.00 3.11 C ATOM 295 O PRO A 19 -14.149 -0.635 -10.310 1.00 4.23 O ATOM 296 CB PRO A 19 -11.517 -2.225 -12.013 1.00 50.32 C ATOM 297 CG PRO A 19 -10.016 -2.144 -12.077 1.00 52.41 C ATOM 298 CD PRO A 19 -9.592 -1.250 -10.934 1.00 3.54 C ATOM 0 HA PRO A 19 -12.483 -0.243 -12.068 1.00 60.43 H new ATOM 0 HB2 PRO A 19 -11.839 -3.086 -11.427 1.00 50.32 H new ATOM 0 HB3 PRO A 19 -11.947 -2.338 -13.008 1.00 50.32 H new ATOM 0 HG2 PRO A 19 -9.569 -3.134 -11.984 1.00 52.41 H new ATOM 0 HG3 PRO A 19 -9.689 -1.735 -13.033 1.00 52.41 H new ATOM 0 HD2 PRO A 19 -9.437 -1.816 -10.016 1.00 3.54 H new ATOM 0 HD3 PRO A 19 -8.657 -0.733 -11.152 1.00 3.54 H new ATOM 306 N ALA A 20 -12.574 -1.835 -9.171 1.00 23.44 N ATOM 307 CA ALA A 20 -13.300 -1.985 -7.898 1.00 32.24 C ATOM 308 C ALA A 20 -12.389 -2.705 -6.888 1.00 24.54 C ATOM 309 O ALA A 20 -11.753 -2.064 -6.043 1.00 31.11 O ATOM 310 CB ALA A 20 -14.651 -2.725 -8.071 1.00 30.20 C ATOM 0 H ALA A 20 -11.687 -2.338 -9.186 1.00 23.44 H new ATOM 0 HA ALA A 20 -13.551 -0.993 -7.522 1.00 32.24 H new ATOM 0 HB1 ALA A 20 -15.146 -2.809 -7.104 1.00 30.20 H new ATOM 0 HB2 ALA A 20 -15.287 -2.165 -8.757 1.00 30.20 H new ATOM 0 HB3 ALA A 20 -14.471 -3.721 -8.475 1.00 30.20 H new ATOM 316 N GLU A 21 -12.279 -4.044 -7.026 1.00 71.04 N ATOM 317 CA GLU A 21 -11.525 -4.894 -6.085 1.00 42.43 C ATOM 318 C GLU A 21 -10.826 -6.093 -6.780 1.00 33.21 C ATOM 319 O GLU A 21 -9.880 -6.654 -6.229 1.00 34.25 O ATOM 320 CB GLU A 21 -12.471 -5.375 -4.927 1.00 70.10 C ATOM 321 CG GLU A 21 -13.932 -5.741 -5.313 1.00 53.42 C ATOM 322 CD GLU A 21 -14.050 -6.824 -6.397 1.00 53.03 C ATOM 323 OE1 GLU A 21 -14.272 -6.483 -7.582 1.00 0.41 O ATOM 324 OE2 GLU A 21 -13.882 -8.020 -6.070 1.00 65.45 O1- ATOM 0 H GLU A 21 -12.710 -4.563 -7.791 1.00 71.04 H new ATOM 0 HA GLU A 21 -10.724 -4.287 -5.664 1.00 42.43 H new ATOM 0 HB2 GLU A 21 -12.016 -6.248 -4.459 1.00 70.10 H new ATOM 0 HB3 GLU A 21 -12.507 -4.590 -4.171 1.00 70.10 H new ATOM 0 HG2 GLU A 21 -14.457 -6.080 -4.420 1.00 53.42 H new ATOM 0 HG3 GLU A 21 -14.440 -4.841 -5.659 1.00 53.42 H new ATOM 331 N ALA A 22 -11.306 -6.478 -7.977 1.00 40.12 N ATOM 332 CA ALA A 22 -10.838 -7.683 -8.714 1.00 60.20 C ATOM 333 C ALA A 22 -9.354 -7.606 -9.136 1.00 71.35 C ATOM 334 O ALA A 22 -8.723 -8.636 -9.399 1.00 20.20 O ATOM 335 CB ALA A 22 -11.744 -7.921 -9.935 1.00 41.34 C ATOM 0 H ALA A 22 -12.035 -5.963 -8.470 1.00 40.12 H new ATOM 0 HA ALA A 22 -10.907 -8.528 -8.029 1.00 60.20 H new ATOM 0 HB1 ALA A 22 -11.402 -8.804 -10.475 1.00 41.34 H new ATOM 0 HB2 ALA A 22 -12.770 -8.075 -9.602 1.00 41.34 H new ATOM 0 HB3 ALA A 22 -11.702 -7.053 -10.594 1.00 41.34 H new ATOM 341 N ASP A 23 -8.808 -6.382 -9.179 1.00 72.01 N ATOM 342 CA ASP A 23 -7.402 -6.119 -9.548 1.00 31.21 C ATOM 343 C ASP A 23 -6.536 -5.911 -8.260 1.00 15.11 C ATOM 344 O ASP A 23 -5.444 -5.360 -8.316 1.00 51.35 O ATOM 345 CB ASP A 23 -7.380 -4.881 -10.506 1.00 43.22 C ATOM 346 CG ASP A 23 -6.001 -4.584 -11.140 1.00 41.14 C ATOM 347 OD1 ASP A 23 -5.633 -5.235 -12.141 1.00 20.40 O ATOM 348 OD2 ASP A 23 -5.284 -3.694 -10.639 1.00 62.31 O1- ATOM 0 H ASP A 23 -9.332 -5.536 -8.957 1.00 72.01 H new ATOM 0 HA ASP A 23 -6.964 -6.968 -10.072 1.00 31.21 H new ATOM 0 HB2 ASP A 23 -8.105 -5.042 -11.304 1.00 43.22 H new ATOM 0 HB3 ASP A 23 -7.707 -4.002 -9.951 1.00 43.22 H new ATOM 353 N LEU A 24 -7.035 -6.404 -7.098 1.00 70.13 N ATOM 354 CA LEU A 24 -6.349 -6.283 -5.773 1.00 15.42 C ATOM 355 C LEU A 24 -4.906 -6.875 -5.845 1.00 54.23 C ATOM 356 O LEU A 24 -4.738 -7.987 -6.364 1.00 53.50 O ATOM 357 CB LEU A 24 -7.188 -7.027 -4.683 1.00 23.13 C ATOM 358 CG LEU A 24 -6.756 -6.819 -3.192 1.00 54.24 C ATOM 359 CD1 LEU A 24 -7.003 -5.370 -2.718 1.00 23.24 C ATOM 360 CD2 LEU A 24 -7.438 -7.842 -2.256 1.00 25.41 C ATOM 0 H LEU A 24 -7.926 -6.899 -7.047 1.00 70.13 H new ATOM 0 HA LEU A 24 -6.269 -5.228 -5.509 1.00 15.42 H new ATOM 0 HB2 LEU A 24 -8.227 -6.713 -4.782 1.00 23.13 H new ATOM 0 HB3 LEU A 24 -7.155 -8.095 -4.900 1.00 23.13 H new ATOM 0 HG LEU A 24 -5.681 -6.995 -3.144 1.00 54.24 H new ATOM 0 HD11 LEU A 24 -6.690 -5.269 -1.679 1.00 23.24 H new ATOM 0 HD12 LEU A 24 -6.430 -4.681 -3.339 1.00 23.24 H new ATOM 0 HD13 LEU A 24 -8.064 -5.136 -2.802 1.00 23.24 H new ATOM 0 HD21 LEU A 24 -7.115 -7.668 -1.230 1.00 25.41 H new ATOM 0 HD22 LEU A 24 -8.520 -7.729 -2.320 1.00 25.41 H new ATOM 0 HD23 LEU A 24 -7.161 -8.852 -2.557 1.00 25.41 H new ATOM 372 N PRO A 25 -3.854 -6.136 -5.345 1.00 3.20 N ATOM 373 CA PRO A 25 -2.424 -6.529 -5.517 1.00 15.23 C ATOM 374 C PRO A 25 -2.088 -7.922 -4.945 1.00 10.44 C ATOM 375 O PRO A 25 -2.557 -8.288 -3.869 1.00 65.24 O ATOM 376 CB PRO A 25 -1.652 -5.415 -4.767 1.00 54.21 C ATOM 377 CG PRO A 25 -2.597 -4.258 -4.730 1.00 73.12 C ATOM 378 CD PRO A 25 -3.961 -4.868 -4.571 1.00 44.30 C ATOM 0 HA PRO A 25 -2.161 -6.615 -6.571 1.00 15.23 H new ATOM 0 HB2 PRO A 25 -1.375 -5.733 -3.762 1.00 54.21 H new ATOM 0 HB3 PRO A 25 -0.729 -5.156 -5.285 1.00 54.21 H new ATOM 0 HG2 PRO A 25 -2.367 -3.588 -3.902 1.00 73.12 H new ATOM 0 HG3 PRO A 25 -2.534 -3.668 -5.645 1.00 73.12 H new ATOM 0 HD2 PRO A 25 -4.200 -5.053 -3.524 1.00 44.30 H new ATOM 0 HD3 PRO A 25 -4.742 -4.219 -4.966 1.00 44.30 H new ATOM 386 N GLN A 26 -1.242 -8.666 -5.679 1.00 23.25 N ATOM 387 CA GLN A 26 -0.846 -10.048 -5.345 1.00 65.11 C ATOM 388 C GLN A 26 0.687 -10.125 -5.282 1.00 1.14 C ATOM 389 O GLN A 26 1.368 -9.812 -6.268 1.00 24.32 O ATOM 390 CB GLN A 26 -1.380 -11.058 -6.409 1.00 40.32 C ATOM 391 CG GLN A 26 -2.916 -11.181 -6.492 1.00 4.01 C ATOM 392 CD GLN A 26 -3.412 -12.300 -7.423 1.00 1.43 C ATOM 393 OE1 GLN A 26 -4.463 -12.901 -7.191 1.00 43.54 O ATOM 394 NE2 GLN A 26 -2.688 -12.577 -8.507 1.00 74.32 N ATOM 0 H GLN A 26 -0.807 -8.320 -6.534 1.00 23.25 H new ATOM 0 HA GLN A 26 -1.277 -10.314 -4.380 1.00 65.11 H new ATOM 0 HB2 GLN A 26 -1.003 -10.762 -7.388 1.00 40.32 H new ATOM 0 HB3 GLN A 26 -0.965 -12.042 -6.192 1.00 40.32 H new ATOM 0 HG2 GLN A 26 -3.309 -11.356 -5.491 1.00 4.01 H new ATOM 0 HG3 GLN A 26 -3.327 -10.231 -6.834 1.00 4.01 H new ATOM 0 HE21 GLN A 26 -1.821 -12.070 -8.684 1.00 74.32 H new ATOM 0 HE22 GLN A 26 -3.001 -13.296 -9.160 1.00 74.32 H new ATOM 403 N GLY A 27 1.211 -10.529 -4.125 1.00 31.41 N ATOM 404 CA GLY A 27 2.646 -10.669 -3.908 1.00 21.34 C ATOM 405 C GLY A 27 3.030 -10.177 -2.529 1.00 51.41 C ATOM 406 O GLY A 27 2.234 -9.475 -1.886 1.00 3.13 O ATOM 0 H GLY A 27 0.647 -10.769 -3.310 1.00 31.41 H new ATOM 0 HA2 GLY A 27 2.935 -11.714 -4.020 1.00 21.34 H new ATOM 0 HA3 GLY A 27 3.190 -10.104 -4.665 1.00 21.34 H new ATOM 410 N ASP A 28 4.256 -10.520 -2.091 1.00 13.12 N ATOM 411 CA ASP A 28 4.755 -10.212 -0.731 1.00 41.31 C ATOM 412 C ASP A 28 4.764 -8.702 -0.485 1.00 24.25 C ATOM 413 O ASP A 28 4.191 -8.219 0.504 1.00 13.01 O ATOM 414 CB ASP A 28 6.173 -10.809 -0.503 1.00 22.33 C ATOM 415 CG ASP A 28 6.180 -12.348 -0.506 1.00 52.42 C ATOM 416 OD1 ASP A 28 6.206 -12.951 -1.597 1.00 1.20 O ATOM 417 OD2 ASP A 28 6.131 -12.965 0.583 1.00 45.23 O1- ATOM 0 H ASP A 28 4.932 -11.019 -2.669 1.00 13.12 H new ATOM 0 HA ASP A 28 4.075 -10.675 -0.016 1.00 41.31 H new ATOM 0 HB2 ASP A 28 6.844 -10.446 -1.281 1.00 22.33 H new ATOM 0 HB3 ASP A 28 6.564 -10.450 0.449 1.00 22.33 H new ATOM 422 N ILE A 29 5.391 -7.953 -1.414 1.00 45.12 N ATOM 423 CA ILE A 29 5.519 -6.499 -1.275 1.00 72.23 C ATOM 424 C ILE A 29 4.229 -5.775 -1.728 1.00 33.44 C ATOM 425 O ILE A 29 3.837 -4.811 -1.091 1.00 40.41 O ATOM 426 CB ILE A 29 6.762 -5.894 -2.041 1.00 73.14 C ATOM 427 CG1 ILE A 29 6.945 -4.384 -1.650 1.00 61.55 C ATOM 428 CG2 ILE A 29 6.656 -6.081 -3.573 1.00 44.52 C ATOM 429 CD1 ILE A 29 7.954 -3.605 -2.465 1.00 22.02 C ATOM 0 H ILE A 29 5.812 -8.333 -2.261 1.00 45.12 H new ATOM 0 HA ILE A 29 5.683 -6.327 -0.211 1.00 72.23 H new ATOM 0 HB ILE A 29 7.650 -6.445 -1.732 1.00 73.14 H new ATOM 0 HG12 ILE A 29 5.978 -3.888 -1.735 1.00 61.55 H new ATOM 0 HG13 ILE A 29 7.238 -4.334 -0.601 1.00 61.55 H new ATOM 0 HG21 ILE A 29 7.534 -5.649 -4.054 1.00 44.52 H new ATOM 0 HG22 ILE A 29 6.601 -7.144 -3.807 1.00 44.52 H new ATOM 0 HG23 ILE A 29 5.759 -5.582 -3.939 1.00 44.52 H new ATOM 0 HD11 ILE A 29 7.995 -2.577 -2.106 1.00 22.02 H new ATOM 0 HD12 ILE A 29 8.937 -4.065 -2.363 1.00 22.02 H new ATOM 0 HD13 ILE A 29 7.658 -3.612 -3.514 1.00 22.02 H new ATOM 441 N GLU A 30 3.558 -6.289 -2.790 1.00 34.21 N ATOM 442 CA GLU A 30 2.439 -5.590 -3.466 1.00 13.43 C ATOM 443 C GLU A 30 1.284 -5.303 -2.495 1.00 61.33 C ATOM 444 O GLU A 30 0.671 -4.233 -2.533 1.00 22.24 O ATOM 445 CB GLU A 30 1.910 -6.411 -4.688 1.00 74.55 C ATOM 446 CG GLU A 30 2.822 -6.438 -5.948 1.00 75.30 C ATOM 447 CD GLU A 30 3.969 -7.475 -5.947 1.00 21.25 C ATOM 448 OE1 GLU A 30 4.523 -7.727 -7.018 1.00 53.31 O ATOM 449 OE2 GLU A 30 4.324 -8.047 -4.911 1.00 11.23 O1- ATOM 0 H GLU A 30 3.778 -7.197 -3.199 1.00 34.21 H new ATOM 0 HA GLU A 30 2.833 -4.640 -3.826 1.00 13.43 H new ATOM 0 HB2 GLU A 30 1.744 -7.438 -4.364 1.00 74.55 H new ATOM 0 HB3 GLU A 30 0.940 -6.007 -4.977 1.00 74.55 H new ATOM 0 HG2 GLU A 30 2.194 -6.624 -6.820 1.00 75.30 H new ATOM 0 HG3 GLU A 30 3.258 -5.447 -6.075 1.00 75.30 H new ATOM 456 N LYS A 31 1.016 -6.279 -1.620 1.00 42.42 N ATOM 457 CA LYS A 31 -0.053 -6.187 -0.619 1.00 20.43 C ATOM 458 C LYS A 31 0.310 -5.181 0.498 1.00 72.31 C ATOM 459 O LYS A 31 -0.578 -4.542 1.072 1.00 64.23 O ATOM 460 CB LYS A 31 -0.351 -7.593 -0.038 1.00 51.54 C ATOM 461 CG LYS A 31 0.817 -8.249 0.740 1.00 73.43 C ATOM 462 CD LYS A 31 0.511 -9.711 1.150 1.00 15.44 C ATOM 463 CE LYS A 31 -0.755 -9.833 2.014 1.00 1.21 C ATOM 464 NZ LYS A 31 -1.064 -11.247 2.361 1.00 24.03 N1+ ATOM 0 H LYS A 31 1.535 -7.156 -1.586 1.00 42.42 H new ATOM 0 HA LYS A 31 -0.955 -5.814 -1.104 1.00 20.43 H new ATOM 0 HB2 LYS A 31 -1.212 -7.518 0.626 1.00 51.54 H new ATOM 0 HB3 LYS A 31 -0.637 -8.253 -0.857 1.00 51.54 H new ATOM 0 HG2 LYS A 31 1.716 -8.229 0.124 1.00 73.43 H new ATOM 