USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 798 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 GLN : amide:sc= 0.863 K(o=0.94,f=-0.59) USER MOD Set 1.2: A 76 SER OG : rot 180:sc= 0.0818 USER MOD Set 2.1: A 32 SER OG : rot -82:sc= 0.699 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.711 K(o=1.4,f=0.3) USER MOD Set 3.1: A 23 LYS NZ :NH3+ -179:sc= 1.23 (180deg=0) USER MOD Set 3.2: A 25 SER OG : rot -9:sc= 2.25 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -138:sc= -2.09! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.1) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 19 ASN : amide:sc= -0.0982 K(o=-0.098,f=-0.86) USER MOD Single : A 20 GLN : amide:sc=-0.00544 K(o=-0.0054,f=-1.1) USER MOD Single : A 21 CYS SG : rot 180:sc=6.91e-05 USER MOD Single : A 24 ASN : amide:sc= -0.783 K(o=-0.78,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 143:sc= 2.3 (180deg=-0.374) USER MOD Single : A 35 SER OG : rot 86:sc= 0.929 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 38 MET CE :methyl 166:sc= -0.0546 (180deg=-0.348) USER MOD Single : A 40 SER OG : rot 180:sc= 0.53 USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= -0.0602 (180deg=-0.376) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 49 THR OG1 : rot 14:sc= 0.446 USER MOD Single : A 54 ASN : amide:sc= -0.0698 K(o=-0.07,f=-4.9!) USER MOD Single : A 55 GLN : amide:sc= -1.34! K(o=-1.3!,f=-0.013) USER MOD Single : A 57 GLN : amide:sc= -1.28! K(o=-1.3!,f=-0.024) USER MOD Single : A 65 HIS : no HD1:sc= -2.18! K(o=-2.2!,f=-0.65) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 67 GLN : amide:sc= 0.557 K(o=0.56,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0271 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0001) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 61:sc= 0.00418 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 69:sc= 0.203 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0.00125 USER MOD Single : A 101 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.102) USER MOD Single : A 104 SER OG : rot -150:sc= -0.176 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -54.487 -30.887 13.278 1.00 39.32 N ATOM 2 CA GLY A 1 -53.063 -30.534 13.493 1.00 39.39 C ATOM 3 C GLY A 1 -52.627 -30.833 14.915 1.00 39.02 C ATOM 4 O GLY A 1 -53.237 -30.341 15.864 1.00 38.60 O ATOM 0 H1 GLY A 1 -54.754 -30.671 12.296 1.00 39.32 H new ATOM 0 H2 GLY A 1 -54.624 -31.902 13.458 1.00 39.32 H new ATOM 0 H3 GLY A 1 -55.083 -30.336 13.928 1.00 39.32 H new ATOM 0 HA2 GLY A 1 -52.439 -31.092 12.795 1.00 39.39 H new ATOM 0 HA3 GLY A 1 -52.913 -29.476 13.280 1.00 39.39 H new ATOM 10 N PRO A 2 -51.568 -31.637 15.100 1.00 39.23 N ATOM 11 CA PRO A 2 -51.139 -32.091 16.426 1.00 38.99 C ATOM 12 C PRO A 2 -50.238 -31.085 17.146 1.00 38.70 C ATOM 13 O PRO A 2 -49.697 -31.381 18.213 1.00 39.16 O ATOM 14 CB PRO A 2 -50.361 -33.363 16.101 1.00 39.44 C ATOM 15 CG PRO A 2 -49.756 -33.096 14.765 1.00 39.88 C ATOM 16 CD PRO A 2 -50.706 -32.179 14.033 1.00 39.77 C ATOM 0 HA PRO A 2 -51.982 -32.231 17.103 1.00 38.99 H new ATOM 0 HB2 PRO A 2 -49.596 -33.563 16.851 1.00 39.44 H new ATOM 0 HB3 PRO A 2 -51.016 -34.234 16.074 1.00 39.44 H new ATOM 0 HG2 PRO A 2 -48.775 -32.633 14.870 1.00 39.88 H new ATOM 0 HG3 PRO A 2 -49.612 -34.025 14.213 1.00 39.88 H new ATOM 0 HD2 PRO A 2 -50.172 -31.386 13.509 1.00 39.77 H new ATOM 0 HD3 PRO A 2 -51.287 -32.720 13.286 1.00 39.77 H new ATOM 24 N LEU A 3 -50.077 -29.896 16.571 1.00 37.99 N ATOM 25 CA LEU A 3 -49.209 -28.890 17.165 1.00 37.71 C ATOM 26 C LEU A 3 -49.613 -27.495 16.720 1.00 36.95 C ATOM 27 O LEU A 3 -50.018 -26.661 17.526 1.00 36.88 O ATOM 28 CB LEU A 3 -47.753 -29.144 16.771 1.00 37.68 C ATOM 29 CG LEU A 3 -46.742 -28.155 17.364 1.00 38.25 C ATOM 30 CD1 LEU A 3 -46.687 -28.303 18.872 1.00 38.55 C ATOM 31 CD2 LEU A 3 -45.365 -28.369 16.754 1.00 38.67 C ATOM 0 H LEU A 3 -50.532 -29.610 15.704 1.00 37.99 H new ATOM 0 HA LEU A 3 -49.310 -28.959 18.248 1.00 37.71 H new ATOM 0 HB2 LEU A 3 -47.478 -30.152 17.082 1.00 37.68 H new ATOM 0 HB3 LEU A 3 -47.675 -29.113 15.684 1.00 37.68 H new ATOM 0 HG LEU A 3 -47.066 -27.142 17.127 1.00 38.25 H new ATOM 0 HD11 LEU A 3 -45.966 -27.595 19.281 1.00 38.55 H new ATOM 0 HD12 LEU A 3 -47.672 -28.102 19.294 1.00 38.55 H new ATOM 0 HD13 LEU A 3 -46.384 -29.318 19.127 1.00 38.55 H new ATOM 0 HD21 LEU A 3 -44.661 -27.658 17.187 1.00 38.67 H new ATOM 0 HD22 LEU A 3 -45.029 -29.385 16.962 1.00 38.67 H new ATOM 0 HD23 LEU A 3 -45.417 -28.217 15.676 1.00 38.67 H new ATOM 43 N GLY A 4 -49.493 -27.250 15.430 1.00 36.42 N ATOM 44 CA GLY A 4 -49.808 -25.950 14.894 1.00 35.70 C ATOM 45 C GLY A 4 -50.423 -26.063 13.528 1.00 35.18 C ATOM 46 O GLY A 4 -49.916 -26.790 12.667 1.00 34.80 O ATOM 0 H GLY A 4 -49.181 -27.933 14.740 1.00 36.42 H new ATOM 0 HA2 GLY A 4 -50.495 -25.434 15.564 1.00 35.70 H new ATOM 0 HA3 GLY A 4 -48.902 -25.346 14.840 1.00 35.70 H new ATOM 50 N SER A 5 -51.530 -25.382 13.328 1.00 35.22 N ATOM 51 CA SER A 5 -52.210 -25.413 12.058 1.00 34.83 C ATOM 52 C SER A 5 -52.887 -24.073 11.807 1.00 34.57 C ATOM 53 O SER A 5 -53.973 -23.803 12.322 1.00 34.37 O ATOM 54 CB SER A 5 -53.217 -26.560 12.045 1.00 34.91 C ATOM 55 OG SER A 5 -52.551 -27.811 12.111 1.00 35.05 O ATOM 0 H SER A 5 -51.978 -24.798 14.034 1.00 35.22 H new ATOM 0 HA SER A 5 -51.493 -25.584 11.255 1.00 34.83 H new ATOM 0 HB2 SER A 5 -53.900 -26.461 12.889 1.00 34.91 H new ATOM 0 HB3 SER A 5 -53.821 -26.511 11.139 1.00 34.91 H new ATOM 0 HG SER A 5 -52.976 -28.441 11.492 1.00 35.05 H new ATOM 61 N THR A 6 -52.214 -23.215 11.061 1.00 34.64 N ATOM 62 CA THR A 6 -52.691 -21.865 10.829 1.00 34.51 C ATOM 63 C THR A 6 -53.156 -21.684 9.393 1.00 33.81 C ATOM 64 O THR A 6 -52.513 -22.173 8.461 1.00 33.44 O ATOM 65 CB THR A 6 -51.579 -20.850 11.128 1.00 34.85 C ATOM 66 OG1 THR A 6 -50.370 -21.257 10.473 1.00 35.00 O ATOM 67 CG2 THR A 6 -51.337 -20.729 12.621 1.00 35.32 C ATOM 0 H THR A 6 -51.329 -23.432 10.603 1.00 34.64 H new ATOM 0 HA THR A 6 -53.536 -21.695 11.496 1.00 34.51 H new ATOM 0 HB THR A 6 -51.892 -19.875 10.754 1.00 34.85 H new ATOM 0 HG1 THR A 6 -49.661 -20.608 10.663 1.00 35.00 H new ATOM 0 HG21 THR A 6 -50.544 -20.003 12.803 1.00 35.32 H new ATOM 0 HG22 THR A 6 -52.252 -20.398 13.112 1.00 35.32 H new ATOM 0 HG23 THR A 6 -51.041 -21.699 13.021 1.00 35.32 H new ATOM 75 N SER A 7 -54.272 -20.996 9.221 1.00 33.71 N ATOM 76 CA SER A 7 -54.764 -20.663 7.898 1.00 33.13 C ATOM 77 C SER A 7 -53.828 -19.652 7.232 1.00 32.43 C ATOM 78 O SER A 7 -53.805 -18.474 7.593 1.00 32.42 O ATOM 79 CB SER A 7 -56.181 -20.108 8.012 1.00 33.49 C ATOM 80 OG SER A 7 -57.018 -21.022 8.708 1.00 33.98 O ATOM 0 H SER A 7 -54.856 -20.657 9.986 1.00 33.71 H new ATOM 0 HA SER A 7 -54.789 -21.558 7.277 1.00 33.13 H new ATOM 0 HB2 SER A 7 -56.163 -19.152 8.535 1.00 33.49 H new ATOM 0 HB3 SER A 7 -56.586 -19.920 7.017 1.00 33.49 H new ATOM 0 HG SER A 7 -57.923 -20.651 8.775 1.00 33.98 H new ATOM 86 N LEU A 8 -53.035 -20.135 6.288 1.00 31.93 N ATOM 87 CA LEU A 8 -52.028 -19.312 5.637 1.00 31.32 C ATOM 88 C LEU A 8 -52.466 -18.924 4.232 1.00 30.56 C ATOM 89 O LEU A 8 -52.659 -19.788 3.377 1.00 30.33 O ATOM 90 CB LEU A 8 -50.695 -20.065 5.566 1.00 31.31 C ATOM 91 CG LEU A 8 -50.072 -20.431 6.915 1.00 32.11 C ATOM 92 CD1 LEU A 8 -48.830 -21.281 6.710 1.00 32.24 C ATOM 93 CD2 LEU A 8 -49.733 -19.177 7.705 1.00 32.31 C ATOM 0 H LEU A 8 -53.070 -21.098 5.954 1.00 31.93 H new ATOM 0 HA LEU A 8 -51.903 -18.404 6.227 1.00 31.32 H new ATOM 0 HB2 LEU A 8 -50.845 -20.981 4.994 1.00 31.31 H new ATOM 0 HB3 LEU A 8 -49.983 -19.456 5.010 1.00 31.31 H new ATOM 0 HG LEU A 8 -50.799 -21.010 7.485 1.00 32.11 H new ATOM 0 HD11 LEU A 8 -48.398 -21.533 7.678 1.00 32.24 H new ATOM 0 HD12 LEU A 8 -49.099 -22.196 6.183 1.00 32.24 H new ATOM 0 HD13 LEU A 8 -48.101 -20.724 6.122 1.00 32.24 H new ATOM 0 HD21 LEU A 8 -49.291 -19.458 8.661 1.00 32.31 H new ATOM 0 HD22 LEU A 8 -49.023 -18.572 7.141 1.00 32.31 H new ATOM 0 HD23 LEU A 8 -50.641 -18.601 7.880 1.00 32.31 H new ATOM 105 N VAL A 9 -52.637 -17.631 4.003 1.00 30.24 N ATOM 106 CA VAL A 9 -52.895 -17.121 2.666 1.00 29.57 C ATOM 107 C VAL A 9 -51.574 -16.860 1.952 1.00 29.50 C ATOM 108 O VAL A 9 -50.927 -15.831 2.146 1.00 29.74 O ATOM 109 CB VAL A 9 -53.765 -15.842 2.682 1.00 29.39 C ATOM 110 CG1 VAL A 9 -55.208 -16.197 2.987 1.00 28.95 C ATOM 111 CG2 VAL A 9 -53.248 -14.838 3.700 1.00 29.66 C ATOM 0 H VAL A 9 -52.602 -16.914 4.728 1.00 30.24 H new ATOM 0 HA VAL A 9 -53.460 -17.880 2.125 1.00 29.57 H new ATOM 0 HB VAL A 9 -53.709 -15.383 1.695 1.00 29.39 H new ATOM 0 HG11 VAL A 9 -55.812 -15.290 2.996 1.00 28.95 H new ATOM 0 HG12 VAL A 9 -55.585 -16.876 2.222 1.00 28.95 H new ATOM 0 HG13 VAL A 9 -55.265 -16.681 3.962 1.00 28.95 H new ATOM 0 HG21 VAL A 9 -53.880 -13.950 3.688 1.00 29.66 H new ATOM 0 HG22 VAL A 9 -53.268 -15.285 4.694 1.00 29.66 H new ATOM 0 HG23 VAL A 9 -52.225 -14.559 3.449 1.00 29.66 H new ATOM 121 N GLN A 10 -51.161 -17.820 1.144 1.00 29.28 N ATOM 122 CA GLN A 10 -49.852 -17.777 0.511 1.00 29.30 C ATOM 123 C GLN A 10 -49.883 -16.928 -0.752 1.00 28.60 C ATOM 124 O GLN A 10 -49.839 -17.448 -1.865 1.00 28.70 O ATOM 125 CB GLN A 10 -49.375 -19.193 0.185 1.00 29.33 C ATOM 126 CG GLN A 10 -47.879 -19.299 -0.085 1.00 29.73 C ATOM 127 CD GLN A 10 -47.026 -19.021 1.146 1.00 30.01 C ATOM 128 OE1 GLN A 10 -46.707 -19.929 1.918 1.00 30.47 O ATOM 129 NE2 GLN A 10 -46.635 -17.768 1.325 1.00 29.80 N ATOM 0 H GLN A 10 -51.715 -18.643 0.909 1.00 29.28 H new ATOM 0 HA GLN A 10 -49.152 -17.319 1.210 1.00 29.30 H new ATOM 0 HB2 GLN A 10 -49.631 -19.851 1.015 1.00 29.33 H new ATOM 0 HB3 GLN A 10 -49.917 -19.556 -0.688 1.00 29.33 H new ATOM 0 HG2 GLN A 10 -47.653 -20.298 -0.457 1.00 29.73 H new ATOM 0 HG3 GLN A 10 -47.608 -18.597 -0.873 1.00 29.73 H new ATOM 0 HE21 GLN A 10 -46.920 -17.045 0.664 1.00 29.80 H new ATOM 0 HE22 GLN A 10 -46.049 -17.526 2.124 1.00 29.80 H new ATOM 138 N GLY A 11 -49.970 -15.619 -0.574 1.00 27.99 N ATOM 139 CA GLY A 11 -49.984 -14.719 -1.705 1.00 27.37 C ATOM 140 C GLY A 11 -50.401 -13.313 -1.319 1.00 27.00 C ATOM 141 O GLY A 11 -51.543 -12.916 -1.537 1.00 26.96 O ATOM 0 H GLY A 11 -50.031 -15.164 0.337 1.00 27.99 H new ATOM 0 HA2 GLY A 11 -48.992 -14.690 -2.155 1.00 27.37 H new ATOM 0 HA3 GLY A 11 -50.667 -15.103 -2.463 1.00 27.37 H new ATOM 145 N LEU A 12 -49.477 -12.564 -0.729 1.00 26.82 N ATOM 146 CA LEU A 12 -49.745 -11.189 -0.323 1.00 26.55 C ATOM 147 C LEU A 12 -48.677 -10.255 -0.881 1.00 25.80 C ATOM 148 O LEU A 12 -48.982 -9.283 -1.572 1.00 25.54 O ATOM 149 CB LEU A 12 -49.781 -11.082 1.209 1.00 27.23 C ATOM 150 CG LEU A 12 -50.883 -11.895 1.902 1.00 28.12 C ATOM 151 CD1 LEU A 12 -50.755 -11.781 3.410 1.00 28.61 C ATOM 152 CD2 LEU A 12 -52.258 -11.418 1.460 1.00 28.64 C ATOM 0 H LEU A 12 -48.532 -12.887 -0.520 1.00 26.82 H new ATOM 0 HA LEU A 12 -50.716 -10.895 -0.721 1.00 26.55 H new ATOM 0 HB2 LEU A 12 -48.816 -11.403 1.601 1.00 27.23 H new ATOM 0 HB3 LEU A 12 -49.902 -10.033 1.480 1.00 27.23 H new ATOM 0 HG LEU A 12 -50.767 -12.940 1.616 1.00 28.12 H new ATOM 0 HD11 LEU A 12 -51.544 -12.363 3.887 1.00 28.61 H new ATOM 0 HD12 LEU A 12 -49.783 -12.162 3.723 1.00 28.61 H new ATOM 0 HD13 LEU A 12 -50.847 -10.736 3.705 1.00 28.61 H new ATOM 0 HD21 LEU A 12 -53.026 -12.006 1.962 1.00 28.64 H new ATOM 0 HD22 LEU A 12 -52.379 -10.366 1.720 1.00 28.64 H new ATOM 0 HD23 LEU A 12 -52.356 -11.539 0.381 1.00 28.64 H new ATOM 164 N THR A 13 -47.427 -10.572 -0.581 1.00 25.53 N ATOM 165 CA THR A 13 -46.291 -9.775 -1.012 1.00 24.91 C ATOM 166 C THR A 13 -45.823 -10.095 -2.446 1.00 24.79 C ATOM 167 O THR A 13 -45.527 -9.174 -3.200 1.00 24.22 O ATOM 168 CB THR A 13 -45.122 -9.939 -0.027 1.00 24.58 C ATOM 169 OG1 THR A 13 -45.280 -11.162 0.711 1.00 24.93 O ATOM 170 CG2 THR A 13 -45.072 -8.770 0.937 1.00 24.35 C ATOM 0 H THR A 13 -47.172 -11.392 -0.030 1.00 25.53 H new ATOM 0 HA THR A 13 -46.630 -8.739 -1.021 1.00 24.91 H new ATOM 0 HB THR A 13 -44.191 -9.969 -0.593 1.00 24.58 H new ATOM 0 HG1 THR A 13 -44.533 -11.265 1.337 1.00 24.93 H new ATOM 0 HG21 THR A 13 -44.239 -8.903 1.627 1.00 24.35 H new ATOM 0 HG22 THR A 13 -44.937 -7.844 0.379 1.00 24.35 H new ATOM 0 HG23 THR A 13 -46.004 -8.722 1.499 1.00 24.35 H new ATOM 178 N PRO A 14 -45.708 -11.389 -2.836 1.00 25.42 N ATOM 179 CA PRO A 14 -45.323 -11.779 -4.205 1.00 25.50 C ATOM 180 C PRO A 14 -46.092 -11.057 -5.343 1.00 24.95 C ATOM 181 O PRO A 14 -45.460 -10.599 -6.290 1.00 24.63 O ATOM 182 CB PRO A 14 -45.576 -13.297 -4.253 1.00 26.39 C ATOM 183 CG PRO A 14 -46.237 -13.648 -2.957 1.00 26.81 C ATOM 184 CD PRO A 14 -45.869 -12.573 -1.980 1.00 26.21 C ATOM 0 HA PRO A 14 -44.288 -11.491 -4.389 1.00 25.50 H new ATOM 0 HB2 PRO A 14 -46.212 -13.560 -5.099 1.00 26.39 H new ATOM 0 HB3 PRO A 14 -44.641 -13.844 -4.375 1.00 26.39 H new ATOM 0 HG2 PRO A 14 -47.319 -13.707 -3.078 1.00 26.81 H new ATOM 0 HG3 PRO A 14 -45.902 -14.623 -2.604 1.00 26.81 H new ATOM 0 HD2 PRO A 14 -46.646 -12.426 -1.230 1.00 26.21 H new ATOM 0 HD3 PRO A 14 -44.950 -12.812 -1.444 1.00 26.21 H new ATOM 192 N PRO A 15 -47.450 -10.959 -5.306 1.00 24.93 N ATOM 193 CA PRO A 15 -48.225 -10.366 -6.417 1.00 24.50 C ATOM 194 C PRO A 15 -47.794 -8.938 -6.832 1.00 23.52 C ATOM 195 O PRO A 15 -47.507 -8.716 -8.012 1.00 23.07 O ATOM 196 CB PRO A 15 -49.671 -10.379 -5.909 1.00 25.00 C ATOM 197 CG PRO A 15 -49.699 -11.455 -4.883 1.00 25.60 C ATOM 198 CD PRO A 15 -48.348 -11.423 -4.227 1.00 25.43 C ATOM 0 HA PRO A 15 -48.067 -10.941 -7.330 1.00 24.50 H new ATOM 0 HB2 PRO A 15 -49.949 -9.416 -5.481 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -50.373 -10.584 -6.717 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -50.492 -11.282 -4.156 1.00 25.60 H new ATOM 0 HG3 PRO A 15 -49.890 -12.426 -5.339 1.00 25.60 H new ATOM 0 HD2 PRO A 15 -48.333 -10.746 -3.373 1.00 25.43 H new ATOM 0 HD3 PRO A 15 -48.057 -12.407 -3.859 1.00 25.43 H new ATOM 206 N PRO A 16 -47.760 -7.939 -5.913 1.00 23.25 N ATOM 207 CA PRO A 16 -47.402 -6.562 -6.280 1.00 22.42 C ATOM 208 C PRO A 16 -45.954 -6.439 -6.754 1.00 22.03 C ATOM 209 O PRO A 16 -45.019 -6.862 -6.064 1.00 22.10 O ATOM 210 CB PRO A 16 -47.617 -5.762 -4.994 1.00 22.52 C ATOM 211 CG PRO A 16 -47.562 -6.763 -3.895 1.00 23.30 C ATOM 212 CD PRO A 16 -48.072 -8.052 -4.474 1.00 23.82 C ATOM 0 HA PRO A 16 -48.005 -6.205 -7.115 1.00 22.42 H new ATOM 0 HB2 PRO A 16 -46.847 -5.000 -4.871 1.00 22.52 H new ATOM 0 HB3 PRO A 16 -48.577 -5.246 -5.008 1.00 22.52 H new ATOM 0 HG2 PRO A 16 -46.543 -6.879 -3.525 1.00 23.30 H new ATOM 0 HG3 PRO A 16 -48.174 -6.447 -3.050 1.00 23.30 H new ATOM 0 HD2 PRO A 16 -47.580 -8.915 -4.025 1.00 23.82 H new ATOM 0 HD3 PRO A 16 -49.142 -8.171 -4.305 1.00 23.82 H new ATOM 220 N ASP A 17 -45.794 -5.841 -7.937 1.00 21.73 N ATOM 221 CA ASP A 17 -44.489 -5.649 -8.580 1.00 21.48 C ATOM 222 C ASP A 17 -43.927 -6.966 -9.089 1.00 20.70 C ATOM 223 O ASP A 17 -44.041 -7.275 -10.276 1.00 20.31 O ATOM 224 CB ASP A 17 -43.470 -4.956 -7.652 1.00 21.48 C ATOM 225 CG ASP A 17 -43.774 -3.487 -7.445 1.00 21.55 C ATOM 226 OD1 ASP A 17 -43.291 -2.650 -8.245 1.00 21.44 O ATOM 227 OD2 ASP A 17 -44.478 -3.155 -6.468 1.00 21.80 O ATOM 0 H ASP A 17 -46.573 -5.472 -8.482 1.00 21.73 H new ATOM 0 HA ASP A 17 -44.659 -4.988 -9.430 1.00 21.48 H new ATOM 0 HB2 ASP A 17 -43.462 -5.461 -6.686 1.00 21.48 H new ATOM 0 HB3 ASP A 17 -42.471 -5.060 -8.074 1.00 21.48 H new ATOM 232 N PHE A 18 -43.325 -7.737 -8.185 1.00 20.58 N ATOM 233 CA PHE A 18 -42.696 -9.020 -8.525 1.00 19.96 C ATOM 234 C PHE A 18 -41.650 -8.831 -9.633 1.00 19.47 C ATOM 235 O PHE A 18 -41.328 -9.755 -10.372 1.00 19.17 O ATOM 236 CB PHE A 18 -43.771 -10.035 -8.952 1.00 20.48 C ATOM 237 CG PHE A 18 -43.301 -11.463 -8.980 1.00 20.66 C ATOM 238 CD1 PHE A 18 -42.971 -12.124 -7.809 1.00 21.10 C ATOM 239 CD2 PHE A 18 -43.180 -12.142 -10.183 1.00 20.54 C ATOM 240 CE1 PHE A 18 -42.532 -13.433 -7.835 1.00 21.40 C ATOM 241 CE2 PHE A 18 -42.738 -13.450 -10.215 1.00 20.84 C ATOM 242 CZ PHE A 18 -42.453 -14.110 -9.029 1.00 21.27 C ATOM 0 H PHE A 18 -43.258 -7.494 -7.197 1.00 20.58 H new ATOM 0 HA PHE A 18 -42.184 -9.407 -7.644 1.00 19.96 H new ATOM 0 HB2 PHE A 18 -44.618 -9.957 -8.270 1.00 20.48 H new ATOM 0 HB3 PHE A 18 -44.134 -9.765 -9.944 1.00 20.48 H new ATOM 0 HD1 PHE A 18 -43.058 -11.609 -6.863 1.00 21.10 H new ATOM 0 HD2 PHE A 18 -43.434 -11.642 -11.106 1.00 20.54 H new ATOM 0 HE1 PHE A 18 -42.250 -13.926 -6.916 1.00 21.40 H new ATOM 0 HE2 PHE A 18 -42.615 -13.957 -11.160 1.00 20.84 H new ATOM 0 HZ PHE A 18 -42.170 -15.152 -9.043 1.00 21.27 H new ATOM 252 N ASN A 19 -41.089 -7.629 -9.693 1.00 19.51 N ATOM 253 CA ASN A 19 -40.187 -7.241 -10.775 1.00 19.22 C ATOM 254 C ASN A 19 -38.744 -7.642 -10.469 1.00 18.44 C ATOM 255 O ASN A 19 -37.842 -7.451 -11.283 1.00 18.17 O ATOM 256 CB ASN A 19 -40.282 -5.723 -11.002 1.00 19.70 C ATOM 257 CG ASN A 19 -39.595 -5.265 -12.282 1.00 20.22 C ATOM 258 OD1 ASN A 19 -39.511 -6.007 -13.264 1.00 20.50 O ATOM 259 ND2 ASN A 19 -39.115 -4.030 -12.280 1.00 20.47 N ATOM 0 H ASN A 19 -41.244 -6.898 -8.998 1.00 19.51 H new ATOM 0 HA ASN A 19 -40.490 -7.766 -11.681 1.00 19.22 H new ATOM 0 HB2 ASN A 19 -41.332 -5.432 -11.036 1.00 19.70 H new ATOM 0 HB3 ASN A 19 -39.836 -5.206 -10.152 1.00 19.70 H new ATOM 0 HD21 ASN A 19 -38.655 -3.660 -13.112 1.00 20.47 H new ATOM 0 HD22 ASN A 19 -39.205 -3.449 -11.446 1.00 20.47 H new ATOM 266 N GLN A 20 -38.512 -8.214 -9.291 1.00 18.18 N ATOM 267 CA GLN A 20 -37.161 -8.595 -8.904 1.00 17.53 C ATOM 268 C GLN A 20 -36.892 -10.057 -9.220 1.00 17.18 C ATOM 269 O GLN A 20 -37.371 -10.953 -8.530 1.00 16.92 O ATOM 270 CB GLN A 20 -36.902 -8.336 -7.421 1.00 17.65 C ATOM 271 CG GLN A 20 -37.114 -6.888 -7.014 1.00 18.17 C ATOM 272 CD GLN A 20 -36.669 -6.608 -5.594 1.00 18.45 C ATOM 273 OE1 GLN A 20 -35.758 -7.257 -5.081 1.00 18.40 O ATOM 274 NE2 GLN A 20 -37.295 -5.633 -4.960 1.00 18.86 N ATOM 0 H GLN A 20 -39.231 -8.421 -8.598 1.00 18.18 H new ATOM 0 HA GLN A 20 -36.480 -7.974 -9.486 1.00 17.53 H new ATOM 0 HB2 GLN A 20 -37.560 -8.972 -6.829 1.00 17.65 H new ATOM 0 HB3 GLN A 20 -35.879 -8.626 -7.183 1.00 17.65 H new ATOM 0 HG2 GLN A 20 -36.565 -6.239 -7.697 1.00 18.17 H new ATOM 0 HG3 GLN A 20 -38.170 -6.637 -7.115 1.00 18.17 H new ATOM 0 HE21 GLN A 20 -38.045 -5.121 -5.425 1.00 18.86 H new ATOM 0 HE22 GLN A 20 -37.028 -5.392 -4.006 1.00 18.86 H new ATOM 283 N CYS A 21 -36.108 -10.287 -10.260 1.00 17.29 N ATOM 284 CA CYS A 21 -35.706 -11.638 -10.642 1.00 17.13 C ATOM 285 C CYS A 21 -34.527 -12.110 -9.791 1.00 16.75 C ATOM 286 O CYS A 21 -33.738 -12.951 -10.227 1.00 16.28 O ATOM 287 CB CYS A 21 -35.326 -11.658 -12.124 1.00 16.85 C ATOM 288 SG CYS A 21 -36.523 -10.823 -13.192 1.00 17.55 S ATOM 0 H CYS A 21 -35.733 -9.553 -10.861 1.00 17.29 H new ATOM 0 HA CYS A 21 -36.543 -12.316 -10.473 1.00 17.13 H new ATOM 0 HB2 CYS A 21 -34.351 -11.186 -12.247 1.00 16.85 H new ATOM 0 HB3 CYS A 21 -35.222 -12.693 -12.449 1.00 16.85 H new ATOM 0 HG CYS A 21 -36.121 -10.886 -14.427 1.00 17.55 H new ATOM 294 N LEU A 22 -34.425 -11.570 -8.571 1.00 17.08 N ATOM 295 CA LEU A 22 -33.343 -11.913 -7.641 1.00 16.96 C ATOM 296 C LEU A 22 -31.980 -11.606 -8.257 1.00 16.12 C ATOM 297 O LEU A 22 -30.990 -12.286 -8.001 1.00 16.24 O ATOM 298 CB LEU A 22 -33.438 -13.387 -7.225 1.00 17.70 C ATOM 299 CG LEU A 22 -34.365 -13.676 -6.034 1.00 18.56 C ATOM 300 CD1 LEU A 22 -35.753 -13.087 -6.244 1.00 18.72 C ATOM 301 CD2 LEU A 22 -34.467 -15.172 -5.798 1.00 19.08 C ATOM 0 H LEU A 22 -35.086 -10.887 -8.202 1.00 17.08 H new ATOM 0 HA LEU A 22 -33.452 -11.299 -6.747 1.00 16.96 H new ATOM 0 HB2 LEU A 22 -33.782 -13.967 -8.081 1.00 17.70 H new ATOM 0 HB3 LEU A 22 -32.437 -13.743 -6.980 1.00 17.70 H new ATOM 0 HG LEU A 22 -33.929 -13.200 -5.156 1.00 18.56 H new ATOM 0 HD11 LEU A 22 -36.379 -13.313 -5.380 1.00 18.72 H new ATOM 0 HD12 LEU A 22 -35.675 -12.006 -6.363 1.00 18.72 H new ATOM 0 HD13 LEU A 22 -36.200 -13.520 -7.139 1.00 18.72 H new ATOM 0 HD21 LEU A 22 -35.127 -15.363 -4.951 1.00 19.08 H new ATOM 0 HD22 LEU A 22 -34.871 -15.654 -6.688 1.00 19.08 H new ATOM 0 HD23 LEU A 22 -33.477 -15.575 -5.584 1.00 19.08 H new ATOM 313 N LYS A 23 -31.943 -10.548 -9.054 1.00 15.37 N ATOM 314 CA LYS A 23 -30.721 -10.128 -9.735 1.00 14.61 C ATOM 315 C LYS A 23 -29.919 -9.122 -8.904 1.00 14.25 C ATOM 316 O LYS A 23 -28.892 -8.623 -9.361 1.00 13.68 O ATOM 317 CB LYS A 23 -31.045 -9.534 -11.118 1.00 14.14 C ATOM 318 CG LYS A 23 -32.527 -9.246 -11.372 1.00 14.53 C ATOM 319 CD LYS A 23 -32.961 -7.847 -10.943 1.00 14.23 C ATOM 320 CE LYS A 23 -33.035 -7.683 -9.432 1.00 14.39 C ATOM 321 NZ LYS A 23 -33.520 -6.330 -9.045 1.00 14.38 N ATOM 0 H LYS A 23 -32.752 -9.958 -9.248 1.00 15.37 H new ATOM 0 HA LYS A 23 -30.104 -11.017 -9.865 1.00 14.61 H new ATOM 0 HB2 LYS A 23 -30.485 -8.606 -11.238 1.00 14.14 H new ATOM 0 HB3 LYS A 23 -30.688 -10.222 -11.884 1.00 14.14 H new ATOM 0 HG2 LYS A 23 -32.736 -9.372 -12.434 1.00 14.53 H new ATOM 0 HG3 LYS A 23 -33.128 -9.983 -10.839 1.00 14.53 H new ATOM 0 HD2 LYS A 23 -32.262 -7.116 -11.348 1.00 14.23 H new ATOM 0 HD3 LYS A 23 -33.937 -7.627 -11.375 1.00 14.23 H new ATOM 0 HE2 LYS A 23 -33.700 -8.440 -9.017 1.00 14.39 H new ATOM 0 HE3 LYS A 23 -32.049 -7.853 -8.999 1.00 14.39 H new ATOM 0 HZ1 LYS A 23 -33.540 -6.252 -8.008 1.00 14.38 H new ATOM 0 HZ2 LYS A 23 -32.881 -5.608 -9.434 1.00 14.38 H new ATOM 0 HZ3 LYS A 23 -34.478 -6.184 -9.422 1.00 14.38 H new ATOM 335 N ASN A 24 -30.394 -8.840 -7.685 1.00 14.73 N ATOM 336 CA ASN A 24 -29.744 -7.885 -6.766 1.00 14.67 C ATOM 337 C ASN A 24 -29.874 -6.444 -7.254 1.00 13.87 C ATOM 338 O ASN A 24 -30.470 -5.608 -6.574 1.00 14.11 O ATOM 339 CB ASN A 24 -28.258 -8.212 -6.555 1.00 14.94 C ATOM 340 CG ASN A 24 -28.020 -9.578 -5.935 1.00 15.80 C ATOM 341 OD1 ASN A 24 -27.031 -10.237 -6.241 1.00 16.18 O ATOM 342 ND2 ASN A 24 -28.905 -10.003 -5.044 1.00 16.23 N ATOM 0 H ASN A 24 -31.239 -9.265 -7.304 1.00 14.73 H new ATOM 0 HA ASN A 24 -30.266 -7.984 -5.815 1.00 14.67 H new ATOM 0 HB2 ASN A 24 -27.744 -8.163 -7.515 1.00 14.94 H new ATOM 0 HB3 ASN A 24 -27.814 -7.449 -5.916 1.00 14.94 H new ATOM 0 HD21 ASN A 24 -28.776 -10.906 -4.587 1.00 16.23 H new ATOM 0 HD22 ASN A 24 -29.715 -9.427 -4.815 1.00 16.23 H new ATOM 349 N SER A 25 -29.338 -6.186 -8.442 1.00 13.05 N ATOM 350 CA SER A 25 -29.293 -4.854 -9.038 1.00 12.28 C ATOM 351 C SER A 25 -28.333 -3.937 -8.287 1.00 12.15 C ATOM 352 O SER A 25 -28.752 -3.094 -7.492 1.00 12.30 O ATOM 353 CB SER A 25 -30.688 -4.228 -9.135 1.00 12.37 C ATOM 354 OG SER A 25 -31.510 -4.968 -10.023 1.00 12.97 O ATOM 0 H SER A 25 -28.916 -6.907 -9.027 1.00 13.05 H new ATOM 0 HA SER A 25 -28.915 -4.972 -10.053 1.00 12.28 H new ATOM 0 HB2 SER A 25 -31.147 -4.197 -8.147 1.00 12.37 H new ATOM 0 HB3 SER A 25 -30.606 -3.198 -9.481 1.00 12.37 H new ATOM 0 HG SER A 25 -30.968 -5.638 -10.489 1.00 12.97 H new ATOM 360 N PRO A 26 -27.020 -4.121 -8.513 1.00 12.10 N ATOM 361 CA PRO A 26 -25.987 -3.241 -7.978 1.00 12.18 C ATOM 362 C PRO A 26 -25.789 -2.007 -8.860 1.00 11.48 C ATOM 363 O PRO A 26 -25.822 -0.875 -8.377 1.00 11.60 O ATOM 364 CB PRO A 26 -24.715 -4.109 -7.986 1.00 12.53 C ATOM 365 CG PRO A 26 -25.111 -5.433 -8.574 1.00 12.59 C ATOM 366 CD PRO A 26 -26.426 -5.223 -9.274 1.00 12.23 C ATOM 0 HA PRO A 26 -26.245 -2.865 -6.988 1.00 12.18 H new ATOM 0 HB2 PRO A 26 -23.929 -3.641 -8.578 1.00 12.53 H new ATOM 0 HB3 PRO A 26 -24.323 -4.234 -6.977 1.00 12.53 H new ATOM 0 HG2 PRO A 26 -24.353 -5.787 -9.273 1.00 12.59 H new ATOM 0 HG3 PRO A 26 -25.205 -6.189 -7.795 1.00 12.59 H new ATOM 0 HD2 PRO A 26 -26.290 -4.964 -10.324 1.00 12.23 H new ATOM 0 HD3 PRO A 26 -27.048 -6.117 -9.245 1.00 12.23 H new ATOM 374 N ASP A 27 -25.594 -2.231 -10.163 1.00 