USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 730 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 90 GLN : amide:sc= 1.01 K(o=1.5,f=0.19) USER MOD Set 1.2: A 94 HIS : no HE2:sc= 0.521 K(o=1.5,f=-3.5) USER MOD Set 2.1: A 77 ASN : amide:sc= 0.462 K(o=1.5,f=-2.2!) USER MOD Set 2.2: A 81 LYS NZ :NH3+ -122:sc= 1.07 (180deg=0) USER MOD Set 3.1: A 74 SER OG : rot 73:sc= 0.98 USER MOD Set 3.2: A 85 GLN : amide:sc= -0.738 K(o=0.24,f=-3.9!) USER MOD Single : A 10 HIS :FLIP no HD1:sc= 0.0211 F(o=-1.7,f=0.021) USER MOD Single : A 11 GLN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 16 MET CE :methyl -166:sc= -0.0407 (180deg=-0.212) USER MOD Single : A 21 SER OG : rot 75:sc= 0.181 USER MOD Single : A 24 LYS NZ :NH3+ 171:sc=-0.00532 (180deg=-0.102) USER MOD Single : A 26 LYS NZ :NH3+ -134:sc= -0.741! (180deg=-2.26!) USER MOD Single : A 27 LYS NZ :NH3+ 137:sc= 0.639 (180deg=-0.00378) USER MOD Single : A 31 SER OG : rot 74:sc= 0.906 USER MOD Single : A 32 SER OG : rot -41:sc= 0.36 USER MOD Single : A 43 GLN : amide:sc= -0.0796 X(o=-0.08,f=-0.08) USER MOD Single : A 44 ASN : amide:sc=-0.00157 K(o=-0.0016,f=-1.3) USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.04) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0049) USER MOD Single : A 49 HIS : no HD1:sc= -1.68 X(o=-1.7,f=-1.7) USER MOD Single : A 50 LYS NZ :NH3+ 135:sc= 0.372 (180deg=-0.853) USER MOD Single : A 59 HIS :FLIP+bothHN:sc= -34.8! C(o=-41!,f=-35!) USER MOD Single : A 64 GLN : amide:sc= -0.072 K(o=-0.072,f=-0.63) USER MOD Single : A 69 THR OG1 : rot 75:sc= 1.13 USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 1.21 (180deg=1.18) USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= -0.0866 (180deg=-0.475) USER MOD Single : A 78 THR OG1 : rot 130:sc= -0.0099 USER MOD Single : A 86 GLN : amide:sc= -0.828 X(o=-0.83,f=-0.74) USER MOD Single : A 96 LYS NZ :NH3+ 173:sc= -0.804 (180deg=-0.943) USER MOD Single : A 99 LYS NZ :NH3+ 176:sc= -1.05! (180deg=-1.1!) USER MOD Single : A 100 GLN :FLIP amide:sc= -1.06 F(o=-1.8,f=-1.1) USER MOD Single : A 107 GLN : amide:sc= -0.56 K(o=-0.56,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 23.309 -8.416 -14.311 1.00 1.70 N ATOM 2 CA HIS A 10 23.074 -9.727 -14.913 1.00 1.73 C ATOM 3 C HIS A 10 23.997 -10.785 -14.320 1.00 1.58 C ATOM 4 O HIS A 10 23.540 -11.850 -13.901 1.00 1.52 O ATOM 5 CB HIS A 10 23.243 -9.668 -16.435 1.00 2.04 C ATOM 6 CG HIS A 10 24.415 -8.851 -16.885 1.00 2.54 C ATOM 7 ND1 HIS A 10 25.738 -9.154 -16.900 1.00 3.19 N flip ATOM 8 CD2 HIS A 10 24.312 -7.576 -17.395 1.00 3.29 C flip ATOM 9 CE1 HIS A 10 26.449 -8.073 -17.415 1.00 4.01 C flip ATOM 10 NE2 HIS A 10 25.546 -7.153 -17.698 1.00 4.11 N flip ATOM 0 HA HIS A 10 22.046 -10.010 -14.688 1.00 1.73 H new ATOM 0 HB2 HIS A 10 23.352 -10.683 -16.818 1.00 2.04 H new ATOM 0 HB3 HIS A 10 22.335 -9.256 -16.876 1.00 2.04 H new ATOM 0 HD2 HIS A 10 23.398 -7.016 -17.527 1.00 3.29 H new ATOM 0 HE1 HIS A 10 27.518 -8.002 -17.554 1.00 4.01 H new ATOM 0 HE2 HIS A 10 25.760 -6.239 -18.096 1.00 4.11 H new ATOM 18 N GLN A 11 25.294 -10.497 -14.282 1.00 1.60 N ATOM 19 CA GLN A 11 26.250 -11.445 -13.732 1.00 1.56 C ATOM 20 C GLN A 11 25.935 -11.713 -12.267 1.00 1.29 C ATOM 21 O GLN A 11 26.103 -12.828 -11.786 1.00 1.26 O ATOM 22 CB GLN A 11 27.691 -10.941 -13.894 1.00 1.75 C ATOM 23 CG GLN A 11 28.163 -10.011 -12.786 1.00 2.28 C ATOM 24 CD GLN A 11 29.673 -9.891 -12.731 1.00 3.08 C ATOM 25 OE1 GLN A 11 30.233 -8.828 -12.999 1.00 3.64 O ATOM 26 NE2 GLN A 11 30.339 -10.985 -12.383 1.00 3.73 N ATOM 0 H GLN A 11 25.701 -9.626 -14.621 1.00 1.60 H new ATOM 0 HA GLN A 11 26.164 -12.379 -14.288 1.00 1.56 H new ATOM 0 HB2 GLN A 11 28.360 -11.800 -13.939 1.00 1.75 H new ATOM 0 HB3 GLN A 11 27.775 -10.421 -14.848 1.00 1.75 H new ATOM 0 HG2 GLN A 11 27.729 -9.023 -12.936 1.00 2.28 H new ATOM 0 HG3 GLN A 11 27.796 -10.378 -11.827 1.00 2.28 H new ATOM 0 HE21 GLN A 11 29.832 -11.844 -12.169 1.00 3.73 H new ATOM 0 HE22 GLN A 11 31.357 -10.967 -12.329 1.00 3.73 H new ATOM 35 N PHE A 12 25.460 -10.683 -11.564 1.00 1.14 N ATOM 36 CA PHE A 12 25.122 -10.823 -10.157 1.00 0.98 C ATOM 37 C PHE A 12 24.202 -12.018 -9.954 1.00 0.94 C ATOM 38 O PHE A 12 24.469 -12.873 -9.116 1.00 0.91 O ATOM 39 CB PHE A 12 24.461 -9.548 -9.621 1.00 0.98 C ATOM 40 CG PHE A 12 23.922 -9.703 -8.225 1.00 0.86 C ATOM 41 CD1 PHE A 12 24.783 -9.833 -7.148 1.00 0.83 C ATOM 42 CD2 PHE A 12 22.556 -9.741 -7.994 1.00 0.86 C ATOM 43 CE1 PHE A 12 24.294 -9.994 -5.867 1.00 0.77 C ATOM 44 CE2 PHE A 12 22.062 -9.905 -6.713 1.00 0.82 C ATOM 45 CZ PHE A 12 22.932 -10.032 -5.649 1.00 0.76 C ATOM 0 H PHE A 12 25.303 -9.751 -11.948 1.00 1.14 H new ATOM 0 HA PHE A 12 26.045 -10.987 -9.600 1.00 0.98 H new ATOM 0 HB2 PHE A 12 25.188 -8.736 -9.635 1.00 0.98 H new ATOM 0 HB3 PHE A 12 23.648 -9.260 -10.288 1.00 0.98 H new ATOM 0 HD1 PHE A 12 25.850 -9.808 -7.312 1.00 0.83 H new ATOM 0 HD2 PHE A 12 21.871 -9.642 -8.823 1.00 0.86 H new ATOM 0 HE1 PHE A 12 24.977 -10.090 -5.036 1.00 0.77 H new ATOM 0 HE2 PHE A 12 20.996 -9.934 -6.545 1.00 0.82 H new ATOM 0 HZ PHE A 12 22.548 -10.161 -4.648 1.00 0.76 H new ATOM 55 N PHE A 13 23.127 -12.086 -10.737 1.00 1.03 N ATOM 56 CA PHE A 13 22.191 -13.200 -10.625 1.00 1.16 C ATOM 57 C PHE A 13 22.930 -14.530 -10.753 1.00 1.12 C ATOM 58 O PHE A 13 22.757 -15.429 -9.930 1.00 1.08 O ATOM 59 CB PHE A 13 21.085 -13.098 -11.681 1.00 1.42 C ATOM 60 CG PHE A 13 19.715 -12.940 -11.084 1.00 1.67 C ATOM 61 CD1 PHE A 13 19.089 -14.005 -10.454 1.00 2.16 C ATOM 62 CD2 PHE A 13 19.046 -11.728 -11.164 1.00 1.91 C ATOM 63 CE1 PHE A 13 17.823 -13.865 -9.919 1.00 2.70 C ATOM 64 CE2 PHE A 13 17.781 -11.583 -10.627 1.00 2.42 C ATOM 65 CZ PHE A 13 17.192 -12.644 -9.953 1.00 2.77 C ATOM 0 H PHE A 13 22.885 -11.393 -11.446 1.00 1.03 H new ATOM 0 HA PHE A 13 21.724 -13.152 -9.641 1.00 1.16 H new ATOM 0 HB2 PHE A 13 21.291 -12.250 -12.334 1.00 1.42 H new ATOM 0 HB3 PHE A 13 21.102 -13.992 -12.305 1.00 1.42 H new ATOM 0 HD1 PHE A 13 19.597 -14.955 -10.381 1.00 2.16 H new ATOM 0 HD2 PHE A 13 19.519 -10.888 -11.651 1.00 1.91 H new ATOM 0 HE1 PHE A 13 17.328 -14.716 -9.474 1.00 2.70 H new ATOM 0 HE2 PHE A 13 17.252 -10.647 -10.731 1.00 2.42 H new ATOM 0 HZ PHE A 13 16.242 -12.511 -9.457 1.00 2.77 H new ATOM 75 N ARG A 14 23.769 -14.643 -11.783 1.00 1.21 N ATOM 76 CA ARG A 14 24.546 -15.863 -12.005 1.00 1.30 C ATOM 77 C ARG A 14 25.396 -16.186 -10.780 1.00 1.14 C ATOM 78 O ARG A 14 25.345 -17.297 -10.254 1.00 1.12 O ATOM 79 CB ARG A 14 25.434 -15.723 -13.248 1.00 1.55 C ATOM 80 CG ARG A 14 25.367 -16.921 -14.186 1.00 1.71 C ATOM 81 CD ARG A 14 26.242 -18.067 -13.699 1.00 2.48 C ATOM 82 NE ARG A 14 25.611 -18.821 -12.617 1.00 2.80 N ATOM 83 CZ ARG A 14 26.239 -19.751 -11.902 1.00 3.53 C ATOM 84 NH1 ARG A 14 27.510 -20.035 -12.149 1.00 3.79 N ATOM 85 NH2 ARG A 14 25.595 -20.394 -10.936 1.00 4.35 N ATOM 0 H ARG A 14 23.928 -13.909 -12.473 1.00 1.21 H new ATOM 0 HA ARG A 14 23.849 -16.684 -12.171 1.00 1.30 H new ATOM 0 HB2 ARG A 14 25.139 -14.827 -13.795 1.00 1.55 H new ATOM 0 HB3 ARG A 14 26.467 -15.578 -12.931 1.00 1.55 H new ATOM 0 HG2 ARG A 14 24.335 -17.261 -14.269 1.00 1.71 H new ATOM 0 HG3 ARG A 14 25.684 -16.620 -15.184 1.00 1.71 H new ATOM 0 HD2 ARG A 14 26.456 -18.738 -14.531 1.00 2.48 H new ATOM 0 HD3 ARG A 14 27.198 -17.672 -13.355 1.00 2.48 H new ATOM 0 HE ARG A 14 24.635 -18.623 -12.398 1.00 2.80 H new ATOM 0 HH11 ARG A 14 28.009 -19.540 -12.888 1.00 3.79 H new ATOM 0 HH12 ARG A 14 27.989 -20.748 -11.600 1.00 3.79 H new ATOM 0 HH21 ARG A 14 24.618 -20.175 -10.741 1.00 4.35 H new ATOM 0 HH22 ARG A 14 26.077 -21.107 -10.388 1.00 4.35 H new ATOM 99 N ASP A 15 26.176 -15.207 -10.330 1.00 1.12 N ATOM 100 CA ASP A 15 27.028 -15.393 -9.161 1.00 1.14 C ATOM 101 C ASP A 15 26.189 -15.847 -7.971 1.00 1.00 C ATOM 102 O ASP A 15 26.552 -16.784 -7.262 1.00 1.05 O ATOM 103 CB ASP A 15 27.777 -14.098 -8.812 1.00 1.29 C ATOM 104 CG ASP A 15 28.258 -13.334 -10.037 1.00 1.49 C ATOM 105 OD1 ASP A 15 28.586 -13.981 -11.056 1.00 2.10 O ATOM 106 OD2 ASP A 15 28.317 -12.086 -9.974 1.00 1.84 O ATOM 0 H ASP A 15 26.235 -14.282 -10.755 1.00 1.12 H new ATOM 0 HA ASP A 15 27.766 -16.160 -9.396 1.00 1.14 H new ATOM 0 HB2 ASP A 15 27.122 -13.454 -8.225 1.00 1.29 H new ATOM 0 HB3 ASP A 15 28.634 -14.340 -8.183 1.00 1.29 H new ATOM 111 N MET A 16 