0 HG3 LYS A 31 1.029 -7.662 1.633 1.00 73.43 H new ATOM 0 HD2 LYS A 31 0.393 -10.318 0.253 1.00 15.44 H new ATOM 0 HD3 LYS A 31 1.361 -10.115 1.699 1.00 15.44 H new ATOM 0 HE2 LYS A 31 -0.625 -9.256 2.930 1.00 1.21 H new ATOM 0 HE3 LYS A 31 -1.600 -9.398 1.481 1.00 1.21 H new ATOM 0 HZ1 LYS A 31 -1.925 -11.281 2.944 1.00 24.03 H new ATOM 0 HZ2 LYS A 31 -1.214 -11.794 1.489 1.00 24.03 H new ATOM 0 HZ3 LYS A 31 -0.269 -11.655 2.893 1.00 24.03 H new ATOM 478 N GLN A 32 1.624 -5.043 0.799 1.00 51.34 N ATOM 479 CA GLN A 32 2.124 -4.080 1.805 1.00 62.33 C ATOM 480 C GLN A 32 2.116 -2.649 1.239 1.00 21.14 C ATOM 481 O GLN A 32 1.785 -1.703 1.950 1.00 14.51 O ATOM 482 CB GLN A 32 3.549 -4.468 2.281 1.00 61.30 C ATOM 483 CG GLN A 32 4.105 -3.556 3.398 1.00 31.30 C ATOM 484 CD GLN A 32 5.514 -3.913 3.876 1.00 61.40 C ATOM 485 OE1 GLN A 32 5.842 -3.741 5.053 1.00 73.41 O ATOM 486 NE2 GLN A 32 6.377 -4.364 2.972 1.00 35.14 N ATOM 0 H GLN A 32 2.360 -5.592 0.354 1.00 51.34 H new ATOM 0 HA GLN A 32 1.456 -4.114 2.666 1.00 62.33 H new ATOM 0 HB2 GLN A 32 3.534 -5.497 2.639 1.00 61.30 H new ATOM 0 HB3 GLN A 32 4.227 -4.437 1.428 1.00 61.30 H new ATOM 0 HG2 GLN A 32 4.108 -2.527 3.039 1.00 31.30 H new ATOM 0 HG3 GLN A 32 3.427 -3.594 4.250 1.00 31.30 H new ATOM 0 HE21 GLN A 32 6.080 -4.497 2.005 1.00 35.14 H new ATOM 0 HE22 GLN A 32 7.337 -4.577 3.245 1.00 35.14 H new ATOM 495 N VAL A 33 2.479 -2.520 -0.056 1.00 55.22 N ATOM 496 CA VAL A 33 2.403 -1.247 -0.799 1.00 63.40 C ATOM 497 C VAL A 33 0.931 -0.801 -0.882 1.00 62.45 C ATOM 498 O VAL A 33 0.630 0.372 -0.723 1.00 21.44 O ATOM 499 CB VAL A 33 3.031 -1.372 -2.248 1.00 20.12 C ATOM 500 CG1 VAL A 33 2.931 -0.056 -3.051 1.00 14.22 C ATOM 501 CG2 VAL A 33 4.500 -1.827 -2.181 1.00 32.25 C ATOM 0 H VAL A 33 2.833 -3.297 -0.614 1.00 55.22 H new ATOM 0 HA VAL A 33 2.987 -0.498 -0.264 1.00 63.40 H new ATOM 0 HB VAL A 33 2.444 -2.128 -2.770 1.00 20.12 H new ATOM 0 HG11 VAL A 33 3.376 -0.196 -4.036 1.00 14.22 H new ATOM 0 HG12 VAL A 33 1.883 0.224 -3.162 1.00 14.22 H new ATOM 0 HG13 VAL A 33 3.463 0.734 -2.522 1.00 14.22 H new ATOM 0 HG21 VAL A 33 4.904 -1.904 -3.191 1.00 32.25 H new ATOM 0 HG22 VAL A 33 5.080 -1.100 -1.612 1.00 32.25 H new ATOM 0 HG23 VAL A 33 4.558 -2.800 -1.692 1.00 32.25 H new ATOM 511 N ALA A 34 0.024 -1.784 -1.071 1.00 42.41 N ATOM 512 CA ALA A 34 -1.428 -1.556 -1.068 1.00 41.32 C ATOM 513 C ALA A 34 -1.887 -0.973 0.270 1.00 23.24 C ATOM 514 O ALA A 34 -2.628 0.007 0.300 1.00 71.30 O ATOM 515 CB ALA A 34 -2.183 -2.854 -1.375 1.00 32.45 C ATOM 0 H ALA A 34 0.284 -2.758 -1.230 1.00 42.41 H new ATOM 0 HA ALA A 34 -1.655 -0.833 -1.851 1.00 41.32 H new ATOM 0 HB1 ALA A 34 -3.256 -2.661 -1.367 1.00 32.45 H new ATOM 0 HB2 ALA A 34 -1.887 -3.223 -2.357 1.00 32.45 H new ATOM 0 HB3 ALA A 34 -1.943 -3.602 -0.619 1.00 32.45 H new ATOM 521 N ALA A 35 -1.395 -1.577 1.369 1.00 65.11 N ATOM 522 CA ALA A 35 -1.677 -1.123 2.734 1.00 53.42 C ATOM 523 C ALA A 35 -1.191 0.324 2.938 1.00 23.11 C ATOM 524 O ALA A 35 -1.954 1.173 3.393 1.00 22.43 O ATOM 525 CB ALA A 35 -1.019 -2.068 3.750 1.00 13.22 C ATOM 0 H ALA A 35 -0.789 -2.396 1.329 1.00 65.11 H new ATOM 0 HA ALA A 35 -2.755 -1.140 2.892 1.00 53.42 H new ATOM 0 HB1 ALA A 35 -1.234 -1.722 4.761 1.00 13.22 H new ATOM 0 HB2 ALA A 35 -1.414 -3.075 3.619 1.00 13.22 H new ATOM 0 HB3 ALA A 35 0.059 -2.078 3.592 1.00 13.22 H new ATOM 531 N LEU A 36 0.066 0.589 2.520 1.00 15.54 N ATOM 532 CA LEU A 36 0.732 1.893 2.700 1.00 31.03 C ATOM 533 C LEU A 36 0.064 2.997 1.855 1.00 71.02 C ATOM 534 O LEU A 36 -0.018 4.133 2.291 1.00 43.20 O ATOM 535 CB LEU A 36 2.253 1.782 2.375 1.00 61.34 C ATOM 536 CG LEU A 36 3.102 0.893 3.347 1.00 63.04 C ATOM 537 CD1 LEU A 36 4.579 0.808 2.900 1.00 33.13 C ATOM 538 CD2 LEU A 36 2.993 1.392 4.805 1.00 1.31 C ATOM 0 H LEU A 36 0.648 -0.101 2.046 1.00 15.54 H new ATOM 0 HA LEU A 36 0.624 2.178 3.746 1.00 31.03 H new ATOM 0 HB2 LEU A 36 2.360 1.385 1.365 1.00 61.34 H new ATOM 0 HB3 LEU A 36 2.677 2.786 2.370 1.00 61.34 H new ATOM 0 HG LEU A 36 2.688 -0.114 3.306 1.00 63.04 H new ATOM 0 HD11 LEU A 36 5.135 0.183 3.599 1.00 33.13 H new ATOM 0 HD12 LEU A 36 4.633 0.373 1.902 1.00 33.13 H new ATOM 0 HD13 LEU A 36 5.012 1.808 2.883 1.00 33.13 H new ATOM 0 HD21 LEU A 36 3.593 0.754 5.454 1.00 1.31 H new ATOM 0 HD22 LEU A 36 3.357 2.418 4.867 1.00 1.31 H new ATOM 0 HD23 LEU A 36 1.952 1.357 5.125 1.00 1.31 H new ATOM 550 N TRP A 37 -0.433 2.650 0.657 1.00 54.24 N ATOM 551 CA TRP A 37 -1.175 3.605 -0.205 1.00 63.41 C ATOM 552 C TRP A 37 -2.563 3.893 0.393 1.00 52.10 C ATOM 553 O TRP A 37 -3.086 4.997 0.263 1.00 22.01 O ATOM 554 CB TRP A 37 -1.307 3.070 -1.658 1.00 51.25 C ATOM 555 CG TRP A 37 -0.026 3.089 -2.470 1.00 1.21 C ATOM 556 CD1 TRP A 37 1.254 3.005 -2.012 1.00 55.02 C ATOM 557 CD2 TRP A 37 0.081 3.188 -3.893 1.00 50.52 C ATOM 558 NE1 TRP A 37 2.136 3.040 -3.056 1.00 24.54 N ATOM 559 CE2 TRP A 37 1.447 3.148 -4.217 1.00 12.12 C ATOM 560 CE3 TRP A 37 -0.842 3.303 -4.920 1.00 72.34 C ATOM 561 CZ2 TRP A 37 1.912 3.216 -5.523 1.00 41.23 C ATOM 562 CZ3 TRP A 37 -0.382 3.373 -6.215 1.00 70.12 C ATOM 563 CH2 TRP A 37 0.983 3.328 -6.510 1.00 52.25 C ATOM 0 H TRP A 37 -0.338 1.717 0.257 1.00 54.24 H new ATOM 0 HA TRP A 37 -0.608 4.535 -0.245 1.00 63.41 H new ATOM 0 HB2 TRP A 37 -1.679 2.046 -1.619 1.00 51.25 H new ATOM 0 HB3 TRP A 37 -2.058 3.663 -2.180 1.00 51.25 H new ATOM 0 HD1 TRP A 37 1.533 2.922 -0.972 1.00 55.02 H new ATOM 0 HE1 TRP A 37 3.152 2.992 -2.974 1.00 24.54 H new ATOM 0 HE3 TRP A 37 -1.901 3.337 -4.708 1.00 72.34 H new ATOM 0 HZ2 TRP A 37 2.968 3.181 -5.746 1.00 41.23 H new ATOM 0 HZ3 TRP A 37 -1.093 3.465 -7.023 1.00 70.12 H new ATOM 0 HH2 TRP A 37 1.306 3.383 -7.539 1.00 52.25 H new ATOM 574 N GLN A 38 -3.149 2.890 1.063 1.00 2.33 N ATOM 575 CA GLN A 38 -4.448 3.041 1.745 1.00 0.45 C ATOM 576 C GLN A 38 -4.314 3.837 3.055 1.00 42.50 C ATOM 577 O GLN A 38 -5.289 4.440 3.501 1.00 54.34 O ATOM 578 CB GLN A 38 -5.122 1.660 1.958 1.00 34.22 C ATOM 579 CG GLN A 38 -5.582 1.011 0.632 1.00 0.11 C ATOM 580 CD GLN A 38 -6.253 -0.358 0.764 1.00 4.21 C ATOM 581 OE1 GLN A 38 -6.910 -0.656 1.764 1.00 30.10 O ATOM 582 NE2 GLN A 38 -6.110 -1.196 -0.267 1.00 60.33 N ATOM 0 H GLN A 38 -2.742 1.958 1.149 1.00 2.33 H new ATOM 0 HA GLN A 38 -5.103 3.625 1.099 1.00 0.45 H new ATOM 0 HB2 GLN A 38 -4.423 0.992 2.461 1.00 34.22 H new ATOM 0 HB3 GLN A 38 -5.982 1.777 2.618 1.00 34.22 H new ATOM 0 HG2 GLN A 38 -6.277 1.690 0.138 1.00 0.11 H new ATOM 0 HG3 GLN A 38 -4.716 0.910 -0.022 1.00 0.11 H new ATOM 0 HE21 GLN A 38 -5.559 -0.917 -1.079 1.00 60.33 H new ATOM 0 HE22 GLN A 38 -6.552 -2.115 -0.242 1.00 60.33 H new ATOM 591 N GLN A 39 -3.095 3.857 3.651 1.00 42.33 N ATOM 592 CA GLN A 39 -2.814 4.656 4.864 1.00 41.25 C ATOM 593 C GLN A 39 -2.425 6.102 4.476 1.00 20.24 C ATOM 594 O GLN A 39 -3.164 7.043 4.772 1.00 61.30 O ATOM 595 CB GLN A 39 -1.690 4.004 5.727 1.00 0.45 C ATOM 596 CG GLN A 39 -1.963 2.560 6.213 1.00 74.12 C ATOM 597 CD GLN A 39 -3.332 2.353 6.873 1.00 64.34 C ATOM 598 OE1 GLN A 39 -3.496 2.533 8.083 1.00 21.00 O ATOM 599 NE2 GLN A 39 -4.318 1.934 6.091 1.00 41.43 N ATOM 0 H GLN A 39 -2.293 3.328 3.309 1.00 42.33 H new ATOM 0 HA GLN A 39 -3.723 4.683 5.465 1.00 41.25 H new ATOM 0 HB2 GLN A 39 -0.767 4.003 5.147 1.00 0.45 H new ATOM 0 HB3 GLN A 39 -1.517 4.634 6.600 1.00 0.45 H new ATOM 0 HG2 GLN A 39 -1.879 1.883 5.363 1.00 74.12 H new ATOM 0 HG3 GLN A 39 -1.186 2.277 6.923 1.00 74.12 H new ATOM 0 HE21 GLN A 39 -4.154 1.794 5.094 1.00 41.43 H new ATOM 0 HE22 GLN A 39 -5.240 1.752 6.487 1.00 41.43 H new ATOM 608 N LEU A 40 -1.287 6.237 3.757 1.00 3.11 N ATOM 609 CA LEU A 40 -0.686 7.531 3.342 1.00 53.24 C ATOM 610 C LEU A 40 -1.681 8.426 2.568 1.00 52.00 C ATOM 611 O LEU A 40 -1.870 9.600 2.917 1.00 33.43 O ATOM 612 CB LEU A 40 0.592 7.265 2.481 1.00 74.24 C ATOM 613 CG LEU A 40 1.940 7.003 3.248 1.00 21.41 C ATOM 614 CD1 LEU A 40 2.410 8.262 4.017 1.00 42.35 C ATOM 615 CD2 LEU A 40 1.876 5.765 4.184 1.00 42.14 C ATOM 0 H LEU A 40 -0.747 5.432 3.441 1.00 3.11 H new ATOM 0 HA LEU A 40 -0.415 8.073 4.248 1.00 53.24 H new ATOM 0 HB2 LEU A 40 0.395 6.404 1.843 1.00 74.24 H new ATOM 0 HB3 LEU A 40 0.740 8.122 1.824 1.00 74.24 H new ATOM 0 HG LEU A 40 2.683 6.775 2.484 1.00 21.41 H new ATOM 0 HD11 LEU A 40 3.344 8.044 4.535 1.00 42.35 H new ATOM 0 HD12 LEU A 40 2.567 9.080 3.314 1.00 42.35 H new ATOM 0 HD13 LEU A 40 1.650 8.549 4.744 1.00 42.35 H new ATOM 0 HD21 LEU A 40 2.836 5.637 4.684 1.00 42.14 H new ATOM 0 HD22 LEU A 40 1.095 5.913 4.930 1.00 42.14 H new ATOM 0 HD23 LEU A 40 1.652 4.875 3.596 1.00 42.14 H new ATOM 627 N LEU A 41 -2.313 7.856 1.521 1.00 35.22 N ATOM 628 CA LEU A 41 -3.274 8.592 0.671 1.00 70.23 C ATOM 629 C LEU A 41 -4.661 8.681 1.342 1.00 33.32 C ATOM 630 O LEU A 41 -5.503 9.473 0.908 1.00 54.24 O ATOM 631 CB LEU A 41 -3.405 7.908 -0.718 1.00 41.42 C ATOM 632 CG LEU A 41 -2.092 7.663 -1.508 1.00 74.03 C ATOM 633 CD1 LEU A 41 -2.356 6.968 -2.864 1.00 24.14 C ATOM 634 CD2 LEU A 41 -1.306 8.970 -1.686 1.00 12.04 C ATOM 0 H LEU A 41 -2.175 6.885 1.243 1.00 35.22 H new ATOM 0 HA LEU A 41 -2.891 9.604 0.538 1.00 70.23 H new ATOM 0 HB2 LEU A 41 -3.900 6.947 -0.577 1.00 41.42 H new ATOM 0 HB3 LEU A 41 -4.063 8.519 -1.336 1.00 41.42 H new ATOM 0 HG LEU A 41 -1.477 6.982 -0.919 1.00 74.03 H new ATOM 0 HD11 LEU A 41 -1.411 6.815 -3.385 1.00 24.14 H new ATOM 0 HD12 LEU A 41 -2.835 6.004 -2.692 1.00 24.14 H new ATOM 0 HD13 LEU A 41 -3.008 7.594 -3.473 1.00 24.14 H new ATOM 0 HD21 LEU A 41 -0.390 8.771 -2.243 1.00 12.04 H new ATOM 0 HD22 LEU A 41 -1.915 9.689 -2.234 1.00 12.04 H new ATOM 0 HD23 LEU A 41 -1.054 9.379 -0.708 1.00 12.04 H new ATOM 646 N SER A 42 -4.871 7.851 2.387 1.00 20.12 N ATOM 647 CA SER A 42 -6.141 7.753 3.135 1.00 20.24 C ATOM 648 C SER A 42 -7.286 7.262 2.224 1.00 22.53 C ATOM 649 O SER A 42 -8.407 7.785 2.256 1.00 31.52 O ATOM 650 CB SER A 42 -6.470 9.099 3.849 1.00 50.24 C ATOM 651 OG SER A 42 -5.412 9.473 4.715 1.00 21.51 O ATOM 0 H SER A 42 -4.150 7.221 2.739 1.00 20.12 H new ATOM 0 HA SER A 42 -6.027 7.003 3.918 1.00 20.24 H new ATOM 0 HB2 SER A 42 -6.634 9.880 3.107 1.00 50.24 H new ATOM 0 HB3 SER A 42 -7.395 9.000 4.417 1.00 50.24 H new ATOM 0 HG SER A 42 -4.734 8.766 4.727 1.00 21.51 H new ATOM 657 N THR A 43 -6.988 6.203 1.451 1.00 74.42 N ATOM 658 CA THR A 43 -7.931 5.609 0.483 1.00 15.14 C ATOM 659 C THR A 43 -8.572 4.358 1.100 1.00 0.14 C ATOM 660 O THR A 43 -7.940 3.671 1.911 1.00 71.40 O ATOM 661 CB THR A 43 -7.203 5.218 -0.857 1.00 13.14 C ATOM 662 OG1 THR A 43 -6.249 4.173 -0.627 1.00 63.00 O ATOM 663 CG2 THR A 43 -6.469 6.413 -1.481 1.00 3.04 C ATOM 0 H THR A 43 -6.084 5.732 1.479 1.00 74.42 H new ATOM 0 HA THR A 43 -8.697 6.349 0.252 1.00 15.14 H new ATOM 0 HB THR A 43 -7.978 4.879 -1.545 1.00 13.14 H new ATOM 0 HG1 THR A 43 -5.342 4.535 -0.707 1.00 63.00 H new ATOM 0 HG21 THR A 43 -5.981 6.099 -2.403 1.00 3.04 H new ATOM 0 HG22 THR A 43 -7.185 7.205 -1.701 1.00 3.04 H new ATOM 0 HG23 THR A 43 -5.720 6.785 -0.782 1.00 3.04 H new ATOM 671 N GLY A 44 -9.837 4.088 0.720 1.00 53.13 N ATOM 672 CA GLY A 44 -10.552 2.898 1.180 1.00 64.52 C ATOM 673 C GLY A 44 -9.969 1.617 0.606 1.00 21.32 C ATOM 674 O GLY A 44 -9.854 0.607 1.316 1.00 0.01 O ATOM 0 H GLY A 44 -10.379 4.684 0.094 1.00 53.13 H new ATOM 0 HA2 GLY A 44 -10.518 2.854 2.269 1.00 64.52 H new ATOM 0 HA3 GLY A 44 -11.602 2.976 0.897 1.00 64.52 H new ATOM 678 N ASN A 45 -9.581 1.679 -0.678 1.00 43.32 N ATOM 679 CA ASN A 45 -8.985 0.549 -1.396 1.00 33.54 C ATOM 680 C ASN A 45 -8.177 1.037 -2.604 1.00 32.40 C ATOM 681 O ASN A 45 -8.592 1.958 -3.318 1.00 42.11 O ATOM 682 CB ASN A 45 -10.076 -0.461 -1.850 1.00 62.20 C ATOM 683 CG ASN A 45 -9.502 -1.665 -2.617 1.00 2.21 C ATOM 684 OD1 ASN A 45 -9.454 -1.682 -3.848 1.00 4.40 O ATOM 685 ND2 ASN A 45 -9.040 -2.670 -1.896 1.00 11.40 N ATOM 0 H ASN A 45 -9.674 2.520 -1.247 1.00 43.32 H new ATOM 0 HA ASN A 45 -8.309 0.038 -0.710 1.00 33.54 H new ATOM 0 HB2 ASN A 45 -10.617 -0.820 -0.975 1.00 62.20 H new ATOM 0 HB3 ASN A 45 -10.799 0.054 -2.483 1.00 62.20 H new ATOM 0 HD21 ASN A 45 -8.632 -3.483 -2.357 1.00 11.40 H new ATOM 0 HD22 ASN A 45 -9.091 -2.633 -0.878 1.00 11.40 H new ATOM 692 N VAL A 46 -7.014 0.393 -2.805 1.00 23.21 N ATOM 693 CA VAL A 46 -6.174 0.547 -4.001 1.00 42.32 C ATOM 694 C VAL A 46 -5.877 -0.848 -4.589 1.00 61.44 C ATOM 695 O VAL A 46 -5.741 -1.838 -3.851 1.00 22.00 O ATOM 696 CB VAL A 46 -4.821 1.308 -3.716 1.00 5.41 C ATOM 697 CG1 VAL A 46 -5.067 2.775 -3.294 1.00 5.20 C ATOM 698 CG2 VAL A 46 -3.957 0.569 -2.679 1.00 21.14 C ATOM 0 H VAL A 46 -6.626 -0.262 -2.126 1.00 23.21 H new ATOM 0 HA VAL A 46 -6.729 1.158 -4.713 1.00 42.32 H new ATOM 0 HB VAL A 46 -4.265 1.325 -4.653 1.00 5.41 H new ATOM 0 HG11 VAL A 46 -4.111 3.265 -3.107 1.00 5.20 H new ATOM 0 HG12 VAL A 46 -5.594 3.300 -4.091 1.00 5.20 H new ATOM 0 HG13 VAL A 46 -5.670 2.796 -2.386 1.00 5.20 H new ATOM 0 HG21 VAL A 46 -3.035 1.125 -2.511 1.00 21.14 H new ATOM 0 HG22 VAL A 46 -4.506 0.485 -1.741 1.00 21.14 H new ATOM 0 HG23 VAL A 46 -3.717 -0.428 -3.049 1.00 21.14 H new ATOM 708 N THR A 47 -5.818 -0.907 -5.915 1.00 73.01 N ATOM 709 CA THR A 47 -5.483 -2.109 -6.681 1.00 43.44 C ATOM 710 C THR A 47 -4.024 -2.035 -7.195 1.00 65.32 C ATOM 711 O THR A 47 -3.289 -1.101 -6.868 1.00 75.51 O ATOM 712 CB THR A 47 -6.492 -2.249 -7.856 1.00 32.54 C ATOM 713 OG1 THR A 47 -6.455 -1.070 -8.686 1.00 12.41 O ATOM 714 CG2 THR A 47 -7.934 -2.480 -7.342 1.00 33.43 C ATOM 0 H THR A 47 -6.007 -0.098 -6.507 1.00 73.01 H new ATOM 0 HA THR A 47 -5.556 -2.990 -6.043 1.00 43.44 H new ATOM 0 HB THR A 47 -6.197 -3.119 -8.443 1.00 32.54 H new ATOM 0 HG1 THR A 47 -7.093 -1.169 -9.424 1.00 12.41 H new ATOM 0 HG21 THR A 47 -8.612 -2.573 -8.190 1.00 33.43 H new ATOM 0 HG22 THR A 47 -7.967 -3.394 -6.749 1.00 33.43 H new ATOM 0 HG23 THR A 47 -8.240 -1.636 -6.724 1.00 33.43 H new ATOM 722 N ARG A 48 -3.586 -3.036 -7.986 1.00 44.13 N ATOM 723 CA ARG A 48 -2.181 -3.098 -8.466 1.00 34.10 C ATOM 724 C ARG A 48 -1.954 -2.164 -9.672 1.00 73.05 C ATOM 725 O ARG A 48 -0.809 -1.803 -9.975 1.00 4.03 O ATOM 726 CB ARG A 48 -1.739 -4.573 -8.751 1.00 62.33 C ATOM 727 CG ARG A 48 -2.639 -5.394 -9.720 1.00 43.32 C ATOM 728 CD ARG A 48 -2.078 -5.582 -11.142 1.00 52.31 C ATOM 729 NE ARG A 48 -1.782 -4.308 -11.826 1.00 60.02 N ATOM 730 CZ ARG A 48 -0.709 -4.072 -12.609 1.00 75.14 C ATOM 731 NH1 ARG A 48 0.179 -5.037 -12.850 1.00 61.32 N1+ ATOM 732 NH2 ARG A 48 -0.517 -2.859 -13.121 1.00 4.42 N ATOM 0 H ARG A 48 -4.173 -3.806 -8.305 1.00 44.13 H new ATOM 0 HA ARG A 48 -1.537 -2.731 -7.667 1.00 34.10 H new ATOM 0 HB2 ARG A 48 -0.728 -4.553 -9.159 1.00 62.33 H new ATOM 0 HB3 ARG A 48 -1.689 -5.104 -7.800 1.00 62.33 H new ATOM 0 HG2 ARG A 48 -2.812 -6.377 -9.283 1.00 43.32 H new ATOM 0 HG3 ARG A 48 -3.609 -4.902 -9.792 1.00 43.32 H new ATOM 0 HD2 ARG A 48 -1.167 -6.179 -11.090 1.00 52.31 H new ATOM 0 HD3 ARG A 48 -2.796 -6.147 -11.736 1.00 52.31 H new ATOM 0 HE ARG A 48 -2.444 -3.543 -11.696 1.00 60.02 H new ATOM 0 HH11 ARG A 48 0.050 -5.963 -12.441 1.00 61.32 H new ATOM 0 HH12 ARG A 48 0.987 -4.850 -13.443 1.00 61.32 H new ATOM 0 HH21 ARG A 48 -1.180 -2.110 -12.921 1.00 4.42 H new ATOM 0 HH22 ARG A 48 0.293 -2.678 -13.713 1.00 4.42 H new ATOM 746 N GLU A 49 -3.048 -1.785 -10.368 1.00 22.03 N ATOM 747 CA GLU A 49 -2.993 -0.824 -11.498 1.00 45.22 C ATOM 748 C GLU A 49 -3.205 0.618 -11.004 1.00 23.22 C ATOM 749 O GLU A 49 -3.239 1.544 -11.819 1.00 41.24 O ATOM 750 CB GLU A 49 -4.057 -1.164 -12.582 1.00 62.41 C ATOM 751 CG GLU A 49 -5.505 -0.853 -12.150 1.00 31.43 C ATOM 752 CD GLU A 49 -6.566 -1.206 -13.198 1.00 0.21 C ATOM 753 OE1 GLU A 49 -7.415 -0.341 -13.518 1.00 1.05 O ATOM 754 OE2 GLU A 49 -6.571 -2.355 -13.703 1.00 70.13 O1- ATOM 0 H GLU A 49 -3.986 -2.131 -10.167 1.00 22.03 H new ATOM 0 HA GLU A 49 -2.002 -0.906 -11.944 1.00 45.22 H new ATOM 0 HB2 GLU A 49 -3.830 -0.604 -13.489 1.00 62.41 H new ATOM 0 HB3 GLU A 49 -3.982 -2.222 -12.833 1.00 62.41 H new ATOM 0 HG2 GLU A 49 -5.723 -1.398 -11.232 1.00 31.43 H new ATOM 0 HG3 GLU A 49 -5.582 0.209 -11.916 1.00 31.43 H new ATOM 761 N THR A 50 -3.370 0.797 -9.678 1.00 30.42 N ATOM 762 CA THR A 50 -3.468 2.130 -9.074 1.00 25.33 C ATOM 763 C THR A 50 -2.178 2.914 -9.338 1.00 63.25 C ATOM 764 O THR A 50 -1.093 2.419 -9.048 1.00 33.52 O ATOM 765 CB THR A 50 -3.700 2.049 -7.535 1.00 55.31 C ATOM 766 OG1 THR A 50 -4.820 1.215 -7.278 1.00 31.21 O ATOM 767 CG2 THR A 50 -3.943 3.436 -6.903 1.00 50.50 C ATOM 0 H THR A 50 -3.438 0.030 -9.009 1.00 30.42 H new ATOM 0 HA THR A 50 -4.321 2.635 -9.527 1.00 25.33 H new ATOM 0 HB THR A 50 -2.796 1.637 -7.085 1.00 55.31 H new ATOM 0 HG1 THR A 50 -5.570 1.491 -7.845 1.00 31.21 H new ATOM 0 HG21 THR A 50 -4.099 3.325 -5.830 1.00 50.50 H new ATOM 0 HG22 THR A 50 -3.076 4.073 -7.079 1.00 50.50 H new ATOM 0 HG23 THR A 50 -4.825 3.891 -7.353 1.00 50.50 H new ATOM 775 N ASP A 51 -2.319 4.106 -9.917 1.00 54.25 N ATOM 776 CA ASP A 51 -1.212 5.053 -10.105 1.00 54.15 C ATOM 777 C ASP A 51 -1.203 6.020 -8.924 1.00 2.24 C ATOM 778 O ASP A 51 -2.250 6.590 -8.602 1.00 73.44 O ATOM 779 CB ASP A 51 -1.385 5.833 -11.425 1.00 63.35 C ATOM 780 CG ASP A 51 -1.387 4.942 -12.665 1.00 21.41 C ATOM 781 OD1 ASP A 51 -2.411 4.278 -12.924 1.00 73.24 O ATOM 782 OD2 ASP A 51 -0.368 4.919 -13.399 1.00 14.11 O1- ATOM 0 H ASP A 51 -3.212 4.448 -10.273 1.00 54.25 H new ATOM 0 HA ASP A 51 -0.268 4.510 -10.156 1.00 54.15 H new ATOM 0 HB2 ASP A 51 -2.320 6.391 -11.388 1.00 63.35 H new ATOM 0 HB3 ASP A 51 -0.581 6.563 -11.514 1.00 63.35 H new ATOM 787 N PHE A 52 -0.024 6.192 -8.294 1.00 15.33 N ATOM 788 CA PHE A 52 0.135 6.981 -7.060 1.00 23.21 C ATOM 789 C PHE A 52 -0.344 8.428 -7.258 1.00 74.55 C ATOM 790 O PHE A 52 -1.210 8.913 -6.521 1.00 35.40 O ATOM 791 CB PHE A 52 1.624 6.958 -6.605 1.00 13.50 C ATOM 792 CG PHE A 52 1.853 7.547 -5.218 1.00 55.14 C ATOM 793 CD1 PHE A 52 1.617 6.776 -4.081 1.00 1.13 C ATOM 794 CD2 PHE A 52 2.287 8.863 -5.044 1.00 14.22 C ATOM 795 CE1 PHE A 52 1.802 7.296 -2.822 1.00 74.22 C ATOM 796 CE2 PHE A 52 2.471 9.378 -3.779 1.00 12.12 C ATOM 797 CZ PHE A 52 2.231 8.595 -2.670 1.00 55.42 C ATOM 0 H PHE A 52 0.848 5.784 -8.630 1.00 15.33 H new ATOM 0 HA PHE A 52 -0.483 6.531 -6.283 1.00 23.21 H new ATOM 0 HB2 PHE A 52 1.982 5.928 -6.616 1.00 13.50 H new ATOM 0 HB3 PHE A 52 2.224 7.511 -7.328 1.00 13.50 H new ATOM 0 HD1 PHE A 52 1.284 5.755 -4.191 1.00 1.13 H new ATOM 0 HD2 PHE A 52 2.480 9.482 -5.908 1.00 14.22 H new ATOM 0 HE1 PHE A 52 1.611 6.685 -1.952 1.00 74.22 H new ATOM 0 HE2 PHE A 52 2.804 10.398 -3.656 1.00 12.12 H new ATOM 0 HZ PHE A 52 2.380 9.001 -1.681 1.00 55.42 H new ATOM 807 N PHE A 53 0.220 9.073 -8.290 1.00 45.50 N ATOM 808 CA PHE A 53 -0.027 10.491 -8.603 1.00 72.24 C ATOM 809 C PHE A 53 -1.479 10.718 -9.064 1.00 45.11 C ATOM 810 O PHE A 53 -2.124 11.692 -8.667 1.00 52.24 O ATOM 811 CB PHE A 53 0.986 10.972 -9.676 1.00 3.44 C ATOM 812 CG PHE A 53 2.438 10.910 -9.192 1.00 60.41 C ATOM 813 CD1 PHE A 53 3.244 9.793 -9.448 1.00 22.42 C ATOM 814 CD2 PHE A 53 2.986 11.959 -8.451 1.00 24.44 C ATOM 815 CE1 PHE A 53 4.541 9.736 -8.974 1.00 54.35 C ATOM 816 CE2 PHE A 53 4.285 11.897 -7.988 1.00 64.41 C ATOM 817 CZ PHE A 53 5.060 10.785 -8.248 1.00 3.13 C ATOM 0 H PHE A 53 0.866 8.622 -8.937 1.00 45.50 H new ATOM 0 HA PHE A 53 0.115 11.080 -7.697 1.00 72.24 H new ATOM 0 HB2 PHE A 53 0.880 10.358 -10.570 1.00 3.44 H new ATOM 0 HB3 PHE A 53 0.747 11.996 -9.962 1.00 3.44 H new ATOM 0 HD1 PHE A 53 2.848 8.968 -10.022 1.00 22.42 H new ATOM 0 HD2 PHE A 53 2.385 12.831 -8.237 1.00 24.44 H new ATOM 0 HE1 PHE A 53 5.149 8.866 -9.174 1.00 54.35 H new ATOM 0 HE2 PHE A 53 4.695 12.720 -7.422 1.00 64.41 H new ATOM 0 HZ PHE A 53 6.075 10.737 -7.882 1.00 3.13 H new ATOM 827 N GLN A 54 -1.983 9.774 -9.871 1.00 1.01 N ATOM 