10.92 N ATOM 375 CA ASP A 27 -25.397 -1.132 -11.106 1.00 10.34 C ATOM 376 C ASP A 27 -26.237 -1.295 -12.368 1.00 9.92 C ATOM 377 O ASP A 27 -26.161 -0.480 -13.287 1.00 10.16 O ATOM 378 CB ASP A 27 -23.929 -1.003 -11.481 1.00 10.24 C ATOM 379 CG ASP A 27 -23.289 0.202 -10.833 1.00 10.06 C ATOM 380 OD1 ASP A 27 -23.930 1.276 -10.808 1.00 9.96 O ATOM 381 OD2 ASP A 27 -22.152 0.088 -10.344 1.00 10.17 O ATOM 0 H ASP A 27 -25.569 -3.159 -10.585 1.00 10.92 H new ATOM 0 HA ASP A 27 -25.725 -0.223 -10.602 1.00 10.34 H new ATOM 0 HB2 ASP A 27 -23.396 -1.904 -11.179 1.00 10.24 H new ATOM 0 HB3 ASP A 27 -23.836 -0.926 -12.564 1.00 10.24 H new ATOM 386 N GLU A 28 -27.067 -2.323 -12.397 1.00 9.51 N ATOM 387 CA GLU A 28 -27.963 -2.568 -13.531 1.00 9.33 C ATOM 388 C GLU A 28 -29.215 -1.700 -13.402 1.00 8.90 C ATOM 389 O GLU A 28 -30.263 -1.997 -13.961 1.00 9.13 O ATOM 390 CB GLU A 28 -28.337 -4.050 -13.579 1.00 10.13 C ATOM 391 CG GLU A 28 -28.884 -4.552 -12.258 1.00 10.77 C ATOM 392 CD GLU A 28 -29.080 -6.053 -12.212 1.00 11.21 C ATOM 393 OE1 GLU A 28 -28.148 -6.793 -12.587 1.00 11.40 O ATOM 394 OE2 GLU A 28 -30.152 -6.498 -11.749 1.00 11.54 O ATOM 0 H GLU A 28 -27.145 -3.010 -11.647 1.00 9.51 H new ATOM 0 HA GLU A 28 -27.455 -2.305 -14.459 1.00 9.33 H new ATOM 0 HB2 GLU A 28 -29.080 -4.209 -14.361 1.00 10.13 H new ATOM 0 HB3 GLU A 28 -27.458 -4.635 -13.851 1.00 10.13 H new ATOM 0 HG2 GLU A 28 -28.204 -4.258 -11.458 1.00 10.77 H new ATOM 0 HG3 GLU A 28 -29.838 -4.064 -12.061 1.00 10.77 H new ATOM 401 N LYS A 29 -29.064 -0.598 -12.682 1.00 8.50 N ATOM 402 CA LYS A 29 -30.164 0.305 -12.376 1.00 8.24 C ATOM 403 C LYS A 29 -30.657 1.090 -13.597 1.00 7.81 C ATOM 404 O LYS A 29 -31.704 1.733 -13.542 1.00 7.74 O ATOM 405 CB LYS A 29 -29.739 1.268 -11.265 1.00 8.29 C ATOM 406 CG LYS A 29 -28.287 1.769 -11.339 1.00 8.34 C ATOM 407 CD LYS A 29 -27.944 2.381 -12.691 1.00 8.62 C ATOM 408 CE LYS A 29 -26.555 3.014 -12.732 1.00 8.72 C ATOM 409 NZ LYS A 29 -25.455 2.014 -12.747 1.00 9.11 N ATOM 0 H LYS A 29 -28.169 -0.303 -12.291 1.00 8.50 H new ATOM 0 HA LYS A 29 -31.002 -0.308 -12.045 1.00 8.24 H new ATOM 0 HB2 LYS A 29 -30.404 2.132 -11.283 1.00 8.29 H new ATOM 0 HB3 LYS A 29 -29.885 0.774 -10.305 1.00 8.29 H new ATOM 0 HG2 LYS A 29 -28.123 2.510 -10.557 1.00 8.34 H new ATOM 0 HG3 LYS A 29 -27.610 0.939 -11.138 1.00 8.34 H new ATOM 0 HD2 LYS A 29 -28.007 1.609 -13.458 1.00 8.62 H new ATOM 0 HD3 LYS A 29 -28.688 3.138 -12.939 1.00 8.62 H new ATOM 0 HE2 LYS A 29 -26.476 3.644 -13.618 1.00 8.72 H new ATOM 0 HE3 LYS A 29 -26.434 3.665 -11.866 1.00 8.72 H new ATOM 0 HZ1 LYS A 29 -24.686 2.353 -13.360 1.00 9.11 H new ATOM 0 HZ2 LYS A 29 -25.094 1.880 -11.781 1.00 9.11 H new ATOM 0 HZ3 LYS A 29 -25.814 1.108 -13.111 1.00 9.11 H new ATOM 423 N PHE A 30 -29.862 1.064 -14.665 1.00 7.78 N ATOM 424 CA PHE A 30 -30.180 1.734 -15.936 1.00 7.70 C ATOM 425 C PHE A 30 -29.907 3.229 -15.836 1.00 7.44 C ATOM 426 O PHE A 30 -29.180 3.796 -16.653 1.00 7.61 O ATOM 427 CB PHE A 30 -31.633 1.486 -16.378 1.00 7.98 C ATOM 428 CG PHE A 30 -31.963 0.041 -16.651 1.00 8.78 C ATOM 429 CD1 PHE A 30 -31.451 -0.598 -17.771 1.00 9.49 C ATOM 430 CD2 PHE A 30 -32.776 -0.673 -15.791 1.00 9.03 C ATOM 431 CE1 PHE A 30 -31.744 -1.925 -18.022 1.00 10.39 C ATOM 432 CE2 PHE A 30 -33.075 -2.000 -16.040 1.00 9.98 C ATOM 433 CZ PHE A 30 -32.582 -2.624 -17.149 1.00 10.64 C ATOM 0 H PHE A 30 -28.968 0.573 -14.678 1.00 7.78 H new ATOM 0 HA PHE A 30 -29.530 1.302 -16.697 1.00 7.70 H new ATOM 0 HB2 PHE A 30 -32.304 1.859 -15.604 1.00 7.98 H new ATOM 0 HB3 PHE A 30 -31.830 2.067 -17.279 1.00 7.98 H new ATOM 0 HD1 PHE A 30 -30.817 -0.053 -18.454 1.00 9.49 H new ATOM 0 HD2 PHE A 30 -33.182 -0.189 -14.915 1.00 9.03 H new ATOM 0 HE1 PHE A 30 -31.328 -2.419 -18.888 1.00 10.39 H new ATOM 0 HE2 PHE A 30 -33.703 -2.546 -15.352 1.00 9.98 H new ATOM 0 HZ PHE A 30 -32.838 -3.653 -17.351 1.00 10.64 H new ATOM 443 N PHE A 31 -30.470 3.855 -14.814 1.00 7.30 N ATOM 444 CA PHE A 31 -30.171 5.246 -14.506 1.00 7.33 C ATOM 445 C PHE A 31 -29.589 5.262 -13.123 1.00 7.51 C ATOM 446 O PHE A 31 -28.397 5.506 -12.915 1.00 7.81 O ATOM 447 CB PHE A 31 -31.436 6.111 -14.566 1.00 7.36 C ATOM 448 CG PHE A 31 -32.048 6.190 -15.936 1.00 7.57 C ATOM 449 CD1 PHE A 31 -31.451 6.952 -16.926 1.00 7.70 C ATOM 450 CD2 PHE A 31 -33.219 5.512 -16.233 1.00 7.97 C ATOM 451 CE1 PHE A 31 -32.013 7.041 -18.185 1.00 8.21 C ATOM 452 CE2 PHE A 31 -33.786 5.596 -17.487 1.00 8.50 C ATOM 453 CZ PHE A 31 -33.177 6.311 -18.470 1.00 8.62 C ATOM 0 H PHE A 31 -31.140 3.419 -14.180 1.00 7.30 H new ATOM 0 HA PHE A 31 -29.474 5.660 -15.234 1.00 7.33 H new ATOM 0 HB2 PHE A 31 -32.173 5.710 -13.871 1.00 7.36 H new ATOM 0 HB3 PHE A 31 -31.193 7.118 -14.227 1.00 7.36 H new ATOM 0 HD1 PHE A 31 -30.535 7.483 -16.712 1.00 7.70 H new ATOM 0 HD2 PHE A 31 -33.694 4.910 -15.473 1.00 7.97 H new ATOM 0 HE1 PHE A 31 -31.561 7.666 -18.942 1.00 8.21 H new ATOM 0 HE2 PHE A 31 -34.719 5.091 -17.689 1.00 8.50 H new ATOM 0 HZ PHE A 31 -33.588 6.317 -19.469 1.00 8.62 H new ATOM 463 N SER A 32 -30.469 4.971 -12.202 1.00 7.60 N ATOM 464 CA SER A 32 -30.132 4.564 -10.862 1.00 8.12 C ATOM 465 C SER A 32 -31.423 4.414 -10.105 1.00 8.57 C ATOM 466 O SER A 32 -32.018 3.341 -10.148 1.00 9.15 O ATOM 467 CB SER A 32 -29.154 5.522 -10.184 1.00 8.65 C ATOM 468 OG SER A 32 -29.587 6.870 -10.259 1.00 9.33 O ATOM 0 H SER A 32 -31.474 5.012 -12.369 1.00 7.60 H new ATOM 0 HA SER A 32 -29.601 3.612 -10.882 1.00 8.12 H new ATOM 0 HB2 SER A 32 -29.035 5.238 -9.138 1.00 8.65 H new ATOM 0 HB3 SER A 32 -28.174 5.430 -10.652 1.00 8.65 H new ATOM 0 HG SER A 32 -29.342 7.244 -11.131 1.00 9.33 H new ATOM 474 N ASP A 33 -31.874 5.499 -9.472 1.00 8.53 N ATOM 475 CA ASP A 33 -33.225 5.592 -8.909 1.00 9.12 C ATOM 476 C ASP A 33 -33.429 4.663 -7.710 1.00 9.48 C ATOM 477 O ASP A 33 -33.954 5.069 -6.678 1.00 10.03 O ATOM 478 CB ASP A 33 -34.252 5.279 -9.996 1.00 9.83 C ATOM 479 CG ASP A 33 -34.202 6.259 -11.152 1.00 10.39 C ATOM 480 OD1 ASP A 33 -34.676 7.403 -10.992 1.00 10.68 O ATOM 481 OD2 ASP A 33 -33.678 5.898 -12.227 1.00 10.73 O ATOM 0 H ASP A 33 -31.313 6.340 -9.335 1.00 8.53 H new ATOM 0 HA ASP A 33 -33.360 6.611 -8.546 1.00 9.12 H new ATOM 0 HB2 ASP A 33 -34.080 4.271 -10.373 1.00 9.83 H new ATOM 0 HB3 ASP A 33 -35.251 5.290 -9.560 1.00 9.83 H new ATOM 486 N PHE A 34 -33.015 3.416 -7.876 1.00 9.37 N ATOM 487 CA PHE A 34 -33.079 2.388 -6.853 1.00 9.94 C ATOM 488 C PHE A 34 -32.472 2.900 -5.540 1.00 9.93 C ATOM 489 O PHE A 34 -32.989 2.643 -4.455 1.00 10.33 O ATOM 490 CB PHE A 34 -32.350 1.147 -7.400 1.00 9.89 C ATOM 491 CG PHE A 34 -30.861 1.129 -7.186 1.00 10.10 C ATOM 492 CD1 PHE A 34 -30.032 1.947 -7.935 1.00 10.53 C ATOM 493 CD2 PHE A 34 -30.291 0.291 -6.240 1.00 10.09 C ATOM 494 CE1 PHE A 34 -28.666 1.934 -7.748 1.00 10.95 C ATOM 495 CE2 PHE A 34 -28.923 0.273 -6.048 1.00 10.50 C ATOM 496 CZ PHE A 34 -28.109 1.097 -6.802 1.00 10.92 C ATOM 0 H PHE A 34 -32.614 3.084 -8.753 1.00 9.37 H new ATOM 0 HA PHE A 34 -34.110 2.122 -6.622 1.00 9.94 H new ATOM 0 HB2 PHE A 34 -32.778 0.260 -6.934 1.00 9.89 H new ATOM 0 HB3 PHE A 34 -32.548 1.072 -8.469 1.00 9.89 H new ATOM 0 HD1 PHE A 34 -30.462 2.605 -8.676 1.00 10.53 H new ATOM 0 HD2 PHE A 34 -30.923 -0.354 -5.647 1.00 10.09 H new ATOM 0 HE1 PHE A 34 -28.033 2.578 -8.341 1.00 10.95 H new ATOM 0 HE2 PHE A 34 -28.490 -0.385 -5.309 1.00 10.50 H new ATOM 0 HZ PHE A 34 -27.040 1.086 -6.651 1.00 10.92 H new ATOM 506 N SER A 35 -31.373 3.628 -5.670 1.00 9.65 N ATOM 507 CA SER A 35 -30.822 4.436 -4.604 1.00 9.74 C ATOM 508 C SER A 35 -30.828 5.874 -5.101 1.00 9.44 C ATOM 509 O SER A 35 -29.811 6.382 -5.576 1.00 9.50 O ATOM 510 CB SER A 35 -29.407 3.971 -4.243 1.00 10.04 C ATOM 511 OG SER A 35 -29.415 2.597 -3.900 1.00 10.16 O ATOM 0 H SER A 35 -30.834 3.671 -6.535 1.00 9.65 H new ATOM 0 HA SER A 35 -31.414 4.345 -3.693 1.00 9.74 H new ATOM 0 HB2 SER A 35 -28.736 4.139 -5.085 1.00 10.04 H new ATOM 0 HB3 SER A 35 -29.025 4.559 -3.409 1.00 10.04 H new ATOM 0 HG SER A 35 -29.326 2.056 -4.713 1.00 10.16 H new ATOM 517 N ASN A 36 -32.030 6.449 -5.080 1.00 9.30 N ATOM 518 CA ASN A 36 -32.336 7.759 -5.666 1.00 9.24 C ATOM 519 C ASN A 36 -31.191 8.770 -5.597 1.00 8.77 C ATOM 520 O ASN A 36 -30.962 9.427 -4.580 1.00 8.94 O ATOM 521 CB ASN A 36 -33.583 8.354 -5.014 1.00 9.46 C ATOM 522 CG ASN A 36 -34.026 9.645 -5.681 1.00 10.11 C ATOM 523 OD1 ASN A 36 -33.604 10.735 -5.297 1.00 10.51 O ATOM 524 ND2 ASN A 36 -34.881 9.530 -6.692 1.00 10.41 N ATOM 0 H ASN A 36 -32.840 6.008 -4.645 1.00 9.30 H new ATOM 0 HA ASN A 36 -32.508 7.567 -6.725 1.00 9.24 H new ATOM 0 HB2 ASN A 36 -34.395 7.628 -5.059 1.00 9.46 H new ATOM 0 HB3 ASN A 36 -33.383 8.543 -3.959 1.00 9.46 H new ATOM 0 HD21 ASN A 36 -35.210 10.364 -7.179 1.00 10.41 H new ATOM 0 HD22 ASN A 36 -35.208 8.608 -6.981 1.00 10.41 H new ATOM 531 N ASN A 37 -30.468 8.845 -6.700 1.00 8.43 N ATOM 532 CA ASN A 37 -29.533 9.934 -6.965 1.00 8.29 C ATOM 533 C ASN A 37 -29.741 10.385 -8.402 1.00 7.88 C ATOM 534 O ASN A 37 -29.328 11.474 -8.798 1.00 7.92 O ATOM 535 CB ASN A 37 -28.071 9.505 -6.736 1.00 8.59 C ATOM 536 CG ASN A 37 -27.583 8.482 -7.746 1.00 9.45 C ATOM 537 OD1 ASN A 37 -27.026 8.829 -8.786 1.00 9.82 O ATOM 538 ND2 ASN A 37 -27.792 7.210 -7.445 1.00 10.00 N ATOM 0 H ASN A 37 -30.510 8.149 -7.445 1.00 8.43 H new ATOM 0 HA ASN A 37 -29.726 10.753 -6.273 1.00 8.29 H new ATOM 0 HB2 ASN A 37 -27.430 10.385 -6.781 1.00 8.59 H new ATOM 0 HB3 ASN A 37 -27.974 9.091 -5.733 1.00 8.59 H new ATOM 0 HD21 ASN A 37 -27.487 6.477 -8.086 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -28.258 6.962 -6.572 1.00 10.00 H new ATOM 545 N MET A 38 -30.386 9.500 -9.173 1.00 7.75 N ATOM 546 CA MET A 38 -30.863 9.789 -10.524 1.00 7.70 C ATOM 547 C MET A 38 -29.719 9.913 -11.528 1.00 7.11 C ATOM 548 O MET A 38 -29.450 8.980 -12.282 1.00 7.09 O ATOM 549 CB MET A 38 -31.742 11.040 -10.530 1.00 8.48 C ATOM 550 CG MET A 38 -33.031 10.863 -9.743 1.00 9.45 C ATOM 551 SD MET A 38 -33.992 12.382 -9.598 1.00 10.41 S ATOM 552 CE MET A 38 -34.383 12.700 -11.314 1.00 10.82 C ATOM 0 H MET A 38 -30.592 8.549 -8.867 1.00 7.75 H new ATOM 0 HA MET A 38 -31.468 8.940 -10.842 1.00 7.70 H new ATOM 0 HB2 MET A 38 -31.179 11.875 -10.112 1.00 8.48 H new ATOM 0 HB3 MET A 38 -31.984 11.302 -11.560 1.00 8.48 H new ATOM 0 HG2 MET A 38 -33.641 10.100 -10.226 1.00 9.45 H new ATOM 0 HG3 MET A 38 -32.792 10.496 -8.745 1.00 9.45 H new ATOM 0 HE1 MET A 38 -35.170 13.452 -11.375 1.00 10.82 H new ATOM 0 HE2 MET A 38 -33.493 13.063 -11.829 1.00 10.82 H new ATOM 0 HE3 MET A 38 -34.724 11.779 -11.786 1.00 10.82 H new ATOM 562 N GLY A 39 -29.034 11.039 -11.511 1.00 6.94 N ATOM 563 CA GLY A 39 -28.011 11.301 -12.499 1.00 6.72 C ATOM 564 C GLY A 39 -27.049 12.376 -12.059 1.00 6.82 C ATOM 565 O GLY A 39 -27.238 13.558 -12.339 1.00 7.22 O ATOM 0 H GLY A 39 -29.167 11.783 -10.826 1.00 6.94 H new ATOM 0 HA2 GLY A 39 -27.459 10.383 -12.699 1.00 6.72 H new ATOM 0 HA3 GLY A 39 -28.482 11.600 -13.435 1.00 6.72 H new ATOM 569 N SER A 40 -26.023 11.956 -11.356 1.00 6.70 N ATOM 570 CA SER A 40 -24.951 12.821 -10.955 1.00 7.03 C ATOM 571 C SER A 40 -23.673 12.017 -11.103 1.00 6.75 C ATOM 572 O SER A 40 -23.599 11.119 -11.944 1.00 7.15 O ATOM 573 CB SER A 40 -25.166 13.282 -9.503 1.00 7.71 C ATOM 574 OG SER A 40 -24.166 14.203 -9.092 1.00 7.71 O ATOM 0 H SER A 40 -25.913 10.991 -11.045 1.00 6.70 H new ATOM 0 HA SER A 40 -24.903 13.721 -11.567 1.00 7.03 H new ATOM 0 HB2 SER A 40 -26.148 13.745 -9.410 1.00 7.71 H new ATOM 0 HB3 SER A 40 -25.158 12.416 -8.841 1.00 7.71 H new ATOM 0 HG SER A 40 -24.334 14.476 -8.166 1.00 7.71 H new ATOM 580 N ARG A 41 -22.686 12.300 -10.290 1.00 6.32 N ATOM 581 CA ARG A 41 -21.462 11.533 -10.317 1.00 6.15 C ATOM 582 C ARG A 41 -21.334 10.789 -9.005 1.00 6.66 C ATOM 583 O ARG A 41 -20.277 10.253 -8.673 1.00 6.86 O ATOM 584 CB