25.053 -15.185 -7.767 1.00 0.93 N ATOM 112 CA MET A 16 24.151 -15.525 -6.675 1.00 0.98 C ATOM 113 C MET A 16 23.792 -17.006 -6.736 1.00 0.88 C ATOM 114 O MET A 16 23.953 -17.732 -5.759 1.00 0.88 O ATOM 115 CB MET A 16 22.880 -14.671 -6.744 1.00 1.15 C ATOM 116 CG MET A 16 22.506 -14.022 -5.421 1.00 1.45 C ATOM 117 SD MET A 16 21.150 -12.843 -5.584 1.00 1.92 S ATOM 118 CE MET A 16 20.285 -13.101 -4.036 1.00 2.23 C ATOM 0 H MET A 16 24.736 -14.408 -8.347 1.00 0.93 H new ATOM 0 HA MET A 16 24.655 -15.321 -5.730 1.00 0.98 H new ATOM 0 HB2 MET A 16 23.017 -13.892 -7.494 1.00 1.15 H new ATOM 0 HB3 MET A 16 22.052 -15.295 -7.079 1.00 1.15 H new ATOM 0 HG2 MET A 16 22.225 -14.797 -4.707 1.00 1.45 H new ATOM 0 HG3 MET A 16 23.378 -13.512 -5.011 1.00 1.45 H new ATOM 0 HE1 MET A 16 19.300 -12.637 -4.088 1.00 2.23 H new ATOM 0 HE2 MET A 16 20.174 -14.170 -3.855 1.00 2.23 H new ATOM 0 HE3 MET A 16 20.854 -12.653 -3.222 1.00 2.23 H new ATOM 128 N ASP A 17 23.319 -17.447 -7.902 1.00 0.91 N ATOM 129 CA ASP A 17 22.952 -18.844 -8.099 1.00 0.97 C ATOM 130 C ASP A 17 24.099 -19.762 -7.681 1.00 0.88 C ATOM 131 O ASP A 17 23.921 -20.641 -6.842 1.00 0.86 O ATOM 132 CB ASP A 17 22.573 -19.098 -9.563 1.00 1.19 C ATOM 133 CG ASP A 17 22.247 -20.556 -9.837 1.00 1.80 C ATOM 134 OD1 ASP A 17 23.187 -21.379 -9.870 1.00 2.46 O ATOM 135 OD2 ASP A 17 21.053 -20.874 -10.019 1.00 2.44 O ATOM 0 H ASP A 17 23.182 -16.856 -8.722 1.00 0.91 H new ATOM 0 HA ASP A 17 22.087 -19.064 -7.474 1.00 0.97 H new ATOM 0 HB2 ASP A 17 21.713 -18.482 -9.824 1.00 1.19 H new ATOM 0 HB3 ASP A 17 23.395 -18.786 -10.207 1.00 1.19 H new ATOM 140 N ASP A 18 25.282 -19.543 -8.256 1.00 0.95 N ATOM 141 CA ASP A 18 26.451 -20.352 -7.914 1.00 1.09 C ATOM 142 C ASP A 18 26.654 -20.351 -6.404 1.00 1.01 C ATOM 143 O ASP A 18 26.937 -21.384 -5.799 1.00 1.05 O ATOM 144 CB ASP A 18 27.704 -19.815 -8.617 1.00 1.33 C ATOM 145 CG ASP A 18 27.844 -18.308 -8.495 1.00 1.90 C ATOM 146 OD1 ASP A 18 27.618 -17.777 -7.387 1.00 2.48 O ATOM 147 OD2 ASP A 18 28.185 -17.661 -9.507 1.00 2.49 O ATOM 0 H ASP A 18 25.455 -18.820 -8.954 1.00 0.95 H new ATOM 0 HA ASP A 18 26.281 -21.374 -8.252 1.00 1.09 H new ATOM 0 HB2 ASP A 18 28.587 -20.293 -8.193 1.00 1.33 H new ATOM 0 HB3 ASP A 18 27.669 -20.088 -9.672 1.00 1.33 H new ATOM 152 N GLU A 19 26.484 -19.185 -5.801 1.00 1.02 N ATOM 153 CA GLU A 19 26.622 -19.046 -4.362 1.00 1.12 C ATOM 154 C GLU A 19 25.596 -19.926 -3.650 1.00 0.89 C ATOM 155 O GLU A 19 25.949 -20.845 -2.922 1.00 0.88 O ATOM 156 CB GLU A 19 26.447 -17.585 -3.973 1.00 1.38 C ATOM 157 CG GLU A 19 27.263 -17.203 -2.762 1.00 2.04 C ATOM 158 CD GLU A 19 28.739 -17.043 -3.071 1.00 2.53 C ATOM 159 OE1 GLU A 19 29.094 -16.103 -3.813 1.00 3.02 O ATOM 160 OE2 GLU A 19 29.542 -17.855 -2.566 1.00 3.07 O ATOM 0 H GLU A 19 26.250 -18.320 -6.288 1.00 1.02 H new ATOM 0 HA GLU A 19 27.617 -19.371 -4.058 1.00 1.12 H new ATOM 0 HB2 GLU A 19 26.734 -16.953 -4.813 1.00 1.38 H new ATOM 0 HB3 GLU A 19 25.393 -17.390 -3.772 1.00 1.38 H new ATOM 0 HG2 GLU A 19 26.880 -16.269 -2.352 1.00 2.04 H new ATOM 0 HG3 GLU A 19 27.139 -17.964 -1.992 1.00 2.04 H new ATOM 167 N GLU A 20 24.320 -19.671 -3.888 1.00 0.84 N ATOM 168 CA GLU A 20 23.270 -20.492 -3.290 1.00 0.84 C ATOM 169 C GLU A 20 23.597 -21.970 -3.506 1.00 0.73 C ATOM 170 O GLU A 20 23.354 -22.809 -2.639 1.00 0.78 O ATOM 171 CB GLU A 20 21.906 -20.149 -3.897 1.00 1.03 C ATOM 172 CG GLU A 20 21.439 -18.735 -3.586 1.00 1.61 C ATOM 173 CD GLU A 20 22.329 -18.032 -2.579 1.00 1.98 C ATOM 174 OE1 GLU A 20 23.522 -17.823 -2.883 1.00 2.49 O ATOM 175 OE2 GLU A 20 21.833 -17.686 -1.486 1.00 2.50 O ATOM 0 H GLU A 20 23.985 -18.913 -4.483 1.00 0.84 H new ATOM 0 HA GLU A 20 23.222 -20.288 -2.220 1.00 0.84 H new ATOM 0 HB2 GLU A 20 21.957 -20.276 -4.978 1.00 1.03 H new ATOM 0 HB3 GLU A 20 21.165 -20.857 -3.527 1.00 1.03 H new ATOM 0 HG2 GLU A 20 21.412 -18.155 -4.508 1.00 1.61 H new ATOM 0 HG3 GLU A 20 20.420 -18.770 -3.202 1.00 1.61 H new ATOM 182 N SER A 21 24.182 -22.275 -4.665 1.00 0.75 N ATOM 183 CA SER A 21 24.582 -23.637 -4.990 1.00 0.89 C ATOM 184 C SER A 21 25.660 -24.104 -4.011 1.00 0.84 C ATOM 185 O SER A 21 25.661 -25.258 -3.585 1.00 0.91 O ATOM 186 CB SER A 21 25.086 -23.714 -6.435 1.00 1.14 C ATOM 187 OG SER A 21 24.009 -23.646 -7.353 1.00 1.59 O ATOM 0 H SER A 21 24.388 -21.592 -5.394 1.00 0.75 H new ATOM 0 HA SER A 21 23.719 -24.296 -4.899 1.00 0.89 H new ATOM 0 HB2 SER A 21 25.782 -22.897 -6.625 1.00 1.14 H new ATOM 0 HB3 SER A 21 25.636 -24.643 -6.583 1.00 1.14 H new ATOM 0 HG SER A 21 23.684 -22.723 -7.408 1.00 1.59 H new ATOM 193 N TRP A 22 26.561 -23.186 -3.630 1.00 0.91 N ATOM 194 CA TRP A 22 27.631 -23.499 -2.677 1.00 1.05 C ATOM 195 C TRP A 22 27.069 -24.297 -1.499 1.00 0.87 C ATOM 196 O TRP A 22 27.664 -25.281 -1.065 1.00 0.92 O ATOM 197 CB TRP A 22 28.334 -22.211 -2.161 1.00 1.38 C ATOM 198 CG TRP A 22 28.335 -22.100 -0.659 1.00 1.53 C ATOM 199 CD1 TRP A 22 27.252 -21.985 0.156 1.00 2.19 C ATOM 200 CD2 TRP A 22 29.474 -22.106 0.200 1.00 1.39 C ATOM 201 NE1 TRP A 22 27.646 -21.984 1.466 1.00 2.16 N ATOM 202 CE2 TRP A 22 29.007 -22.052 1.518 1.00 1.65 C ATOM 203 CE3 TRP A 22 30.842 -22.168 -0.023 1.00 1.73 C ATOM 204 CZ2 TRP A 22 29.861 -22.071 2.610 1.00 1.79 C ATOM 205 CZ3 TRP A 22 31.695 -22.176 1.058 1.00 2.24 C ATOM 206 CH2 TRP A 22 31.199 -22.139 2.360 1.00 2.11 C ATOM 0 H TRP A 22 26.568 -22.224 -3.968 1.00 0.91 H new ATOM 0 HA TRP A 22 28.376 -24.099 -3.199 1.00 1.05 H new ATOM 0 HB2 TRP A 22 29.363 -22.197 -2.521 1.00 1.38 H new ATOM 0 HB3 TRP A 22 27.836 -21.338 -2.584 1.00 1.38 H new ATOM 0 HD1 TRP A 22 26.229 -21.906 -0.182 1.00 2.19 H new ATOM 0 HE1 TRP A 22 27.023 -21.940 2.273 1.00 2.16 H new ATOM 0 HE3 TRP A 22 31.232 -22.209 -1.029 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 29.481 -22.033 3.620 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 32.762 -22.211 0.895 1.00 2.24 H new ATOM 0 HH2 TRP A 22 31.890 -22.165 3.189 1.00 2.11 H new ATOM 217 N ILE A 23 25.921 -23.856 -0.979 1.00 0.80 N ATOM 218 CA ILE A 23 25.283 -24.524 0.149 1.00 0.90 C ATOM 219 C ILE A 23 25.011 -25.982 -0.181 1.00 0.87 C ATOM 220 O ILE A 23 25.370 -26.872 0.579 1.00 0.95 O ATOM 221 CB ILE A 23 23.958 -23.830 0.558 1.00 1.16 C ATOM 222 CG1 ILE A 23 24.228 -22.691 1.550 1.00 1.34 C ATOM 223 CG2 ILE A 23 22.979 -24.832 1.164 1.00 1.46 C ATOM 224 CD1 ILE A 23 24.005 -21.312 0.970 1.00 1.92 C ATOM 0 H ILE A 23 25.417 -23.039 -1.324 1.00 0.80 H new ATOM 0 HA ILE A 23 25.973 -24.462 0.991 1.00 0.90 H new ATOM 0 HB ILE A 23 23.509 -23.412 -0.343 1.00 1.16 H new ATOM 0 HG12 ILE A 23 23.583 -22.818 2.419 1.00 1.34 H new ATOM 0 HG13 ILE A 23 25.257 -22.765 1.903 1.00 1.34 H new ATOM 0 HG21 ILE A 23 22.058 -24.319 1.442 1.00 1.46 H new ATOM 0 HG22 ILE A 23 22.755 -25.609 0.433 1.00 1.46 H new ATOM 0 HG23 ILE A 23 23.424 -25.285 2.050 1.00 1.46 H new ATOM 0 HD11 ILE A 23 24.216 -20.559 1.730 1.00 1.92 H new ATOM 0 HD12 ILE A 23 24.669 -21.164 0.118 1.00 1.92 H new ATOM 0 HD13 ILE A 23 22.969 -21.218 0.643 1.00 1.92 H new ATOM 236 N LYS A 24 24.370 -26.220 -1.317 1.00 0.92 N ATOM 237 CA LYS A 24 24.049 -27.579 -1.736 1.00 1.18 C ATOM 238 C LYS A 24 25.298 -28.459 -1.744 1.00 1.21 C ATOM 239 O LYS A 24 25.283 -29.576 -1.227 1.00 1.38 O ATOM 240 CB LYS A 24 23.396 -27.569 -3.124 1.00 1.40 C ATOM 241 CG LYS A 24 22.264 -28.576 -3.280 1.00 2.00 C ATOM 242 CD LYS A 24 22.761 -30.011 -3.163 1.00 2.68 C ATOM 243 CE LYS A 24 21.619 -31.010 -3.276 1.00 3.24 C ATOM 244 NZ LYS A 24 20.971 -30.969 -4.616 1.00 3.58 N ATOM 0 H LYS A 24 24.063 -25.493 -1.963 1.00 0.92 H new ATOM 0 HA LYS A 24 23.343 -27.997 -1.018 1.00 1.18 H new ATOM 0 HB2 LYS A 24 23.011 -26.570 -3.326 1.00 1.40 H new ATOM 0 HB3 LYS A 24 24.159 -27.775 -3.875 1.00 1.40 H new ATOM 0 HG2 LYS A 24 21.506 -28.391 -2.519 1.00 2.00 H new ATOM 0 HG3 LYS A 24 21.784 -28.436 -4.249 1.00 2.00 H new ATOM 0 HD2 LYS A 24 23.495 -30.207 -3.944 1.00 2.68 H new ATOM 0 HD3 LYS A 24 23.269 -30.144 -2.208 1.00 2.68 H new ATOM 0 HE2 LYS A 24 21.997 -32.015 -3.087 1.00 3.24 H new ATOM 0 HE3 LYS A 24 20.876 -30.799 -2.507 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 20.305 -31.763 -4.704 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 20.457 -30.072 -4.726 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 21.698 -31.044 -5.356 