828 CA GLN A 54 -3.358 9.800 -10.416 1.00 74.21 C ATOM 829 C GLN A 54 -4.416 9.658 -9.299 1.00 71.10 C ATOM 830 O GLN A 54 -5.460 10.316 -9.338 1.00 22.35 O ATOM 831 CB GLN A 54 -3.500 8.669 -11.462 1.00 70.42 C ATOM 832 CG GLN A 54 -4.904 8.469 -12.062 1.00 2.40 C ATOM 833 CD GLN A 54 -4.951 7.308 -13.055 1.00 13.42 C ATOM 834 OE1 GLN A 54 -4.744 7.494 -14.250 1.00 42.14 O ATOM 835 NE2 GLN A 54 -5.188 6.098 -12.561 1.00 41.44 N ATOM 0 H GLN A 54 -1.446 8.960 -10.170 1.00 1.01 H new ATOM 0 HA GLN A 54 -3.534 10.764 -10.892 1.00 74.21 H new ATOM 0 HB2 GLN A 54 -2.804 8.867 -12.277 1.00 70.42 H new ATOM 0 HB3 GLN A 54 -3.189 7.733 -10.998 1.00 70.42 H new ATOM 0 HG2 GLN A 54 -5.617 8.286 -11.258 1.00 2.40 H new ATOM 0 HG3 GLN A 54 -5.216 9.385 -12.563 1.00 2.40 H new ATOM 0 HE21 GLN A 54 -5.356 5.979 -11.562 1.00 41.44 H new ATOM 0 HE22 GLN A 54 -5.202 5.288 -13.181 1.00 41.44 H new ATOM 844 N GLN A 55 -4.095 8.824 -8.290 1.00 65.50 N ATOM 845 CA GLN A 55 -4.985 8.533 -7.136 1.00 4.31 C ATOM 846 C GLN A 55 -5.142 9.781 -6.230 1.00 22.01 C ATOM 847 O GLN A 55 -6.101 9.883 -5.459 1.00 34.43 O ATOM 848 CB GLN A 55 -4.397 7.331 -6.330 1.00 23.10 C ATOM 849 CG GLN A 55 -5.327 6.731 -5.246 1.00 62.41 C ATOM 850 CD GLN A 55 -6.553 5.989 -5.805 1.00 45.42 C ATOM 851 OE1 GLN A 55 -6.514 5.412 -6.889 1.00 53.43 O ATOM 852 NE2 GLN A 55 -7.651 5.991 -5.069 1.00 21.41 N ATOM 0 H GLN A 55 -3.205 8.327 -8.248 1.00 65.50 H new ATOM 0 HA GLN A 55 -5.977 8.270 -7.504 1.00 4.31 H new ATOM 0 HB2 GLN A 55 -4.131 6.541 -7.033 1.00 23.10 H new ATOM 0 HB3 GLN A 55 -3.473 7.655 -5.851 1.00 23.10 H new ATOM 0 HG2 GLN A 55 -4.750 6.042 -4.629 1.00 62.41 H new ATOM 0 HG3 GLN A 55 -5.669 7.534 -4.593 1.00 62.41 H new ATOM 0 HE21 GLN A 55 -7.663 6.476 -4.172 1.00 21.41 H new ATOM 0 HE22 GLN A 55 -8.487 5.507 -5.398 1.00 21.41 H new ATOM 861 N GLY A 56 -4.199 10.739 -6.360 1.00 32.24 N ATOM 862 CA GLY A 56 -4.210 11.990 -5.590 1.00 41.52 C ATOM 863 C GLY A 56 -2.932 12.207 -4.785 1.00 33.41 C ATOM 864 O GLY A 56 -2.826 13.193 -4.043 1.00 14.03 O ATOM 0 H GLY A 56 -3.411 10.662 -7.003 1.00 32.24 H new ATOM 0 HA2 GLY A 56 -4.350 12.829 -6.272 1.00 41.52 H new ATOM 0 HA3 GLY A 56 -5.063 11.985 -4.912 1.00 41.52 H new ATOM 868 N GLY A 57 -1.962 11.279 -4.934 1.00 3.33 N ATOM 869 CA GLY A 57 -0.665 11.382 -4.268 1.00 61.32 C ATOM 870 C GLY A 57 0.237 12.430 -4.894 1.00 54.21 C ATOM 871 O GLY A 57 0.240 12.607 -6.115 1.00 41.51 O ATOM 0 H GLY A 57 -2.064 10.448 -5.516 1.00 3.33 H new ATOM 0 HA2 GLY A 57 -0.820 11.624 -3.217 1.00 61.32 H new ATOM 0 HA3 GLY A 57 -0.166 10.413 -4.302 1.00 61.32 H new ATOM 875 N ASP A 58 1.008 13.125 -4.053 1.00 1.54 N ATOM 876 CA ASP A 58 1.932 14.191 -4.488 1.00 52.00 C ATOM 877 C ASP A 58 3.370 13.630 -4.533 1.00 42.45 C ATOM 878 O ASP A 58 3.615 12.537 -4.026 1.00 2.52 O ATOM 879 CB ASP A 58 1.805 15.388 -3.505 1.00 33.24 C ATOM 880 CG ASP A 58 2.672 16.600 -3.892 1.00 13.43 C ATOM 881 OD1 ASP A 58 2.356 17.280 -4.890 1.00 33.43 O ATOM 882 OD2 ASP A 58 3.675 16.880 -3.212 1.00 24.25 O1- ATOM 0 H ASP A 58 1.013 12.968 -3.045 1.00 1.54 H new ATOM 0 HA ASP A 58 1.683 14.542 -5.489 1.00 52.00 H new ATOM 0 HB2 ASP A 58 0.761 15.699 -3.458 1.00 33.24 H new ATOM 0 HB3 ASP A 58 2.084 15.057 -2.505 1.00 33.24 H new ATOM 887 N SER A 59 4.304 14.373 -5.155 1.00 60.21 N ATOM 888 CA SER A 59 5.736 14.014 -5.215 1.00 54.11 C ATOM 889 C SER A 59 6.371 13.981 -3.805 1.00 51.42 C ATOM 890 O SER A 59 7.167 13.092 -3.496 1.00 32.40 O ATOM 891 CB SER A 59 6.477 15.008 -6.136 1.00 62.22 C ATOM 892 OG SER A 59 6.176 16.361 -5.798 1.00 1.02 O ATOM 0 H SER A 59 4.086 15.247 -5.634 1.00 60.21 H new ATOM 0 HA SER A 59 5.828 13.010 -5.628 1.00 54.11 H new ATOM 0 HB2 SER A 59 7.552 14.844 -6.060 1.00 62.22 H new ATOM 0 HB3 SER A 59 6.199 14.821 -7.173 1.00 62.22 H new ATOM 0 HG SER A 59 6.662 16.964 -6.398 1.00 1.02 H new ATOM 898 N LEU A 60 5.994 14.949 -2.953 1.00 4.34 N ATOM 899 CA LEU A 60 6.422 14.999 -1.541 1.00 53.11 C ATOM 900 C LEU A 60 5.879 13.776 -0.772 1.00 0.24 C ATOM 901 O LEU A 60 6.606 13.144 0.000 1.00 11.31 O ATOM 902 CB LEU A 60 5.947 16.325 -0.884 1.00 71.23 C ATOM 903 CG LEU A 60 6.309 16.522 0.625 1.00 73.24 C ATOM 904 CD1 LEU A 60 7.829 16.416 0.861 1.00 73.34 C ATOM 905 CD2 LEU A 60 5.747 17.856 1.170 1.00 2.34 C ATOM 0 H LEU A 60 5.383 15.720 -3.222 1.00 4.34 H new ATOM 0 HA LEU A 60 7.511 14.968 -1.500 1.00 53.11 H new ATOM 0 HB2 LEU A 60 6.370 17.156 -1.448 1.00 71.23 H new ATOM 0 HB3 LEU A 60 4.864 16.388 -0.987 1.00 71.23 H new ATOM 0 HG LEU A 60 5.835 15.713 1.181 1.00 73.24 H new ATOM 0 HD11 LEU A 60 8.044 16.558 1.920 1.00 73.34 H new ATOM 0 HD12 LEU A 60 8.178 15.432 0.549 1.00 73.34 H new ATOM 0 HD13 LEU A 60 8.342 17.183 0.281 1.00 73.34 H new ATOM 0 HD21 LEU A 60 6.016 17.962 2.221 1.00 2.34 H new ATOM 0 HD22 LEU A 60 6.167 18.687 0.602 1.00 2.34 H new ATOM 0 HD23 LEU A 60 4.661 17.861 1.071 1.00 2.34 H new ATOM 917 N LEU A 61 4.602 13.441 -1.041 1.00 23.13 N ATOM 918 CA LEU A 61 3.917 12.263 -0.465 1.00 75.35 C ATOM 919 C LEU A 61 4.604 10.962 -0.966 1.00 3.34 C ATOM 920 O LEU A 61 4.686 9.970 -0.241 1.00 4.34 O ATOM 921 CB LEU A 61 2.393 12.311 -0.848 1.00 22.23 C ATOM 922 CG LEU A 61 1.359 11.836 0.229 1.00 3.41 C ATOM 923 CD1 LEU A 61 -0.088 12.154 -0.216 1.00 30.44 C ATOM 924 CD2 LEU A 61 1.518 10.341 0.571 1.00 32.52 C ATOM 0 H LEU A 61 4.010 13.984 -1.670 1.00 23.13 H new ATOM 0 HA LEU A 61 3.990 12.275 0.622 1.00 75.35 H new ATOM 0 HB2 LEU A 61 2.147 13.337 -1.120 1.00 22.23 H new ATOM 0 HB3 LEU A 61 2.252 11.702 -1.741 1.00 22.23 H new ATOM 0 HG LEU A 61 1.568 12.394 1.142 1.00 3.41 H new ATOM 0 HD11 LEU A 61 -0.787 11.814 0.549 1.00 30.44 H new ATOM 0 HD12 LEU A 61 -0.198 13.229 -0.356 1.00 30.44 H new ATOM 0 HD13 LEU A 61 -0.301 11.642 -1.155 1.00 30.44 H new ATOM 0 HD21 LEU A 61 0.780 10.059 1.322 1.00 32.52 H new ATOM 0 HD22 LEU A 61 1.367 9.744 -0.328 1.00 32.52 H new ATOM 0 HD23 LEU A 61 2.520 10.162 0.962 1.00 32.52 H new ATOM 936 N ALA A 62 5.121 11.017 -2.206 1.00 33.11 N ATOM 937 CA ALA A 62 5.829 9.902 -2.856 1.00 42.11 C ATOM 938 C ALA A 62 7.197 9.646 -2.206 1.00 72.13 C ATOM 939 O ALA A 62 7.640 8.499 -2.126 1.00 22.43 O ATOM 940 CB ALA A 62 5.976 10.197 -4.355 1.00 71.54 C ATOM 0 H ALA A 62 5.057 11.849 -2.792 1.00 33.11 H new ATOM 0 HA ALA A 62 5.242 8.993 -2.726 1.00 42.11 H new ATOM 0 HB1 ALA A 62 6.500 9.373 -4.838 1.00 71.54 H new ATOM 0 HB2 ALA A 62 4.988 10.311 -4.802 1.00 71.54 H new ATOM 0 HB3 ALA A 62 6.544 11.117 -4.491 1.00 71.54 H new ATOM 946 N THR A 63 7.844 10.735 -1.740 1.00 51.40 N ATOM 947 CA THR A 63 9.128 10.674 -1.023 1.00 42.43 C ATOM 948 C THR A 63 8.937 9.990 0.354 1.00 34.11 C ATOM 949 O THR A 63 9.828 9.290 0.854 1.00 41.22 O ATOM 950 CB THR A 63 9.723 12.118 -0.847 1.00 51.23 C ATOM 951 OG1 THR A 63 9.676 12.818 -2.101 1.00 2.45 O ATOM 952 CG2 THR A 63 11.182 12.103 -0.351 1.00 61.44 C ATOM 0 H THR A 63 7.486 11.683 -1.853 1.00 51.40 H new ATOM 0 HA THR A 63 9.832 10.082 -1.609 1.00 42.43 H new ATOM 0 HB THR A 63 9.115 12.619 -0.094 1.00 51.23 H new ATOM 0 HG1 THR A 63 8.742 12.959 -2.362 1.00 2.45 H new ATOM 0 HG21 THR A 63 11.542 13.127 -0.247 1.00 61.44 H new ATOM 0 HG22 THR A 63 11.233 11.601 0.615 1.00 61.44 H new ATOM 0 HG23 THR A 63 11.805 11.571 -1.070 1.00 61.44 H new ATOM 960 N ARG A 64 7.739 10.183 0.944 1.00 32.53 N ATOM 961 CA ARG A 64 7.377 9.567 2.233 1.00 54.11 C ATOM 962 C ARG A 64 7.054 8.078 2.049 1.00 75.34 C ATOM 963 O ARG A 64 7.481 7.243 2.838 1.00 4.55 O ATOM 964 CB ARG A 64 6.178 10.299 2.892 1.00 3.03 C ATOM 965 CG ARG A 64 6.341 11.832 2.929 1.00 44.35 C ATOM 966 CD ARG A 64 5.448 12.527 3.971 1.00 12.02 C ATOM 967 NE ARG A 64 5.583 13.991 3.916 1.00 13.42 N ATOM 968 CZ ARG A 64 6.694 14.698 4.210 1.00 34.45 C ATOM 969 NH1 ARG A 64 7.825 14.112 4.604 1.00 52.03 N1+ ATOM 970 NH2 ARG A 64 6.672 16.013 4.086 1.00 4.03 N ATOM 0 H ARG A 64 7.003 10.765 0.543 1.00 32.53 H new ATOM 0 HA ARG A 64 8.236 9.661 2.897 1.00 54.11 H new ATOM 0 HB2 ARG A 64 5.267 10.051 2.348 1.00 3.03 H new ATOM 0 HB3 ARG A 64 6.052 9.930 3.910 1.00 3.03 H new ATOM 0 HG2 ARG A 64 7.383 12.072 3.140 1.00 44.35 H new ATOM 0 HG3 ARG A 64 6.114 12.236 1.942 1.00 44.35 H new ATOM 0 HD2 ARG A 64 4.407 12.251 3.800 1.00 12.02 H new ATOM 0 HD3 ARG A 64 5.711 12.175 4.968 1.00 12.02 H new ATOM 0 HE ARG A 64 4.760 14.521 3.629 1.00 13.42 H new ATOM 0 HH11 ARG A 64 7.870 13.097 4.692 1.00 52.03 H new ATOM 0 HH12 ARG A 64 8.645 14.679 4.818 1.00 52.03 H new ATOM 0 HH21 ARG A 64 5.822 16.481 3.771 1.00 4.03 H new ATOM 0 HH22 ARG A 64 7.505 16.560 4.305 1.00 4.03 H new ATOM 984 N LEU A 65 6.312 7.770 0.967 1.00 23.21 N ATOM 985 CA LEU A 65 5.853 6.403 0.652 1.00 72.34 C ATOM 986 C LEU A 65 7.065 5.461 0.472 1.00 54.43 C ATOM 987 O LEU A 65 7.090 4.343 1.015 1.00 25.32 O ATOM 988 CB LEU A 65 4.947 6.435 -0.623 1.00 22.14 C ATOM 989 CG LEU A 65 4.069 5.158 -0.921 1.00 24.14 C ATOM 990 CD1 LEU A 65 4.882 3.960 -1.478 1.00 70.21 C ATOM 991 CD2 LEU A 65 3.254 4.755 0.334 1.00 24.43 C ATOM 0 H LEU A 65 6.013 8.466 0.284 1.00 23.21 H new ATOM 0 HA LEU A 65 5.259 6.015 1.479 1.00 72.34 H new ATOM 0 HB2 LEU A 65 4.278 7.292 -0.540 1.00 22.14 H new ATOM 0 HB3 LEU A 65 5.587 6.613 -1.487 1.00 22.14 H new ATOM 0 HG LEU A 65 3.379 5.436 -1.717 1.00 24.14 H new ATOM 0 HD11 LEU A 65 4.213 3.119 -1.659 1.00 70.21 H new ATOM 0 HD12 LEU A 65 5.362 4.249 -2.413 1.00 70.21 H new ATOM 0 HD13 LEU A 65 5.643 3.669 -0.754 1.00 70.21 H new ATOM 0 HD21 LEU A 65 2.654 3.873 0.111 1.00 24.43 H new ATOM 0 HD22 LEU A 65 3.936 4.532 1.155 1.00 24.43 H new ATOM 0 HD23 LEU A 65 2.598 5.577 0.621 1.00 24.43 H new ATOM 1003 N THR A 66 8.056 5.942 -0.285 1.00 13.30 N ATOM 1004 CA THR A 66 9.307 5.220 -0.536 1.00 12.21 C ATOM 1005 C THR A 66 10.111 5.033 0.768 1.00 63.33 C ATOM 1006 O THR A 66 10.732 3.985 0.976 1.00 13.30 O ATOM 1007 CB THR A 66 10.152 5.978 -1.600 