ARG A 41 -20.259 12.448 -10.530 1.00 5.64 C ATOM 585 CG ARG A 41 -20.150 13.015 -11.939 1.00 5.83 C ATOM 586 CD ARG A 41 -21.071 14.212 -12.142 1.00 6.30 C ATOM 587 NE ARG A 41 -21.172 14.616 -13.543 1.00 6.60 N ATOM 588 CZ ARG A 41 -21.533 15.837 -13.941 1.00 7.29 C ATOM 589 NH1 ARG A 41 -21.697 16.809 -13.049 1.00 7.72 N ATOM 590 NH2 ARG A 41 -21.702 16.090 -15.234 1.00 7.82 N ATOM 0 H ARG A 41 -22.704 13.053 -9.603 1.00 6.32 H new ATOM 0 HA ARG A 41 -21.490 10.824 -11.145 1.00 6.15 H new ATOM 0 HB2 ARG A 41 -20.314 13.274 -9.821 1.00 5.64 H new ATOM 0 HB3 ARG A 41 -19.349 11.893 -10.302 1.00 5.64 H new ATOM 0 HG2 ARG A 41 -19.119 13.313 -12.132 1.00 5.83 H new ATOM 0 HG3 ARG A 41 -20.398 12.239 -12.663 1.00 5.83 H new ATOM 0 HD2 ARG A 41 -22.065 13.968 -11.766 1.00 6.30 H new ATOM 0 HD3 ARG A 41 -20.704 15.052 -11.552 1.00 6.30 H new ATOM 0 HE ARG A 41 -20.953 13.923 -14.259 1.00 6.60 H new ATOM 0 HH11 ARG A 41 -21.547 16.622 -12.058 1.00 7.72 H new ATOM 0 HH12 ARG A 41 -21.973 17.742 -13.356 1.00 7.72 H new ATOM 0 HH21 ARG A 41 -21.556 15.351 -15.922 1.00 7.82 H new ATOM 0 HH22 ARG A 41 -21.978 17.023 -15.539 1.00 7.82 H new ATOM 604 N LYS A 42 -22.453 10.759 -8.281 1.00 7.18 N ATOM 605 CA LYS A 42 -22.511 10.208 -6.937 1.00 7.95 C ATOM 606 C LYS A 42 -21.652 11.040 -5.998 1.00 7.64 C ATOM 607 O LYS A 42 -21.135 12.094 -6.378 1.00 7.95 O ATOM 608 CB LYS A 42 -22.065 8.735 -6.903 1.00 8.85 C ATOM 609 CG LYS A 42 -23.082 7.754 -7.476 1.00 9.40 C ATOM 610 CD LYS A 42 -23.246 7.902 -8.980 1.00 8.95 C ATOM 611 CE LYS A 42 -24.191 6.853 -9.545 1.00 9.61 C ATOM 612 NZ LYS A 42 -23.697 5.468 -9.317 1.00 9.98 N ATOM 0 H LYS A 42 -23.346 11.119 -8.617 1.00 7.18 H new ATOM 0 HA LYS A 42 -23.549 10.244 -6.606 1.00 7.95 H new ATOM 0 HB2 LYS A 42 -21.132 8.638 -7.459 1.00 8.85 H new ATOM 0 HB3 LYS A 42 -21.852 8.457 -5.871 1.00 8.85 H new ATOM 0 HG2 LYS A 42 -22.770 6.735 -7.246 1.00 9.40 H new ATOM 0 HG3 LYS A 42 -24.046 7.909 -6.991 1.00 9.40 H new ATOM 0 HD2 LYS A 42 -23.627 8.897 -9.209 1.00 8.95 H new ATOM 0 HD3 LYS A 42 -22.273 7.814 -9.463 1.00 8.95 H new ATOM 0 HE2 LYS A 42 -25.173 6.967 -9.086 1.00 9.61 H new ATOM 0 HE3 LYS A 42 -24.318 7.020 -10.615 1.00 9.61 H new ATOM 0 HZ1 LYS A 42 -24.199 4.812 -9.949 1.00 9.98 H new ATOM 0 HZ2 LYS A 42 -22.677 5.426 -9.514 1.00 9.98 H new ATOM 0 HZ3 LYS A 42 -23.870 5.196 -8.328 1.00 9.98 H new ATOM 626 N ASN A 43 -21.530 10.583 -4.773 1.00 7.18 N ATOM 627 CA ASN A 43 -20.658 11.228 -3.804 1.00 6.90 C ATOM 628 C ASN A 43 -19.479 10.338 -3.495 1.00 6.59 C ATOM 629 O ASN A 43 -19.589 9.376 -2.733 1.00 7.32 O ATOM 630 CB ASN A 43 -21.404 11.581 -2.514 1.00 7.86 C ATOM 631 CG ASN A 43 -20.546 12.377 -1.538 1.00 7.89 C ATOM 632 OD1 ASN A 43 -19.677 13.151 -1.934 1.00 7.84 O ATOM 633 ND2 ASN A 43 -20.797 12.202 -0.248 1.00 8.26 N ATOM 0 H ASN A 43 -22.024 9.764 -4.418 1.00 7.18 H new ATOM 0 HA ASN A 43 -20.304 12.159 -4.246 1.00 6.90 H new ATOM 0 HB2 ASN A 43 -22.296 12.157 -2.761 1.00 7.86 H new ATOM 0 HB3 ASN A 43 -21.741 10.664 -2.031 1.00 7.86 H new ATOM 0 HD21 ASN A 43 -20.262 12.718 0.450 1.00 8.26 H new ATOM 0 HD22 ASN A 43 -21.526 11.552 0.046 1.00 8.26 H new ATOM 640 N PRO A 44 -18.340 10.627 -4.119 1.00 5.79 N ATOM 641 CA PRO A 44 -17.109 9.915 -3.843 1.00 5.83 C ATOM 642 C PRO A 44 -16.443 10.465 -2.587 1.00 5.83 C ATOM 643 O PRO A 44 -17.121 10.966 -1.686 1.00 6.26 O ATOM 644 CB PRO A 44 -16.270 10.204 -5.088 1.00 5.35 C ATOM 645 CG PRO A 44 -16.703 11.565 -5.517 1.00 4.82 C ATOM 646 CD PRO A 44 -18.159 11.674 -5.148 1.00 5.18 C ATOM 0 HA PRO A 44 -17.248 8.850 -3.658 1.00 5.83 H new ATOM 0 HB2 PRO A 44 -15.204 10.178 -4.864 1.00 5.35 H new ATOM 0 HB3 PRO A 44 -16.449 9.465 -5.869 1.00 5.35 H new ATOM 0 HG2 PRO A 44 -16.116 12.336 -5.019 1.00 4.82 H new ATOM 0 HG3 PRO A 44 -16.561 11.699 -6.589 1.00 4.82 H new ATOM 0 HD2 PRO A 44 -18.400 12.663 -4.759 1.00 5.18 H new ATOM 0 HD3 PRO A 44 -18.804 11.504 -6.010 1.00 5.18 H new ATOM 654 N ASP A 45 -15.131 10.385 -2.518 1.00 5.59 N ATOM 655 CA ASP A 45 -14.419 10.942 -1.379 1.00 5.67 C ATOM 656 C ASP A 45 -13.265 11.819 -1.847 1.00 5.46 C ATOM 657 O ASP A 45 -12.149 11.342 -2.052 1.00 5.44 O ATOM 658 CB ASP A 45 -13.899 9.840 -0.457 1.00 6.26 C ATOM 659 CG ASP A 45 -13.569 10.370 0.925 1.00 6.73 C ATOM 660 OD1 ASP A 45 -12.664 11.225 1.030 1.00 7.06 O ATOM 661 OD2 ASP A 45 -14.205 9.935 1.909 1.00 6.98 O ATOM 0 H ASP A 45 -14.539 9.947 -3.224 1.00 5.59 H new ATOM 0 HA ASP A 45 -15.123 11.554 -0.815 1.00 5.67 H new ATOM 0 HB2 ASP A 45 -14.647 9.052 -0.375 1.00 6.26 H new ATOM 0 HB3 ASP A 45 -13.009 9.389 -0.896 1.00 6.26 H new ATOM 666 N PRO A 46 -13.534 13.110 -2.078 1.00 5.77 N ATOM 667 CA PRO A 46 -12.508 14.075 -2.455 1.00 6.07 C ATOM 668 C PRO A 46 -11.763 14.616 -1.239 1.00 6.28 C ATOM 669 O PRO A 46 -10.755 15.311 -1.375 1.00 6.83 O ATOM 670 CB PRO A 46 -13.296 15.201 -3.145 1.00 6.80 C ATOM 671 CG PRO A 46 -14.745 14.810 -3.067 1.00 6.93 C ATOM 672 CD PRO A 46 -14.855 13.732 -2.028 1.00 6.33 C ATOM 0 HA PRO A 46 -11.744 13.629 -3.092 1.00 6.07 H new ATOM 0 HB2 PRO A 46 -13.124 16.156 -2.649 1.00 6.80 H new ATOM 0 HB3 PRO A 46 -12.980 15.318 -4.182 1.00 6.80 H new ATOM 0 HG2 PRO A 46 -15.362 15.668 -2.799 1.00 6.93 H new ATOM 0 HG3 PRO A 46 -15.100 14.452 -4.033 1.00 6.93 H new ATOM 0 HD2 PRO A 46 -15.075 14.140 -1.041 1.00 6.33 H new ATOM 0 HD3 PRO A 46 -15.647 13.021 -2.263 1.00 6.33 H new ATOM 680 N LEU A 47 -12.254 14.279 -0.049 1.00 6.19 N ATOM 681 CA LEU A 47 -11.686 14.791 1.193 1.00 6.74 C ATOM 682 C LEU A 47 -10.403 14.047 1.555 1.00 6.79 C ATOM 683 O LEU A 47 -9.506 14.614 2.178 1.00 7.54 O ATOM 684 CB LEU A 47 -12.693 14.686 2.347 1.00 7.04 C ATOM 685 CG LEU A 47 -13.897 15.633 2.271 1.00 7.00 C ATOM 686 CD1 LEU A 47 -13.442 17.063 2.017 1.00 6.92 C ATOM 687 CD2 LEU A 47 -14.890 15.185 1.208 1.00 7.53 C ATOM 0 H LEU A 47 -13.047 13.651 0.080 1.00 6.19 H new ATOM 0 HA LEU A 47 -11.448 15.843 1.034 1.00 6.74 H new ATOM 0 HB2 LEU A 47 -13.063 13.661 2.389 1.00 7.04 H new ATOM 0 HB3 LEU A 47 -12.166 14.874 3.282 1.00 7.04 H new ATOM 0 HG LEU A 47 -14.407 15.600 3.234 1.00 7.00 H new ATOM 0 HD11 LEU A 47 -14.312 17.718 1.967 1.00 6.92 H new ATOM 0 HD12 LEU A 47 -12.790 17.387 2.828 1.00 6.92 H new ATOM 0 HD13 LEU A 47 -12.898 17.110 1.074 1.00 6.92 H new ATOM 0 HD21 LEU A 47 -15.731 15.878 1.181 1.00 7.53 H new ATOM 0 HD22 LEU A 47 -14.399 15.171 0.235 1.00 7.53 H new ATOM 0 HD23 LEU A 47 -15.252 14.185 1.446 1.00 7.53 H new ATOM 699 N ALA A 48 -10.314 12.787 1.146 1.00 6.28 N ATOM 700 CA ALA A 48 -9.116 11.991 1.389 1.00 6.64 C ATOM 701 C ALA A 48 -7.974 12.456 0.492 1.00 6.21 C ATOM 702 O ALA A 48 -6.822 12.058 0.667 1.00 6.37 O ATOM 703 CB ALA A 48 -9.401 10.511 1.159 1.00 7.26 C ATOM 0 H ALA A 48 -11.055 12.295 0.646 1.00 6.28 H new ATOM 0 HA ALA A 48 -8.818 12.129 2.429 1.00 6.64 H new ATOM 0 HB1 ALA A 48 -8.496 9.933 1.345 1.00 7.26 H new ATOM 0 HB2 ALA A 48 -10.188 10.182 1.838 1.00 7.26 H new ATOM 0 HB3 ALA A 48 -9.724 10.358 0.129 1.00 7.26 H new ATOM 709 N THR A 49 -8.307 13.314 -0.459 1.00 5.97 N ATOM 710 CA THR A 49 -7.341 13.841 -1.397 1.00 5.78 C ATOM 711 C THR A 49 -7.310 15.359 -1.313 1.00 5.51 C ATOM 712 O THR A 49 -7.760 16.057 -2.218 1.00 5.78 O ATOM 713 CB THR A 49 -7.660 13.409 -2.842 1.00 5.98 C ATOM 714 OG1 THR A 49 -9.036 13.691 -3.156 1.00 6.42 O ATOM 715 CG2 THR A 49 -7.386 11.927 -3.036 1.00 6.50 C ATOM 0 H THR A 49 -9.256 13.662 -0.599 1.00 5.97 H new ATOM 0 HA THR A 49 -6.364 13.437 -1.130 1.00 5.78 H new ATOM 0 HB THR A 49 -7.015 13.975 -3.513 1.00 5.98 H new ATOM 0 HG1 THR A 49 -9.411 14.290 -2.476 1.00 6.42 H new ATOM 0 HG21 THR A 49 -7.618 11.645 -4.063 1.00 6.50 H new ATOM 0 HG22 THR A 49 -6.335 11.722 -2.832 1.00 6.50 H new ATOM 0 HG23 THR A 49 -8.008 11.349 -2.352 1.00 6.50 H new ATOM 723 N GLU A 50 -6.794 15.863 -0.202 1.00 5.40 N ATOM 724 CA GLU A 50 -6.729 17.299 0.023 1.00 5.68 C ATOM 725 C GLU A 50 -5.394 17.853 -0.471 1.00 5.52 C ATOM 726 O GLU A 50 -5.090 19.033 -0.270 1.00 5.73 O ATOM 727 CB GLU A 50 -6.927 17.610 1.511 1.00 6.30 C ATOM 728 CG GLU A 50 -5.891 16.967 2.414 1.00 7.02 C ATOM 729 CD GLU A 50 -6.129 17.273 3.878 1.00 8.02 C ATOM 730 OE1 GLU A 50 -5.988 18.449 4.278 1.00 8.40 O ATOM 731 OE2 GLU A 50 -6.445 16.337 4.640 1.00 8.59 O ATOM 0 H GLU A 50 -6.414 15.299 0.558 1.00 5.40 H new ATOM 0 HA GLU A 50 -7.529 17.780 -0.540 1.00 5.68 H new ATOM 0 HB2 GLU A 50 -6.899 18.690 1.654 1.00 6.30 H new ATOM 0 HB3 GLU A 50 -7.919 17.274 1.814 1.00 6.30 H new ATOM 0 HG2 GLU A 50 -5.904 15.887 2.265 1.00 7.02 H new ATOM 0 HG3 GLU A 50 -4.899 17.317 2.130 1.00 7.02 H new ATOM 738 N GLU A 51 -4.618 16.975 -1.127 1.00 5.43 N ATOM 739 CA GLU A 51 -3.281 17.294 -1.629 1.00 5.45 C ATOM 740 C GLU A 51 -2.407 17.852 -0.520 1.00 5.48 C ATOM 741 O GLU A 51 -2.290 19.060 -0.338 1.00 5.85 O ATOM 742 CB GLU A 51 -3.347 18.234 -2.831 1.00 5.47 C ATOM 743 CG GLU A 51 -3.922 17.556 -4.061 1.00 6.03 C ATOM 744 CD GLU A 51 -3.873 18.421 -5.301 1.00 6.79 C ATOM 745 OE1 GLU A 51 -2.819 18.452 -5.971 1.00 6.93 O ATOM 746 OE2 GLU A 51 -4.882 19.093 -5.601 1.00 7.46 O ATOM 0 H GLU A 51 -4.908 16.017 -1.323 1.00 5.43 H new ATOM 0 HA GLU A 51 -2.820 16.369 -1.975 1.00 5.45 H new ATOM 0 HB2 GLU A 51 -3.957 19.101 -2.578 1.00 5.47 H new ATOM 0 HB3 GLU A 51 -2.346 18.603 -3.056 1.00 5.47 H new ATOM 0 HG2 GLU A 51 -3.373 16.633 -4.249 1.00 6.03 H new ATOM 0 HG3 GLU A 51 -4.957 17.276 -3.863 1.00 6.03 H new ATOM 753 N VAL A 52 -1.801 16.937 0.225 1.00 5.42 N ATOM 754 CA VAL A 52 -1.046 17.279 1.424 1.00 5.86 C ATOM 755 C VAL A 52 0.435 17.557 1.110 1.00 6.11 C ATOM 756 O VAL A 52 0.918 18.661 1.361 1.00 6.55 O ATOM 757 CB VAL A 52 -1.162 16.163 2.491 1.00 6.43 C ATOM 758 CG1 VAL A 52 -0.505 16.589 3.796 1.00 6.99 C ATOM 759 CG2 VAL A 52 -2.618 15.782 2.720 1.00 6.80 C ATOM 0 H VAL A 52 -1.819 15.939 0.016 1.00 5.42 H new ATOM 0 HA VAL A 52 -1.482 18.195 1.823 1.00 5.86 H new ATOM 0 HB VAL A 52 -0.635 15.285 2.118 1.00 6.43 H new ATOM 0 HG11 VAL A 52 -0.600 15.788 4.529 1.00 6.99 H new ATOM 0 HG12 VAL A 52 0.550 16.798 3.621 1.00 6.99 H new ATOM 0 HG13 VAL A 52 -0.994 17.487 4.174 1.00 6.99 H new ATOM 0 HG21 VAL A 52 -2.674 14.996 3.473 1.00 6.80 H new ATOM 0 HG22 VAL A 52 -3.173 16.655 3.064 1.00 6.80 H new ATOM 0 HG23 VAL A 52 -3.051 15.421 1.787 1.00 6.80 H new ATOM 769 N PRO A 53 1.178 16.587 0.531 1.00 6.09 N ATOM 770 CA PRO A 53 2.619 16.752 0.272 1.00 6.51 C ATOM 771 C PRO A 53 2.921 17.700 -0.891 1.00 6.99 C ATOM 772 O PRO A 53 4.081 17.994 -1.186 1.00 7.85 O ATOM 773 CB PRO A 53 3.077 15.337 -0.073 1.00 6.60 C ATOM 774 CG PRO A 53 1.869 14.683 -0.652 1.00 6.37 C ATOM 775 CD PRO A 53 0.691 15.265 0.078 1.00 6.00 C ATOM 0 HA PRO A 53 3.127 17.195 1.128 1.00 6.51 H new ATOM 0 HB2 PRO A 53 3.901 15.350 -0.786 1.00 6.60 H new ATOM 0 HB3 PRO A 53 3.429 14.807 0.812 1.00 6.60 H new ATOM 0 HG2 PRO A 53 1.797 14.874 -1.723 1.00 6.37 H new ATOM 0 HG3 PRO A 53 1.912 13.601 -0.524 1.00 6.37 H new ATOM 0 HD2 PRO A 53 -0.177 15.360 -0.574 1.00 6.00 H new ATOM 0 HD3 PRO A 53 0.391 14.639 0.918 1.00 6.00 H new ATOM 783 N ASN A 54 1.875 18.174 -1.551 1.00 6.65 N ATOM 784 CA ASN A 54 2.032 19.048 -2.705 1.00 7.32 C ATOM 785 C ASN A 54 1.049 20.211 -2.635 1.00 7.87 C ATOM 786 O ASN A 54 0.776 20.862 -3.643 1.00 8.62 O ATOM 787 CB ASN A 54 1.807 18.253 -3.995 1.00 7.53 C ATOM 788 CG ASN A 54 0.393 17.696 -4.109 1.00 7.80 C ATOM 789 OD1 ASN A 54 -0.225 17.305 -3.116 1.00 7.76 O ATOM 790 ND2 ASN A 54 -0.128 17.668 -5.321 1.00 8.37 N ATOM 0 H ASN A 54 0.906 17.968 -1.307 1.00 6.65 H new ATOM 0 HA ASN A 54 3.045 19.449 -2.701 1.00 7.32 H new ATOM 0 HB2 ASN A 54 2.009 18.896 -4.852 1.00 7.53 H new ATOM 0 HB3 ASN A 54 2.521 17.430 -4.038 1.00 7.53 H new ATOM 0 HD21 ASN A 54 -1.074 17.314 -5.461 1.00 8.37 H new ATOM 0 HD22 ASN A 54 0.415 18.001 -6.118 1.00 8.37 H new ATOM 797 