1.00 3.58 H new ATOM 258 N GLU A 25 26.380 -27.947 -2.324 1.00 1.18 N ATOM 259 CA GLU A 25 27.634 -28.692 -2.388 1.00 1.40 C ATOM 260 C GLU A 25 28.161 -28.978 -0.986 1.00 1.37 C ATOM 261 O GLU A 25 28.574 -30.097 -0.678 1.00 1.59 O ATOM 262 CB GLU A 25 28.674 -27.909 -3.200 1.00 1.58 C ATOM 263 CG GLU A 25 30.100 -28.423 -3.043 1.00 2.34 C ATOM 264 CD GLU A 25 30.420 -29.566 -3.989 1.00 2.86 C ATOM 265 OE1 GLU A 25 29.760 -30.622 -3.888 1.00 3.26 O ATOM 266 OE2 GLU A 25 31.330 -29.407 -4.830 1.00 3.45 O ATOM 0 H GLU A 25 26.414 -27.023 -2.755 1.00 1.18 H new ATOM 0 HA GLU A 25 27.446 -29.644 -2.884 1.00 1.40 H new ATOM 0 HB2 GLU A 25 28.400 -27.946 -4.254 1.00 1.58 H new ATOM 0 HB3 GLU A 25 28.641 -26.862 -2.899 1.00 1.58 H new ATOM 0 HG2 GLU A 25 30.798 -27.605 -3.220 1.00 2.34 H new ATOM 0 HG3 GLU A 25 30.251 -28.754 -2.016 1.00 2.34 H new ATOM 273 N LYS A 26 28.144 -27.955 -0.142 1.00 1.19 N ATOM 274 CA LYS A 26 28.615 -28.079 1.231 1.00 1.29 C ATOM 275 C LYS A 26 27.779 -29.099 2.006 1.00 1.31 C ATOM 276 O LYS A 26 28.323 -29.984 2.666 1.00 1.49 O ATOM 277 CB LYS A 26 28.566 -26.716 1.923 1.00 1.34 C ATOM 278 CG LYS A 26 29.431 -26.624 3.174 1.00 1.63 C ATOM 279 CD LYS A 26 30.917 -26.624 2.839 1.00 2.01 C ATOM 280 CE LYS A 26 31.283 -25.498 1.881 1.00 2.27 C ATOM 281 NZ LYS A 26 31.335 -25.965 0.470 1.00 2.77 N ATOM 0 H LYS A 26 27.807 -27.024 -0.386 1.00 1.19 H new ATOM 0 HA LYS A 26 29.646 -28.433 1.212 1.00 1.29 H new ATOM 0 HB2 LYS A 26 28.885 -25.950 1.216 1.00 1.34 H new ATOM 0 HB3 LYS A 26 27.533 -26.493 2.191 1.00 1.34 H new ATOM 0 HG2 LYS A 26 29.182 -25.715 3.721 1.00 1.63 H new ATOM 0 HG3 LYS A 26 29.207 -27.463 3.832 1.00 1.63 H new ATOM 0 HD2 LYS A 26 31.496 -26.522 3.757 1.00 2.01 H new ATOM 0 HD3 LYS A 26 31.189 -27.581 2.395 1.00 2.01 H new ATOM 0 HE2 LYS A 26 30.553 -24.694 1.970 1.00 2.27 H new ATOM 0 HE3 LYS A 26 32.251 -25.083 2.162 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 32.197 -25.602 0.016 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 31.344 -27.005 0.449 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 30.500 -25.615 -0.042 1.00 2.77 H new ATOM 295 N LYS A 27 26.457 -28.973 1.917 1.00 1.25 N ATOM 296 CA LYS A 27 25.552 -29.884 2.610 1.00 1.48 C ATOM 297 C LYS A 27 25.773 -31.319 2.145 1.00 1.65 C ATOM 298 O LYS A 27 25.720 -32.254 2.944 1.00 1.84 O ATOM 299 CB LYS A 27 24.094 -29.467 2.382 1.00 1.61 C ATOM 300 CG LYS A 27 23.291 -29.320 3.670 1.00 2.10 C ATOM 301 CD LYS A 27 22.352 -28.123 3.618 1.00 2.50 C ATOM 302 CE LYS A 27 21.791 -27.792 4.995 1.00 3.05 C ATOM 303 NZ LYS A 27 20.840 -26.647 4.950 1.00 3.62 N ATOM 0 H LYS A 27 25.990 -28.249 1.372 1.00 1.25 H new ATOM 0 HA LYS A 27 25.765 -29.832 3.678 1.00 1.48 H new ATOM 0 HB2 LYS A 27 24.076 -28.520 1.843 1.00 1.61 H new ATOM 0 HB3 LYS A 27 23.609 -30.206 1.744 1.00 1.61 H new ATOM 0 HG2 LYS A 27 22.713 -30.228 3.844 1.00 2.10 H new ATOM 0 HG3 LYS A 27 23.973 -29.210 4.513 1.00 2.10 H new ATOM 0 HD2 LYS A 27 22.885 -27.258 3.224 1.00 2.50 H new ATOM 0 HD3 LYS A 27 21.532 -28.332 2.931 1.00 2.50 H new ATOM 0 HE2 LYS A 27 21.285 -28.668 5.400 1.00 3.05 H new ATOM 0 HE3 LYS A 27 22.611 -27.556 5.673 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 20.013 -26.859 5.543 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 21.311 -25.791 5.306 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 20.532 -26.490 3.969 1.00 3.62 H new ATOM 317 N LEU A 28 26.024 -31.489 0.848 1.00 1.65 N ATOM 318 CA LEU A 28 26.260 -32.813 0.285 1.00 1.92 C ATOM 319 C LEU A 28 27.461 -33.465 0.962 1.00 1.96 C ATOM 320 O LEU A 28 27.447 -34.658 1.260 1.00 2.16 O ATOM 321 CB LEU A 28 26.497 -32.715 -1.225 1.00 2.05 C ATOM 322 CG LEU A 28 26.452 -34.049 -1.980 1.00 2.51 C ATOM 323 CD1 LEU A 28 25.030 -34.592 -2.035 1.00 3.19 C ATOM 324 CD2 LEU A 28 27.020 -33.885 -3.383 1.00 2.78 C ATOM 0 H LEU A 28 26.069 -30.728 0.171 1.00 1.65 H new ATOM 0 HA LEU A 28 25.378 -33.429 0.461 1.00 1.92 H new ATOM 0 HB2 LEU A 28 25.748 -32.049 -1.652 1.00 2.05 H new ATOM 0 HB3 LEU A 28 27.469 -32.252 -1.395 1.00 2.05 H new ATOM 0 HG LEU A 28 27.068 -34.769 -1.441 1.00 2.51 H new ATOM 0 HD11 LEU A 28 25.023 -35.539 -2.575 1.00 3.19 H new ATOM 0 HD12 LEU A 28 24.661 -34.750 -1.021 1.00 3.19 H new ATOM 0 HD13 LEU A 28 24.387 -33.877 -2.548 1.00 3.19 H new ATOM 0 HD21 LEU A 28 26.981 -34.841 -3.905 1.00 2.78 H new ATOM 0 HD22 LEU A 28 26.432 -33.148 -3.930 1.00 2.78 H new ATOM 0 HD23 LEU A 28 28.055 -33.548 -3.320 1.00 2.78 H new ATOM 336 N LEU A 29 28.497 -32.664 1.205 1.00 1.84 N ATOM 337 CA LEU A 29 29.711 -33.149 1.851 1.00 2.00 C ATOM 338 C LEU A 29 29.411 -33.645 3.263 1.00 2.03 C ATOM 339 O LEU A 29 29.815 -34.741 3.647 1.00 2.24 O ATOM 340 CB LEU A 29 30.766 -32.040 1.899 1.00 2.00 C ATOM 341 CG LEU A 29 32.177 -32.499 2.288 1.00 2.43 C ATOM 342 CD1 LEU A 29 33.105 -32.458 1.083 1.00 3.02 C ATOM 343 CD2 LEU A 29 32.728 -31.640 3.419 1.00 3.08 C ATOM 0 H LEU A 29 28.518 -31.673 0.963 1.00 1.84 H new ATOM 0 HA LEU A 29 30.099 -33.983 1.266 1.00 2.00 H new ATOM 0 HB2 LEU A 29 30.813 -31.563 0.920 1.00 2.00 H new ATOM 0 HB3 LEU A 29 30.440 -31.280 2.609 1.00 2.00 H new ATOM 0 HG LEU A 29 32.117 -33.529 2.639 1.00 2.43 H new ATOM 0 HD11 LEU A 29 34.101 -32.787 1.379 1.00 3.02 H new ATOM 0 HD12 LEU A 29 32.721 -33.118 0.305 1.00 3.02 H new ATOM 0 HD13 LEU A 29 33.159 -31.439 0.700 1.00 3.02 H new ATOM 0 HD21 LEU A 29 33.730 -31.981 3.680 1.00 3.08 H new ATOM 0 HD22 LEU A 29 32.772 -30.599 3.097 1.00 3.08 H new ATOM 0 HD23 LEU A 29 32.077 -31.724 4.290 1.00 3.08 H new ATOM 355 N VAL A 30 28.698 -32.826 4.029 1.00 1.90 N ATOM 356 CA VAL A 30 28.341 -33.179 5.399 1.00 2.05 C ATOM 357 C VAL A 30 27.548 -34.481 5.440 1.00 2.27 C ATOM 358 O VAL A 30 27.714 -35.294 6.350 1.00 2.48 O ATOM 359 CB VAL A 30 27.514 -32.063 6.073 1.00 2.03 C ATOM 360 CG1 VAL A 30 27.395 -32.310 7.571 1.00 2.35 C ATOM 361 CG2 VAL A 30 28.125 -30.696 5.796 1.00 2.26 C ATOM 0 H VAL A 30 28.356 -31.914 3.725 1.00 1.90 H new ATOM 0 HA VAL A 30 29.275 -33.307 5.947 1.00 2.05 H new ATOM 0 HB VAL A 30 26.511 -32.078 5.646 1.00 2.03 H new ATOM 0 HG11 VAL A 30 26.808 -31.512 8.026 1.00 2.35 H new ATOM 0 HG12 VAL A 30 26.902 -33.267 7.744 1.00 2.35 H new ATOM 0 HG13 VAL A 30 28.389 -32.329 8.017 1.00 2.35 H new ATOM 0 HG21 VAL A 30 27.526 -29.925 6.280 1.00 2.26 H new ATOM 0 HG22 VAL A 30 29.142 -30.666 6.188 1.00 2.26 H new ATOM 0 HG23 VAL A 30 28.145 -30.518 4.721 1.00 2.26 H new ATOM 371 N SER A 31 26.678 -34.665 4.451 1.00 2.30 N ATOM 372 CA SER A 31 25.845 -35.861 4.371 1.00 2.61 C ATOM 373 C SER A 31 26.614 -37.046 3.789 1.00 2.74 C ATOM 374 O SER A 31 26.242 -38.200 4.006 1.00 3.01 O ATOM 375 CB SER A 31 24.601 -35.581 3.526 1.00 2.70 C ATOM 376 OG SER A 31 24.014 -34.341 3.882 1.00 2.71 O ATOM 0 H SER A 31 26.531 -33.999 3.692 1.00 2.30 H new ATOM 0 HA SER A 31 25.544 -36.123 5.385 1.00 2.61 H new ATOM 0 HB2 SER A 31 24.869 -35.570 2.470 1.00 2.70 H new ATOM 0 HB3 SER A 31 23.876 -36.383 3.663 1.00 2.70 H new ATOM 0 HG SER A 31 24.568 -33.607 3.543 1.00 2.71 H new ATOM 382 N SER A 32 27.681 -36.759 3.045 1.00 2.63 N ATOM 383 CA SER A 32 28.488 -37.811 2.432 1.00 2.85 C ATOM 384 C SER A 32 29.395 -38.474 3.459 1.00 2.93 C ATOM 385 O SER A 32 29.425 -39.701 3.576 1.00 3.19 O ATOM 386 CB SER A 32 29.334 -37.245 1.288 1.00 2.84 C ATOM 387 OG SER A 32 30.349 -36.384 1.777 1.00 3.16 O ATOM 0 H SER A 32 28.005 -35.811 2.853 1.00 2.63 H new ATOM 0 HA SER A 32 27.805 -38.561 2.034 1.00 2.85 H new ATOM 0 HB2 SER A 32 29.787 -38.063 0.728 1.00 2.84 H new ATOM 0 HB3 SER A 32 28.694 -36.700 0.594 1.00 2.84 H new ATOM 0 HG SER A 32 29.987 -35.829 2.499 1.00 3.16 H new ATOM 393 N GLU A 33 30.143 -37.653 4.193 1.00 2.79 N ATOM 394 CA GLU A 33 31.072 -38.148 5.205 1.00 2.95 C ATOM 395 C GLU A 33 32.064 -39.131 4.583 1.00 3.13 C ATOM 396 O GLU A 33 32.537 -40.055 5.241 1.00 3.53 O ATOM 397 CB GLU A 33 30.312 -38.812 6.362 1.00 3.57 C ATOM 398 CG GLU A 33 30.195 -37.930 7.596 1.00 3.89 C ATOM 399 CD GLU A 33 31.476 -37.884 8.409 1.00 3.97 C ATOM 400 OE1 GLU A 33 32.516 -37.464 7.858 1.00 4.15 O ATOM 401 OE2 GLU A 33 31.440 -38.260 9.599 1.00 4.37 O ATOM 0 H GLU A 33 30.123 -36.637 4.105 1.00 2.79 H new ATOM 0 HA GLU A 33 31.628 -37.299 5.604 1.00 2.95 H new ATOM 0 HB2 GLU A 33 29.312 -39.082 6.022 1.00 3.57 H new ATOM 