1.00 64.34 C ATOM 1008 OG1 THR A 66 10.332 7.342 -1.201 1.00 64.20 O ATOM 1009 CG2 THR A 66 9.478 5.940 -2.980 1.00 73.01 C ATOM 0 H THR A 66 8.012 6.851 -0.745 1.00 13.30 H new ATOM 0 HA THR A 66 9.064 4.229 -0.920 1.00 12.21 H new ATOM 0 HB THR A 66 11.119 5.481 -1.672 1.00 64.34 H new ATOM 0 HG1 THR A 66 9.547 7.866 -1.465 1.00 64.20 H new ATOM 0 HG21 THR A 66 10.094 6.478 -3.701 1.00 73.01 H new ATOM 0 HG22 THR A 66 9.365 4.905 -3.301 1.00 73.01 H new ATOM 0 HG23 THR A 66 8.496 6.410 -2.919 1.00 73.01 H new ATOM 1017 N GLY A 67 10.068 6.071 1.625 1.00 33.30 N ATOM 1018 CA GLY A 67 10.644 6.027 2.973 1.00 10.21 C ATOM 1019 C GLY A 67 10.021 4.944 3.858 1.00 3.13 C ATOM 1020 O GLY A 67 10.729 4.288 4.621 1.00 60.41 O ATOM 0 H GLY A 67 9.631 6.964 1.397 1.00 33.30 H new ATOM 0 HA2 GLY A 67 11.717 5.853 2.897 1.00 10.21 H new ATOM 0 HA3 GLY A 67 10.512 6.998 3.450 1.00 10.21 H new ATOM 1024 N GLN A 68 8.692 4.748 3.724 1.00 64.34 N ATOM 1025 CA GLN A 68 7.937 3.691 4.442 1.00 53.45 C ATOM 1026 C GLN A 68 8.355 2.289 3.944 1.00 62.14 C ATOM 1027 O GLN A 68 8.442 1.336 4.733 1.00 45.22 O ATOM 1028 CB GLN A 68 6.383 3.918 4.304 1.00 60.11 C ATOM 1029 CG GLN A 68 5.684 4.442 5.585 1.00 51.01 C ATOM 1030 CD GLN A 68 6.178 5.812 6.065 1.00 4.24 C ATOM 1031 OE1 GLN A 68 6.533 6.677 5.275 1.00 22.22 O ATOM 1032 NE2 GLN A 68 6.217 6.024 7.373 1.00 65.31 N ATOM 0 H GLN A 68 8.108 5.319 3.113 1.00 64.34 H new ATOM 0 HA GLN A 68 8.182 3.752 5.502 1.00 53.45 H new ATOM 0 HB2 GLN A 68 6.204 4.626 3.495 1.00 60.11 H new ATOM 0 HB3 GLN A 68 5.917 2.977 4.013 1.00 60.11 H new ATOM 0 HG2 GLN A 68 4.611 4.501 5.400 1.00 51.01 H new ATOM 0 HG3 GLN A 68 5.830 3.717 6.385 1.00 51.01 H new ATOM 0 HE21 GLN A 68 5.917 5.292 8.017 1.00 65.31 H new ATOM 0 HE22 GLN A 68 6.547 6.919 7.735 1.00 65.31 H new ATOM 1041 N LEU A 69 8.626 2.174 2.630 1.00 1.33 N ATOM 1042 CA LEU A 69 9.130 0.921 2.031 1.00 1.03 C ATOM 1043 C LEU A 69 10.575 0.628 2.468 1.00 4.23 C ATOM 1044 O LEU A 69 10.951 -0.534 2.569 1.00 74.44 O ATOM 1045 CB LEU A 69 9.002 0.951 0.484 1.00 24.03 C ATOM 1046 CG LEU A 69 7.545 0.817 -0.055 1.00 51.33 C ATOM 1047 CD1 LEU A 69 7.492 0.980 -1.581 1.00 34.13 C ATOM 1048 CD2 LEU A 69 6.914 -0.528 0.380 1.00 45.31 C ATOM 0 H LEU A 69 8.504 2.934 1.961 1.00 1.33 H new ATOM 0 HA LEU A 69 8.508 0.106 2.401 1.00 1.03 H new ATOM 0 HB2 LEU A 69 9.426 1.886 0.117 1.00 24.03 H new ATOM 0 HB3 LEU A 69 9.604 0.143 0.068 1.00 24.03 H new ATOM 0 HG LEU A 69 6.958 1.624 0.383 1.00 51.33 H new ATOM 0 HD11 LEU A 69 6.461 0.881 -1.922 1.00 34.13 H new ATOM 0 HD12 LEU A 69 7.872 1.964 -1.855 1.00 34.13 H new ATOM 0 HD13 LEU A 69 8.105 0.211 -2.051 1.00 34.13 H new ATOM 0 HD21 LEU A 69 5.898 -0.596 -0.009 1.00 45.31 H new ATOM 0 HD22 LEU A 69 7.509 -1.353 -0.013 1.00 45.31 H new ATOM 0 HD23 LEU A 69 6.890 -0.584 1.468 1.00 45.31 H new ATOM 1060 N HIS A 70 11.360 1.692 2.754 1.00 74.05 N ATOM 1061 CA HIS A 70 12.741 1.559 3.290 1.00 35.14 C ATOM 1062 C HIS A 70 12.720 0.878 4.666 1.00 54.13 C ATOM 1063 O HIS A 70 13.597 0.076 4.984 1.00 71.21 O ATOM 1064 CB HIS A 70 13.446 2.940 3.395 1.00 55.13 C ATOM 1065 CG HIS A 70 13.703 3.610 2.079 1.00 1.41 C ATOM 1066 ND1 HIS A 70 13.677 4.977 1.900 1.00 15.33 N ATOM 1067 CD2 HIS A 70 14.024 3.087 0.881 1.00 4.13 C ATOM 1068 CE1 HIS A 70 13.965 5.257 0.649 1.00 34.32 C ATOM 1069 NE2 HIS A 70 14.183 4.129 0.011 1.00 61.42 N ATOM 0 H HIS A 70 11.061 2.658 2.623 1.00 74.05 H new ATOM 0 HA HIS A 70 13.306 0.941 2.592 1.00 35.14 H new ATOM 0 HB2 HIS A 70 12.835 3.600 4.011 1.00 55.13 H new ATOM 0 HB3 HIS A 70 14.396 2.810 3.913 1.00 55.13 H new ATOM 0 HD2 HIS A 70 14.135 2.038 0.650 1.00 4.13 H new ATOM 0 HE1 HIS A 70 14.014 6.246 0.218 1.00 34.32 H new ATOM 0 HE2 HIS A 70 14.431 4.045 -0.975 1.00 61.42 H new ATOM 1078 N GLN A 71 11.680 1.208 5.453 1.00 51.42 N ATOM 1079 CA GLN A 71 11.437 0.618 6.787 1.00 45.22 C ATOM 1080 C GLN A 71 11.053 -0.863 6.653 1.00 10.23 C ATOM 1081 O GLN A 71 11.358 -1.677 7.521 1.00 1.43 O ATOM 1082 CB GLN A 71 10.315 1.394 7.518 1.00 34.14 C ATOM 1083 CG GLN A 71 10.531 2.919 7.555 1.00 42.30 C ATOM 1084 CD GLN A 71 9.453 3.675 8.329 1.00 63.32 C ATOM 1085 OE1 GLN A 71 8.288 3.272 8.366 1.00 55.01 O ATOM 1086 NE2 GLN A 71 9.828 4.773 8.963 1.00 73.24 N ATOM 0 H GLN A 71 10.978 1.896 5.181 1.00 51.42 H new ATOM 0 HA GLN A 71 12.354 0.690 7.372 1.00 45.22 H new ATOM 0 HB2 GLN A 71 9.364 1.184 7.029 1.00 34.14 H new ATOM 0 HB3 GLN A 71 10.237 1.023 8.540 1.00 34.14 H new ATOM 0 HG2 GLN A 71 11.502 3.128 8.004 1.00 42.30 H new ATOM 0 HG3 GLN A 71 10.564 3.297 6.533 1.00 42.30 H new ATOM 0 HE21 GLN A 71 10.798 5.083 8.915 1.00 73.24 H new ATOM 0 HE22 GLN A 71 9.147 5.310 9.500 1.00 73.24 H new ATOM 1095 N ALA A 72 10.385 -1.179 5.535 1.00 23.20 N ATOM 1096 CA ALA A 72 9.965 -2.546 5.179 1.00 10.14 C ATOM 1097 C ALA A 72 11.126 -3.376 4.587 1.00 11.15 C ATOM 1098 O ALA A 72 10.944 -4.552 4.259 1.00 32.53 O ATOM 1099 CB ALA A 72 8.791 -2.457 4.196 1.00 20.04 C ATOM 0 H ALA A 72 10.116 -0.483 4.840 1.00 23.20 H new ATOM 0 HA ALA A 72 9.651 -3.065 6.085 1.00 10.14 H new ATOM 0 HB1 ALA A 72 8.468 -3.462 3.923 1.00 20.04 H new ATOM 0 HB2 ALA A 72 7.963 -1.925 4.665 1.00 20.04 H new ATOM 0 HB3 ALA A 72 9.106 -1.921 3.301 1.00 20.04 H new ATOM 1105 N GLY A 73 12.312 -2.743 4.449 1.00 2.24 N ATOM 1106 CA GLY A 73 13.510 -3.409 3.918 1.00 61.24 C ATOM 1107 C GLY A 73 13.498 -3.523 2.400 1.00 11.31 C ATOM 1108 O GLY A 73 14.071 -4.459 1.827 1.00 43.42 O ATOM 0 H GLY A 73 12.460 -1.766 4.701 1.00 2.24 H new ATOM 0 HA2 GLY A 73 14.396 -2.855 4.229 1.00 61.24 H new ATOM 0 HA3 GLY A 73 13.588 -4.406 4.352 1.00 61.24 H new ATOM 1112 N TYR A 74 12.813 -2.573 1.751 1.00 21.33 N ATOM 1113 CA TYR A 74 12.777 -2.435 0.290 1.00 62.10 C ATOM 1114 C TYR A 74 13.332 -1.059 -0.095 1.00 51.04 C ATOM 1115 O TYR A 74 12.848 -0.032 0.390 1.00 43.51 O ATOM 1116 CB TYR A 74 11.323 -2.588 -0.233 1.00 12.33 C ATOM 1117 CG TYR A 74 10.709 -3.974 0.009 1.00 53.31 C ATOM 1118 CD1 TYR A 74 9.753 -4.186 1.008 1.00 12.54 C ATOM 1119 CD2 TYR A 74 11.081 -5.072 -0.773 1.00 53.10 C ATOM 1120 CE1 TYR A 74 9.193 -5.434 1.216 1.00 52.55 C ATOM 1121 CE2 TYR A 74 10.523 -6.321 -0.566 1.00 32.41 C ATOM 1122 CZ TYR A 74 9.579 -6.499 0.425 1.00 71.23 C ATOM 1123 OH TYR A 74 9.031 -7.752 0.632 1.00 34.40 O ATOM 0 H TYR A 74 12.259 -1.867 2.235 1.00 21.33 H new ATOM 0 HA TYR A 74 13.387 -3.217 -0.162 1.00 62.10 H new ATOM 0 HB2 TYR A 74 10.696 -1.837 0.246 1.00 12.33 H new ATOM 0 HB3 TYR A 74 11.310 -2.379 -1.303 1.00 12.33 H new ATOM 0 HD1 TYR A 74 9.446 -3.358 1.630 1.00 12.54 H new ATOM 0 HD2 TYR A 74 11.817 -4.943 -1.553 1.00 53.10 H new ATOM 0 HE1 TYR A 74 8.457 -5.575 1.994 1.00 52.55 H new ATOM 0 HE2 TYR A 74 10.826 -7.156 -1.180 1.00 32.41 H new ATOM 0 HH TYR A 74 9.411 -8.386 -0.011 1.00 34.40 H new ATOM 1133 N GLU A 75 14.354 -1.042 -0.959 1.00 30.25 N ATOM 1134 CA GLU A 75 14.925 0.201 -1.486 1.00 41.40 C ATOM 1135 C GLU A 75 13.967 0.727 -2.575 1.00 12.03 C ATOM 1136 O GLU A 75 13.665 0.010 -3.522 1.00 11.22 O ATOM 1137 CB GLU A 75 16.364 -0.043 -2.047 1.00 4.53 C ATOM 1138 CG GLU A 75 17.319 1.184 -2.005 1.00 64.50 C ATOM 1139 CD GLU A 75 16.810 2.444 -2.740 1.00 52.24 C ATOM 1140 OE1 GLU A 75 16.187 3.316 -2.086 1.00 24.20 O ATOM 1141 OE2 GLU A 75 17.028 2.569 -3.966 1.00 40.51 O1- ATOM 0 H GLU A 75 14.806 -1.886 -1.311 1.00 30.25 H new ATOM 0 HA GLU A 75 15.026 0.944 -0.695 1.00 41.40 H new ATOM 0 HB2 GLU A 75 16.821 -0.856 -1.483 1.00 4.53 H new ATOM 0 HB3 GLU A 75 16.279 -0.380 -3.080 1.00 4.53 H new ATOM 0 HG2 GLU A 75 17.506 1.442 -0.963 1.00 64.50 H new ATOM 0 HG3 GLU A 75 18.276 0.893 -2.438 1.00 64.50 H new ATOM 1148 N ALA A 76 13.520 1.976 -2.425 1.00 70.33 N ATOM 1149 CA ALA A 76 12.459 2.575 -3.251 1.00 75.30 C ATOM 1150 C ALA A 76 12.743 4.068 -3.439 1.00 43.33 C ATOM 1151 O ALA A 76 13.163 4.739 -2.490 1.00 71.03 O ATOM 1152 CB ALA A 76 11.097 2.344 -2.578 1.00 20.55 C ATOM 0 H ALA A 76 13.888 2.612 -1.717 1.00 70.33 H new ATOM 0 HA ALA A 76 12.437 2.106 -4.235 1.00 75.30 H new ATOM 0 HB1 ALA A 76 10.310 2.787 -3.188 1.00 20.55 H new ATOM 0 HB2 ALA A 76 10.918 1.274 -2.476 1.00 20.55 H new ATOM 0 HB3 ALA A 76 11.095 2.807 -1.591 1.00 20.55 H new ATOM 1158 N GLN A 77 12.517 4.585 -4.661 1.00 34.23 N ATOM 1159 CA GLN A 77 12.761 6.007 -4.998 1.00 51.31 C ATOM 1160 C GLN A 77 11.565 6.609 -5.754 1.00 12.24 C ATOM 1161 O GLN A 77 10.814 5.898 -6.429 1.00 53.11 O ATOM 1162 CB GLN A 77 14.081 6.168 -5.819 1.00 13.23 C ATOM 1163 CG GLN A 77 15.367 5.861 -5.015 1.00 44.22 C ATOM 1164 CD GLN A 77 15.546 6.769 -3.780 1.00 14.22 C ATOM 1165 OE1 GLN A 77 15.159 7.940 -3.772 1.00 54.35 O ATOM 1166 NE2 GLN A 77 16.099 6.229 -2.714 1.00 65.53 N ATOM 0 H GLN A 77 12.161 4.034 -5.442 1.00 34.23 H new ATOM 0 HA GLN A 77 12.877 6.557 -4.064 1.00 51.31 H new ATOM 0 HB2 GLN A 77 14.040 5.507 -6.685 1.00 13.23 H new ATOM 0 HB3 GLN A 77 14.138 7.188 -6.199 1.00 13.23 H new ATOM 0 HG2 GLN A 77 15.346 4.820 -4.692 1.00 44.22 H new ATOM 0 HG3 GLN A 77 16.232 5.974 -5.669 1.00 44.22 H new ATOM 0 HE21 GLN A 77 16.413 5.259 -2.739 1.00 65.53 H new ATOM 0 HE22 GLN A 77 16.213 6.781 -1.864 1.00 65.53 H new ATOM 1175 N LEU A 78 11.416 7.940 -5.593 1.00 44.24 N ATOM 1176 CA LEU A 78 10.386 8.767 -6.249 1.00 21.22 C ATOM 1177 C LEU A 78 10.568 8.670 -7.777 1.00 43.43 C ATOM 1178 O LEU A 78 9.595 8.666 -8.526 1.00 41.43 O ATOM 1179 CB LEU A 78 10.534 10.244 -5.745 1.00 14.23 C ATOM 1180 CG LEU A 78 9.279 11.196 -5.783 1.00 15.05 C ATOM 1181 CD1 LEU A 78 9.662 12.613 -5.320 1.00 34.43 C ATOM 1182 CD2 LEU A 78 8.579 11.267 -7.154 1.00 45.24 C ATOM 0 H LEU A 78 12.028 8.484 -4.985 1.00 44.24 H new ATOM 0 HA LEU A 78 9.384 8.417 -6.002 1.00 21.22 H new ATOM 0 HB2 LEU A 78 10.886 10.206 -4.714 1.00 14.23 H new ATOM 0 HB3 LEU A 78 11.321 10.715 -6.334 1.00 14.23 H new ATOM 0 HG LEU A 78 8.559 10.754 -5.095 