N GLN A 55 0.560 20.483 -1.424 1.00 7.71 N ATOM 798 CA GLN A 55 -0.483 21.489 -1.195 1.00 8.46 C ATOM 799 C GLN A 55 -0.155 22.815 -1.878 1.00 8.71 C ATOM 800 O GLN A 55 -0.946 23.322 -2.671 1.00 9.31 O ATOM 801 CB GLN A 55 -0.683 21.706 0.308 1.00 9.37 C ATOM 802 CG GLN A 55 -1.767 22.717 0.644 1.00 9.49 C ATOM 803 CD GLN A 55 -2.036 22.807 2.136 1.00 9.90 C ATOM 804 OE1 GLN A 55 -2.397 23.863 2.651 1.00 10.49 O ATOM 805 NE2 GLN A 55 -1.875 21.694 2.840 1.00 9.79 N ATOM 0 H GLN A 55 0.874 20.014 -0.574 1.00 7.71 H new ATOM 0 HA GLN A 55 -1.407 21.112 -1.634 1.00 8.46 H new ATOM 0 HB2 GLN A 55 -0.932 20.752 0.773 1.00 9.37 H new ATOM 0 HB3 GLN A 55 0.258 22.038 0.746 1.00 9.37 H new ATOM 0 HG2 GLN A 55 -1.472 23.698 0.271 1.00 9.49 H new ATOM 0 HG3 GLN A 55 -2.687 22.443 0.128 1.00 9.49 H new ATOM 0 HE21 GLN A 55 -1.574 20.837 2.377 1.00 9.79 H new ATOM 0 HE22 GLN A 55 -2.052 21.696 3.844 1.00 9.79 H new ATOM 814 N GLU A 56 1.011 23.372 -1.578 1.00 8.44 N ATOM 815 CA GLU A 56 1.424 24.627 -2.186 1.00 8.86 C ATOM 816 C GLU A 56 2.822 24.488 -2.775 1.00 8.25 C ATOM 817 O GLU A 56 3.797 24.973 -2.197 1.00 8.21 O ATOM 818 CB GLU A 56 1.373 25.773 -1.160 1.00 9.28 C ATOM 819 CG GLU A 56 1.603 27.154 -1.764 1.00 10.30 C ATOM 820 CD GLU A 56 0.569 27.514 -2.809 1.00 10.82 C ATOM 821 OE1 GLU A 56 -0.531 27.977 -2.434 1.00 11.15 O ATOM 822 OE2 GLU A 56 0.848 27.336 -4.011 1.00 11.07 O ATOM 0 H GLU A 56 1.683 22.976 -0.921 1.00 8.44 H new ATOM 0 HA GLU A 56 0.731 24.869 -2.992 1.00 8.86 H new ATOM 0 HB2 GLU A 56 0.402 25.761 -0.665 1.00 9.28 H new ATOM 0 HB3 GLU A 56 2.125 25.593 -0.392 1.00 9.28 H new ATOM 0 HG2 GLU A 56 1.586 27.901 -0.970 1.00 10.30 H new ATOM 0 HG3 GLU A 56 2.595 27.189 -2.214 1.00 10.30 H new ATOM 829 N GLN A 57 2.902 23.784 -3.910 1.00 8.02 N ATOM 830 CA GLN A 57 4.155 23.570 -4.637 1.00 7.71 C ATOM 831 C GLN A 57 5.123 22.677 -3.858 1.00 6.84 C ATOM 832 O GLN A 57 5.377 21.537 -4.252 1.00 6.77 O ATOM 833 CB GLN A 57 4.820 24.910 -4.976 1.00 8.64 C ATOM 834 CG GLN A 57 3.990 25.781 -5.913 1.00 9.62 C ATOM 835 CD GLN A 57 4.568 27.172 -6.103 1.00 10.46 C ATOM 836 OE1 GLN A 57 4.434 27.774 -7.170 1.00 10.72 O ATOM 837 NE2 GLN A 57 5.203 27.702 -5.067 1.00 11.09 N ATOM 0 H GLN A 57 2.094 23.345 -4.351 1.00 8.02 H new ATOM 0 HA GLN A 57 3.906 23.054 -5.565 1.00 7.71 H new ATOM 0 HB2 GLN A 57 5.006 25.458 -4.052 1.00 8.64 H new ATOM 0 HB3 GLN A 57 5.790 24.719 -5.434 1.00 8.64 H new ATOM 0 HG2 GLN A 57 3.914 25.290 -6.883 1.00 9.62 H new ATOM 0 HG3 GLN A 57 2.977 25.866 -5.519 1.00 9.62 H new ATOM 0 HE21 GLN A 57 5.294 27.173 -4.200 1.00 11.09 H new ATOM 0 HE22 GLN A 57 5.601 28.639 -5.137 1.00 11.09 H new ATOM 846 N ILE A 58 5.619 23.196 -2.738 1.00 6.43 N ATOM 847 CA ILE A 58 6.666 22.549 -1.953 1.00 5.79 C ATOM 848 C ILE A 58 7.964 22.491 -2.758 1.00 5.74 C ATOM 849 O ILE A 58 8.280 21.485 -3.394 1.00 5.48 O ATOM 850 CB ILE A 58 6.264 21.130 -1.482 1.00 5.36 C ATOM 851 CG1 ILE A 58 4.933 21.173 -0.719 1.00 5.76 C ATOM 852 CG2 ILE A 58 7.351 20.518 -0.605 1.00 5.36 C ATOM 853 CD1 ILE A 58 4.946 22.071 0.504 1.00 6.29 C ATOM 0 H ILE A 58 5.303 24.084 -2.347 1.00 6.43 H new ATOM 0 HA ILE A 58 6.816 23.151 -1.057 1.00 5.79 H new ATOM 0 HB ILE A 58 6.143 20.505 -2.366 1.00 5.36 H new ATOM 0 HG12 ILE A 58 4.149 21.512 -1.397 1.00 5.76 H new ATOM 0 HG13 ILE A 58 4.671 20.161 -0.410 1.00 5.76 H new ATOM 0 HG21 ILE A 58 7.044 19.522 -0.287 1.00 5.36 H new ATOM 0 HG22 ILE A 58 8.279 20.448 -1.172 1.00 5.36 H new ATOM 0 HG23 ILE A 58 7.508 21.146 0.272 1.00 5.36 H new ATOM 0 HD11 ILE A 58 3.968 22.045 0.985 1.00 6.29 H new ATOM 0 HD12 ILE A 58 5.705 21.721 1.204 1.00 6.29 H new ATOM 0 HD13 ILE A 58 5.175 23.093 0.202 1.00 6.29 H new ATOM 865 N PRO A 59 8.720 23.602 -2.754 1.00 6.40 N ATOM 866 CA PRO A 59 9.963 23.719 -3.520 1.00 6.85 C ATOM 867 C PRO A 59 11.143 23.029 -2.840 1.00 6.63 C ATOM 868 O PRO A 59 12.232 22.947 -3.411 1.00 7.28 O ATOM 869 CB PRO A 59 10.181 25.230 -3.578 1.00 7.95 C ATOM 870 CG PRO A 59 9.571 25.747 -2.319 1.00 8.02 C ATOM 871 CD PRO A 59 8.410 24.835 -2.006 1.00 7.12 C ATOM 0 HA PRO A 59 9.893 23.239 -4.496 1.00 6.85 H new ATOM 0 HB2 PRO A 59 11.241 25.476 -3.635 1.00 7.95 H new ATOM 0 HB3 PRO A 59 9.706 25.666 -4.457 1.00 7.95 H new ATOM 0 HG2 PRO A 59 10.297 25.745 -1.506 1.00 8.02 H new ATOM 0 HG3 PRO A 59 9.234 26.776 -2.444 1.00 8.02 H new ATOM 0 HD2 PRO A 59 8.328 24.644 -0.936 1.00 7.12 H new ATOM 0 HD3 PRO A 59 7.463 25.269 -2.325 1.00 7.12 H new ATOM 879 N GLU A 60 10.908 22.561 -1.610 1.00 5.93 N ATOM 880 CA GLU A 60 11.906 21.843 -0.811 1.00 5.88 C ATOM 881 C GLU A 60 13.010 22.766 -0.296 1.00 5.80 C ATOM 882 O GLU A 60 13.410 22.660 0.868 1.00 5.92 O ATOM 883 CB GLU A 60 12.534 20.684 -1.591 1.00 5.78 C ATOM 884 CG GLU A 60 11.545 19.612 -2.018 1.00 5.71 C ATOM 885 CD GLU A 60 12.236 18.428 -2.655 1.00 6.20 C ATOM 886 OE1 GLU A 60 12.782 18.581 -3.764 1.00 6.44 O ATOM 887 OE2 GLU A 60 12.220 17.332 -2.058 1.00 6.61 O ATOM 0 H GLU A 60 10.011 22.671 -1.137 1.00 5.93 H new ATOM 0 HA GLU A 60 11.366 21.440 0.046 1.00 5.88 H new ATOM 0 HB2 GLU A 60 13.026 21.082 -2.478 1.00 5.78 H new ATOM 0 HB3 GLU A 60 13.308 20.224 -0.976 1.00 5.78 H new ATOM 0 HG2 GLU A 60 10.976 19.277 -1.151 1.00 5.71 H new ATOM 0 HG3 GLU A 60 10.830 20.037 -2.723 1.00 5.71 H new ATOM 894 N GLU A 61 13.516 23.638 -1.178 1.00 5.98 N ATOM 895 CA GLU A 61 14.602 24.576 -0.860 1.00 6.40 C ATOM 896 C GLU A 61 15.946 23.849 -0.799 1.00 6.67 C ATOM 897 O GLU A 61 16.965 24.369 -1.251 1.00 7.45 O ATOM 898 CB GLU A 61 14.321 25.327 0.447 1.00 6.95 C ATOM 899 CG GLU A 61 13.070 26.190 0.388 1.00 7.52 C ATOM 900 CD GLU A 61 12.678 26.749 1.740 1.00 8.17 C ATOM 901 OE1 GLU A 61 11.964 26.057 2.495 1.00 8.32 O ATOM 902 OE2 GLU A 61 13.100 27.878 2.060 1.00 8.72 O ATOM 0 H GLU A 61 13.181 23.713 -2.139 1.00 5.98 H new ATOM 0 HA GLU A 61 14.653 25.314 -1.660 1.00 6.40 H new ATOM 0 HB2 GLU A 61 14.218 24.606 1.258 1.00 6.95 H new ATOM 0 HB3 GLU A 61 15.178 25.957 0.687 1.00 6.95 H new ATOM 0 HG2 GLU A 61 13.235 27.014 -0.307 1.00 7.52 H new ATOM 0 HG3 GLU A 61 12.245 25.599 -0.009 1.00 7.52 H new ATOM 909 N GLY A 62 15.935 22.652 -0.241 1.00 6.22 N ATOM 910 CA GLY A 62 17.122 21.815 -0.212 1.00 6.69 C ATOM 911 C GLY A 62 17.661 21.666 1.190 1.00 6.92 C ATOM 912 O GLY A 62 17.830 20.557 1.696 1.00 7.40 O ATOM 0 H GLY A 62 15.115 22.236 0.200 1.00 6.22 H new ATOM 0 HA2 GLY A 62 16.885 20.832 -0.618 1.00 6.69 H new ATOM 0 HA3 GLY A 62 17.889 22.248 -0.854 1.00 6.69 H new ATOM 916 N PHE A 63 17.903 22.798 1.818 1.00 6.81 N ATOM 917 CA PHE A 63 18.361 22.854 3.203 1.00 7.27 C ATOM 918 C PHE A 63 17.186 22.656 4.156 1.00 6.90 C ATOM 919 O PHE A 63 17.019 23.409 5.112 1.00 7.34 O ATOM 920 CB PHE A 63 19.034 24.205 3.459 1.00 8.02 C ATOM 921 CG PHE A 63 18.327 25.354 2.788 1.00 7.85 C ATOM 922 CD1 PHE A 63 17.235 25.964 3.383 1.00 8.09 C ATOM 923 CD2 PHE A 63 18.746 25.808 1.546 1.00 7.70 C ATOM 924 CE1 PHE A 63 16.577 27.003 2.756 1.00 8.21 C ATOM 925 CE2 PHE A 63 18.088 26.843 0.912 1.00 7.74 C ATOM 926 CZ PHE A 63 17.005 27.441 1.517 1.00 8.00 C ATOM 0 H PHE A 63 17.789 23.714 1.385 1.00 6.81 H new ATOM 0 HA PHE A 63 19.081 22.055 3.378 1.00 7.27 H new ATOM 0 HB2 PHE A 63 19.073 24.387 4.533 1.00 8.02 H new ATOM 0 HB3 PHE A 63 20.064 24.164 3.105 1.00 8.02 H new ATOM 0 HD1 PHE A 63 16.894 25.623 4.349 1.00 8.09 H new ATOM 0 HD2 PHE A 63 19.598 25.346 1.069 1.00 7.70 H new ATOM 0 HE1 PHE A 63 15.729 27.473 3.233 1.00 8.21 H new ATOM 0 HE2 PHE A 63 18.422 27.183 -0.057 1.00 7.74 H new ATOM 0 HZ PHE A 63 16.490 28.252 1.023 1.00 8.00 H new ATOM 936 N ILE A 64 16.394 21.619 3.874 1.00 6.31 N ATOM 937 CA ILE A 64 15.159 21.324 4.602 1.00 6.14 C ATOM 938 C ILE A 64 15.365 21.414 6.115 1.00 6.65 C ATOM 939 O ILE A 64 14.867 22.335 6.766 1.00 6.98 O ATOM 940 CB ILE A 64 14.633 19.918 4.218 1.00 5.61 C ATOM 941 CG1 ILE A 64 14.390 19.834 2.705 1.00 5.10 C ATOM 942 CG2 ILE A 64 13.361 19.595 4.982 1.00 5.86 C ATOM 943 CD1 ILE A 64 14.010 18.448 2.228 1.00 5.02 C ATOM 0 H ILE A 64 16.594 20.954 3.127 1.00 6.31 H new ATOM 0 HA ILE A 64 14.419 22.073 4.320 1.00 6.14 H new ATOM 0 HB ILE A 64 15.389 19.181 4.489 1.00 5.61 H new ATOM 0 HG12 ILE A 64 13.598 20.532 2.433 1.00 5.10 H new ATOM 0 HG13 ILE A 64 15.291 20.155 2.182 1.00 5.10 H new ATOM 0 HG21 ILE A 64 13.008 18.604 4.698 1.00 5.86 H new ATOM 0 HG22 ILE A 64 13.565 19.615 6.053 1.00 5.86 H new ATOM 0 HG23 ILE A 64 12.596 20.334 4.744 1.00 5.86 H new ATOM 0 HD11 ILE A 64 13.854 18.465 1.149 1.00 5.02 H new ATOM 0 HD12 ILE A 64 14.811 17.748 2.468 1.00 5.02 H new ATOM 0 HD13 ILE A 64 13.092 18.132 2.723 1.00 5.02 H new ATOM 955 N HIS A 65 16.086 20.455 6.677 1.00 6.99 N ATOM 956 CA HIS A 65 16.460 20.529 8.084 1.00 7.71 C ATOM 957 C HIS A 65 17.909 20.084 8.309 1.00 7.41 C ATOM 958 O HIS A 65 18.370 20.054 9.450 1.00 7.99 O ATOM 959 CB HIS A 65 15.500 19.698 8.951 1.00 8.57 C ATOM 960 CG HIS A 65 14.133 20.300 9.093 1.00 9.17 C ATOM 961 ND1 HIS A 65 13.836 21.258 10.031 1.00 9.64 N ATOM 962 CD2 HIS A 65 12.994 20.105 8.391 1.00 9.60 C ATOM 963 CE1 HIS A 65 12.575 21.623 9.906 1.00 10.31 C ATOM 964 NE2 HIS A 65 12.034 20.938 8.914 1.00 10.28 N ATOM 0 H HIS A 65 16.421 19.625 6.188 1.00 6.99 H new ATOM 0 HA HIS A 65 16.383 21.574 8.386 1.00 7.71 H new ATOM 0 HB2 HIS A 65 15.405 18.702 8.518 1.00 8.57 H new ATOM 0 HB3 HIS A 65 15.936 19.574 9.942 1.00 8.57 H new ATOM 0 HD2 HIS A 65 12.862 19.418 7.568 1.00 9.60 H new ATOM 0 HE1 HIS A 65 12.069 22.359 10.513 1.00 10.31 H new ATOM 0 HE2 HIS A 65 11.069 21.014 8.592 1.00 10.28 H new ATOM 973 N THR A 66 18.625 19.748 7.212 1.00 6.67 N ATOM 974 CA THR A 66 20.037 19.327 7.260 1.00 6.47 C ATOM 975 C THR A 66 20.340 18.312 8.372 1.00 6.60 C ATOM 976 O THR A 66 21.476 18.194 8.825 1.00 6.62 O ATOM 977 CB THR A 66 20.984 20.545 7.372 1.00 6.64 C ATOM 978 OG1 THR A 66 20.306 21.661 7.961 1.00 7.18 O ATOM 979 CG2 THR A 66 21.509 20.940 6.001 1.00 6.82 C ATOM 0 H THR A 66 18.236 19.762 6.269 1.00 6.67 H new ATOM 0 HA THR A 66 20.221 18.817 6.314 1.00 6.47 H new ATOM 0 HB THR A 66 21.821 20.260 8.009 1.00 6.64 H new ATOM 0 HG1 THR A 66 20.921 22.421 8.025 1.00 7.18 H new ATOM 0 HG21 THR A 66 22.173 21.798 6.099 1.00 6.82 H new ATOM 0 HG22 THR A 66 22.058 20.104 5.567 1.00 6.82 H new ATOM 0 HG23 THR A 66 20.673 21.201 5.352 1.00 6.82 H new ATOM 987 N GLN A 67 19.329 17.546 8.765 1.00 6.89 N ATOM 988 CA GLN A 67 19.480 16.530 9.802 1.00 7.37 C ATOM 989 C GLN A 67 20.346 15.380 9.296 1.00 7.24 C ATOM 990 O GLN A 67 20.933 14.630 10.075 1.00 7.66 O ATOM 991 CB GLN A 67 18.094 16.016 10.214 1.00 8.01 C ATOM 992 CG GLN A 67 18.106 14.866 11.215 1.00 8.35 C ATOM 993 CD GLN A 67 18.648 15.264 12.575 1.00 9.02 C ATOM 994 OE1 GLN A 67 17.904 15.711 13.446 1.00 9.58 O ATOM 995 NE2 GLN A 67 19.946 15.095 12.770 1.00 9.24 N ATOM 0 H GLN A 67 18.388 17.610 8.378 1.00 6.89 H new ATOM 0 HA GLN A 67 19.972 16.970 10.669 1.00 7.37 H new ATOM 0 HB2 GLN A 67 17.528 16.844 10.641 1.00 8.01 H new ATOM 0 HB3 GLN A 67 17.562 15.694 9.319 1.00 8.01 H new ATOM 0 HG2 GLN A 67 17.092 14.484 11.333 1.00 8.35 H new ATOM 0 HG3 GLN A 67 18.709 14.051 10.815 1.00 8.35 H new ATOM 0 HE21 GLN A 67 20.530 14.721 12.022 1.00 9.24 H new ATOM 0 HE22 GLN A 67 20.363 15.339 13.669 1.00 9.24 H new ATOM 1004 N TYR A 68 20.443 15.274 7.984 1.00 6.89 N ATOM 1005 CA TYR A 68 21.131 14.163 7.358 1.00 7.01 C ATOM 1006 C TYR A 68 22.567 14.545 7.015 1.00 6.55 C ATOM 1007 O TYR A 68 23.382 13.700 6.634 1.00 6.81 O ATOM 1008 CB TYR A 68 20.370 13.757 6.102 1.00 7.18 C ATOM 1009 CG TYR A 68 20.558 12.309 5.709 1.00 7.77 C ATOM 1010 CD1 TYR A 68 19.833 11.291 6.315 1.00 8.20 C ATOM 1011 CD2 TYR A 68 21.471 11.965 4.723 1.00 8.17 C ATOM 1012 CE1 TYR A 68 20.019 9.969 5.954 1.00 8.96 C ATOM 1013 CE2 TYR A 68 21.661 10.649 4.355 1.00 8.94 C ATOM 1014 CZ TYR A 68 