0 HB3 GLU A 33 30.817 -39.739 6.634 1.00 3.57 H new ATOM 0 HG2 GLU A 33 29.928 -36.919 7.290 1.00 3.89 H new ATOM 0 HG3 GLU A 33 29.384 -38.298 8.225 1.00 3.89 H new ATOM 540 N GLN A 43 40.287 -38.685 13.023 1.00 3.28 N ATOM 541 CA GLN A 43 41.195 -38.074 12.059 1.00 3.01 C ATOM 542 C GLN A 43 40.447 -37.678 10.791 1.00 2.82 C ATOM 543 O GLN A 43 40.795 -36.697 10.135 1.00 2.61 O ATOM 544 CB GLN A 43 42.340 -39.033 11.722 1.00 3.07 C ATOM 545 CG GLN A 43 43.555 -38.876 12.626 1.00 3.47 C ATOM 546 CD GLN A 43 43.225 -39.075 14.093 1.00 3.77 C ATOM 547 OE1 GLN A 43 43.445 -38.188 14.917 1.00 4.06 O ATOM 548 NE2 GLN A 43 42.696 -40.246 14.428 1.00 4.24 N ATOM 0 HA GLN A 43 41.614 -37.173 12.507 1.00 3.01 H new ATOM 0 HB2 GLN A 43 41.976 -40.058 11.792 1.00 3.07 H new ATOM 0 HB3 GLN A 43 42.644 -38.872 10.688 1.00 3.07 H new ATOM 0 HG2 GLN A 43 44.318 -39.595 12.329 1.00 3.47 H new ATOM 0 HG3 GLN A 43 43.981 -37.883 12.485 1.00 3.47 H new ATOM 0 HE21 GLN A 43 42.530 -40.954 13.713 1.00 4.24 H new ATOM 0 HE22 GLN A 43 42.456 -40.437 15.401 1.00 4.24 H new ATOM 557 N ASN A 44 39.413 -38.445 10.454 1.00 2.97 N ATOM 558 CA ASN A 44 38.612 -38.164 9.267 1.00 2.93 C ATOM 559 C ASN A 44 37.868 -36.846 9.437 1.00 2.82 C ATOM 560 O ASN A 44 37.897 -35.988 8.557 1.00 2.66 O ATOM 561 CB ASN A 44 37.621 -39.302 8.998 1.00 3.26 C ATOM 562 CG ASN A 44 36.586 -38.940 7.948 1.00 3.37 C ATOM 563 OD1 ASN A 44 35.533 -38.387 8.263 1.00 3.42 O ATOM 564 ND2 ASN A 44 36.883 -39.251 6.692 1.00 3.83 N ATOM 0 H ASN A 44 39.112 -39.263 10.984 1.00 2.97 H new ATOM 0 HA ASN A 44 39.282 -38.084 8.411 1.00 2.93 H new ATOM 0 HB2 ASN A 44 38.169 -40.186 8.673 1.00 3.26 H new ATOM 0 HB3 ASN A 44 37.114 -39.565 9.927 1.00 3.26 H new ATOM 0 HD21 ASN A 44 36.226 -39.032 5.943 1.00 3.83 H new ATOM 0 HD22 ASN A 44 37.768 -39.709 6.476 1.00 3.83 H new ATOM 571 N LEU A 45 37.211 -36.689 10.583 1.00 3.00 N ATOM 572 CA LEU A 45 36.474 -35.466 10.870 1.00 3.01 C ATOM 573 C LEU A 45 37.422 -34.274 10.856 1.00 2.73 C ATOM 574 O LEU A 45 37.164 -33.273 10.191 1.00 2.57 O ATOM 575 CB LEU A 45 35.766 -35.567 12.224 1.00 3.36 C ATOM 576 CG LEU A 45 34.259 -35.835 12.148 1.00 3.84 C ATOM 577 CD1 LEU A 45 33.990 -37.302 11.836 1.00 4.23 C ATOM 578 CD2 LEU A 45 33.577 -35.428 13.448 1.00 4.27 C ATOM 0 H LEU A 45 37.175 -37.390 11.323 1.00 3.00 H new ATOM 0 HA LEU A 45 35.716 -35.326 10.099 1.00 3.01 H new ATOM 0 HB2 LEU A 45 36.233 -36.364 12.803 1.00 3.36 H new ATOM 0 HB3 LEU A 45 35.928 -34.639 12.772 1.00 3.36 H new ATOM 0 HG LEU A 45 33.844 -35.233 11.340 1.00 3.84 H new ATOM 0 HD11 LEU A 45 32.915 -37.472 11.786 1.00 4.23 H new ATOM 0 HD12 LEU A 45 34.443 -37.559 10.878 1.00 4.23 H new ATOM 0 HD13 LEU A 45 34.420 -37.925 12.620 1.00 4.23 H new ATOM 0 HD21 LEU A 45 32.508 -35.626 13.375 1.00 4.27 H new ATOM 0 HD22 LEU A 45 33.997 -36.002 14.274 1.00 4.27 H new ATOM 0 HD23 LEU A 45 33.738 -34.365 13.626 1.00 4.27 H new ATOM 590 N ARG A 46 38.533 -34.399 11.580 1.00 2.73 N ATOM 591 CA ARG A 46 39.532 -33.336 11.639 1.00 2.59 C ATOM 592 C ARG A 46 39.921 -32.890 10.233 1.00 2.28 C ATOM 593 O ARG A 46 39.989 -31.693 9.947 1.00 2.17 O ATOM 594 CB ARG A 46 40.774 -33.815 12.402 1.00 2.76 C ATOM 595 CG ARG A 46 41.079 -33.007 13.659 1.00 2.97 C ATOM 596 CD ARG A 46 39.894 -32.971 14.613 1.00 3.51 C ATOM 597 NE ARG A 46 39.120 -34.212 14.584 1.00 4.06 N ATOM 598 CZ ARG A 46 37.809 -34.275 14.801 1.00 4.80 C ATOM 599 NH1 ARG A 46 37.121 -33.173 15.066 1.00 5.15 N ATOM 600 NH2 ARG A 46 37.187 -35.442 14.757 1.00 5.49 N ATOM 0 H ARG A 46 38.763 -35.225 12.133 1.00 2.73 H new ATOM 0 HA ARG A 46 39.100 -32.486 12.167 1.00 2.59 H new ATOM 0 HB2 ARG A 46 40.637 -34.860 12.679 1.00 2.76 H new ATOM 0 HB3 ARG A 46 41.636 -33.772 11.736 1.00 2.76 H new ATOM 0 HG2 ARG A 46 41.941 -33.439 14.167 1.00 2.97 H new ATOM 0 HG3 ARG A 46 41.351 -31.989 13.379 1.00 2.97 H new ATOM 0 HD2 ARG A 46 40.252 -32.792 15.627 1.00 3.51 H new ATOM 0 HD3 ARG A 46 39.245 -32.135 14.352 1.00 3.51 H new ATOM 0 HE ARG A 46 39.615 -35.081 14.385 1.00 4.06 H new ATOM 0 HH11 ARG A 46 37.597 -32.272 15.104 1.00 5.15 H new ATOM 0 HH12 ARG A 46 36.116 -33.227 15.232 1.00 5.15 H new ATOM 0 HH21 ARG A 46 37.713 -36.293 14.557 1.00 5.49 H new ATOM 0 HH22 ARG A 46 36.182 -35.491 14.923 1.00 5.49 H new ATOM 614 N LYS A 47 40.168 -33.859 9.354 1.00 2.24 N ATOM 615 CA LYS A 47 40.538 -33.559 7.976 1.00 2.12 C ATOM 616 C LYS A 47 39.413 -32.800 7.283 1.00 2.02 C ATOM 617 O LYS A 47 39.647 -31.789 6.621 1.00 1.89 O ATOM 618 CB LYS A 47 40.858 -34.848 7.215 1.00 2.32 C ATOM 619 CG LYS A 47 42.208 -35.450 7.575 1.00 2.70 C ATOM 620 CD LYS A 47 42.290 -36.920 7.186 1.00 3.12 C ATOM 621 CE LYS A 47 43.468 -37.614 7.853 1.00 3.66 C ATOM 622 NZ LYS A 47 44.764 -36.967 7.508 1.00 4.30 N ATOM 0 H LYS A 47 40.118 -34.854 9.572 1.00 2.24 H new ATOM 0 HA LYS A 47 41.430 -32.933 7.984 1.00 2.12 H new ATOM 0 HB2 LYS A 47 40.077 -35.582 7.416 1.00 2.32 H new ATOM 0 HB3 LYS A 47 40.835 -34.643 6.145 1.00 2.32 H new ATOM 0 HG2 LYS A 47 43.000 -34.895 7.071 1.00 2.70 H new ATOM 0 HG3 LYS A 47 42.378 -35.347 8.647 1.00 2.70 H new ATOM 0 HD2 LYS A 47 41.365 -37.423 7.467 1.00 3.12 H new ATOM 0 HD3 LYS A 47 42.383 -37.005 6.103 1.00 3.12 H new ATOM 0 HE2 LYS A 47 43.332 -37.600 8.934 1.00 3.66 H new ATOM 0 HE3 LYS A 47 43.493 -38.660 7.548 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 45.548 -37.538 7.884 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 44.852 -36.896 6.474 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 44.798 -36.015 7.925 1.00 4.30 H new ATOM 636 N LYS A 48 38.188 -33.286 7.457 1.00 2.17 N ATOM 637 CA LYS A 48 37.022 -32.642 6.864 1.00 2.20 C ATOM 638 C LYS A 48 36.954 -31.184 7.299 1.00 2.02 C ATOM 639 O LYS A 48 36.804 -30.285 6.475 1.00 1.90 O ATOM 640 CB LYS A 48 35.738 -33.373 7.273 1.00 2.54 C ATOM 641 CG LYS A 48 35.142 -34.233 6.166 1.00 3.02 C ATOM 642 CD LYS A 48 35.147 -35.709 6.536 1.00 3.19 C ATOM 643 CE LYS A 48 34.345 -36.537 5.543 1.00 3.73 C ATOM 644 NZ LYS A 48 34.939 -36.501 4.178 1.00 4.17 N ATOM 0 H LYS A 48 37.978 -34.122 8.003 1.00 2.17 H new ATOM 0 HA LYS A 48 37.115 -32.686 5.779 1.00 2.20 H new ATOM 0 HB2 LYS A 48 35.949 -34.004 8.137 1.00 2.54 H new ATOM 0 HB3 LYS A 48 34.997 -32.638 7.588 1.00 2.54 H new ATOM 0 HG2 LYS A 48 34.120 -33.911 5.966 1.00 3.02 H new ATOM 0 HG3 LYS A 48 35.708 -34.086 5.246 1.00 3.02 H new ATOM 0 HD2 LYS A 48 36.174 -36.073 6.569 1.00 3.19 H new ATOM 0 HD3 LYS A 48 34.732 -35.836 7.536 1.00 3.19 H new ATOM 0 HE2 LYS A 48 34.295 -37.569 5.889 1.00 3.73 H new ATOM 0 HE3 LYS A 48 33.322 -36.164 5.503 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 34.381 -37.105 3.541 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 34.933 -35.524 3.822 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 35.918 -36.849 4.216 1.00 4.17 H new ATOM 658 N HIS A 49 37.085 -30.959 8.606 1.00 2.10 N ATOM 659 CA HIS A 49 37.052 -29.612 9.160 1.00 2.10 C ATOM 660 C HIS A 49 38.006 -28.698 8.398 1.00 1.82 C ATOM 661 O HIS A 49 37.609 -27.643 7.904 1.00 1.72 O ATOM 662 CB HIS A 49 37.423 -29.639 10.647 1.00 2.37 C ATOM 663 CG HIS A 49 36.962 -28.435 11.408 1.00 2.66 C ATOM 664 ND1 HIS A 49 35.707 -27.883 11.288 1.00 2.97 N ATOM 665 CD2 HIS A 49 37.623 -27.670 12.313 1.00 3.22 C ATOM 666 CE1 HIS A 49 35.646 -26.822 12.103 1.00 3.47 C ATOM 667 NE2 HIS A 49 36.782 -26.651 12.749 1.00 3.60 N ATOM 0 H HIS A 49 37.215 -31.696 9.299 1.00 2.10 H new ATOM 0 HA HIS A 49 36.039 -29.222 9.057 1.00 2.10 H new ATOM 0 HB2 HIS A 49 36.994 -30.531 11.103 1.00 2.37 H new ATOM 0 HB3 HIS A 49 38.506 -29.723 10.740 1.00 2.37 H new ATOM 0 HD2 HIS A 49 38.640 -27.827 12.642 1.00 3.22 H new ATOM 0 HE1 HIS A 49 34.779 -26.189 12.216 1.00 3.47 H new ATOM 0 HE2 HIS A 49 37.000 -25.922 13.428 1.00 3.60 H new ATOM 675 N LYS A 50 39.268 -29.111 8.300 1.00 1.76 N ATOM 676 CA LYS A 50 40.272 -28.327 7.587 1.00 1.67 C ATOM 677 C LYS A 50 39.773 -27.967 6.191 1.00 1.49 C ATOM 678 O LYS A 50 39.906 -26.827 5.746 1.00 1.46 O ATOM 679 CB LYS A 50 41.589 -29.100 7.494 1.00 1.79 C ATOM 680 CG LYS A 50 42.177 -29.471 8.850 1.00 2.13 C ATOM 681 CD LYS A 50 43.260 -28.490 9.284 1.00 2.64 C ATOM 682 CE LYS A 50 42.668 -27.194 9.822 1.00 3.07 C ATOM 683 NZ LYS A 50 41.681 -27.438 10.911 1.00 3.17 N ATOM 0 H LYS A 50 39.618 -29.980 