1.00 15.05 H new ATOM 0 HD11 LEU A 78 8.783 13.257 -5.353 1.00 34.43 H new ATOM 0 HD12 LEU A 78 10.044 12.572 -4.300 1.00 34.43 H new ATOM 0 HD13 LEU A 78 10.431 13.016 -5.979 1.00 34.43 H new ATOM 0 HD21 LEU A 78 7.726 11.943 -7.093 1.00 45.24 H new ATOM 0 HD22 LEU A 78 9.281 11.635 -7.902 1.00 45.24 H new ATOM 0 HD23 LEU A 78 8.234 10.273 -7.438 1.00 45.24 H new ATOM 1194 N SER A 79 11.842 8.586 -8.199 1.00 25.13 N ATOM 1195 CA SER A 79 12.247 8.386 -9.600 1.00 0.45 C ATOM 1196 C SER A 79 11.497 7.193 -10.233 1.00 13.22 C ATOM 1197 O SER A 79 10.953 7.294 -11.337 1.00 11.33 O ATOM 1198 CB SER A 79 13.773 8.147 -9.648 1.00 20.11 C ATOM 1199 OG SER A 79 14.473 9.146 -8.921 1.00 63.51 O ATOM 0 H SER A 79 12.635 8.657 -7.561 1.00 25.13 H new ATOM 0 HA SER A 79 11.992 9.276 -10.175 1.00 0.45 H new ATOM 0 HB2 SER A 79 14.003 7.165 -9.235 1.00 20.11 H new ATOM 0 HB3 SER A 79 14.111 8.144 -10.684 1.00 20.11 H new ATOM 0 HG SER A 79 15.436 8.969 -8.967 1.00 63.51 H new ATOM 1205 N ASP A 80 11.454 6.085 -9.472 1.00 1.33 N ATOM 1206 CA ASP A 80 10.776 4.839 -9.867 1.00 30.24 C ATOM 1207 C ASP A 80 9.247 4.954 -9.732 1.00 73.44 C ATOM 1208 O ASP A 80 8.527 4.244 -10.409 1.00 53.41 O ATOM 1209 CB ASP A 80 11.317 3.645 -9.032 1.00 53.05 C ATOM 1210 CG ASP A 80 12.778 3.299 -9.363 1.00 53.20 C ATOM 1211 OD1 ASP A 80 13.693 3.956 -8.822 1.00 52.33 O ATOM 1212 OD2 ASP A 80 13.014 2.405 -10.212 1.00 10.01 O1- ATOM 0 H ASP A 80 11.895 6.030 -8.554 1.00 1.33 H new ATOM 0 HA ASP A 80 10.994 4.659 -10.920 1.00 30.24 H new ATOM 0 HB2 ASP A 80 11.236 3.883 -7.971 1.00 53.05 H new ATOM 0 HB3 ASP A 80 10.692 2.770 -9.211 1.00 53.05 H new ATOM 1217 N LEU A 81 8.760 5.834 -8.831 1.00 74.15 N ATOM 1218 CA LEU A 81 7.301 6.110 -8.670 1.00 5.11 C ATOM 1219 C LEU A 81 6.747 6.937 -9.842 1.00 21.15 C ATOM 1220 O LEU A 81 5.573 6.819 -10.186 1.00 13.13 O ATOM 1221 CB LEU A 81 7.006 6.827 -7.300 1.00 54.12 C ATOM 1222 CG LEU A 81 6.490 5.904 -6.155 1.00 51.30 C ATOM 1223 CD1 LEU A 81 6.388 6.660 -4.821 1.00 0.24 C ATOM 1224 CD2 LEU A 81 5.129 5.263 -6.523 1.00 3.20 C ATOM 0 H LEU A 81 9.352 6.371 -8.198 1.00 74.15 H new ATOM 0 HA LEU A 81 6.790 5.147 -8.670 1.00 5.11 H new ATOM 0 HB2 LEU A 81 7.919 7.318 -6.963 1.00 54.12 H new ATOM 0 HB3 LEU A 81 6.268 7.610 -7.472 1.00 54.12 H new ATOM 0 HG LEU A 81 7.222 5.106 -6.031 1.00 51.30 H new ATOM 0 HD11 LEU A 81 6.025 5.984 -4.047 1.00 0.24 H new ATOM 0 HD12 LEU A 81 7.371 7.038 -4.541 1.00 0.24 H new ATOM 0 HD13 LEU A 81 5.695 7.495 -4.928 1.00 0.24 H new ATOM 0 HD21 LEU A 81 4.794 4.625 -5.705 1.00 3.20 H new ATOM 0 HD22 LEU A 81 4.392 6.047 -6.696 1.00 3.20 H new ATOM 0 HD23 LEU A 81 5.241 4.665 -7.427 1.00 3.20 H new ATOM 1236 N PHE A 82 7.589 7.791 -10.430 1.00 24.12 N ATOM 1237 CA PHE A 82 7.187 8.674 -11.539 1.00 60.00 C ATOM 1238 C PHE A 82 7.331 7.924 -12.880 1.00 71.45 C ATOM 1239 O PHE A 82 6.499 8.067 -13.780 1.00 4.01 O ATOM 1240 CB PHE A 82 8.042 9.968 -11.507 1.00 43.43 C ATOM 1241 CG PHE A 82 7.442 11.123 -12.308 1.00 12.01 C ATOM 1242 CD1 PHE A 82 6.451 11.934 -11.744 1.00 13.30 C ATOM 1243 CD2 PHE A 82 7.853 11.398 -13.614 1.00 61.11 C ATOM 1244 CE1 PHE A 82 5.896 12.981 -12.458 1.00 43.04 C ATOM 1245 CE2 PHE A 82 7.297 12.445 -14.325 1.00 71.25 C ATOM 1246 CZ PHE A 82 6.320 13.236 -13.747 1.00 71.24 C ATOM 0 H PHE A 82 8.566 7.893 -10.155 1.00 24.12 H new ATOM 0 HA PHE A 82 6.141 8.960 -11.430 1.00 60.00 H new ATOM 0 HB2 PHE A 82 8.168 10.283 -10.471 1.00 43.43 H new ATOM 0 HB3 PHE A 82 9.036 9.746 -11.896 1.00 43.43 H new ATOM 0 HD1 PHE A 82 6.114 11.740 -10.736 1.00 13.30 H new ATOM 0 HD2 PHE A 82 8.614 10.785 -14.074 1.00 61.11 H new ATOM 0 HE1 PHE A 82 5.132 13.598 -12.008 1.00 43.04 H new ATOM 0 HE2 PHE A 82 7.626 12.646 -15.334 1.00 71.25 H new ATOM 0 HZ PHE A 82 5.888 14.054 -14.305 1.00 71.24 H new ATOM 1256 N ASN A 83 8.404 7.118 -12.983 1.00 71.43 N ATOM 1257 CA ASN A 83 8.697 6.274 -14.163 1.00 50.35 C ATOM 1258 C ASN A 83 7.763 5.036 -14.202 1.00 43.32 C ATOM 1259 O ASN A 83 7.439 4.517 -15.276 1.00 2.43 O ATOM 1260 CB ASN A 83 10.196 5.851 -14.117 1.00 25.24 C ATOM 1261 CG ASN A 83 10.678 5.043 -15.333 1.00 54.41 C ATOM 1262 OD1 ASN A 83 10.163 5.174 -16.440 1.00 3.24 O ATOM 1263 ND2 ASN A 83 11.696 4.228 -15.140 1.00 11.23 N ATOM 0 H ASN A 83 9.101 7.031 -12.243 1.00 71.43 H new ATOM 0 HA ASN A 83 8.513 6.842 -15.075 1.00 50.35 H new ATOM 0 HB2 ASN A 83 10.809 6.748 -14.029 1.00 25.24 H new ATOM 0 HB3 ASN A 83 10.364 5.260 -13.217 1.00 25.24 H new ATOM 0 HD21 ASN A 83 12.073 3.689 -15.920 1.00 11.23 H new ATOM 0 HD22 ASN A 83 12.107 4.136 -14.211 1.00 11.23 H new ATOM 1270 N HIS A 84 7.345 4.572 -13.008 1.00 15.15 N ATOM 1271 CA HIS A 84 6.407 3.435 -12.846 1.00 42.10 C ATOM 1272 C HIS A 84 5.320 3.843 -11.822 1.00 13.12 C ATOM 1273 O HIS A 84 5.433 3.506 -10.633 1.00 54.15 O ATOM 1274 CB HIS A 84 7.145 2.154 -12.359 1.00 72.20 C ATOM 1275 CG HIS A 84 8.370 1.761 -13.143 1.00 43.14 C ATOM 1276 ND1 HIS A 84 8.387 0.733 -14.059 1.00 55.03 N ATOM 1277 CD2 HIS A 84 9.635 2.252 -13.122 1.00 43.43 C ATOM 1278 CE1 HIS A 84 9.600 0.611 -14.555 1.00 31.22 C ATOM 1279 NE2 HIS A 84 10.369 1.517 -14.006 1.00 32.13 N ATOM 0 H HIS A 84 7.648 4.975 -12.122 1.00 15.15 H new ATOM 0 HA HIS A 84 5.956 3.204 -13.811 1.00 42.10 H new ATOM 0 HB2 HIS A 84 7.435 2.299 -11.318 1.00 72.20 H new ATOM 0 HB3 HIS A 84 6.441 1.322 -12.381 1.00 72.20 H new ATOM 0 HD2 HIS A 84 9.994 3.072 -12.518 1.00 43.43 H new ATOM 0 HE1 HIS A 84 9.909 -0.115 -15.292 1.00 31.22 H new ATOM 0 HE2 HIS A 84 11.360 1.652 -14.207 1.00 32.13 H new ATOM 1288 N PRO A 85 4.293 4.647 -12.248 1.00 12.11 N ATOM 1289 CA PRO A 85 3.239 5.153 -11.334 1.00 14.33 C ATOM 1290 C PRO A 85 2.332 4.055 -10.748 1.00 63.32 C ATOM 1291 O PRO A 85 1.855 4.209 -9.618 1.00 54.33 O ATOM 1292 CB PRO A 85 2.450 6.173 -12.197 1.00 72.15 C ATOM 1293 CG PRO A 85 3.335 6.455 -13.378 1.00 11.34 C ATOM 1294 CD PRO A 85 4.093 5.171 -13.621 1.00 63.43 C ATOM 0 HA PRO A 85 3.676 5.600 -10.441 1.00 14.33 H new ATOM 0 HB2 PRO A 85 1.490 5.763 -12.513 1.00 72.15 H new ATOM 0 HB3 PRO A 85 2.239 7.084 -11.636 1.00 72.15 H new ATOM 0 HG2 PRO A 85 2.748 6.737 -14.252 1.00 11.34 H new ATOM 0 HG3 PRO A 85 4.016 7.281 -13.172 1.00 11.34 H new ATOM 0 HD2 PRO A 85 3.526 4.477 -14.241 1.00 63.43 H new ATOM 0 HD3 PRO A 85 5.041 5.350 -14.128 1.00 63.43 H new ATOM 1302 N ARG A 86 2.091 2.950 -11.512 1.00 35.33 N ATOM 1303 CA ARG A 86 1.301 1.806 -10.993 1.00 52.33 C ATOM 1304 C ARG A 86 1.990 1.148 -9.789 1.00 60.22 C ATOM 1305 O ARG A 86 3.217 1.142 -9.678 1.00 45.42 O ATOM 1306 CB ARG A 86 0.990 0.712 -12.056 1.00 5.20 C ATOM 1307 CG ARG A 86 -0.251 0.968 -12.941 1.00 44.40 C ATOM 1308 CD ARG A 86 0.021 1.814 -14.170 1.00 74.33 C ATOM 1309 NE ARG A 86 0.927 1.121 -15.101 1.00 11.24 N ATOM 1310 CZ ARG A 86 0.535 0.441 -16.190 1.00 15.32 C ATOM 1311 NH1 ARG A 86 -0.758 0.352 -16.513 1.00 11.03 N1+ ATOM 1312 NH2 ARG A 86 1.439 -0.187 -16.921 1.00 51.52 N ATOM 0 H ARG A 86 2.427 2.833 -12.468 1.00 35.33 H new ATOM 0 HA ARG A 86 0.350 2.245 -10.691 1.00 52.33 H new ATOM 0 HB2 ARG A 86 1.859 0.605 -12.705 1.00 5.20 H new ATOM 0 HB3 ARG A 86 0.856 -0.240 -11.542 1.00 5.20 H new ATOM 0 HG2 ARG A 86 -0.660 0.009 -13.258 1.00 44.40 H new ATOM 0 HG3 ARG A 86 -1.017 1.458 -12.339 1.00 44.40 H new ATOM 0 HD2 ARG A 86 -0.918 2.042 -14.674 1.00 74.33 H new ATOM 0 HD3 ARG A 86 0.461 2.765 -13.870 1.00 74.33 H new ATOM 0 HE ARG A 86 1.927 1.161 -14.904 1.00 11.24 H new ATOM 0 HH11 ARG A 86 -1.462 0.804 -15.929 1.00 11.03 H new ATOM 0 HH12 ARG A 86 -1.042 -0.168 -17.343 1.00 11.03 H new ATOM 0 HH21 ARG A 86 2.423 -0.152 -16.656 1.00 51.52 H new ATOM 0 HH22 ARG A 86 1.153 -0.707 -17.751 1.00 51.52 H new ATOM 1326 N LEU A 87 1.149 0.562 -8.934 1.00 52.23 N ATOM 1327 CA LEU A 87 1.543 -0.093 -7.687 1.00 35.35 C ATOM 1328 C LEU A 87 2.464 -1.298 -7.962 1.00 4.43 C ATOM 1329 O LEU A 87 3.544 -1.398 -7.372 1.00 70.10 O ATOM 1330 CB LEU A 87 0.235 -0.474 -6.930 1.00 71.12 C ATOM 1331 CG LEU A 87 0.358 -1.032 -5.468 1.00 12.14 C ATOM 1332 CD1 LEU A 87 -0.935 -0.762 -4.664 1.00 51.01 C ATOM 1333 CD2 LEU A 87 0.693 -2.543 -5.448 1.00 40.12 C ATOM 0 H LEU A 87 0.143 0.530 -9.097 1.00 52.23 H new ATOM 0 HA LEU A 87 2.133 0.574 -7.058 1.00 35.35 H new ATOM 0 HB2 LEU A 87 -0.399 0.412 -6.896 1.00 71.12 H new ATOM 0 HB3 LEU A 87 -0.290 -1.219 -7.527 1.00 71.12 H new ATOM 0 HG LEU A 87 1.186 -0.503 -4.995 1.00 12.14 H new ATOM 0 HD11 LEU A 87 -0.825 -1.158 -3.654 1.00 51.01 H new ATOM 0 HD12 LEU A 87 -1.115 0.312 -4.615 1.00 51.01 H new ATOM 0 HD13 LEU A 87 -1.777 -1.249 -5.155 1.00 51.01 H new ATOM 0 HD21 LEU A 87 0.768 -2.885 -4.416 1.00 40.12 H new ATOM 0 HD22 LEU A 87 -0.095 -3.097 -5.957 1.00 40.12 H new ATOM 0 HD23 LEU A 87 1.642 -2.712 -5.957 1.00 40.12 H new ATOM 1345 N ALA A 88 2.028 -2.192 -8.872 1.00 11.20 N ATOM 1346 CA ALA A 88 2.779 -3.413 -9.223 1.00 54.51 C ATOM 1347 C ALA A 88 4.023 -3.077 -10.057 1.00 72.31 C ATOM 1348 O ALA A 88 5.083 -3.677 -9.867 1.00 71.01 O ATOM 1349 CB ALA A 88 1.879 -4.405 -9.970 1.00 4.35 C ATOM 0 H ALA A 88 1.150 -2.089 -9.381 1.00 11.20 H new ATOM 0 HA ALA A 88 3.113 -3.880 -8.296 1.00 54.51 H new ATOM 0 HB1 ALA A 88 2.451 -5.298 -10.220 1.00 4.35 H new ATOM 0 HB2 ALA A 88 1.036 -4.680 -9.336 1.00 4.35 H new ATOM 0 HB3 ALA A 88 1.510 -3.943 -10.885 1.00 4.35 H new ATOM 1355 N ASP A 89 3.877 -2.094 -10.965 1.00 21.05 N ATOM 1356 CA ASP A 89 4.978 -1.617 -11.825 1.00 73.42 C ATOM 1357 C ASP A 89 6.130 -1.042 -10.974 1.00 74.44 C ATOM 1358 O ASP A 89 7.310 -1.199 -11.315 1.00 30.21 O ATOM 1359 CB ASP A 89 4.458 -0.547 -12.828 1.00 52.41 C ATOM 1360 CG ASP A 89 3.491 -1.101 -13.900 1.00 34.03 C ATOM 1361 OD1 ASP A 89 2.493 -1.772 -13.540 1.00 34.35 O ATOM 1362 OD2 ASP A 89 3.705 -0.848 -15.107 1.00 52.34 O1- ATOM 0 H ASP A 89 2.994 -1.608 -11.124 1.00 21.05 H new ATOM 0 HA ASP A 89 5.363 -2.467 -12.389 1.00 73.42 H