20.876 9.639 5.003 1.00 9.31 C ATOM 1015 OH TYR A 68 21.132 8.341 4.613 1.00 10.22 O ATOM 0 H TYR A 68 20.051 15.949 7.328 1.00 6.89 H new ATOM 0 HA TYR A 68 21.168 13.321 8.050 1.00 7.01 H new ATOM 0 HB2 TYR A 68 19.308 13.946 6.257 1.00 7.18 H new ATOM 0 HB3 TYR A 68 20.689 14.391 5.275 1.00 7.18 H new ATOM 0 HD1 TYR A 68 19.112 11.536 7.081 1.00 8.20 H new ATOM 0 HD2 TYR A 68 22.043 12.740 4.235 1.00 8.17 H new ATOM 0 HE1 TYR A 68 19.456 9.196 6.456 1.00 8.96 H new ATOM 0 HE2 TYR A 68 22.384 10.386 3.597 1.00 8.94 H new ATOM 0 HH TYR A 68 21.798 8.341 3.894 1.00 10.22 H new ATOM 1025 N GLY A 69 22.878 15.824 7.185 1.00 6.15 N ATOM 1026 CA GLY A 69 24.194 16.330 6.841 1.00 6.07 C ATOM 1027 C GLY A 69 25.218 16.087 7.928 1.00 5.90 C ATOM 1028 O GLY A 69 25.940 16.999 8.333 1.00 5.61 O ATOM 0 H GLY A 69 22.237 16.525 7.558 1.00 6.15 H new ATOM 0 HA2 GLY A 69 24.531 15.857 5.919 1.00 6.07 H new ATOM 0 HA3 GLY A 69 24.127 17.400 6.644 1.00 6.07 H new ATOM 1032 N GLN A 70 25.278 14.853 8.393 1.00 6.45 N ATOM 1033 CA GLN A 70 26.198 14.476 9.450 1.00 6.69 C ATOM 1034 C GLN A 70 27.551 14.088 8.877 1.00 6.71 C ATOM 1035 O GLN A 70 28.582 14.613 9.295 1.00 7.25 O ATOM 1036 CB GLN A 70 25.634 13.302 10.248 1.00 7.70 C ATOM 1037 CG GLN A 70 24.314 13.599 10.932 1.00 8.32 C ATOM 1038 CD GLN A 70 23.765 12.401 11.678 1.00 9.06 C ATOM 1039 OE1 GLN A 70 23.989 11.251 11.296 1.00 9.52 O ATOM 1040 NE2 GLN A 70 23.049 12.665 12.757 1.00 9.42 N ATOM 0 H GLN A 70 24.695 14.089 8.052 1.00 6.45 H new ATOM 0 HA GLN A 70 26.325 15.337 10.107 1.00 6.69 H new ATOM 0 HB2 GLN A 70 25.502 12.452 9.579 1.00 7.70 H new ATOM 0 HB3 GLN A 70 26.363 13.004 11.002 1.00 7.70 H new ATOM 0 HG2 GLN A 70 24.448 14.427 11.629 1.00 8.32 H new ATOM 0 HG3 GLN A 70 23.587 13.923 10.187 1.00 8.32 H new ATOM 0 HE21 GLN A 70 22.888 13.632 13.038 1.00 9.42 H new ATOM 0 HE22 GLN A 70 22.658 11.902 13.309 1.00 9.42 H new ATOM 1049 N LYS A 71 27.528 13.179 7.900 1.00 6.35 N ATOM 1050 CA LYS A 71 28.748 12.574 7.360 1.00 6.54 C ATOM 1051 C LYS A 71 29.680 12.116 8.481 1.00 6.34 C ATOM 1052 O LYS A 71 30.714 12.729 8.735 1.00 6.36 O ATOM 1053 CB LYS A 71 29.475 13.538 6.421 1.00 6.82 C ATOM 1054 CG LYS A 71 28.994 13.476 4.980 1.00 6.50 C ATOM 1055 CD LYS A 71 27.532 13.870 4.830 1.00 6.36 C ATOM 1056 CE LYS A 71 27.125 13.889 3.366 1.00 6.74 C ATOM 1057 NZ LYS A 71 25.807 14.548 3.159 1.00 6.51 N ATOM 0 H LYS A 71 26.670 12.843 7.463 1.00 6.35 H new ATOM 0 HA LYS A 71 28.450 11.698 6.784 1.00 6.54 H new ATOM 0 HB2 LYS A 71 29.349 14.555 6.792 1.00 6.82 H new ATOM 0 HB3 LYS A 71 30.542 13.319 6.447 1.00 6.82 H new ATOM 0 HG2 LYS A 71 29.608 14.136 4.368 1.00 6.50 H new ATOM 0 HG3 LYS A 71 29.134 12.465 4.598 1.00 6.50 H new ATOM 0 HD2 LYS A 71 26.904 13.168 5.378 1.00 6.36 H new ATOM 0 HD3 LYS A 71 27.369 14.854 5.270 1.00 6.36 H new ATOM 0 HE2 LYS A 71 27.886 14.411 2.786 1.00 6.74 H new ATOM 0 HE3 LYS A 71 27.082 12.867 2.989 1.00 6.74 H new ATOM 0 HZ1 LYS A 71 25.569 14.538 2.147 1.00 6.51 H new ATOM 0 HZ2 LYS A 71 25.075 14.036 3.691 1.00 6.51 H new ATOM 0 HZ3 LYS A 71 25.854 15.531 3.494 1.00 6.51 H new ATOM 1071 N PRO A 72 29.311 11.027 9.173 1.00 6.47 N ATOM 1072 CA PRO A 72 30.060 10.503 10.314 1.00 6.58 C ATOM 1073 C PRO A 72 31.222 9.607 9.882 1.00 6.47 C ATOM 1074 O PRO A 72 31.536 8.614 10.543 1.00 6.74 O ATOM 1075 CB PRO A 72 29.009 9.685 11.087 1.00 7.14 C ATOM 1076 CG PRO A 72 27.749 9.736 10.276 1.00 7.24 C ATOM 1077 CD PRO A 72 28.131 10.209 8.907 1.00 6.89 C ATOM 0 HA PRO A 72 30.517 11.299 10.902 1.00 6.58 H new ATOM 0 HB2 PRO A 72 29.342 8.656 11.223 1.00 7.14 H new ATOM 0 HB3 PRO A 72 28.848 10.102 12.081 1.00 7.14 H new ATOM 0 HG2 PRO A 72 27.281 8.753 10.228 1.00 7.24 H new ATOM 0 HG3 PRO A 72 27.025 10.412 10.730 1.00 7.24 H new ATOM 0 HD2 PRO A 72 28.356 9.378 8.239 1.00 6.89 H new ATOM 0 HD3 PRO A 72 27.333 10.787 8.440 1.00 6.89 H new ATOM 1085 N GLU A 73 31.866 9.977 8.786 1.00 6.33 N ATOM 1086 CA GLU A 73 32.976 9.208 8.252 1.00 6.45 C ATOM 1087 C GLU A 73 34.305 9.743 8.762 1.00 6.01 C ATOM 1088 O GLU A 73 34.520 10.953 8.830 1.00 5.68 O ATOM 1089 CB GLU A 73 32.974 9.227 6.717 1.00 6.92 C ATOM 1090 CG GLU A 73 32.823 10.619 6.125 1.00 7.38 C ATOM 1091 CD GLU A 73 33.103 10.656 4.636 1.00 7.92 C ATOM 1092 OE1 GLU A 73 32.457 9.899 3.885 1.00 8.11 O ATOM 1093 OE2 GLU A 73 33.953 11.458 4.201 1.00 8.39 O ATOM 0 H GLU A 73 31.636 10.812 8.247 1.00 6.33 H new ATOM 0 HA GLU A 73 32.852 8.180 8.593 1.00 6.45 H new ATOM 0 HB2 GLU A 73 33.903 8.787 6.355 1.00 6.92 H new ATOM 0 HB3 GLU A 73 32.161 8.597 6.355 1.00 6.92 H new ATOM 0 HG2 GLU A 73 31.811 10.980 6.309 1.00 7.38 H new ATOM 0 HG3 GLU A 73 33.502 11.302 6.635 1.00 7.38 H new ATOM 1100 N GLN A 74 35.189 8.834 9.131 1.00 6.31 N ATOM 1101 CA GLN A 74 36.555 9.193 9.451 1.00 6.22 C ATOM 1102 C GLN A 74 37.500 8.423 8.537 1.00 6.34 C ATOM 1103 O GLN A 74 38.023 7.373 8.914 1.00 6.32 O ATOM 1104 CB GLN A 74 36.878 8.901 10.919 1.00 6.38 C ATOM 1105 CG GLN A 74 38.269 9.359 11.330 1.00 6.83 C ATOM 1106 CD GLN A 74 38.427 10.867 11.292 1.00 7.20 C ATOM 1107 OE1 GLN A 74 37.480 11.607 11.552 1.00 7.16 O ATOM 1108 NE2 GLN A 74 39.625 11.331 10.967 1.00 7.82 N ATOM 0 H GLN A 74 34.983 7.839 9.216 1.00 6.31 H new ATOM 0 HA GLN A 74 36.682 10.264 9.295 1.00 6.22 H new ATOM 0 HB2 GLN A 74 36.139 9.393 11.552 1.00 6.38 H new ATOM 0 HB3 GLN A 74 36.788 7.830 11.098 1.00 6.38 H new ATOM 0 HG2 GLN A 74 38.481 9.001 12.338 1.00 6.83 H new ATOM 0 HG3 GLN A 74 39.006 8.904 10.668 1.00 6.83 H new ATOM 0 HE21 GLN A 74 40.384 10.682 10.759 1.00 7.82 H new ATOM 0 HE22 GLN A 74 39.788 12.337 10.925 1.00 7.82 H new ATOM 1117 N PRO A 75 37.687 8.908 7.299 1.00 6.73 N ATOM 1118 CA PRO A 75 38.548 8.254 6.309 1.00 7.11 C ATOM 1119 C PRO A 75 40.023 8.406 6.655 1.00 7.12 C ATOM 1120 O PRO A 75 40.815 7.478 6.483 1.00 7.46 O ATOM 1121 CB PRO A 75 38.222 8.980 4.995 1.00 7.79 C ATOM 1122 CG PRO A 75 37.019 9.821 5.283 1.00 7.64 C ATOM 1123 CD PRO A 75 37.067 10.124 6.750 1.00 7.09 C ATOM 0 HA PRO A 75 38.370 7.180 6.259 1.00 7.11 H new ATOM 0 HB2 PRO A 75 39.061 9.595 4.670 1.00 7.79 H new ATOM 0 HB3 PRO A 75 38.019 8.268 4.195 1.00 7.79 H new ATOM 0 HG2 PRO A 75 37.035 10.738 4.695 1.00 7.64 H new ATOM 0 HG3 PRO A 75 36.102 9.292 5.024 1.00 7.64 H new ATOM 0 HD2 PRO A 75 37.659 11.014 6.963 1.00 7.09 H new ATOM 0 HD3 PRO A 75 36.073 10.296 7.163 1.00 7.09 H new ATOM 1131 N SER A 76 40.380 9.572 7.171 1.00 7.00 N ATOM 1132 CA SER A 76 41.754 9.863 7.515 1.00 7.24 C ATOM 1133 C SER A 76 42.124 9.261 8.871 1.00 7.24 C ATOM 1134 O SER A 76 41.786 9.795 9.929 1.00 7.02 O ATOM 1135 CB SER A 76 41.978 11.373 7.500 1.00 7.66 C ATOM 1136 OG SER A 76 40.859 12.059 8.041 1.00 7.89 O ATOM 0 H SER A 76 39.729 10.334 7.360 1.00 7.00 H new ATOM 0 HA SER A 76 42.407 9.405 6.772 1.00 7.24 H new ATOM 0 HB2 SER A 76 42.871 11.617 8.075 1.00 7.66 H new ATOM 0 HB3 SER A 76 42.155 11.708 6.478 1.00 7.66 H new ATOM 0 HG SER A 76 41.027 13.024 8.022 1.00 7.89 H new ATOM 1142 N GLY A 77 42.807 8.131 8.820 1.00 7.81 N ATOM 1143 CA GLY A 77 43.264 7.465 10.024 1.00 8.19 C ATOM 1144 C GLY A 77 44.514 6.657 9.750 1.00 8.67 C ATOM 1145 O GLY A 77 45.613 7.211 9.698 1.00 9.39 O ATOM 0 H GLY A 77 43.057 7.655 7.953 1.00 7.81 H new ATOM 0 HA2 GLY A 77 43.466 8.204 10.799 1.00 8.19 H new ATOM 0 HA3 GLY A 77 42.479 6.811 10.404 1.00 8.19 H new ATOM 1149 N ALA A 78 44.347 5.356 9.557 1.00 8.46 N ATOM 1150 CA ALA A 78 45.442 4.518 9.096 1.00 9.08 C ATOM 1151 C ALA A 78 45.613 4.722 7.601 1.00 9.03 C ATOM 1152 O ALA A 78 46.720 4.641 7.072 1.00 8.98 O ATOM 1153 CB ALA A 78 45.185 3.051 9.422 1.00 9.36 C ATOM 0 H ALA A 78 43.469 4.861 9.712 1.00 8.46 H new ATOM 0 HA ALA A 78 46.360 4.803 9.610 1.00 9.08 H new ATOM 0 HB1 ALA A 78 46.020 2.447 9.066 1.00 9.36 H new ATOM 0 HB2 ALA A 78 45.084 2.930 10.501 1.00 9.36 H new ATOM 0 HB3 ALA A 78 44.267 2.725 8.933 1.00 9.36 H new ATOM 1159 N SER A 79 44.484 4.988 6.936 1.00 9.25 N ATOM 1160 CA SER A 79 44.461 5.388 5.528 1.00 9.45 C ATOM 1161 C SER A 79 45.097 4.331 4.626 1.00 9.58 C ATOM 1162 O SER A 79 45.586 4.635 3.538 1.00 9.90 O ATOM 1163 CB SER A 79 45.173 6.737 5.365 1.00 9.59 C ATOM 1164 OG SER A 79 44.676 7.682 6.303 1.00 9.83 O ATOM 0 H SER A 79 43.559 4.931 7.362 1.00 9.25 H new ATOM 0 HA SER A 79 43.420 5.487 5.220 1.00 9.45 H new ATOM 0 HB2 SER A 79 46.246 6.607 5.505 1.00 9.59 H new ATOM 0 HB3 SER A 79 45.027 7.111 4.352 1.00 9.59 H new ATOM 0 HG SER A 79 45.143 8.536 6.186 1.00 9.83 H new ATOM 1170 N ALA A 80 45.062 3.083 5.065 1.00 9.56 N ATOM 1171 CA ALA A 80 45.630 1.999 4.290 1.00 9.88 C ATOM 1172 C ALA A 80 44.526 1.067 3.825 1.00 9.90 C ATOM 1173 O ALA A 80 43.376 1.204 4.247 1.00 10.21 O ATOM 1174 CB ALA A 80 46.665 1.240 5.108 1.00 10.43 C ATOM 0 H ALA A 80 44.647 2.799 5.952 1.00 9.56 H new ATOM 0 HA ALA A 80 46.131 2.415 3.416 1.00 9.88 H new ATOM 0 HB1 ALA A 80 47.080 0.430 4.508 1.00 10.43 H new ATOM 0 HB2 ALA A 80 47.465 1.919 5.403 1.00 10.43 H new ATOM 0 HB3 ALA A 80 46.193 0.827 5.999 1.00 10.43 H new ATOM 1180 N GLY A 81 44.876 0.123 2.966 1.00 9.80 N ATOM 1181 CA GLY A 81 43.899 -0.818 2.458 1.00 10.04 C ATOM 1182 C GLY A 81 43.487 -1.835 3.501 1.00 10.12 C ATOM 1183 O GLY A 81 42.439 -2.463 3.377 1.00 10.38 O ATOM 0 H GLY A 81 45.823 -0.009 2.610 1.00 9.80 H new ATOM 0 HA2 GLY A 81 43.018 -0.275 2.115 1.00 10.04 H new ATOM 0 HA3 GLY A 81 44.312 -1.335 1.592 1.00 10.04 H new ATOM 1187 N HIS A 82 44.315 -1.970 4.541 1.00 10.09 N ATOM 1188 CA HIS A 82 44.114 -2.972 5.584 1.00 10.32 C ATOM 1189 C HIS A 82 44.031 -4.361 4.961 1.00 10.96 C ATOM 1190 O HIS A 82 42.946 -4.895 4.740 1.00 11.19 O ATOM 1191 CB HIS A 82 42.854 -2.688 6.410 1.00 10.38 C ATOM 1192 CG HIS A 82 42.924 -1.449 7.249 1.00 10.29 C ATOM 1193 ND1 HIS A 82 42.318 -0.268 6.890 1.00 10.66 N ATOM 1194 CD2 HIS A 82 43.484 -1.227 8.461 1.00 10.14 C ATOM 1195 CE1 HIS A 82 42.509 0.629 7.836 1.00 10.73 C ATOM 1196 NE2 HIS A 82 43.212 0.074 8.807 1.00 10.43 N ATOM 0 H HIS A 82 45.141 -1.388 4.681 1.00 10.09 H new ATOM 0 HA HIS A 82 44.968 -2.926 6.260 1.00 10.32 H new ATOM 0 HB2 HIS A 82 42.003 -2.605 5.734 1.00 10.38 H new ATOM 0 HB3 HIS A 82 42.662 -3.541 7.061 1.00 10.38 H new ATOM 0 HD2 HIS A 82 44.042 -1.941 9.048 1.00 10.14 H new ATOM 0 HE1 HIS A 82 42.151 1.648 7.820 1.00 10.73 H new ATOM 0 HE2 HIS A 82 43.504 0.534 9.669 1.00 10.43 H new ATOM 1205 N ARG A 83 45.188 -4.922 4.644 1.00 11.41 N ATOM 1206 CA ARG A 83 45.252 -6.218 3.988 1.00 12.20 C ATOM 1207 C ARG A 83 45.371 -7.328 5.025 1.00 12.66 C ATOM 1208 O ARG A 83 45.087 -7.118 6.205 1.00 12.79 O ATOM 1209 CB ARG A 83 46.436 -6.258 3.018 1.00 12.48 C ATOM 1210 CG ARG A 83 46.402 -5.164 1.963 1.00 12.24 C ATOM 1211 CD ARG A 83 47.328 -4.009 2.324 1.00 12.18 C ATOM 1212 NE ARG A 83 48.725 -4.439 2.367 1.00 12.92 N ATOM 1213 CZ ARG A 83 49.751 -3.655 2.695 1.00 13.33 C ATOM 1214 NH1 ARG A 83 49.550 -2.371 2.991 1.00 13.12 N ATOM 1215 NH2 ARG A 83 50.981 -4.152 2.699 1.00 14.12 N ATOM 0 H ARG A 83 46.097 -4.499 4.831 1.00 11.41 H new ATOM 0 HA ARG A 83 44.334 -6.373 3.421 1.00 12.20 H new ATOM 0 HB2 ARG A 83 47.362 -6.173 3.586 1.00 12.48 H new ATOM 0 HB3 ARG A 83 46.454 -7.228 2.522 1.00 12.48 H new ATOM 0 HG2 ARG A 83 46.695 -5.578 0.998 1.00 12.24 H new ATOM 0 HG3 ARG A 83 45.383 -4.794 1.854 1.00 12.24 H new ATOM 0 HD2 ARG A 83 47.215 -3.208 1.594 1.00 12.18 H new ATOM 0 HD3 ARG A 83 47.042 -3.600 3.293 1.00 12.18 H new ATOM 0 HE ARG A 83 48.929 -5.410 2.129 1.00 12.92 H new ATOM 0 HH11 ARG A 83 48.607 -1.984 2.967 1.00 13.12 H new ATOM 0 HH12 ARG A 83 50.340 -1.776 3.241 1.00 13.12 H new ATOM 0 HH21 ARG A 83 51.137 -5.129 2.452 1.00 14.12 H new ATOM 0 HH22 ARG A 83 51.771 -3.557 2.949 1.00 14.12 H new ATOM 1229 N PHE A 84 45.817 -8.505 4.600 1.00 13.06 N ATOM 1230 CA PHE A 84 45.913 -9.640 5.506 1.00 13.61 C ATOM 1231 C