8.704 1.00 1.76 H new ATOM 0 HA LYS A 50 40.448 -27.406 8.143 1.00 1.67 H new ATOM 0 HB2 LYS A 50 41.426 -30.010 6.917 1.00 1.79 H new ATOM 0 HB3 LYS A 50 42.315 -28.500 6.945 1.00 1.79 H new ATOM 0 HG2 LYS A 50 41.384 -29.491 9.597 1.00 2.13 H new ATOM 0 HG3 LYS A 50 42.595 -30.476 8.802 1.00 2.13 H new ATOM 0 HD2 LYS A 50 43.882 -28.951 10.051 1.00 2.64 H new ATOM 0 HD3 LYS A 50 43.910 -28.269 8.438 1.00 2.64 H new ATOM 0 HE2 LYS A 50 43.470 -26.558 10.196 1.00 3.07 H new ATOM 0 HE3 LYS A 50 42.184 -26.652 9.009 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 41.855 -26.775 11.693 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 40.718 -27.296 10.545 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 41.780 -28.414 11.257 1.00 3.17 H new ATOM 697 N ARG A 51 39.184 -28.946 5.510 1.00 1.50 N ATOM 698 CA ARG A 51 38.651 -28.733 4.170 1.00 1.50 C ATOM 699 C ARG A 51 37.587 -27.635 4.193 1.00 1.38 C ATOM 700 O ARG A 51 37.551 -26.775 3.312 1.00 1.27 O ATOM 701 CB ARG A 51 38.085 -30.049 3.610 1.00 1.77 C ATOM 702 CG ARG A 51 36.821 -29.901 2.770 1.00 2.17 C ATOM 703 CD ARG A 51 37.121 -29.338 1.389 1.00 2.52 C ATOM 704 NE ARG A 51 35.904 -28.926 0.693 1.00 2.87 N ATOM 705 CZ ARG A 51 35.178 -29.731 -0.082 1.00 3.47 C ATOM 706 NH1 ARG A 51 35.549 -30.989 -0.273 1.00 4.13 N ATOM 707 NH2 ARG A 51 34.077 -29.274 -0.665 1.00 3.79 N ATOM 0 H ARG A 51 39.064 -29.895 5.865 1.00 1.50 H new ATOM 0 HA ARG A 51 39.456 -28.406 3.512 1.00 1.50 H new ATOM 0 HB2 ARG A 51 38.853 -30.528 3.002 1.00 1.77 H new ATOM 0 HB3 ARG A 51 37.873 -30.720 4.443 1.00 1.77 H new ATOM 0 HG2 ARG A 51 36.336 -30.872 2.669 1.00 2.17 H new ATOM 0 HG3 ARG A 51 36.118 -29.246 3.284 1.00 2.17 H new ATOM 0 HD2 ARG A 51 37.792 -28.484 1.483 1.00 2.52 H new ATOM 0 HD3 ARG A 51 37.642 -30.090 0.796 1.00 2.52 H new ATOM 0 HE ARG A 51 35.591 -27.962 0.808 1.00 2.87 H new ATOM 0 HH11 ARG A 51 36.394 -31.345 0.174 1.00 4.13 H new ATOM 0 HH12 ARG A 51 34.990 -31.601 -0.867 1.00 4.13 H new ATOM 0 HH21 ARG A 51 33.787 -28.307 -0.520 1.00 3.79 H new ATOM 0 HH22 ARG A 51 33.521 -29.890 -1.258 1.00 3.79 H new ATOM 721 N LEU A 52 36.738 -27.659 5.217 1.00 1.51 N ATOM 722 CA LEU A 52 35.692 -26.652 5.357 1.00 1.55 C ATOM 723 C LEU A 52 36.318 -25.278 5.562 1.00 1.33 C ATOM 724 O LEU A 52 35.977 -24.322 4.869 1.00 1.22 O ATOM 725 CB LEU A 52 34.763 -26.988 6.528 1.00 1.88 C ATOM 726 CG LEU A 52 34.076 -28.356 6.446 1.00 2.21 C ATOM 727 CD1 LEU A 52 33.427 -28.711 7.776 1.00 2.58 C ATOM 728 CD2 LEU A 52 33.046 -28.372 5.324 1.00 2.90 C ATOM 0 H LEU A 52 36.754 -28.360 5.957 1.00 1.51 H new ATOM 0 HA LEU A 52 35.098 -26.643 4.443 1.00 1.55 H new ATOM 0 HB2 LEU A 52 35.339 -26.944 7.452 1.00 1.88 H new ATOM 0 HB3 LEU A 52 33.995 -26.217 6.594 1.00 1.88 H new ATOM 0 HG LEU A 52 34.834 -29.107 6.225 1.00 2.21 H new ATOM 0 HD11 LEU A 52 32.945 -29.685 7.697 1.00 2.58 H new ATOM 0 HD12 LEU A 52 34.189 -28.745 8.555 1.00 2.58 H new ATOM 0 HD13 LEU A 52 32.682 -27.957 8.030 1.00 2.58 H new ATOM 0 HD21 LEU A 52 32.569 -29.351 5.282 1.00 2.90 H new ATOM 0 HD22 LEU A 52 32.291 -27.609 5.512 1.00 2.90 H new ATOM 0 HD23 LEU A 52 33.540 -28.168 4.374 1.00 2.90 H new ATOM 740 N GLU A 53 37.246 -25.191 6.511 1.00 1.38 N ATOM 741 CA GLU A 53 37.931 -23.936 6.799 1.00 1.39 C ATOM 742 C GLU A 53 38.465 -23.312 5.514 1.00 1.16 C ATOM 743 O GLU A 53 38.318 -22.111 5.289 1.00 1.13 O ATOM 744 CB GLU A 53 39.079 -24.164 7.788 1.00 1.66 C ATOM 745 CG GLU A 53 38.642 -24.151 9.246 1.00 2.20 C ATOM 746 CD GLU A 53 38.190 -25.514 9.731 1.00 2.62 C ATOM 747 OE1 GLU A 53 39.061 -26.342 10.070 1.00 3.08 O ATOM 748 OE2 GLU A 53 36.965 -25.754 9.768 1.00 3.17 O ATOM 0 H GLU A 53 37.540 -25.975 7.093 1.00 1.38 H new ATOM 0 HA GLU A 53 37.212 -23.251 7.249 1.00 1.39 H new ATOM 0 HB2 GLU A 53 39.552 -25.121 7.568 1.00 1.66 H new ATOM 0 HB3 GLU A 53 39.835 -23.393 7.638 1.00 1.66 H new ATOM 0 HG2 GLU A 53 39.469 -23.805 9.866 1.00 2.20 H new ATOM 0 HG3 GLU A 53 37.828 -23.437 9.371 1.00 2.20 H new ATOM 755 N ALA A 54 39.076 -24.140 4.667 1.00 1.13 N ATOM 756 CA ALA A 54 39.616 -23.665 3.398 1.00 1.16 C ATOM 757 C ALA A 54 38.519 -23.020 2.560 1.00 0.99 C ATOM 758 O ALA A 54 38.647 -21.874 2.125 1.00 1.03 O ATOM 759 CB ALA A 54 40.271 -24.809 2.637 1.00 1.35 C ATOM 0 H ALA A 54 39.208 -25.137 4.837 1.00 1.13 H new ATOM 0 HA ALA A 54 40.376 -22.912 3.605 1.00 1.16 H new ATOM 0 HB1 ALA A 54 40.669 -24.437 1.693 1.00 1.35 H new ATOM 0 HB2 ALA A 54 41.083 -25.225 3.234 1.00 1.35 H new ATOM 0 HB3 ALA A 54 39.531 -25.585 2.439 1.00 1.35 H new ATOM 765 N GLU A 55 37.432 -23.759 2.349 1.00 0.99 N ATOM 766 CA GLU A 55 36.305 -23.251 1.577 1.00 1.06 C ATOM 767 C GLU A 55 35.811 -21.933 2.158 1.00 0.88 C ATOM 768 O GLU A 55 35.596 -20.966 1.433 1.00 0.90 O ATOM 769 CB GLU A 55 35.162 -24.269 1.560 1.00 1.35 C ATOM 770 CG GLU A 55 35.509 -25.566 0.851 1.00 1.84 C ATOM 771 CD GLU A 55 34.280 -26.384 0.503 1.00 1.93 C ATOM 772 OE1 GLU A 55 33.805 -27.142 1.374 1.00 2.60 O ATOM 773 OE2 GLU A 55 33.794 -26.271 -0.641 1.00 2.20 O ATOM 0 H GLU A 55 37.310 -24.708 2.701 1.00 0.99 H new ATOM 0 HA GLU A 55 36.643 -23.083 0.555 1.00 1.06 H new ATOM 0 HB2 GLU A 55 34.872 -24.493 2.586 1.00 1.35 H new ATOM 0 HB3 GLU A 55 34.295 -23.821 1.074 1.00 1.35 H new ATOM 0 HG2 GLU A 55 36.062 -25.341 -0.061 1.00 1.84 H new ATOM 0 HG3 GLU A 55 36.168 -26.158 1.486 1.00 1.84 H new ATOM 780 N LEU A 56 35.636 -21.909 3.478 1.00 0.90 N ATOM 781 CA LEU A 56 35.167 -20.718 4.176 1.00 0.98 C ATOM 782 C LEU A 56 36.033 -19.510 3.844 1.00 0.91 C ATOM 783 O LEU A 56 35.520 -18.421 3.588 1.00 0.99 O ATOM 784 CB LEU A 56 35.171 -20.960 5.691 1.00 1.26 C ATOM 785 CG LEU A 56 33.860 -21.491 6.285 1.00 2.02 C ATOM 786 CD1 LEU A 56 32.800 -20.398 6.318 1.00 2.55 C ATOM 787 CD2 LEU A 56 33.361 -22.707 5.513 1.00 2.67 C ATOM 0 H LEU A 56 35.814 -22.708 4.087 1.00 0.90 H new ATOM 0 HA LEU A 56 34.149 -20.511 3.845 1.00 0.98 H new ATOM 0 HB2 LEU A 56 35.967 -21.667 5.925 1.00 1.26 H new ATOM 0 HB3 LEU A 56 35.421 -20.023 6.189 1.00 1.26 H new ATOM 0 HG LEU A 56 34.058 -21.804 7.310 1.00 2.02 H new ATOM 0 HD11 LEU A 56 31.879 -20.797 6.743 1.00 2.55 H new ATOM 0 HD12 LEU A 56 33.152 -19.568 6.930 1.00 2.55 H new ATOM 0 HD13 LEU A 56 32.609 -20.046 5.304 1.00 2.55 H new ATOM 0 HD21 LEU A 56 32.431 -23.062 5.956 1.00 2.67 H new ATOM 0 HD22 LEU A 56 33.186 -22.431 4.473 1.00 2.67 H new ATOM 0 HD23 LEU A 56 34.109 -23.498 5.557 1.00 2.67 H new ATOM 799 N ALA A 57 37.346 -19.713 3.861 1.00 0.92 N ATOM 800 CA ALA A 57 38.292 -18.643 3.570 1.00 1.14 C ATOM 801 C ALA A 57 37.953 -17.946 2.257 1.00 1.08 C ATOM 802 O ALA A 57 37.918 -16.720 2.186 1.00 1.22 O ATOM 803 CB ALA A 57 39.706 -19.199 3.526 1.00 1.37 C ATOM 0 H ALA A 57 37.780 -20.611 4.074 1.00 0.92 H new ATOM 0 HA ALA A 57 38.224 -17.902 4.366 1.00 1.14 H new ATOM 0 HB1 ALA A 57 40.407 -18.393 3.308 1.00 1.37 H new ATOM 0 HB2 ALA A 57 39.952 -19.643 4.490 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.774 -19.959 2.748 1.00 1.37 H new ATOM 809 N ALA A 58 37.709 -18.740 1.221 1.00 1.03 N ATOM 810 CA ALA A 58 37.373 -18.207 -0.096 1.00 1.19 C ATOM 811 C ALA A 58 35.905 -17.803 -0.168 1.00 1.03 C ATOM 812 O ALA A 58 35.521 -16.961 -0.981 1.00 1.17 O ATOM 813 CB ALA A 58 37.683 -19.241 -1.165 1.00 1.43 C ATOM 0 H ALA A 58 37.737 -19.759 1.267 1.00 1.03 H new ATOM 0 HA ALA A 58 37.977 -17.316 -0.269 1.00 1.19 H new ATOM 0 HB1 ALA A 58 37.430 -18.838 -2.146 1.00 1.43 H new ATOM 0 HB2 ALA A 58 38.745 -19.487 -1.136 1.00 1.43 H new ATOM 0 HB3 ALA A 58 37.097 -20.141 -0.981 1.00 1.43 H new ATOM 819 N HIS A 59 35.091 -18.411 0.686 1.00 0.87 N ATOM 820 CA HIS A 59 33.671 -18.136 0.723 1.00 0.90 C ATOM 821 C HIS A 59 33.388 -16.803 1.394 1.00 0.80 C ATOM 822 O HIS A 59 32.331 -16.219 1.188 1.00 0.89 O ATOM 823 CB HIS A 59 32.951 -19.265 1.451 1.00 1.13 C ATOM 824 CG HIS A 59 31.497 -19.337 1.140 1.00 1.46 C ATOM 825 ND1 HIS A 59 30.436 -19.202 1.961 1.00 2.16 N flip ATOM 826 CD2 HIS A 59 30.986 -19.559 -0.120 1.00 1.68 C flip ATOM 827 CE1 HIS A 59 29.265 -19.341 1.223 1.00 2.61 C flip ATOM 828 NE2 HIS A 59 29.650 -19.551 -0.023 1.00 2.36 N flip ATOM 0 H HIS A 59 35.400 -19.104 1.367 1.00 0.87 H new ATOM 0 HA HIS A 59 33.301 -18.075 -0.301 1.00 0.90 H new ATOM 0 HB2 HIS A 59 33.419 -20.214 1.187 1.00 1.13 H new ATOM 0 HB3 