new ATOM 0 HB2 ASP A 89 3.952 0.242 -12.271 1.00 52.41 H new ATOM 0 HB3 ASP A 89 5.311 -0.088 -13.327 1.00 52.41 H new ATOM 1367 N PHE A 90 5.760 -0.370 -9.869 1.00 40.31 N ATOM 1368 CA PHE A 90 6.709 0.194 -8.893 1.00 64.41 C ATOM 1369 C PHE A 90 7.309 -0.915 -8.004 1.00 55.44 C ATOM 1370 O PHE A 90 8.508 -0.903 -7.711 1.00 71.35 O ATOM 1371 CB PHE A 90 6.008 1.273 -8.028 1.00 13.53 C ATOM 1372 CG PHE A 90 6.900 1.919 -6.966 1.00 70.33 C ATOM 1373 CD1 PHE A 90 6.517 1.961 -5.623 1.00 34.25 C ATOM 1374 CD2 PHE A 90 8.139 2.469 -7.313 1.00 61.20 C ATOM 1375 CE1 PHE A 90 7.340 2.534 -4.675 1.00 71.14 C ATOM 1376 CE2 PHE A 90 8.954 3.041 -6.356 1.00 55.13 C ATOM 1377 CZ PHE A 90 8.555 3.067 -5.041 1.00 2.52 C ATOM 0 H PHE A 90 4.784 -0.202 -9.626 1.00 40.31 H new ATOM 0 HA PHE A 90 7.527 0.663 -9.439 1.00 64.41 H new ATOM 0 HB2 PHE A 90 5.625 2.054 -8.685 1.00 13.53 H new ATOM 0 HB3 PHE A 90 5.148 0.821 -7.535 1.00 13.53 H new ATOM 0 HD1 PHE A 90 5.568 1.541 -5.324 1.00 34.25 H new ATOM 0 HD2 PHE A 90 8.462 2.446 -8.343 1.00 61.20 H new ATOM 0 HE1 PHE A 90 7.029 2.564 -3.641 1.00 71.14 H new ATOM 0 HE2 PHE A 90 9.904 3.468 -6.641 1.00 55.13 H new ATOM 0 HZ PHE A 90 9.197 3.507 -4.292 1.00 2.52 H new ATOM 1387 N ALA A 91 6.466 -1.876 -7.596 1.00 44.42 N ATOM 1388 CA ALA A 91 6.875 -3.002 -6.731 1.00 12.33 C ATOM 1389 C ALA A 91 7.958 -3.879 -7.404 1.00 0.10 C ATOM 1390 O ALA A 91 8.856 -4.395 -6.733 1.00 73.13 O ATOM 1391 CB ALA A 91 5.644 -3.842 -6.365 1.00 43.22 C ATOM 0 H ALA A 91 5.480 -1.898 -7.855 1.00 44.42 H new ATOM 0 HA ALA A 91 7.316 -2.593 -5.822 1.00 12.33 H new ATOM 0 HB1 ALA A 91 5.947 -4.672 -5.727 1.00 43.22 H new ATOM 0 HB2 ALA A 91 4.924 -3.220 -5.834 1.00 43.22 H new ATOM 0 HB3 ALA A 91 5.186 -4.231 -7.274 1.00 43.22 H new ATOM 1397 N ALA A 92 7.861 -4.009 -8.740 1.00 44.44 N ATOM 1398 CA ALA A 92 8.765 -4.859 -9.545 1.00 0.22 C ATOM 1399 C ALA A 92 10.098 -4.156 -9.863 1.00 24.23 C ATOM 1400 O ALA A 92 11.151 -4.809 -9.925 1.00 22.24 O ATOM 1401 CB ALA A 92 8.061 -5.260 -10.848 1.00 12.21 C ATOM 0 H ALA A 92 7.153 -3.528 -9.295 1.00 44.44 H new ATOM 0 HA ALA A 92 9.001 -5.745 -8.956 1.00 0.22 H new ATOM 0 HB1 ALA A 92 8.726 -5.887 -11.443 1.00 12.21 H new ATOM 0 HB2 ALA A 92 7.152 -5.814 -10.615 1.00 12.21 H new ATOM 0 HB3 ALA A 92 7.804 -4.364 -11.414 1.00 12.21 H new ATOM 1407 N THR A 93 10.036 -2.827 -10.092 1.00 0.21 N ATOM 1408 CA THR A 93 11.214 -2.034 -10.513 1.00 51.10 C ATOM 1409 C THR A 93 12.201 -1.807 -9.352 1.00 21.53 C ATOM 1410 O THR A 93 13.404 -1.618 -9.578 1.00 35.52 O ATOM 1411 CB THR A 93 10.798 -0.660 -11.132 1.00 63.43 C ATOM 1412 OG1 THR A 93 11.935 -0.011 -11.732 1.00 62.22 O ATOM 1413 CG2 THR A 93 10.176 0.295 -10.109 1.00 1.34 C ATOM 0 H THR A 93 9.182 -2.279 -9.993 1.00 0.21 H new ATOM 0 HA THR A 93 11.717 -2.621 -11.281 1.00 51.10 H new ATOM 0 HB THR A 93 10.043 -0.887 -11.885 1.00 63.43 H new ATOM 0 HG1 THR A 93 11.640 0.520 -12.501 1.00 62.22 H new ATOM 0 HG21 THR A 93 9.909 1.231 -10.600 1.00 1.34 H new ATOM 0 HG22 THR A 93 9.281 -0.160 -9.684 1.00 1.34 H new ATOM 0 HG23 THR A 93 10.895 0.495 -9.314 1.00 1.34 H new ATOM 1421 N LEU A 94 11.685 -1.826 -8.106 1.00 22.25 N ATOM 1422 CA LEU A 94 12.508 -1.561 -6.918 1.00 5.30 C ATOM 1423 C LEU A 94 13.187 -2.858 -6.449 1.00 63.41 C ATOM 1424 O LEU A 94 12.701 -3.963 -6.724 1.00 51.23 O ATOM 1425 CB LEU A 94 11.654 -0.877 -5.793 1.00 35.43 C ATOM 1426 CG LEU A 94 10.493 -1.702 -5.109 1.00 1.41 C ATOM 1427 CD1 LEU A 94 11.005 -2.700 -4.035 1.00 10.34 C ATOM 1428 CD2 LEU A 94 9.427 -0.761 -4.494 1.00 72.11 C ATOM 0 H LEU A 94 10.705 -2.022 -7.901 1.00 22.25 H new ATOM 0 HA LEU A 94 13.300 -0.858 -7.173 1.00 5.30 H new ATOM 0 HB2 LEU A 94 12.339 -0.558 -5.007 1.00 35.43 H new ATOM 0 HB3 LEU A 94 11.212 0.025 -6.217 1.00 35.43 H new ATOM 0 HG LEU A 94 10.037 -2.292 -5.904 1.00 1.41 H new ATOM 0 HD11 LEU A 94 10.159 -3.235 -3.603 1.00 10.34 H new ATOM 0 HD12 LEU A 94 11.688 -3.413 -4.497 1.00 10.34 H new ATOM 0 HD13 LEU A 94 11.528 -2.153 -3.250 1.00 10.34 H new ATOM 0 HD21 LEU A 94 8.640 -1.356 -4.030 1.00 72.11 H new ATOM 0 HD22 LEU A 94 9.893 -0.126 -3.741 1.00 72.11 H new ATOM 0 HD23 LEU A 94 8.996 -0.138 -5.278 1.00 72.11 H new ATOM 1440 N ARG A 95 14.317 -2.709 -5.753 1.00 33.33 N ATOM 1441 CA ARG A 95 15.070 -3.824 -5.136 1.00 42.55 C ATOM 1442 C ARG A 95 14.941 -3.730 -3.606 1.00 0.13 C ATOM 1443 O ARG A 95 14.396 -2.758 -3.095 1.00 74.40 O ATOM 1444 CB ARG A 95 16.569 -3.799 -5.574 1.00 11.44 C ATOM 1445 CG ARG A 95 16.840 -4.218 -7.049 1.00 3.42 C ATOM 1446 CD ARG A 95 16.407 -3.181 -8.120 1.00 31.42 C ATOM 1447 NE ARG A 95 16.537 -3.723 -9.486 1.00 14.40 N ATOM 1448 CZ ARG A 95 16.392 -3.022 -10.625 1.00 34.01 C ATOM 1449 NH1 ARG A 95 16.120 -1.719 -10.613 1.00 45.31 N1+ ATOM 1450 NH2 ARG A 95 16.502 -3.649 -11.784 1.00 30.53 N ATOM 0 H ARG A 95 14.748 -1.798 -5.595 1.00 33.33 H new ATOM 0 HA ARG A 95 14.651 -4.771 -5.475 1.00 42.55 H new ATOM 0 HB2 ARG A 95 16.958 -2.792 -5.423 1.00 11.44 H new ATOM 0 HB3 ARG A 95 17.133 -4.460 -4.917 1.00 11.44 H new ATOM 0 HG2 ARG A 95 17.906 -4.413 -7.165 1.00 3.42 H new ATOM 0 HG3 ARG A 95 16.322 -5.157 -7.245 1.00 3.42 H new ATOM 0 HD2 ARG A 95 15.373 -2.884 -7.943 1.00 31.42 H new ATOM 0 HD3 ARG A 95 17.017 -2.283 -8.025 1.00 31.42 H new ATOM 0 HE ARG A 95 16.756 -4.715 -9.574 1.00 14.40 H new ATOM 0 HH11 ARG A 95 16.016 -1.228 -9.725 1.00 45.31 H new ATOM 0 HH12 ARG A 95 16.015 -1.212 -11.492 1.00 45.31 H new ATOM 0 HH21 ARG A 95 16.694 -4.650 -11.806 1.00 30.53 H new ATOM 0 HH22 ARG A 95 16.395 -3.131 -12.656 1.00 30.53 H new ATOM 1464 N LYS A 96 15.411 -4.761 -2.884 1.00 73.11 N ATOM 1465 CA LYS A 96 15.434 -4.756 -1.409 1.00 72.24 C ATOM 1466 C LYS A 96 16.658 -3.969 -0.911 1.00 33.53 C ATOM 1467 O LYS A 96 17.680 -3.900 -1.609 1.00 35.13 O ATOM 1468 CB LYS A 96 15.457 -6.210 -0.872 1.00 3.24 C ATOM 1469 CG LYS A 96 14.269 -7.072 -1.347 1.00 43.30 C ATOM 1470 CD LYS A 96 14.283 -8.500 -0.753 1.00 3.25 C ATOM 1471 CE LYS A 96 13.101 -9.352 -1.242 1.00 62.43 C ATOM 1472 NZ LYS A 96 13.060 -10.693 -0.591 1.00 22.24 N1+ ATOM 0 H LYS A 96 15.783 -5.615 -3.300 1.00 73.11 H new ATOM 0 HA LYS A 96 14.533 -4.269 -1.035 1.00 72.24 H new ATOM 0 HB2 LYS A 96 16.386 -6.687 -1.183 1.00 3.24 H new ATOM 0 HB3 LYS A 96 15.461 -6.184 0.218 1.00 3.24 H new ATOM 0 HG2 LYS A 96 13.337 -6.579 -1.072 1.00 43.30 H new ATOM 0 HG3 LYS A 96 14.286 -7.137 -2.435 1.00 43.30 H new ATOM 0 HD2 LYS A 96 15.218 -8.993 -1.021 1.00 3.25 H new ATOM 0 HD3 LYS A 96 14.257 -8.438 0.335 1.00 3.25 H new ATOM 0 HE2 LYS A 96 12.169 -8.825 -1.041 1.00 62.43 H new ATOM 0 HE3 LYS A 96 13.169 -9.477 -2.323 1.00 62.43 H new ATOM 0 HZ1 LYS A 96 12.246 -11.230 -0.953 1.00 22.24 H new ATOM 0 HZ2 LYS A 96 13.938 -11.209 -0.804 1.00 22.24 H new ATOM 0 HZ3 LYS A 96 12.968 -10.577 0.438 1.00 22.24 H new ATOM 1486 N THR A 97 16.536 -3.378 0.293 1.00 64.33 N ATOM 1487 CA THR A 97 17.611 -2.582 0.921 1.00 24.42 C ATOM 1488 C THR A 97 18.738 -3.517 1.427 1.00 43.32 C ATOM 1489 O THR A 97 18.508 -4.723 1.596 1.00 4.33 O ATOM 1490 CB THR A 97 17.045 -1.724 2.118 1.00 24.15 C ATOM 1491 OG1 THR A 97 15.740 -1.246 1.783 1.00 55.25 O ATOM 1492 CG2 THR A 97 17.918 -0.499 2.441 1.00 60.14 C ATOM 0 H THR A 97 15.689 -3.438 0.859 1.00 64.33 H new ATOM 0 HA THR A 97 18.018 -1.903 0.172 1.00 24.42 H new ATOM 0 HB THR A 97 17.030 -2.378 2.990 1.00 24.15 H new ATOM 0 HG1 THR A 97 15.386 -0.714 2.526 1.00 55.25 H new ATOM 0 HG21 THR A 97 17.478 0.052 3.272 1.00 60.14 H new ATOM 0 HG22 THR A 97 18.921 -0.828 2.714 1.00 60.14 H new ATOM 0 HG23 THR A 97 17.974 0.149 1.566 1.00 60.14 H new ATOM 1500 N ASP A 98 19.946 -2.965 1.669 1.00 13.43 N ATOM 1501 CA ASP A 98 21.080 -3.736 2.236 1.00 60.15 C ATOM 1502 C ASP A 98 20.743 -4.234 3.652 1.00 31.32 C ATOM 1503 O ASP A 98 20.016 -3.555 4.389 1.00 53.53 O ATOM 1504 CB ASP A 98 22.371 -2.875 2.297 1.00 74.25 C ATOM 1505 CG ASP A 98 22.850 -2.408 0.916 1.00 50.34 C ATOM 1506 OD1 ASP A 98 22.465 -1.295 0.490 1.00 10.20 O ATOM 1507 OD2 ASP A 98 23.600 -3.160 0.243 1.00 61.42 O1- ATOM 0 H ASP A 98 20.164 -1.986 1.481 1.00 13.43 H new ATOM 0 HA ASP A 98 21.253 -4.589 1.579 1.00 60.15 H new ATOM 0 HB2 ASP A 98 22.190 -2.003 2.926 1.00 74.25 H new ATOM 0 HB3 ASP A 98 23.163 -3.452 2.773 1.00 74.25 H new ATOM 1512 N VAL A 99 21.259 -5.419 4.021 1.00 31.13 N ATOM 1513 CA VAL A 99 21.167 -5.920 5.403 1.00 65.52 C ATOM 1514 C VAL A 99 22.081 -5.056 6.317 1.00 12.14 C ATOM 1515 O VAL A 99 23.225 -4.772 5.948 1.00 4.43 O ATOM 1516 CB VAL A 99 21.533 -7.461 5.514 1.00 33.23 C ATOM 1517 CG1 VAL A 99 20.521 -8.331 4.728 1.00 25.02 C ATOM 1518 CG2 VAL A 99 22.992 -7.754 5.067 1.00 3.55 C ATOM 0 H VAL A 99 21.744 -6.048 3.381 1.00 31.13 H new ATOM 0 HA VAL A 99 20.132 -5.832 5.733 1.00 65.52 H new ATOM 0 HB VAL A 99 21.466 -7.729 6.568 1.00 33.23 H new ATOM 0 HG11 VAL A 99 20.795 -9.382 4.821 1.00 25.02 H new ATOM 0 HG12 VAL A 99 19.520 -8.180 5.133 1.00 25.02 H new ATOM 0 HG13 VAL A 99 20.534 -8.044 3.676 1.00 25.02 H new ATOM 0 HG21 VAL A 99 23.194 -8.821 5.161 1.00 3.55 H new ATOM 0 HG22 VAL A 99 23.122 -7.450 4.028 1.00 3.55 H new ATOM 0 HG23 VAL A 99 23.685 -7.197 5.698 1.00 3.55 H new ATOM 1528 N PRO A 100 21.589 -4.607 7.514 1.00 61.44 N ATOM 1529 CA PRO A 100 22.350 -3.687 8.406 1.00 24.42 C ATOM 1530 C PRO A 100 23.398 -4.405 9.297 1.00 63.12 C ATOM 1531 O PRO A 100 23.808 -3.850 10.326 1.00 61.40 O ATOM 1532 CB PRO A 100 21.214 -3.041 9.234 1.00 52.44 C ATOM 1533 CG PRO A 100 20.189 -4.127 9.375 1.00 22.32 C ATOM 1534 CD PRO A 100 20.254 -4.940 8.093 1.00 64.13 C ATOM 0 HA PRO A 100 22.963 -2.974 7.856 1.00 24.42 H new ATOM 0 HB2 PRO A 100 21.573 -2.705 10.207 1.00 52.44 H new ATOM 0 HB3 PRO A 100 20.801 -2.168 8.728 1.00 52.44 H new ATOM 0 HG2 PRO A 100 20.400 -4.751 10.243 1.00 22.32 H new ATOM 0 HG3 PRO A 100 19.194 -3.707 9.519 1.00 22.32 H new ATOM 0 HD2 PRO