PHE A 84 47.363 -10.109 5.779 1.00 14.10 C ATOM 1232 O PHE A 84 47.563 -11.280 6.102 1.00 14.50 O ATOM 1233 CB PHE A 84 45.090 -10.813 4.954 1.00 14.25 C ATOM 1234 CG PHE A 84 45.544 -11.310 3.602 1.00 14.22 C ATOM 1235 CD1 PHE A 84 45.169 -10.645 2.443 1.00 14.39 C ATOM 1236 CD2 PHE A 84 46.346 -12.436 3.491 1.00 14.17 C ATOM 1237 CE1 PHE A 84 45.579 -11.092 1.205 1.00 14.57 C ATOM 1238 CE2 PHE A 84 46.759 -12.889 2.253 1.00 14.34 C ATOM 1239 CZ PHE A 84 46.383 -12.234 1.119 1.00 14.57 C ATOM 0 H PHE A 84 46.115 -8.696 3.643 1.00 13.06 H new ATOM 0 HA PHE A 84 45.516 -9.299 6.462 1.00 13.61 H new ATOM 0 HB2 PHE A 84 45.134 -11.638 5.665 1.00 14.25 H new ATOM 0 HB3 PHE A 84 44.046 -10.508 4.884 1.00 14.25 H new ATOM 0 HD1 PHE A 84 44.547 -9.765 2.512 1.00 14.39 H new ATOM 0 HD2 PHE A 84 46.651 -12.964 4.382 1.00 14.17 H new ATOM 0 HE1 PHE A 84 45.282 -10.566 0.310 1.00 14.57 H new ATOM 0 HE2 PHE A 84 47.384 -13.767 2.184 1.00 14.34 H new ATOM 0 HZ PHE A 84 46.705 -12.596 0.154 1.00 14.57 H new ATOM 1249 N PRO A 85 48.403 -9.231 5.739 1.00 14.25 N ATOM 1250 CA PRO A 85 49.782 -9.662 5.938 1.00 14.89 C ATOM 1251 C PRO A 85 50.148 -9.649 7.417 1.00 14.90 C ATOM 1252 O PRO A 85 51.312 -9.791 7.795 1.00 15.47 O ATOM 1253 CB PRO A 85 50.595 -8.621 5.159 1.00 14.92 C ATOM 1254 CG PRO A 85 49.682 -7.456 4.925 1.00 14.53 C ATOM 1255 CD PRO A 85 48.357 -7.779 5.562 1.00 14.02 C ATOM 0 HA PRO A 85 49.964 -10.682 5.599 1.00 14.89 H new ATOM 0 HB2 PRO A 85 51.476 -8.316 5.723 1.00 14.92 H new ATOM 0 HB3 PRO A 85 50.948 -9.033 4.214 1.00 14.92 H new ATOM 0 HG2 PRO A 85 50.103 -6.548 5.356 1.00 14.53 H new ATOM 0 HG3 PRO A 85 49.559 -7.275 3.857 1.00 14.53 H new ATOM 0 HD2 PRO A 85 48.234 -7.263 6.514 1.00 14.02 H new ATOM 0 HD3 PRO A 85 47.523 -7.479 4.927 1.00 14.02 H new ATOM 1263 N GLN A 86 49.125 -9.464 8.243 1.00 14.42 N ATOM 1264 CA GLN A 86 49.275 -9.461 9.691 1.00 14.58 C ATOM 1265 C GLN A 86 48.642 -10.718 10.273 1.00 14.98 C ATOM 1266 O GLN A 86 48.631 -10.923 11.486 1.00 15.51 O ATOM 1267 CB GLN A 86 48.584 -8.234 10.290 1.00 13.80 C ATOM 1268 CG GLN A 86 49.012 -6.917 9.661 1.00 13.24 C ATOM 1269 CD GLN A 86 48.218 -5.736 10.192 1.00 12.42 C ATOM 1270 OE1 GLN A 86 47.767 -5.741 11.337 1.00 12.34 O ATOM 1271 NE2 GLN A 86 48.035 -4.721 9.360 1.00 11.97 N ATOM 0 H GLN A 86 48.168 -9.312 7.926 1.00 14.42 H new ATOM 0 HA GLN A 86 50.337 -9.433 9.933 1.00 14.58 H new ATOM 0 HB2 GLN A 86 47.506 -8.346 10.177 1.00 13.80 H new ATOM 0 HB3 GLN A 86 48.791 -8.199 11.360 1.00 13.80 H new ATOM 0 HG2 GLN A 86 50.073 -6.754 9.853 1.00 13.24 H new ATOM 0 HG3 GLN A 86 48.889 -6.977 8.580 1.00 13.24 H new ATOM 0 HE21 GLN A 86 48.426 -4.756 8.419 1.00 11.97 H new ATOM 0 HE22 GLN A 86 47.503 -3.904 9.661 1.00 11.97 H new ATOM 1280 N GLY A 87 48.106 -11.552 9.389 1.00 14.85 N ATOM 1281 CA GLY A 87 47.337 -12.705 9.818 1.00 15.28 C ATOM 1282 C GLY A 87 45.859 -12.370 9.900 1.00 15.54 C ATOM 1283 O GLY A 87 45.003 -13.250 9.795 1.00 16.04 O ATOM 0 H GLY A 87 48.191 -11.449 8.378 1.00 14.85 H new ATOM 0 HA2 GLY A 87 47.489 -13.529 9.120 1.00 15.28 H new ATOM 0 HA3 GLY A 87 47.692 -13.042 10.792 1.00 15.28 H new ATOM 1287 N TYR A 88 45.584 -11.075 10.079 1.00 15.34 N ATOM 1288 CA TYR A 88 44.225 -10.544 10.171 1.00 15.74 C ATOM 1289 C TYR A 88 43.490 -11.157 11.357 1.00 16.38 C ATOM 1290 O TYR A 88 42.806 -12.170 11.227 1.00 16.65 O ATOM 1291 CB TYR A 88 43.450 -10.775 8.870 1.00 15.89 C ATOM 1292 CG TYR A 88 42.166 -9.976 8.772 1.00 16.18 C ATOM 1293 CD1 TYR A 88 42.187 -8.656 8.345 1.00 16.39 C ATOM 1294 CD2 TYR A 88 40.943 -10.538 9.123 1.00 16.39 C ATOM 1295 CE1 TYR A 88 41.021 -7.921 8.251 1.00 16.82 C ATOM 1296 CE2 TYR A 88 39.775 -9.808 9.032 1.00 16.82 C ATOM 1297 CZ TYR A 88 39.821 -8.496 8.605 1.00 17.05 C ATOM 1298 OH TYR A 88 38.661 -7.763 8.522 1.00 17.61 O ATOM 0 H TYR A 88 46.307 -10.360 10.165 1.00 15.34 H new ATOM 0 HA TYR A 88 44.294 -9.468 10.328 1.00 15.74 H new ATOM 0 HB2 TYR A 88 44.091 -10.520 8.026 1.00 15.89 H new ATOM 0 HB3 TYR A 88 43.214 -11.836 8.782 1.00 15.89 H new ATOM 0 HD1 TYR A 88 43.128 -8.197 8.082 1.00 16.39 H new ATOM 0 HD2 TYR A 88 40.907 -11.560 9.472 1.00 16.39 H new ATOM 0 HE1 TYR A 88 41.051 -6.900 7.901 1.00 16.82 H new ATOM 0 HE2 TYR A 88 38.830 -10.261 9.293 1.00 16.82 H new ATOM 0 HH TYR A 88 37.904 -8.316 8.807 1.00 17.61 H new ATOM 1308 N HIS A 89 43.657 -10.541 12.518 1.00 16.74 N ATOM 1309 CA HIS A 89 43.061 -11.050 13.746 1.00 17.45 C ATOM 1310 C HIS A 89 41.935 -10.137 14.219 1.00 17.29 C ATOM 1311 O HIS A 89 41.484 -10.229 15.356 1.00 17.63 O ATOM 1312 CB HIS A 89 44.125 -11.181 14.844 1.00 18.42 C ATOM 1313 CG HIS A 89 45.228 -12.140 14.505 1.00 18.85 C ATOM 1314 ND1 HIS A 89 45.202 -13.468 14.864 1.00 19.52 N ATOM 1315 CD2 HIS A 89 46.389 -11.958 13.836 1.00 18.83 C ATOM 1316 CE1 HIS A 89 46.293 -14.065 14.425 1.00 19.89 C ATOM 1317 NE2 HIS A 89 47.032 -13.169 13.798 1.00 19.49 N ATOM 0 H HIS A 89 44.201 -9.686 12.636 1.00 16.74 H new ATOM 0 HA HIS A 89 42.645 -12.036 13.537 1.00 17.45 H new ATOM 0 HB2 HIS A 89 44.556 -10.199 15.038 1.00 18.42 H new ATOM 0 HB3 HIS A 89 43.644 -11.506 15.767 1.00 18.42 H new ATOM 0 HD2 HIS A 89 46.744 -11.031 13.411 1.00 18.83 H new ATOM 0 HE1 HIS A 89 46.539 -15.108 14.556 1.00 19.89 H new ATOM 0 HE2 HIS A 89 47.934 -13.348 13.357 1.00 19.49 H new ATOM 1326 N SER A 90 41.486 -9.257 13.340 1.00 16.89 N ATOM 1327 CA SER A 90 40.417 -8.334 13.671 1.00 16.87 C ATOM 1328 C SER A 90 39.086 -8.793 13.075 1.00 17.40 C ATOM 1329 O SER A 90 38.489 -8.105 12.241 1.00 17.57 O ATOM 1330 CB SER A 90 40.779 -6.934 13.178 1.00 16.22 C ATOM 1331 OG SER A 90 41.228 -6.978 11.834 1.00 16.09 O ATOM 0 H SER A 90 41.847 -9.163 12.391 1.00 16.89 H new ATOM 0 HA SER A 90 40.298 -8.311 14.754 1.00 16.87 H new ATOM 0 HB2 SER A 90 39.911 -6.280 13.256 1.00 16.22 H new ATOM 0 HB3 SER A 90 41.556 -6.509 13.813 1.00 16.22 H new ATOM 0 HG SER A 90 40.512 -7.325 11.261 1.00 16.09 H new ATOM 1337 N ASP A 91 38.629 -9.963 13.502 1.00 17.78 N ATOM 1338 CA ASP A 91 37.352 -10.490 13.046 1.00 18.42 C ATOM 1339 C ASP A 91 36.244 -9.999 13.965 1.00 18.69 C ATOM 1340 O ASP A 91 36.285 -10.184 15.182 1.00 19.21 O ATOM 1341 CB ASP A 91 37.364 -12.024 12.971 1.00 19.03 C ATOM 1342 CG ASP A 91 37.606 -12.693 14.310 1.00 19.61 C ATOM 1343 OD1 ASP A 91 38.695 -12.490 14.892 1.00 19.68 O ATOM 1344 OD2 ASP A 91 36.703 -13.396 14.803 1.00 20.11 O ATOM 0 H ASP A 91 39.123 -10.563 14.162 1.00 17.78 H new ATOM 0 HA ASP A 91 37.169 -10.125 12.035 1.00 18.42 H new ATOM 0 HB2 ASP A 91 36.411 -12.368 12.569 1.00 19.03 H new ATOM 0 HB3 ASP A 91 38.138 -12.340 12.271 1.00 19.03 H new ATOM 1349 N LYS A 92 35.262 -9.347 13.373 1.00 18.45 N ATOM 1350 CA LYS A 92 34.242 -8.652 14.135 1.00 18.78 C ATOM 1351 C LYS A 92 32.867 -9.231 13.847 1.00 19.35 C ATOM 1352 O LYS A 92 32.322 -9.053 12.755 1.00 19.92 O ATOM 1353 CB LYS A 92 34.279 -7.172 13.777 1.00 18.38 C ATOM 1354 CG LYS A 92 35.667 -6.566 13.901 1.00 18.13 C ATOM 1355 CD LYS A 92 35.841 -5.381 12.968 1.00 18.03 C ATOM 1356 CE LYS A 92 35.619 -5.786 11.517 1.00 17.98 C ATOM 1357 NZ LYS A 92 35.628 -4.611 10.605 1.00 17.78 N ATOM 0 H LYS A 92 35.149 -9.284 12.361 1.00 18.45 H new ATOM 0 HA LYS A 92 34.441 -8.777 15.199 1.00 18.78 H new ATOM 0 HB2 LYS A 92 33.922 -7.042 12.756 1.00 18.38 H new ATOM 0 HB3 LYS A 92 33.592 -6.629 14.427 1.00 18.38 H new ATOM 0 HG2 LYS A 92 35.836 -6.248 14.930 1.00 18.13 H new ATOM 0 HG3 LYS A 92 36.418 -7.323 13.674 1.00 18.13 H new ATOM 0 HD2 LYS A 92 35.138 -4.594 13.240 1.00 18.03 H new ATOM 0 HD3 LYS A 92 36.843 -4.968 13.084 1.00 18.03 H new ATOM 0 HE2 LYS A 92 36.396 -6.487 11.213 1.00 17.98 H new ATOM 0 HE3 LYS A 92 34.666 -6.308 11.428 1.00 17.98 H new ATOM 0 HZ1 LYS A 92 35.474 -4.929 9.627 1.00 17.78 H new ATOM 0 HZ2 LYS A 92 34.870 -3.953 10.879 1.00 17.78 H new ATOM 0 HZ3 LYS A 92 36.546 -4.128 10.671 1.00 17.78 H new ATOM 1371 N ARG A 93 32.310 -9.919 14.826 1.00 19.31 N ATOM 1372 CA ARG A 93 31.023 -10.573 14.659 1.00 19.91 C ATOM 1373 C ARG A 93 29.946 -9.856 15.460 1.00 20.36 C ATOM 1374 O ARG A 93 29.967 -9.864 16.689 1.00 20.53 O ATOM 1375 CB ARG A 93 31.106 -12.036 15.095 1.00 20.42 C ATOM 1376 CG ARG A 93 32.188 -12.839 14.380 1.00 20.25 C ATOM 1377 CD ARG A 93 32.034 -12.783 12.868 1.00 20.24 C ATOM 1378 NE ARG A 93 32.878 -13.776 12.197 1.00 20.81 N ATOM 1379 CZ ARG A 93 33.282 -13.688 10.930 1.00 21.12 C ATOM 1380 NH1 ARG A 93 32.903 -12.663 10.176 1.00 20.91 N ATOM 1381 NH2 ARG A 93 34.047 -14.640 10.412 1.00 21.73 N ATOM 0 H ARG A 93 32.729 -10.040 15.748 1.00 19.31 H new ATOM 0 HA ARG A 93 30.758 -10.532 13.602 1.00 19.91 H new ATOM 0 HB2 ARG A 93 31.290 -12.074 16.169 1.00 20.42 H new ATOM 0 HB3 ARG A 93 30.141 -12.511 14.920 1.00 20.42 H new ATOM 0 HG2 ARG A 93 33.169 -12.454 14.659 1.00 20.25 H new ATOM 0 HG3 ARG A 93 32.147 -13.877 14.710 1.00 20.25 H new ATOM 0 HD2 ARG A 93 30.991 -12.954 12.602 1.00 20.24 H new ATOM 0 HD3 ARG A 93 32.294 -11.786 12.513 1.00 20.24 H new ATOM 0 HE ARG A 93 33.176 -14.589 12.736 1.00 20.81 H new ATOM 0 HH11 ARG A 93 32.300 -11.939 10.566 1.00 20.91 H new ATOM 0 HH12 ARG A 93 33.215 -12.600 9.207 1.00 20.91 H new ATOM 0 HH21 ARG A 93 34.325 -15.438 10.983 1.00 21.73 H new ATOM 0 HH22 ARG A 93 34.357 -14.574 9.442 1.00 21.73 H new ATOM 1395 N ARG A 94 29.033 -9.202 14.751 1.00 20.65 N ATOM 1396 CA ARG A 94 27.875 -8.562 15.375 1.00 21.26 C ATOM 1397 C ARG A 94 26.837 -8.173 14.323 1.00 22.10 C ATOM 1398 O ARG A 94 25.705 -8.668 14.343 1.00 22.42 O ATOM 1399 CB ARG A 94 28.280 -7.337 16.214 1.00 21.34 C ATOM 1400 CG ARG A 94 29.286 -6.409 15.546 1.00 21.30 C ATOM 1401 CD ARG A 94 30.671 -6.535 16.162 1.00 21.28 C ATOM 1402 NE ARG A 94 30.718 -5.973 17.513 1.00 21.49 N ATOM 1403 CZ ARG A 94 31.722 -6.167 18.376 1.00 21.68 C ATOM 1404 NH1 ARG A 94 32.703 -7.010 18.085 1.00 21.65 N ATOM 1405 NH2 ARG A 94 31.743 -5.538 19.547 1.00 21.99 N ATOM 0 H ARG A 94 29.071 -9.099 13.737 1.00 20.65 H new ATOM 0 HA ARG A 94 27.429 -9.290 16.052 1.00 21.26 H new ATOM 0 HB2 ARG A 94 27.383 -6.766 16.453 1.00 21.34 H new ATOM 0 HB3 ARG A 94 28.699 -7.684 17.159 1.00 21.34 H new ATOM 0 HG2 ARG A 94 29.340 -6.638 14.482 1.00 21.30 H new ATOM 0 HG3 ARG A 94 28.942 -5.378 15.633 1.00 21.30 H new ATOM 0 HD2 ARG A 94 30.960 -7.585 16.195 1.00 21.28 H new ATOM 0 HD3 ARG A 94 31.398 -6.024 15.530 1.00 21.28 H new ATOM 0 HE ARG A 94 29.934 -5.396 17.816 1.00 21.49 H new ATOM 0 HH11 ARG A 94 32.695 -7.515 17.199 1.00 21.65 H new ATOM 0 HH12 ARG A 94 33.465 -7.153 18.747 1.00 21.65 H new ATOM 0 HH21 ARG A 94 30.988 -4.899 19.796 1.00 21.99 H new ATOM 0 HH22 ARG A 94 32.514 -5.694 20.196 1.00 21.99 H new ATOM 1419 N LEU A 95 27.234 -7.317 13.384 1.00 22.55 N ATOM 1420 CA LEU A 95 26.315 -6.802 12.371 1.00 23.45 C ATOM 1421 C LEU A 95 25.795 -7.917 11.461 1.00 24.13 C ATOM 1422 O LEU A 95 24.653 -7.872 11.013 1.00 24.69 O ATOM 1423 CB LEU A 95 26.993 -5.689 11.557 1.00 23.73 C ATOM 1424 CG LEU A 95 28.425 -5.973 11.076 1.00 23.32 C ATOM 1425 CD1 LEU A 95 28.420 -6.731 9.756 1.00 23.09 C ATOM 1426 CD2 LEU A 95 29.202 -4.675 10.940 1.00 23.46 C ATOM 0 H LEU A 95 28.188 -6.965 13.303 1.00 22.55 H new ATOM 0 HA LEU A 95 25.450 -6.379 12.882 1.00 23.45 H new ATOM 0 HB2 LEU A 95 26.375 -5.478 10.685 1.00 23.73 H new ATOM 0 HB3 LEU A 95 27.009 -4.783 12.163 1.00 23.73 H new ATOM 0 HG LEU A 95 28.915 -6.600 11.821 1.00 23.32 H new ATOM 0 HD11 LEU A 95 29.446 -6.918 9.440 1.00 23.09 H new ATOM 0 HD12 LEU A 95 27.901 -7.681 9.884 1.00 23.09 H new ATOM 0 HD13 LEU A 95 27.909 -6.138 8.998 1.00 23.09 H new ATOM 0 HD21 LEU A 95 30.214 -4.891 10.599 1.00 23.46 H new ATOM 0 HD22 LEU A 95 28.706 -4.028 10.217 1.00 23.46 H new ATOM 0 HD23 LEU A 95 29.244 -4.173 11.907 1.00 23.46 H new ATOM 1438 N SER A 96 26.645 -8.919 11.214 1.00 24.14 N ATOM 1439 CA SER A 96 26.283 -10.092 