HIS A 59 33.079 -19.134 2.526 1.00 1.13 H new ATOM 0 HD1 HIS A 59 30.484 -19.026 2.965 1.00 2.16 H new ATOM 0 HD2 HIS A 59 31.559 -19.712 -1.023 1.00 1.68 H new ATOM 0 HE1 HIS A 59 28.251 -19.288 1.592 1.00 2.61 H new ATOM 0 HE2 HIS A 59 29.014 -19.689 -0.808 1.00 2.36 H new ATOM 836 N GLU A 60 34.333 -16.322 2.197 1.00 0.87 N ATOM 837 CA GLU A 60 34.156 -15.047 2.879 1.00 1.09 C ATOM 838 C GLU A 60 34.137 -13.918 1.851 1.00 1.11 C ATOM 839 O GLU A 60 33.133 -13.219 1.711 1.00 1.12 O ATOM 840 CB GLU A 60 35.264 -14.825 3.919 1.00 1.39 C ATOM 841 CG GLU A 60 34.780 -14.912 5.360 1.00 1.92 C ATOM 842 CD GLU A 60 34.846 -16.323 5.925 1.00 2.39 C ATOM 843 OE1 GLU A 60 35.932 -16.937 5.867 1.00 2.70 O ATOM 844 OE2 GLU A 60 33.812 -16.809 6.432 1.00 3.01 O ATOM 0 H GLU A 60 35.219 -16.790 2.389 1.00 0.87 H new ATOM 0 HA GLU A 60 33.205 -15.057 3.411 1.00 1.09 H new ATOM 0 HB2 GLU A 60 36.049 -15.565 3.764 1.00 1.39 H new ATOM 0 HB3 GLU A 60 35.713 -13.845 3.755 1.00 1.39 H new ATOM 0 HG2 GLU A 60 35.383 -14.249 5.981 1.00 1.92 H new ATOM 0 HG3 GLU A 60 33.753 -14.552 5.415 1.00 1.92 H new ATOM 851 N PRO A 61 35.241 -13.730 1.100 1.00 1.23 N ATOM 852 CA PRO A 61 35.319 -12.694 0.067 1.00 1.42 C ATOM 853 C PRO A 61 34.149 -12.788 -0.907 1.00 1.32 C ATOM 854 O PRO A 61 33.571 -11.775 -1.303 1.00 1.44 O ATOM 855 CB PRO A 61 36.633 -13.009 -0.655 1.00 1.60 C ATOM 856 CG PRO A 61 37.458 -13.728 0.352 1.00 1.59 C ATOM 857 CD PRO A 61 36.491 -14.512 1.195 1.00 1.29 C ATOM 0 HA PRO A 61 35.280 -11.688 0.485 1.00 1.42 H new ATOM 0 HB2 PRO A 61 36.461 -13.625 -1.538 1.00 1.60 H new ATOM 0 HB3 PRO A 61 37.127 -12.098 -0.993 1.00 1.60 H new ATOM 0 HG2 PRO A 61 38.178 -14.388 -0.132 1.00 1.59 H new ATOM 0 HG3 PRO A 61 38.028 -13.027 0.962 1.00 1.59 H new ATOM 0 HD2 PRO A 61 36.360 -15.526 0.818 1.00 1.29 H new ATOM 0 HD3 PRO A 61 36.834 -14.597 2.226 1.00 1.29 H new ATOM 865 N ALA A 62 33.811 -14.020 -1.286 1.00 1.18 N ATOM 866 CA ALA A 62 32.713 -14.269 -2.218 1.00 1.22 C ATOM 867 C ALA A 62 31.376 -13.843 -1.628 1.00 1.00 C ATOM 868 O ALA A 62 30.605 -13.129 -2.266 1.00 1.06 O ATOM 869 CB ALA A 62 32.667 -15.742 -2.599 1.00 1.31 C ATOM 0 H ALA A 62 34.284 -14.863 -0.961 1.00 1.18 H new ATOM 0 HA ALA A 62 32.894 -13.672 -3.112 1.00 1.22 H new ATOM 0 HB1 ALA A 62 31.844 -15.913 -3.293 1.00 1.31 H new ATOM 0 HB2 ALA A 62 33.607 -16.025 -3.073 1.00 1.31 H new ATOM 0 HB3 ALA A 62 32.517 -16.345 -1.703 1.00 1.31 H new ATOM 875 N ILE A 63 31.102 -14.303 -0.414 1.00 0.82 N ATOM 876 CA ILE A 63 29.859 -13.980 0.274 1.00 0.73 C ATOM 877 C ILE A 63 29.690 -12.468 0.369 1.00 0.73 C ATOM 878 O ILE A 63 28.662 -11.920 -0.034 1.00 0.73 O ATOM 879 CB ILE A 63 29.838 -14.603 1.698 1.00 0.79 C ATOM 880 CG1 ILE A 63 29.333 -16.058 1.681 1.00 1.08 C ATOM 881 CG2 ILE A 63 28.985 -13.772 2.649 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.644 -16.839 0.416 1.00 0.67 C ATOM 0 H ILE A 63 31.730 -14.906 0.118 1.00 0.82 H new ATOM 0 HA ILE A 63 29.033 -14.399 -0.300 1.00 0.73 H new ATOM 0 HB ILE A 63 30.868 -14.605 2.055 1.00 0.79 H new ATOM 0 HG12 ILE A 63 29.767 -16.586 2.530 1.00 1.08 H new ATOM 0 HG13 ILE A 63 28.253 -16.052 1.828 1.00 1.08 H new ATOM 0 HG21 ILE A 63 28.989 -14.232 3.637 1.00 0.96 H new ATOM 0 HG22 ILE A 63 29.393 -12.763 2.716 1.00 0.96 H new ATOM 0 HG23 ILE A 63 27.962 -13.726 2.274 1.00 0.96 H new ATOM 0 HD11 ILE A 63 29.246 -17.850 0.505 1.00 0.67 H new ATOM 0 HD12 ILE A 63 29.186 -16.343 -0.440 1.00 0.67 H new ATOM 0 HD13 ILE A 63 30.724 -16.885 0.273 1.00 0.67 H new ATOM 894 N GLN A 64 30.713 -11.800 0.892 1.00 0.83 N ATOM 895 CA GLN A 64 30.691 -10.350 1.029 1.00 0.95 C ATOM 896 C GLN A 64 30.396 -9.696 -0.314 1.00 0.95 C ATOM 897 O GLN A 64 29.494 -8.869 -0.427 1.00 0.92 O ATOM 898 CB GLN A 64 32.030 -9.846 1.577 1.00 1.17 C ATOM 899 CG GLN A 64 32.202 -10.072 3.072 1.00 1.62 C ATOM 900 CD GLN A 64 31.651 -8.931 3.907 1.00 2.58 C ATOM 901 OE1 GLN A 64 31.834 -7.759 3.578 1.00 3.24 O ATOM 902 NE2 GLN A 64 30.970 -9.269 4.995 1.00 3.27 N ATOM 0 H GLN A 64 31.569 -12.242 1.228 1.00 0.83 H new ATOM 0 HA GLN A 64 29.902 -10.081 1.731 1.00 0.95 H new ATOM 0 HB2 GLN A 64 32.841 -10.346 1.047 1.00 1.17 H new ATOM 0 HB3 GLN A 64 32.121 -8.780 1.367 1.00 1.17 H new ATOM 0 HG2 GLN A 64 31.701 -10.998 3.355 1.00 1.62 H new ATOM 0 HG3 GLN A 64 33.261 -10.201 3.296 1.00 1.62 H new ATOM 0 HE21 GLN A 64 30.842 -10.253 5.231 1.00 3.27 H new ATOM 0 HE22 GLN A 64 30.575 -8.545 5.595 1.00 3.27 H new ATOM 911 N GLY A 65 31.160 -10.078 -1.336 1.00 1.05 N ATOM 912 CA GLY A 65 30.957 -9.526 -2.660 1.00 1.14 C ATOM 913 C GLY A 65 29.501 -9.562 -3.070 1.00 0.94 C ATOM 914 O GLY A 65 28.957 -8.562 -3.538 1.00 0.94 O ATOM 0 H GLY A 65 31.915 -10.760 -1.268 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.315 -8.497 -2.683 1.00 1.14 H new ATOM 0 HA3 GLY A 65 31.551 -10.086 -3.382 1.00 1.14 H new ATOM 918 N VAL A 66 28.858 -10.714 -2.878 1.00 0.83 N ATOM 919 CA VAL A 66 27.450 -10.859 -3.226 1.00 0.72 C ATOM 920 C VAL A 66 26.615 -9.822 -2.491 1.00 0.59 C ATOM 921 O VAL A 66 25.887 -9.043 -3.106 1.00 0.56 O ATOM 922 CB VAL A 66 26.932 -12.279 -2.895 1.00 0.77 C ATOM 923 CG1 VAL A 66 25.432 -12.392 -3.141 1.00 1.22 C ATOM 924 CG2 VAL A 66 27.689 -13.318 -3.707 1.00 1.46 C ATOM 0 H VAL A 66 29.288 -11.552 -2.487 1.00 0.83 H new ATOM 0 HA VAL A 66 27.356 -10.702 -4.301 1.00 0.72 H new ATOM 0 HB VAL A 66 27.108 -12.466 -1.836 1.00 0.77 H new ATOM 0 HG11 VAL A 66 25.099 -13.401 -2.899 1.00 1.22 H new ATOM 0 HG12 VAL A 66 24.905 -11.675 -2.511 1.00 1.22 H new ATOM 0 HG13 VAL A 66 25.218 -12.180 -4.189 1.00 1.22 H new ATOM 0 HG21 VAL A 66 27.315 -14.313 -3.465 1.00 1.46 H new ATOM 0 HG22 VAL A 66 27.544 -13.125 -4.770 1.00 1.46 H new ATOM 0 HG23 VAL A 66 28.751 -13.262 -3.469 1.00 1.46 H new ATOM 934 N LEU A 67 26.746 -9.802 -1.170 1.00 0.58 N ATOM 935 CA LEU A 67 26.016 -8.848 -0.344 1.00 0.62 C ATOM 936 C LEU A 67 26.235 -7.422 -0.838 1.00 0.69 C ATOM 937 O LEU A 67 25.279 -6.675 -1.036 1.00 0.71 O ATOM 938 CB LEU A 67 26.442 -8.970 1.124 1.00 0.74 C ATOM 939 CG LEU A 67 25.741 -8.003 2.088 1.00 1.29 C ATOM 940 CD1 LEU A 67 25.399 -8.702 3.397 1.00 1.90 C ATOM 941 CD2 LEU A 67 26.612 -6.780 2.345 1.00 2.13 C ATOM 0 H LEU A 67 27.351 -10.436 -0.648 1.00 0.58 H new ATOM 0 HA LEU A 67 24.954 -9.080 -0.421 1.00 0.62 H new ATOM 0 HB2 LEU A 67 26.254 -9.991 1.457 1.00 0.74 H new ATOM 0 HB3 LEU A 67 27.518 -8.807 1.189 1.00 0.74 H new ATOM 0 HG LEU A 67 24.811 -7.672 1.625 1.00 1.29 H new ATOM 0 HD11 LEU A 67 24.903 -7.999 4.066 1.00 1.90 H new ATOM 0 HD12 LEU A 67 24.735 -9.543 3.198 1.00 1.90 H new ATOM 0 HD13 LEU A 67 26.314 -9.065 3.866 1.00 1.90 H new ATOM 0 HD21 LEU A 67 26.099 -6.106 3.031 1.00 2.13 H new ATOM 0 HD22 LEU A 67 27.559 -7.094 2.785 1.00 2.13 H new ATOM 0 HD23 LEU A 67 26.802 -6.265 1.404 1.00 2.13 H new ATOM 953 N ASP A 68 27.496 -7.047 -1.037 1.00 0.79 N ATOM 954 CA ASP A 68 27.822 -5.707 -1.510 1.00 0.94 C ATOM 955 C ASP A 68 27.107 -5.405 -2.823 1.00 0.86 C ATOM 956 O ASP A 68 26.492 -4.350 -2.968 1.00 0.91 O ATOM 957 CB ASP A 68 29.331 -5.536 -1.691 1.00 1.12 C ATOM 958 CG ASP A 68 29.670 -4.219 -2.367 1.00 1.55 C ATOM 959 OD1 ASP A 68 29.712 -3.185 -1.668 1.00 2.24 O ATOM 960 OD2 ASP A 68 29.872 -4.221 -3.599 1.00 2.04 O ATOM 0 H ASP A 68 28.304 -7.649 -0.879 1.00 0.79 H new ATOM 0 HA ASP A 68 27.481 -5.002 -0.752 1.00 0.94 H new ATOM 0 HB2 ASP A 68 29.822 -5.583 -0.719 1.00 1.12 H new ATOM 0 HB3 ASP A 68 29.722 -6.362 -2.286 1.00 1.12 H new ATOM 965 N THR A 69 27.189 -6.328 -3.782 1.00 0.80 N ATOM 966 CA THR A 69 26.539 -6.129 -5.071 1.00 0.80 C ATOM 967 C THR A 69 25.037 -5.937 -4.879 1.00 0.67 C ATOM 968 O THR A 69 24.463 -4.962 -5.367 1.00 0.73 O ATOM 969 CB THR A 69 26.820 -7.303 -6.012 1.00 0.86 C ATOM 970 OG1 THR A 69 28.197 -7.635 -5.998 1.00 1.02 O ATOM 971 CG2 THR A 69 26.435 -7.020 -7.449 1.00 0.94 C ATOM 0 H THR A 69 27.694 -7.210 -3.690 1.00 0.80 H new ATOM 0 HA THR A 69 26.949 -5.229 -5.529 1.00 0.80 H new ATOM 0 HB THR A 69 26.209 -8.126 -5.641 1.00 0.86 H new ATOM 0 HG1 THR A 69 28.411 -8.108 -5.167 1.00 1.02 H new ATOM 0 HG21 THR A 69 26.659 -7.891 -8.064 1.00 0.94 H new ATOM 0 HG22 THR A 69 25.368 -6.802 -7.504 1.00 0.94 H new ATOM 0 HG23 THR A 69 27.000 -6.162 -7.815 1.00 0.94 H new ATOM 979 N GLY A 70 24.403 -6.850 -4.137 1.00 0.57 