A 100 20.162 -6.007 8.294 1.00 64.13 H new ATOM 0 HD3 PRO A 100 19.447 -4.673 7.411 1.00 64.13 H new ATOM 1542 N VAL A 101 23.846 -5.608 8.846 1.00 43.40 N ATOM 1543 CA VAL A 101 24.831 -6.471 9.540 1.00 43.03 C ATOM 1544 C VAL A 101 24.329 -6.826 10.955 1.00 52.41 C ATOM 1545 O VAL A 101 24.575 -6.093 11.921 1.00 22.31 O ATOM 1546 CB VAL A 101 26.286 -5.852 9.586 1.00 54.54 C ATOM 1547 CG1 VAL A 101 27.321 -6.874 10.133 1.00 63.41 C ATOM 1548 CG2 VAL A 101 26.711 -5.309 8.201 1.00 52.22 C ATOM 0 H VAL A 101 23.521 -6.011 7.967 1.00 43.40 H new ATOM 0 HA VAL A 101 24.917 -7.385 8.952 1.00 43.03 H new ATOM 0 HB VAL A 101 26.261 -5.009 10.277 1.00 54.54 H new ATOM 0 HG11 VAL A 101 28.310 -6.416 10.151 1.00 63.41 H new ATOM 0 HG12 VAL A 101 27.040 -7.171 11.143 1.00 63.41 H new ATOM 0 HG13 VAL A 101 27.340 -7.753 9.489 1.00 63.41 H new ATOM 0 HG21 VAL A 101 27.715 -4.891 8.267 1.00 52.22 H new ATOM 0 HG22 VAL A 101 26.703 -6.121 7.474 1.00 52.22 H new ATOM 0 HG23 VAL A 101 26.014 -4.532 7.885 1.00 52.22 H new ATOM 1558 N GLU A 102 23.569 -7.923 11.052 1.00 11.53 N ATOM 1559 CA GLU A 102 22.901 -8.349 12.299 1.00 45.20 C ATOM 1560 C GLU A 102 23.502 -9.661 12.834 1.00 0.15 C ATOM 1561 O GLU A 102 23.048 -10.187 13.853 1.00 32.53 O ATOM 1562 CB GLU A 102 21.382 -8.479 12.035 1.00 64.02 C ATOM 1563 CG GLU A 102 20.737 -7.184 11.494 1.00 2.13 C ATOM 1564 CD GLU A 102 19.221 -7.295 11.283 1.00 15.11 C ATOM 1565 OE1 GLU A 102 18.463 -7.053 12.246 1.00 31.11 O ATOM 1566 OE2 GLU A 102 18.782 -7.620 10.157 1.00 51.53 O1- ATOM 0 H GLU A 102 23.396 -8.548 10.265 1.00 11.53 H new ATOM 0 HA GLU A 102 23.062 -7.598 13.072 1.00 45.20 H new ATOM 0 HB2 GLU A 102 21.213 -9.285 11.321 1.00 64.02 H new ATOM 0 HB3 GLU A 102 20.883 -8.764 12.961 1.00 64.02 H new ATOM 0 HG2 GLU A 102 20.940 -6.369 12.189 1.00 2.13 H new ATOM 0 HG3 GLU A 102 21.209 -6.921 10.547 1.00 2.13 H new ATOM 1573 N GLN A 103 24.526 -10.176 12.137 1.00 32.15 N ATOM 1574 CA GLN A 103 25.329 -11.324 12.593 1.00 22.24 C ATOM 1575 C GLN A 103 26.772 -10.831 12.865 1.00 63.24 C ATOM 1576 O GLN A 103 27.271 -9.966 12.123 1.00 25.43 O ATOM 1577 CB GLN A 103 25.325 -12.487 11.551 1.00 41.13 C ATOM 1578 CG GLN A 103 25.983 -12.199 10.182 1.00 14.23 C ATOM 1579 CD GLN A 103 25.156 -11.295 9.258 1.00 71.11 C ATOM 1580 OE1 GLN A 103 25.284 -10.069 9.266 1.00 23.31 O ATOM 1581 NE2 GLN A 103 24.277 -11.894 8.482 1.00 12.10 N ATOM 0 H GLN A 103 24.823 -9.806 11.234 1.00 32.15 H new ATOM 0 HA GLN A 103 24.891 -11.726 13.507 1.00 22.24 H new ATOM 0 HB2 GLN A 103 25.830 -13.344 11.997 1.00 41.13 H new ATOM 0 HB3 GLN A 103 24.291 -12.782 11.375 1.00 41.13 H new ATOM 0 HG2 GLN A 103 26.954 -11.734 10.350 1.00 14.23 H new ATOM 0 HG3 GLN A 103 26.166 -13.146 9.674 1.00 14.23 H new ATOM 0 HE21 GLN A 103 24.193 -12.910 8.496 1.00 12.10 H new ATOM 0 HE22 GLN A 103 23.680 -11.342 7.866 1.00 12.10 H new ATOM 1590 N PRO A 104 27.450 -11.322 13.957 1.00 23.33 N ATOM 1591 CA PRO A 104 28.839 -10.907 14.281 1.00 33.15 C ATOM 1592 C PRO A 104 29.836 -11.285 13.156 1.00 52.23 C ATOM 1593 O PRO A 104 30.340 -10.404 12.449 1.00 40.25 O ATOM 1594 CB PRO A 104 29.142 -11.644 15.621 1.00 1.23 C ATOM 1595 CG PRO A 104 28.149 -12.774 15.682 1.00 74.21 C ATOM 1596 CD PRO A 104 26.914 -12.281 14.964 1.00 64.31 C ATOM 0 HA PRO A 104 28.945 -9.826 14.373 1.00 33.15 H new ATOM 0 HB2 PRO A 104 30.166 -12.018 15.642 1.00 1.23 H new ATOM 0 HB3 PRO A 104 29.029 -10.974 16.473 1.00 1.23 H new ATOM 0 HG2 PRO A 104 28.547 -13.669 15.204 1.00 74.21 H new ATOM 0 HG3 PRO A 104 27.921 -13.038 16.715 1.00 74.21 H new ATOM 0 HD2 PRO A 104 26.373 -13.100 14.489 1.00 64.31 H new ATOM 0 HD3 PRO A 104 26.219 -11.795 15.649 1.00 64.31 H new ATOM 1604 N PHE A 105 30.087 -12.599 12.989 1.00 72.35 N ATOM 1605 CA PHE A 105 31.027 -13.146 11.982 1.00 11.24 C ATOM 1606 C PHE A 105 30.457 -14.460 11.411 1.00 14.14 C ATOM 1607 O PHE A 105 29.323 -14.832 11.744 1.00 74.34 O ATOM 1608 CB PHE A 105 32.438 -13.384 12.614 1.00 11.11 C ATOM 1609 CG PHE A 105 33.136 -12.115 13.126 1.00 44.11 C ATOM 1610 CD1 PHE A 105 33.853 -11.288 12.257 1.00 41.32 C ATOM 1611 CD2 PHE A 105 33.054 -11.738 14.469 1.00 44.30 C ATOM 1612 CE1 PHE A 105 34.471 -10.135 12.718 1.00 23.02 C ATOM 1613 CE2 PHE A 105 33.673 -10.585 14.925 1.00 34.45 C ATOM 1614 CZ PHE A 105 34.374 -9.784 14.048 1.00 62.41 C ATOM 0 H PHE A 105 29.639 -13.321 13.554 1.00 72.35 H new ATOM 0 HA PHE A 105 31.143 -12.425 11.173 1.00 11.24 H new ATOM 0 HB2 PHE A 105 32.336 -14.085 13.442 1.00 11.11 H new ATOM 0 HB3 PHE A 105 33.078 -13.859 11.871 1.00 11.11 H new ATOM 0 HD1 PHE A 105 33.927 -11.550 11.212 1.00 41.32 H new ATOM 0 HD2 PHE A 105 32.500 -12.354 15.162 1.00 44.30 H new ATOM 0 HE1 PHE A 105 35.029 -9.512 12.035 1.00 23.02 H new ATOM 0 HE2 PHE A 105 33.606 -10.313 15.968 1.00 34.45 H new ATOM 0 HZ PHE A 105 34.848 -8.881 14.403 1.00 62.41 H new ATOM 1624 N VAL A 106 31.251 -15.127 10.535 1.00 54.03 N ATOM 1625 CA VAL A 106 30.920 -16.440 9.919 1.00 35.31 C ATOM 1626 C VAL A 106 29.561 -16.393 9.175 1.00 54.03 C ATOM 1627 O VAL A 106 28.508 -16.727 9.740 1.00 61.12 O ATOM 1628 CB VAL A 106 30.953 -17.641 10.954 1.00 45.34 C ATOM 1629 CG1 VAL A 106 30.751 -19.009 10.248 1.00 53.25 C ATOM 1630 CG2 VAL A 106 32.263 -17.638 11.774 1.00 22.40 C ATOM 0 H VAL A 106 32.154 -14.763 10.231 1.00 54.03 H new ATOM 0 HA VAL A 106 31.707 -16.633 9.190 1.00 35.31 H new ATOM 0 HB VAL A 106 30.121 -17.496 11.643 1.00 45.34 H new ATOM 0 HG11 VAL A 106 30.780 -19.808 10.989 1.00 53.25 H new ATOM 0 HG12 VAL A 106 29.786 -19.018 9.741 1.00 53.25 H new ATOM 0 HG13 VAL A 106 31.546 -19.162 9.518 1.00 53.25 H new ATOM 0 HG21 VAL A 106 32.256 -18.473 12.475 1.00 22.40 H new ATOM 0 HG22 VAL A 106 33.114 -17.737 11.100 1.00 22.40 H new ATOM 0 HG23 VAL A 106 32.344 -16.702 12.326 1.00 22.40 H new ATOM 1640 N HIS A 107 29.602 -15.920 7.922 1.00 71.30 N ATOM 1641 CA HIS A 107 28.417 -15.810 7.047 1.00 75.43 C ATOM 1642 C HIS A 107 28.855 -15.707 5.572 1.00 23.22 C ATOM 1643 O HIS A 107 28.147 -16.176 4.678 1.00 74.11 O ATOM 1644 CB HIS A 107 27.558 -14.575 7.447 1.00 53.13 C ATOM 1645 CG HIS A 107 26.253 -14.440 6.694 1.00 0.43 C ATOM 1646 ND1 HIS A 107 25.802 -13.250 6.152 1.00 44.43 N ATOM 1647 CD2 HIS A 107 25.294 -15.357 6.401 1.00 12.51 C ATOM 1648 CE1 HIS A 107 24.632 -13.445 5.573 1.00 64.43 C ATOM 1649 NE2 HIS A 107 24.309 -14.708 5.710 1.00 61.24 N ATOM 0 H HIS A 107 30.463 -15.599 7.480 1.00 71.30 H new ATOM 0 HA HIS A 107 27.808 -16.706 7.169 1.00 75.43 H new ATOM 0 HB2 HIS A 107 27.342 -14.631 8.514 1.00 53.13 H new ATOM 0 HB3 HIS A 107 28.148 -13.673 7.288 1.00 53.13 H new ATOM 0 HD2 HIS A 107 25.307 -16.404 6.665 1.00 12.51 H new ATOM 0 HE1 HIS A 107 24.041 -12.692 5.072 1.00 64.43 H new ATOM 0 HE2 HIS A 107 23.455 -15.140 5.356 1.00 61.24 H new ATOM 1658 N SER A 108 30.032 -15.081 5.356 1.00 55.24 N ATOM 1659 CA SER A 108 30.627 -14.817 4.025 1.00 41.30 C ATOM 1660 C SER A 108 29.699 -13.886 3.193 1.00 52.03 C ATOM 1661 O SER A 108 28.967 -14.349 2.310 1.00 21.02 O ATOM 1662 CB SER A 108 30.982 -16.153 3.298 1.00 75.31 C ATOM 1663 OG SER A 108 31.731 -15.950 2.117 1.00 21.43 O ATOM 0 H SER A 108 30.611 -14.736 6.122 1.00 55.24 H new ATOM 0 HA SER A 108 31.570 -14.285 4.150 1.00 41.30 H new ATOM 0 HB2 SER A 108 31.548 -16.792 3.976 1.00 75.31 H new ATOM 0 HB3 SER A 108 30.062 -16.684 3.053 1.00 75.31 H new ATOM 0 HG SER A 108 31.904 -14.993 2.000 1.00 21.43 H new ATOM 1669 N PRO A 109 29.685 -12.543 3.515 1.00 35.34 N ATOM 1670 CA PRO A 109 28.790 -11.557 2.862 1.00 4.21 C ATOM 1671 C PRO A 109 29.255 -11.160 1.441 1.00 5.14 C ATOM 1672 O PRO A 109 28.484 -11.286 0.482 1.00 74.14 O ATOM 1673 CB PRO A 109 28.820 -10.328 3.837 1.00 31.10 C ATOM 1674 CG PRO A 109 29.608 -10.779 5.041 1.00 53.10 C ATOM 1675 CD PRO A 109 30.526 -11.868 4.540 1.00 43.02 C ATOM 0 HA PRO A 109 27.790 -11.963 2.707 1.00 4.21 H new ATOM 0 HB2 PRO A 109 29.288 -9.465 3.364 1.00 31.10 H new ATOM 0 HB3 PRO A 109 27.811 -10.028 4.120 1.00 31.10 H new ATOM 0 HG2 PRO A 109 30.176 -9.953 5.469 1.00 53.10 H new ATOM 0 HG3 PRO A 109 28.948 -11.152 5.824 1.00 53.10 H new ATOM 0 HD2 PRO A 109 31.443 -11.462 4.112 1.00 43.02 H new ATOM 0 HD3 PRO A 109 30.821 -12.550 5.337 1.00 43.02 H new ATOM 1683 N GLU A 110 30.534 -10.729 1.331 1.00 13.45 N ATOM 1684 CA GLU A 110 31.099 -10.052 0.135 1.00 14.30 C ATOM 1685 C GLU A 110 30.274 -8.790 -0.220 1.00 2.24 C ATOM 1686 O GLU A 110 30.592 -7.690 0.259 1.00 73.22 O ATOM 1687 CB GLU A 110 31.276 -11.005 -1.096 1.00 61.53 C ATOM 1688 CG GLU A 110 32.350 -12.104 -0.944 1.00 65.11 C ATOM 1689 CD GLU A 110 31.984 -13.197 0.078 1.00 60.31 C ATOM 1690 OE1 GLU A 110 32.398 -13.103 1.260 1.00 24.30 O ATOM 1691 OE2 GLU A 110 31.262 -14.155 -0.293 1.00 51.14 O1- ATOM 0 H GLU A 110 31.215 -10.843 2.082 1.00 13.45 H new ATOM 0 HA GLU A 110 32.108 -9.738 0.400 1.00 14.30 H new ATOM 0 HB2 GLU A 110 30.319 -11.484 -1.301 1.00 61.53 H new ATOM 0 HB3 GLU A 110 31.523 -10.400 -1.968 1.00 61.53 H new ATOM 0 HG2 GLU A 110 32.519 -12.570 -1.915 1.00 65.11 H new ATOM 0 HG3 GLU A 110 33.290 -11.641 -0.645 1.00 65.11 H new ATOM 1698 N ASP A 111 29.210 -8.966 -1.027 1.00 32.44 N ATOM 1699 CA ASP A 111 28.270 -7.892 -1.396 1.00 40.33 C ATOM 1700 C ASP A 111 27.086 -8.490 -2.181 1.00 55.42 C ATOM 1701 O ASP A 111 27.325 -9.079 -3.262 1.00 60.45 O ATOM 1702 CB ASP A 111 28.941 -6.753 -2.218 1.00 70.11 C ATOM 1703 CG ASP A 111 27.963 -5.617 -2.576 1.00 23.11 C ATOM 1704 OD1 ASP A 111 27.365 -5.025 -1.644 1.00 74.13 O ATOM 1705 OD2 ASP A 111 27.790 -5.297 -3.773 1.00 3.50 O1- ATOM 1706 OXT ASP A 111 25.924 -8.364 -1.728 1.00 37.89 O1- ATOM 0 H ASP A 111 28.977 -9.867 -1.445 1.00 32.44 H new ATOM 0 HA ASP A 111 27.916 -7.439 -0.470 1.00 40.33 H new ATOM 0 HB2 ASP A 111 29.774 -6.342 -1.648 1.00 70.11 H new ATOM 0 HB3 ASP A 111 29.357 -7.170 -3.135 1.00 70.11 H new TER 1711 ASP A 111