10.413 1.00 24.84 C ATOM 1440 C SER A 96 25.984 -9.727 8.948 1.00 25.65 C ATOM 1441 O SER A 96 26.828 -9.934 8.076 1.00 26.06 O ATOM 1442 CB SER A 96 25.083 -10.816 11.044 1.00 25.35 C ATOM 1443 OG SER A 96 25.312 -11.082 12.422 1.00 25.01 O ATOM 0 H SER A 96 27.603 -8.939 11.564 1.00 24.14 H new ATOM 0 HA SER A 96 27.143 -10.761 10.407 1.00 24.84 H new ATOM 0 HB2 SER A 96 24.187 -10.206 10.932 1.00 25.35 H new ATOM 0 HB3 SER A 96 24.900 -11.752 10.515 1.00 25.35 H new ATOM 0 HG SER A 96 25.308 -10.240 12.923 1.00 25.01 H new ATOM 1449 N LYS A 97 24.791 -9.177 8.701 1.00 25.95 N ATOM 1450 CA LYS A 97 24.317 -8.822 7.355 1.00 26.80 C ATOM 1451 C LYS A 97 24.102 -10.057 6.477 1.00 26.62 C ATOM 1452 O LYS A 97 22.967 -10.373 6.127 1.00 27.28 O ATOM 1453 CB LYS A 97 25.264 -7.834 6.658 1.00 27.31 C ATOM 1454 CG LYS A 97 25.356 -6.471 7.340 1.00 27.15 C ATOM 1455 CD LYS A 97 23.982 -5.851 7.576 1.00 27.42 C ATOM 1456 CE LYS A 97 23.199 -5.677 6.282 1.00 27.89 C ATOM 1457 NZ LYS A 97 23.807 -4.666 5.377 1.00 28.52 N ATOM 0 H LYS A 97 24.118 -8.962 9.437 1.00 25.95 H new ATOM 0 HA LYS A 97 23.352 -8.333 7.491 1.00 26.80 H new ATOM 0 HB2 LYS A 97 26.260 -8.273 6.612 1.00 27.31 H new ATOM 0 HB3 LYS A 97 24.931 -7.692 5.630 1.00 27.31 H new ATOM 0 HG2 LYS A 97 25.873 -6.578 8.294 1.00 27.15 H new ATOM 0 HG3 LYS A 97 25.955 -5.799 6.726 1.00 27.15 H new ATOM 0 HD2 LYS A 97 23.414 -6.481 8.260 1.00 27.42 H new ATOM 0 HD3 LYS A 97 24.101 -4.881 8.060 1.00 27.42 H new ATOM 0 HE2 LYS A 97 23.142 -6.635 5.765 1.00 27.89 H new ATOM 0 HE3 LYS A 97 22.177 -5.381 6.517 1.00 27.89 H new ATOM 0 HZ1 LYS A 97 23.236 -4.586 4.512 1.00 28.52 H new ATOM 0 HZ2 LYS A 97 23.838 -3.744 5.857 1.00 28.52 H new ATOM 0 HZ3 LYS A 97 24.773 -4.959 5.128 1.00 28.52 H new ATOM 1471 N ALA A 98 25.193 -10.744 6.140 1.00 25.81 N ATOM 1472 CA ALA A 98 25.156 -11.919 5.269 1.00 25.63 C ATOM 1473 C ALA A 98 24.605 -11.578 3.884 1.00 26.23 C ATOM 1474 O ALA A 98 23.413 -11.728 3.619 1.00 26.50 O ATOM 1475 CB ALA A 98 24.362 -13.057 5.908 1.00 25.39 C ATOM 0 H ALA A 98 26.129 -10.501 6.464 1.00 25.81 H new ATOM 0 HA ALA A 98 26.184 -12.257 5.139 1.00 25.63 H new ATOM 0 HB1 ALA A 98 24.353 -13.916 5.237 1.00 25.39 H new ATOM 0 HB2 ALA A 98 24.827 -13.340 6.852 1.00 25.39 H new ATOM 0 HB3 ALA A 98 23.339 -12.729 6.091 1.00 25.39 H new ATOM 1481 N SER A 99 25.484 -11.105 3.009 1.00 26.50 N ATOM 1482 CA SER A 99 25.093 -10.727 1.659 1.00 27.15 C ATOM 1483 C SER A 99 26.141 -11.190 0.648 1.00 27.64 C ATOM 1484 O SER A 99 27.309 -10.806 0.730 1.00 28.00 O ATOM 1485 CB SER A 99 24.921 -9.210 1.564 1.00 27.13 C ATOM 1486 OG SER A 99 24.027 -8.728 2.555 1.00 26.99 O ATOM 0 H SER A 99 26.475 -10.974 3.212 1.00 26.50 H new ATOM 0 HA SER A 99 24.144 -11.211 1.429 1.00 27.15 H new ATOM 0 HB2 SER A 99 25.890 -8.724 1.679 1.00 27.13 H new ATOM 0 HB3 SER A 99 24.547 -8.946 0.575 1.00 27.13 H new ATOM 0 HG SER A 99 23.938 -7.756 2.470 1.00 26.99 H new ATOM 1492 N SER A 100 25.726 -12.033 -0.285 1.00 27.71 N ATOM 1493 CA SER A 100 26.626 -12.503 -1.328 1.00 28.26 C ATOM 1494 C SER A 100 25.917 -12.539 -2.678 1.00 28.98 C ATOM 1495 O SER A 100 26.016 -11.594 -3.467 1.00 29.38 O ATOM 1496 CB SER A 100 27.176 -13.888 -0.971 1.00 28.27 C ATOM 1497 OG SER A 100 27.982 -14.408 -2.016 1.00 28.11 O ATOM 0 H SER A 100 24.778 -12.404 -0.342 1.00 27.71 H new ATOM 0 HA SER A 100 27.461 -11.806 -1.402 1.00 28.26 H new ATOM 0 HB2 SER A 100 27.762 -13.823 -0.054 1.00 28.27 H new ATOM 0 HB3 SER A 100 26.349 -14.570 -0.773 1.00 28.27 H new ATOM 0 HG SER A 100 28.320 -15.291 -1.760 1.00 28.11 H new ATOM 1503 N LYS A 101 25.189 -13.633 -2.928 1.00 29.21 N ATOM 1504 CA LYS A 101 24.444 -13.828 -4.174 1.00 29.94 C ATOM 1505 C LYS A 101 25.385 -13.855 -5.381 1.00 30.44 C ATOM 1506 O LYS A 101 24.966 -13.649 -6.522 1.00 31.19 O ATOM 1507 CB LYS A 101 23.384 -12.731 -4.339 1.00 30.31 C ATOM 1508 CG LYS A 101 22.488 -12.574 -3.116 1.00 30.08 C ATOM 1509 CD LYS A 101 21.730 -13.855 -2.809 1.00 30.22 C ATOM 1510 CE LYS A 101 21.074 -13.797 -1.438 1.00 30.12 C ATOM 1511 NZ LYS A 101 20.209 -12.598 -1.277 1.00 30.42 N ATOM 0 H LYS A 101 25.101 -14.408 -2.271 1.00 29.21 H new ATOM 0 HA LYS A 101 23.941 -14.794 -4.121 1.00 29.94 H new ATOM 0 HB2 LYS A 101 23.881 -11.782 -4.542 1.00 30.31 H new ATOM 0 HB3 LYS A 101 22.766 -12.959 -5.207 1.00 30.31 H new ATOM 0 HG2 LYS A 101 23.094 -12.294 -2.254 1.00 30.08 H new ATOM 0 HG3 LYS A 101 21.780 -11.763 -3.285 1.00 30.08 H new ATOM 0 HD2 LYS A 101 20.969 -14.021 -3.571 1.00 30.22 H new ATOM 0 HD3 LYS A 101 22.414 -14.703 -2.851 1.00 30.22 H new ATOM 0 HE2 LYS A 101 20.477 -14.696 -1.285 1.00 30.12 H new ATOM 0 HE3 LYS A 101 21.846 -13.792 -0.668 1.00 30.12 H new ATOM 0 HZ1 LYS A 101 19.642 -12.693 -0.410 1.00 30.42 H new ATOM 0 HZ2 LYS A 101 20.804 -11.747 -1.210 1.00 30.42 H new ATOM 0 HZ3 LYS A 101 19.576 -12.514 -2.098 1.00 30.42 H new ATOM 1525 N ALA A 102 26.655 -14.138 -5.119 1.00 30.08 N ATOM 1526 CA ALA A 102 27.666 -14.130 -6.164 1.00 30.58 C ATOM 1527 C ALA A 102 27.875 -15.522 -6.738 1.00 30.59 C ATOM 1528 O ALA A 102 28.164 -16.476 -6.012 1.00 30.68 O ATOM 1529 CB ALA A 102 28.982 -13.572 -5.637 1.00 30.57 C ATOM 0 H ALA A 102 27.007 -14.376 -4.192 1.00 30.08 H new ATOM 0 HA ALA A 102 27.309 -13.483 -6.965 1.00 30.58 H new ATOM 0 HB1 ALA A 102 29.724 -13.575 -6.435 1.00 30.57 H new ATOM 0 HB2 ALA A 102 28.830 -12.551 -5.287 1.00 30.57 H new ATOM 0 HB3 ALA A 102 29.335 -14.190 -4.811 1.00 30.57 H new ATOM 1535 N ARG A 103 27.703 -15.631 -8.046 1.00 30.57 N ATOM 1536 CA ARG A 103 27.978 -16.871 -8.759 1.00 30.65 C ATOM 1537 C ARG A 103 29.464 -16.964 -9.091 1.00 30.77 C ATOM 1538 O ARG A 103 30.159 -15.950 -9.134 1.00 30.46 O ATOM 1539 CB ARG A 103 27.167 -16.931 -10.054 1.00 31.34 C ATOM 1540 CG ARG A 103 25.676 -16.721 -9.860 1.00 31.28 C ATOM 1541 CD ARG A 103 24.960 -16.603 -11.193 1.00 31.10 C ATOM 1542 NE ARG A 103 25.574 -15.571 -12.032 1.00 31.07 N ATOM 1543 CZ ARG A 103 25.089 -15.170 -13.204 1.00 31.03 C ATOM 1544 NH1 ARG A 103 23.957 -15.679 -13.671 1.00 31.01 N ATOM 1545 NH2 ARG A 103 25.744 -14.254 -13.910 1.00 31.09 N ATOM 0 H ARG A 103 27.372 -14.871 -8.640 1.00 30.57 H new ATOM 0 HA ARG A 103 27.694 -17.707 -8.119 1.00 30.65 H new ATOM 0 HB2 ARG A 103 27.544 -16.174 -10.742 1.00 31.34 H new ATOM 0 HB3 ARG A 103 27.328 -17.900 -10.527 1.00 31.34 H new ATOM 0 HG2 ARG A 103 25.260 -17.554 -9.293 1.00 31.28 H new ATOM 0 HG3 ARG A 103 25.507 -15.819 -9.272 1.00 31.28 H new ATOM 0 HD2 ARG A 103 24.989 -17.562 -11.711 1.00 31.10 H new ATOM 0 HD3 ARG A 103 23.910 -16.363 -11.025 1.00 31.10 H new ATOM 0 HE ARG A 103 26.430 -15.131 -11.695 1.00 31.07 H new ATOM 0 HH11 ARG A 103 23.453 -16.382 -13.131 1.00 31.01 H new ATOM 0 HH12 ARG A 103 23.590 -15.367 -14.570 1.00 31.01 H new ATOM 0 HH21 ARG A 103 26.615 -13.861 -13.553 1.00 31.09 H new ATOM 0 HH22 ARG A 103 25.376 -13.944 -14.809 1.00 31.09 H new ATOM 1559 N SER A 104 29.945 -18.175 -9.340 1.00 31.30 N ATOM 1560 CA SER A 104 31.340 -18.381 -9.713 1.00 31.63 C ATOM 1561 C SER A 104 31.557 -18.057 -11.194 1.00 32.26 C ATOM 1562 O SER A 104 32.695 -17.981 -11.661 1.00 32.63 O ATOM 1563 CB SER A 104 31.747 -19.825 -9.414 1.00 31.49 C ATOM 1564 OG SER A 104 30.768 -20.728 -9.897 1.00 31.60 O ATOM 0 H SER A 104 29.391 -19.030 -9.291 1.00 31.30 H new ATOM 0 HA SER A 104 31.965 -17.708 -9.126 1.00 31.63 H new ATOM 0 HB2 SER A 104 32.709 -20.041 -9.878 1.00 31.49 H new ATOM 0 HB3 SER A 104 31.874 -19.958 -8.340 1.00 31.49 H new ATOM 0 HG SER A 104 30.758 -21.531 -9.335 1.00 31.60 H new ATOM 1570 N ASP A 105 30.443 -17.859 -11.909 1.00 32.44 N ATOM 1571 CA ASP A 105 30.454 -17.530 -13.340 1.00 33.10 C ATOM 1572 C ASP A 105 31.105 -18.636 -14.158 1.00 33.71 C ATOM 1573 O ASP A 105 31.223 -19.773 -13.696 1.00 33.79 O ATOM 1574 CB ASP A 105 31.179 -16.205 -13.590 1.00 32.92 C ATOM 1575 CG ASP A 105 30.667 -15.492 -14.826 1.00 33.34 C ATOM 1576 OD1 ASP A 105 29.652 -14.771 -14.724 1.00 33.43 O ATOM 1577 OD2 ASP A 105 31.284 -15.638 -15.901 1.00 33.66 O ATOM 0 H ASP A 105 29.506 -17.923 -11.511 1.00 32.44 H new ATOM 0 HA ASP A 105 29.416 -17.431 -13.658 1.00 33.10 H new ATOM 0 HB2 ASP A 105 31.056 -15.557 -12.722 1.00 32.92 H new ATOM 0 HB3 ASP A 105 32.247 -16.393 -13.698 1.00 32.92 H new ATOM 1582 N ASP A 106 31.513 -18.275 -15.368 1.00 34.21 N ATOM 1583 CA ASP A 106 32.068 -19.196 -16.351 1.00 34.91 C ATOM 1584 C ASP A 106 30.993 -20.125 -16.895 1.00 35.10 C ATOM 1585 O ASP A 106 30.100 -20.572 -16.178 1.00 35.16 O ATOM 1586 CB ASP A 106 33.241 -20.010 -15.801 1.00 35.27 C ATOM 1587 CG ASP A 106 33.969 -20.760 -16.901 1.00 35.62 C ATOM 1588 OD1 ASP A 106 34.641 -20.103 -17.721 1.00 35.68 O ATOM 1589 OD2 ASP A 106 33.862 -22.002 -16.964 1.00 35.89 O ATOM 0 H ASP A 106 31.466 -17.312 -15.700 1.00 34.21 H new ATOM 0 HA ASP A 106 32.454 -18.582 -17.165 1.00 34.91 H new ATOM 0 HB2 ASP A 106 33.938 -19.345 -15.291 1.00 35.27 H new ATOM 0 HB3 ASP A 106 32.875 -20.719 -15.058 1.00 35.27 H new ATOM 1594 N LEU A 107 31.089 -20.395 -18.179 1.00 35.27 N ATOM 1595 CA LEU A 107 30.119 -21.233 -18.875 1.00 35.52 C ATOM 1596 C LEU A 107 30.220 -22.706 -18.461 1.00 35.58 C ATOM 1597 O LEU A 107 29.334 -23.501 -18.767 1.00 35.79 O ATOM 1598 CB LEU A 107 30.205 -21.071 -20.419 1.00 36.22 C ATOM 1599 CG LEU A 107 31.584 -21.203 -21.121 1.00 36.57 C ATOM 1600 CD1 LEU A 107 32.534 -20.077 -20.734 1.00 36.81 C ATOM 1601 CD2 LEU A 107 32.230 -22.558 -20.860 1.00 36.78 C ATOM 0 H LEU A 107 31.838 -20.043 -18.775 1.00 35.27 H new ATOM 0 HA LEU A 107 29.135 -20.880 -18.567 1.00 35.52 H new ATOM 0 HB2 LEU A 107 29.539 -21.810 -20.864 1.00 36.22 H new ATOM 0 HB3 LEU A 107 29.803 -20.089 -20.668 1.00 36.22 H new ATOM 0 HG LEU A 107 31.389 -21.124 -22.191 1.00 36.57 H new ATOM 0 HD11 LEU A 107 33.485 -20.211 -21.249 1.00 36.81 H new ATOM 0 HD12 LEU A 107 32.098 -19.119 -21.019 1.00 36.81 H new ATOM 0 HD13 LEU A 107 32.699 -20.094 -19.657 1.00 36.81 H new ATOM 0 HD21 LEU A 107 33.192 -22.607 -21.370 1.00 36.78 H new ATOM 0 HD22 LEU A 107 32.380 -22.689 -19.788 1.00 36.78 H new ATOM 0 HD23 LEU A 107 31.581 -23.349 -21.235 1.00 36.78 H new ATOM 1613 N SER A 108 31.284 -23.071 -17.759 1.00 35.45 N ATOM 1614 CA SER A 108 31.422 -24.430 -17.263 1.00 35.56 C ATOM 1615 C SER A 108 31.387 -24.451 -15.738 1.00 34.99 C ATOM 1616 O SER A 108 32.404 -24.215 -15.077 1.00 35.21 O ATOM 1617 CB SER A 108 32.711 -25.081 -17.772 1.00 35.92 C ATOM 1618 OG SER A 108 32.717 -25.180 -19.190 1.00 36.22 O ATOM 0 H SER A 108 32.058 -22.450 -17.522 1.00 35.45 H new ATOM 0 HA SER A 108 30.579 -25.008 -17.642 1.00 35.56 H new ATOM 0 HB2 SER A 108 33.570 -24.496 -17.443 1.00 35.92 H new ATOM 0 HB3 SER A 108 32.815 -26.074 -17.336 1.00 35.92 H new ATOM 0 HG SER A 108 33.553 -25.598 -19.485 1.00 36.22 H new ATOM 1624 N VAL A 109 30.205 -24.703 -15.186 1.00 34.34 N ATOM 1625 CA VAL A 109 30.039 -24.838 -13.745 1.00 33.84 C ATOM 1626 C VAL A 109 28.739 -25.576 -13.426 1.00 33.57 C ATOM 1627 O VAL A 109 27.651 -25.008 -13.649 1.00 33.71 O ATOM 1628 CB VAL A 109 30.085 -23.466 -13.014 1.00 33.11 C ATOM 1629 CG1 VAL A 109 29.093 -22.472 -13.613 1.00 32.97 C ATOM 1630 CG2 VAL A 109 29.844 -23.646 -11.519 1.00 33.19 C ATOM 1631 OXT VAL A 109 28.815 -26.742 -12.984 1.00 33.28 O ATOM 0 H VAL A 109 29.343 -24.818 -15.719 1.00 34.34 H new ATOM 0 HA VAL A 109 30.881 -25.424 -13.375 1.00 33.84 H new ATOM 0 HB VAL A 109 31.083 -23.050 -13.155 1.00 33.11 H new ATOM 0 HG11 VAL A 109 29.156 -21.526 -13.075 1.00 32.97 H new ATOM 0 HG12 VAL A 109 29.332 -22.308 -14.664 1.00 32.97 H new ATOM 0 HG13 VAL A 109 28.082 -22.871 -13.529 1.00 32.97 H new ATOM 0 HG21 VAL A 109 29.880 -22.675 -11.025 1.00 33.19 H new ATOM 0 HG22 VAL A 109 28.865 -24.098 -11.360 1.00 33.19 H new ATOM 0 HG23 VAL A 109 30.615 -24.294 -11.102 1.00 33.19 H new TER 1641 VAL A 109