N ATOM 980 CA GLY A 70 22.977 -6.723 -3.881 1.00 0.59 C ATOM 981 C GLY A 70 22.651 -5.361 -3.299 1.00 0.69 C ATOM 982 O GLY A 70 21.692 -4.703 -3.708 1.00 0.79 O ATOM 0 H GLY A 70 24.848 -7.665 -3.714 1.00 0.57 H new ATOM 0 HA2 GLY A 70 22.423 -6.869 -4.808 1.00 0.59 H new ATOM 0 HA3 GLY A 70 22.656 -7.504 -3.191 1.00 0.59 H new ATOM 986 N LYS A 71 23.473 -4.930 -2.345 1.00 0.76 N ATOM 987 CA LYS A 71 23.303 -3.635 -1.703 1.00 0.94 C ATOM 988 C LYS A 71 23.448 -2.521 -2.734 1.00 0.99 C ATOM 989 O LYS A 71 22.780 -1.490 -2.654 1.00 1.12 O ATOM 990 CB LYS A 71 24.339 -3.469 -0.581 1.00 1.05 C ATOM 991 CG LYS A 71 24.462 -2.049 -0.039 1.00 1.35 C ATOM 992 CD LYS A 71 25.897 -1.538 -0.114 1.00 1.91 C ATOM 993 CE LYS A 71 26.200 -0.882 -1.455 1.00 2.53 C ATOM 994 NZ LYS A 71 27.185 -1.665 -2.252 1.00 3.25 N ATOM 0 H LYS A 71 24.269 -5.466 -1.999 1.00 0.76 H new ATOM 0 HA LYS A 71 22.305 -3.577 -1.268 1.00 0.94 H new ATOM 0 HB2 LYS A 71 24.077 -4.136 0.240 1.00 1.05 H new ATOM 0 HB3 LYS A 71 25.313 -3.788 -0.953 1.00 1.05 H new ATOM 0 HG2 LYS A 71 23.809 -1.385 -0.606 1.00 1.35 H new ATOM 0 HG3 LYS A 71 24.120 -2.024 0.996 1.00 1.35 H new ATOM 0 HD2 LYS A 71 26.068 -0.820 0.688 1.00 1.91 H new ATOM 0 HD3 LYS A 71 26.586 -2.367 0.048 1.00 1.91 H new ATOM 0 HE2 LYS A 71 25.276 -0.777 -2.024 1.00 2.53 H new ATOM 0 HE3 LYS A 71 26.587 0.123 -1.287 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 27.439 -1.134 -3.109 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 28.039 -1.831 -1.682 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 26.766 -2.578 -2.522 1.00 3.25 H new ATOM 1008 N LYS A 72 24.321 -2.743 -3.714 1.00 0.95 N ATOM 1009 CA LYS A 72 24.548 -1.764 -4.769 1.00 1.08 C ATOM 1010 C LYS A 72 23.250 -1.483 -5.520 1.00 1.06 C ATOM 1011 O LYS A 72 22.846 -0.330 -5.673 1.00 1.26 O ATOM 1012 CB LYS A 72 25.631 -2.255 -5.738 1.00 1.14 C ATOM 1013 CG LYS A 72 26.775 -1.266 -5.929 1.00 1.49 C ATOM 1014 CD LYS A 72 26.728 -0.595 -7.297 1.00 2.07 C ATOM 1015 CE LYS A 72 26.516 0.908 -7.184 1.00 2.89 C ATOM 1016 NZ LYS A 72 25.073 1.262 -7.111 1.00 3.71 N ATOM 0 H LYS A 72 24.881 -3.591 -3.798 1.00 0.95 H new ATOM 0 HA LYS A 72 24.893 -0.837 -4.310 1.00 1.08 H new ATOM 0 HB2 LYS A 72 26.035 -3.198 -5.370 1.00 1.14 H new ATOM 0 HB3 LYS A 72 25.174 -2.460 -6.706 1.00 1.14 H new ATOM 0 HG2 LYS A 72 26.730 -0.505 -5.150 1.00 1.49 H new ATOM 0 HG3 LYS A 72 27.726 -1.785 -5.812 1.00 1.49 H new ATOM 0 HD2 LYS A 72 27.658 -0.792 -7.830 1.00 2.07 H new ATOM 0 HD3 LYS A 72 25.923 -1.032 -7.888 1.00 2.07 H new ATOM 0 HE2 LYS A 72 27.026 1.281 -6.296 1.00 2.89 H new ATOM 0 HE3 LYS A 72 26.968 1.404 -8.043 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 24.969 2.297 -7.103 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 24.577 0.871 -7.937 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 24.662 0.866 -6.241 1.00 3.71 H new ATOM 1030 N LEU A 73 22.592 -2.545 -5.975 1.00 0.89 N ATOM 1031 CA LEU A 73 21.330 -2.406 -6.698 1.00 0.98 C ATOM 1032 C LEU A 73 20.322 -1.626 -5.863 1.00 1.14 C ATOM 1033 O LEU A 73 19.530 -0.845 -6.392 1.00 1.32 O ATOM 1034 CB LEU A 73 20.742 -3.776 -7.064 1.00 0.97 C ATOM 1035 CG LEU A 73 21.720 -4.954 -7.043 1.00 0.92 C ATOM 1036 CD1 LEU A 73 20.985 -6.252 -7.347 1.00 0.96 C ATOM 1037 CD2 LEU A 73 22.858 -4.734 -8.033 1.00 1.52 C ATOM 0 H LEU A 73 22.909 -3.507 -5.857 1.00 0.89 H new ATOM 0 HA LEU A 73 21.537 -1.861 -7.619 1.00 0.98 H new ATOM 0 HB2 LEU A 73 19.926 -3.995 -6.375 1.00 0.97 H new ATOM 0 HB3 LEU A 73 20.308 -3.708 -8.061 1.00 0.97 H new ATOM 0 HG LEU A 73 22.154 -5.025 -6.045 1.00 0.92 H new ATOM 0 HD11 LEU A 73 21.691 -7.082 -7.329 1.00 0.96 H new ATOM 0 HD12 LEU A 73 20.212 -6.417 -6.596 1.00 0.96 H new ATOM 0 HD13 LEU A 73 20.525 -6.187 -8.333 1.00 0.96 H new ATOM 0 HD21 LEU A 73 23.539 -5.584 -7.999 1.00 1.52 H new ATOM 0 HD22 LEU A 73 22.451 -4.635 -9.039 1.00 1.52 H new ATOM 0 HD23 LEU A 73 23.399 -3.825 -7.769 1.00 1.52 H new ATOM 1049 N SER A 74 20.352 -1.859 -4.552 1.00 1.13 N ATOM 1050 CA SER A 74 19.441 -1.192 -3.631 1.00 1.36 C ATOM 1051 C SER A 74 19.665 0.316 -3.623 1.00 1.52 C ATOM 1052 O SER A 74 18.706 1.086 -3.695 1.00 1.76 O ATOM 1053 CB SER A 74 19.599 -1.761 -2.221 1.00 1.37 C ATOM 1054 OG SER A 74 19.451 -3.171 -2.222 1.00 1.67 O ATOM 0 H SER A 74 21.000 -2.507 -4.105 1.00 1.13 H new ATOM 0 HA SER A 74 18.423 -1.377 -3.975 1.00 1.36 H new ATOM 0 HB2 SER A 74 20.579 -1.495 -1.826 1.00 1.37 H new ATOM 0 HB3 SER A 74 18.857 -1.314 -1.560 1.00 1.37 H new ATOM 0 HG SER A 74 20.243 -3.583 -2.627 1.00 1.67 H new ATOM 1060 N ASP A 75 20.928 0.743 -3.539 1.00 1.47 N ATOM 1061 CA ASP A 75 21.231 2.171 -3.530 1.00 1.71 C ATOM 1062 C ASP A 75 20.735 2.814 -4.822 1.00 1.86 C ATOM 1063 O ASP A 75 20.273 3.956 -4.820 1.00 2.14 O ATOM 1064 CB ASP A 75 22.733 2.433 -3.308 1.00 1.72 C ATOM 1065 CG ASP A 75 23.597 2.198 -4.537 1.00 1.79 C ATOM 1066 OD1 ASP A 75 23.367 2.863 -5.569 1.00 2.15 O ATOM 1067 OD2 ASP A 75 24.524 1.367 -4.458 1.00 2.34 O ATOM 0 H ASP A 75 21.742 0.131 -3.477 1.00 1.47 H new ATOM 0 HA ASP A 75 20.707 2.629 -2.691 1.00 1.71 H new ATOM 0 HB2 ASP A 75 22.865 3.463 -2.977 1.00 1.72 H new ATOM 0 HB3 ASP A 75 23.087 1.791 -2.501 1.00 1.72 H new ATOM 1072 N ASP A 76 20.810 2.061 -5.918 1.00 1.77 N ATOM 1073 CA ASP A 76 20.340 2.541 -7.215 1.00 2.01 C ATOM 1074 C ASP A 76 18.814 2.598 -7.227 1.00 1.98 C ATOM 1075 O ASP A 76 18.219 3.452 -7.884 1.00 2.28 O ATOM 1076 CB ASP A 76 20.828 1.625 -8.343 1.00 2.20 C ATOM 1077 CG ASP A 76 22.338 1.473 -8.372 1.00 2.36 C ATOM 1078 OD1 ASP A 76 23.039 2.503 -8.439 1.00 2.89 O ATOM 1079 OD2 ASP A 76 22.820 0.320 -8.338 1.00 2.64 O ATOM 0 H ASP A 76 21.192 1.115 -5.933 1.00 1.77 H new ATOM 0 HA ASP A 76 20.744 3.540 -7.377 1.00 2.01 H new ATOM 0 HB2 ASP A 76 20.372 0.642 -8.228 1.00 2.20 H new ATOM 0 HB3 ASP A 76 20.490 2.024 -9.299 1.00 2.20 H new ATOM 1084 N ASN A 77 18.199 1.665 -6.496 1.00 1.87 N ATOM 1085 CA ASN A 77 16.741 1.564 -6.400 1.00 2.13 C ATOM 1086 C ASN A 77 16.167 0.883 -7.637 1.00 1.92 C ATOM 1087 O ASN A 77 15.099 1.252 -8.131 1.00 2.30 O ATOM 1088 CB ASN A 77 16.095 2.943 -6.198 1.00 3.00 C ATOM 1089 CG ASN A 77 14.839 2.879 -5.347 1.00 3.68 C ATOM 1090 OD1 ASN A 77 14.403 1.802 -4.936 1.00 3.93 O ATOM 1091 ND2 ASN A 77 14.249 4.038 -5.076 1.00 4.42 N ATOM 0 H ASN A 77 18.698 0.959 -5.954 1.00 1.87 H new ATOM 0 HA ASN A 77 16.509 0.955 -5.526 1.00 2.13 H new ATOM 0 HB2 ASN A 77 16.815 3.612 -5.727 1.00 3.00 H new ATOM 0 HB3 ASN A 77 15.850 3.371 -7.170 1.00 3.00 H new ATOM 0 HD21 ASN A 77 13.402 4.059 -4.508 1.00 4.42 H new ATOM 0 HD22 ASN A 77 14.643 4.907 -5.436 1.00 4.42 H new ATOM 1098 N THR A 78 16.890 -0.118 -8.130 1.00 2.42 N ATOM 1099 CA THR A 78 16.469 -0.868 -9.311 1.00 3.13 C ATOM 1100 C THR A 78 15.320 -1.817 -8.971 1.00 3.07 C ATOM 1101 O THR A 78 15.286 -2.402 -7.887 1.00 3.33 O ATOM 1102 CB THR A 78 17.648 -1.661 -9.881 1.00 4.02 C ATOM 1103 OG1 THR A 78 18.334 -2.351 -8.850 1.00 4.29 O ATOM 1104 CG2 THR A 78 18.660 -0.797 -10.606 1.00 4.87 C ATOM 0 H THR A 78 17.774 -0.430 -7.729 1.00 2.42 H new ATOM 0 HA THR A 78 16.120 -0.157 -10.060 1.00 3.13 H new ATOM 0 HB THR A 78 17.208 -2.355 -10.597 1.00 4.02 H new ATOM 0 HG1 THR A 78 18.449 -3.290 -9.105 1.00 4.29 H new ATOM 0 HG21 THR A 78 19.468 -1.423 -10.984 1.00 4.87 H new ATOM 0 HG22 THR A 78 18.174 -0.289 -11.439 1.00 4.87 H new ATOM 0 HG23 THR A 78 19.066 -0.057 -9.917 1.00 4.87 H new ATOM 1112 N ILE A 79 14.383 -1.969 -9.905 1.00 3.06 N ATOM 1113 CA ILE A 79 13.237 -2.852 -9.704 1.00 3.21 C ATOM 1114 C ILE A 79 13.693 -4.300 -9.552 1.00 2.90 C ATOM 1115 O ILE A 79 14.215 -4.898 -10.495 1.00 3.08 O ATOM 1116 CB ILE A 79 12.233 -2.756 -10.875 1.00 3.81 C ATOM 1117 CG1 ILE A 79 11.839 -1.295 -11.130 1.00 4.11 C ATOM 1118 CG2 ILE A 79 10.998 -3.601 -10.590 1.00 4.49 C ATOM 1119 CD1 ILE A 79 11.173 -0.625 -9.947 1.00 4.56 C ATOM 0 H ILE A 79 14.395 -1.493 -10.807 1.00 3.06 H new ATOM 0 HA ILE A 79 12.739 -2.528 -8.790 1.00 3.21 H new ATOM 0 HB ILE A 79 12.715 -3.143 -11.773 1.00 3.81 H new ATOM 0 HG12 ILE A 79 12.731 -0.730 -11.400 1.00 4.11 H new ATOM 0 HG13 ILE A 79 11.165 -1.255 -11.985 1.00 4.11 H new ATOM 0 HG21 ILE A 79 10.302 -3.521 -11.425 1.00 4.49 H new ATOM 0 HG22 ILE A 79 11.292 -4.643 -10.461 1.00 4.49 H new ATOM 0 HG23 ILE A 79 10.515 -3.244 -9.680 1.00 4.49 H new ATOM 0 HD11 ILE A 79 10.924 0.405 -10.204 1.00 4.56 H new ATOM 0 HD12 ILE A 79 10.262 -1.165 -9.689 1.00 4.56 H new ATOM 0 HD13 ILE A 79 11.853 -0.632 -9.095 1.00 4.56 H new ATOM 1131 N GLY A 80 13.500 -4.855 -8.357 1.00 2.87 N ATOM 1132 CA GLY A 80 13.901 -6.226 -8.091 1.00 2.77 C ATOM 1133 C GLY A 80 14.766 -6.329 -6.852 1.00 2.49 C ATOM 1134 O GLY A 80 14.874 -7.396 -6.248 1.00 2.38 O ATOM 0 H GLY A 80 13.071 -4.376 -7.565 1.00 2.87 H new ATOM 0 HA2 GLY A 80 13.014 -6.847 -7.967 1.00 2.77 H new ATOM 0 HA3 GLY A 80 14.447 -6.618 -8.949 1.00 2.77 H new ATOM 1138 N LYS A 81 15.378 -5.209 -6.475 1.00 2.47 N ATOM 1139 CA LYS A 81 16.244 -5.156 -5.297 1.00 2.30 C ATOM 1140 C LYS A 81 15.577 -5.801 -4.082 1.00 2.13 C ATOM 1141 O LYS A 81 16.207 -6.567 -3.364 1.00 1.92 O ATOM 1142 CB LYS A 81 16.640 -3.701 -4.994 1.00 2.45 C ATOM 1143 CG LYS A 81 16.381 -3.255 -3.556 1.00 2.98 C ATOM 1144 CD LYS A 81 14.985 -2.671 -3.387 1.00 3.54 C ATOM 1145 CE LYS A 81 15.033 -1.200 -3.002 1.00 4.27 C ATOM 1146 NZ LYS A 81 13.716 -0.532 -3.182 1.00 4.40 N ATOM 0 H LYS A 81 15.290 -4.321 -6.970 1.00 2.47 H new ATOM 0 HA LYS A 81 17.146 -5.727 -5.515 1.00 2.30 H new ATOM 0 HB2 LYS A 81 17.700 -3.574 -5.214 1.00 2.45 H new ATOM 0 HB3 LYS A 81 16.093 -3.042 -5.668 1.00 2.45 H new ATOM 0 HG2 LYS A 81 16.503 -4.105 -2.884 1.00 2.98 H new ATOM 0 HG3 LYS A 81 17.123 -2.511 -3.267 1.00 2.98 H new ATOM 0 HD2 LYS A 81 14.428 -2.786 -4.317 1.00 3.54 H new ATOM 0 HD3 LYS A 81 14.447 -3.230 -2.622 1.00 3.54 H new ATOM 0 HE2 LYS A 81 15.347 -1.108 -1.962 1.00 4.27 H new ATOM 0 HE3 LYS A 81 15.783 -0.691 -3.608 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 13.820 0.269 -3.837 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 13.032 -1.212 -3.572 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 13.374 -0.185 -2.263 1.00 4.40 H new ATOM 1160 N GLU A 82 14.309 -5.480 -3.853 1.00 2.24 N ATOM 1161 CA GLU A 82 13.576 -6.030 -2.720 1.00 2.14 C ATOM 1162 C GLU A 82 13.619 -7.558 -2.732 1.00 1.94 C ATOM 1163 O GLU A 82 14.058 -8.184 -1.768 1.00 1.76 O ATOM 1164 CB GLU A 82 12.124 -5.536 -2.733 1.00 2.37 C ATOM 1165 CG GLU A 82 11.580 -5.238 -4.129 1.00 2.74 C ATOM 1166 CD GLU A 82 11.949 -3.852 -4.640 1.00 2.68 C ATOM 1167 OE1 GLU A 82 11.939 -2.893 -3.838 1.00 3.00 O ATOM 1168 OE2 GLU A 82 12.240 -3.724 -5.850 1.00 2.89 O ATOM 0 H GLU A 82 13.768 -4.842 -4.437 1.00 2.24 H new ATOM 0 HA GLU A 82 14.055 -5.684 -1.804 1.00 2.14 H new ATOM 0 HB2 GLU A 82 11.491 -6.288 -2.261 1.00 2.37 H new ATOM 0 HB3 GLU A 82 12.053 -4.633 -2.127 1.00 2.37 H new ATOM 0 HG2 GLU A 82 11.958 -5.986 -4.825 1.00 2.74 H new ATOM 0 HG3 GLU A 82 10.494 -5.335 -4.116 1.00 2.74 H new ATOM 1175 N GLU A 83 13.167 -8.150 -3.833 1.00 2.03 N ATOM 1176 CA GLU A 83 13.163 -9.602 -3.972 1.00 1.94 C ATOM 1177 C GLU A 83 14.565 -10.159 -3.735 1.00 1.73 C ATOM 1178 O GLU A 83 14.744 -11.137 -3.007 1.00 1.57 O ATOM 1179 CB GLU A 83 12.651 -9.996 -5.364 1.00 2.17 C ATOM 1180 CG GLU A 83 13.136 -11.357 -5.847 1.00 2.39 C ATOM 1181 CD GLU A 83 14.405 -11.267 -6.676 1.00 2.51 C ATOM 1182 OE1 GLU A 83 14.401 -10.543 -7.694 1.00 2.94 O ATOM 1183 OE2 GLU A 83 15.403 -11.922 -6.309 1.00 2.93 O ATOM 0 H GLU A 83 12.799 -7.647 -4.641 1.00 2.03 H new ATOM 0 HA GLU A 83 12.494 -10.028 -3.224 1.00 1.94 H new ATOM 0 HB2 GLU A 83 11.561 -9.995 -5.351 1.00 2.17 H new ATOM 0 HB3 GLU A 83 12.962 -9.237 -6.081 1.00 2.17 H new ATOM 0 HG2 GLU A 83 13.314 -12.001 -4.986 1.00 2.39 H new ATOM 0 HG3 GLU A 83 12.352 -11.828 -6.440 1.00 2.39 H new ATOM 1190 N ILE A 84 15.558 -9.525 -4.350 1.00 1.75 N ATOM 1191 CA ILE A 84 16.944 -9.951 -4.204 1.00 1.60 C ATOM 1192 C ILE A 84 17.364 -9.948 -2.737 1.00 1.38 C ATOM 1193 O ILE A 84 17.926 -10.926 -2.242 1.00 1.22 O ATOM 1194 CB ILE A 84 17.894 -9.045 -5.020 1.00 1.73 C ATOM 1195 CG1 ILE A 84 17.731 -9.327 -6.518 1.00 2.03 C ATOM 1196 CG2 ILE A 84 19.342 -9.246 -4.590 1.00 1.57 C ATOM 1197 CD1 ILE A 84 18.356 -8.276 -7.409 1.00 2.47 C ATOM 0 H ILE A 84 15.428 -8.714 -4.955 1.00 1.75 H new ATOM 0 HA ILE A 84 17.015 -10.968 -4.589 1.00 1.60 H new ATOM 0 HB ILE A 84 17.630 -8.005 -4.827 1.00 1.73 H new ATOM 0 HG12 ILE A 84 18.177 -10.295 -6.746 1.00 2.03 H new ATOM 0 HG13 ILE A 84 16.669 -9.402 -6.751 1.00 2.03 H new ATOM 0 HG21 ILE A 84 19.990 -8.597 -5.179 1.00 1.57 H new ATOM 0 HG22 ILE A 84 19.445 -8.999 -3.533 1.00 1.57 H new ATOM 0 HG23 ILE A 84 19.628 -10.286 -4.749 1.00 1.57 H new ATOM 0 HD11 ILE A 84 18.200 -8.545 -8.454 1.00 2.47 H new ATOM 0 HD12 ILE A 84 17.894 -7.309 -7.210 1.00 2.47 H new ATOM 0 HD13 ILE A 84 19.425 -8.216 -7.206 1.00 2.47 H new ATOM 1209 N GLN A 85 17.081 -8.848 -2.042 1.00 1.45 N ATOM 1210 CA GLN A 85 17.427 -8.729 -0.630 1.00 1.35 C ATOM 1211 C GLN A 85 16.826 -9.881 0.166 1.00 1.19 C ATOM 1212 O GLN A 85 17.496 -10.477 1.008 1.00 1.05 O ATOM 1213 CB GLN A 85 16.955 -7.384 -0.069 1.00 1.56 C ATOM 1214 CG GLN A 85 17.811 -6.206 -0.518 1.00 1.77 C ATOM 1215 CD GLN A 85 19.220 -6.250 0.047 1.00 2.36 C ATOM 1216 OE1 GLN A 85 19.580 -7.170 0.781 1.00 2.80 O ATOM 1217 NE2 GLN A 85 20.032 -5.258 -0.299 1.00 3.13 N ATOM 0 H GLN A 85 16.615 -8.030 -2.433 1.00 1.45 H new ATOM 0 HA GLN A 85 18.512 -8.776 -0.538 1.00 1.35 H new ATOM 0 HB2 GLN A 85 15.924 -7.212 -0.377 1.00 1.56 H new ATOM 0 HB3 GLN A 85 16.959 -7.432 1.020 1.00 1.56 H new ATOM 0 HG2 GLN A 85 17.862 -6.194 -1.607 1.00 1.77 H new ATOM 0 HG3 GLN A 85 17.331 -5.277 -0.211 1.00 1.77 H new ATOM 0 HE21 GLN A 85 19.696 -4.513 -0.910 1.00 3.13 H new ATOM 0 HE22 GLN A 85 20.992 -5.241 0.046 1.00 3.13 H new ATOM 1226 N GLN A 86 15.566 -10.204 -0.115 1.00 1.26 N ATOM 1227 CA GLN A 86 14.895 -11.304 0.568 1.00 1.18 C ATOM 1228 C GLN A 86 15.667 -12.600 0.348 1.00 1.03 C ATOM 1229 O GLN A 86 15.970 -13.326 1.295 1.00 0.90 O ATOM 1230 CB GLN A 86 13.455 -11.454 0.063 1.00 1.37 C ATOM 1231 CG GLN A 86 12.527 -12.140 1.054 1.00 1.47 C ATOM 1232 CD GLN A 86 12.873 -13.601 1.272 1.00 2.31 C ATOM 1233 OE1 GLN A 86 13.100 -14.034 2.401 1.00 2.90 O ATOM 1234 NE2 GLN A 86 12.915 -14.369 0.189 1.00 3.09 N ATOM 0 H GLN A 86 14.993 -9.722 -0.807 1.00 1.26 H new ATOM 0 HA GLN A 86 14.864 -11.085 1.635 1.00 1.18 H new ATOM 0 HB2 GLN A 86 13.057 -10.467 -0.170 1.00 1.37 H new ATOM 0 HB3 GLN A 86 13.463 -12.022 -0.867 1.00 1.37 H new ATOM 0 HG2 GLN A 86 12.571 -11.615 2.008 1.00 1.47 H new ATOM 0 HG3 GLN A 86 11.501 -12.064 0.695 1.00 1.47 H new ATOM 0 HE21 GLN A 86 12.720 -13.968 -0.728 1.00 3.09 H new ATOM 0 HE22 GLN A 86 13.142 -15.360 0.275 1.00 3.09 H new ATOM 1243 N ARG A 87 15.993 -12.876 -0.913 1.00 1.11 N ATOM 1244 CA ARG A 87 16.744 -14.076 -1.269 1.00 1.09 C ATOM 1245 C ARG A 87 18.085 -14.103 -0.539 1.00 0.91 C ATOM 1246 O ARG A 87 18.449 -15.101 0.083 1.00 0.87 O ATOM 1247 CB ARG A 87 16.972 -14.130 -2.783 1.00 1.29 C ATOM 1248 CG ARG A 87 16.087 -15.137 -3.503 1.00 1.78 C ATOM 1249 CD ARG A 87 16.234 -15.025 -5.013 1.00 2.22 C ATOM 1250 NE ARG A 87 17.588 -15.357 -5.457 1.00 2.81 N ATOM 1251 CZ ARG A 87 18.299 -14.623 -6.313 1.00 3.73 C ATOM 1252 NH1 ARG A 87 17.806 -13.495 -6.810 1.00 4.43 N ATOM 1253 NH2 ARG A 87 19.515 -15.014 -6.663 1.00 4.21 N ATOM 0 H ARG A 87 15.748 -12.283 -1.706 1.00 1.11 H new ATOM 0 HA ARG A 87 16.163 -14.948 -0.967 1.00 1.09 H new ATOM 0 HB2 ARG A 87 16.795 -13.140 -3.203 1.00 1.29 H new ATOM 0 HB3 ARG A 87 18.016 -14.376 -2.975 1.00 1.29 H new ATOM 0 HG2 ARG A 87 16.348 -16.146 -3.184 1.00 1.78 H new ATOM 0 HG3 ARG A 87 15.046 -14.974 -3.224 1.00 1.78 H new ATOM 0 HD2 ARG A 87 15.520 -15.691 -5.497 1.00 2.22 H new ATOM 0 HD3 ARG A 87 15.988 -14.011 -5.327 1.00 2.22 H new ATOM 0 HE ARG A 87 18.016 -16.206 -5.087 1.00 2.81 H new ATOM 0 HH11 ARG A 87 16.874 -13.182 -6.538 1.00 4.43 H new ATOM 0 HH12 ARG A 87 18.359 -12.941 -7.464 1.00 4.43 H new ATOM 0 HH21 ARG A 87 19.905 -15.874 -6.278 1.00 4.21 H new ATOM 0 HH22 ARG A 87 20.062 -14.455 -7.318 1.00 4.21 H new ATOM 1267 N LEU A 88 18.821 -12.997 -0.627 1.00 0.87 N ATOM 1268 CA LEU A 88 20.119 -12.887 0.023 1.00 0.78 C ATOM 1269 C LEU A 88 19.997 -13.185 1.514 1.00 0.71 C ATOM 1270 O LEU A 88 20.825 -13.895 2.081 1.00 0.67 O ATOM 1271 CB LEU A 88 20.709 -11.487 -0.192 1.00 0.86 C ATOM 1272 CG LEU A 88 21.627 -10.977 0.929 1.00 1.04 C ATOM 1273 CD1 LEU A 88 22.898 -10.373 0.351 1.00 1.15 C ATOM 1274 CD2 LEU A 88 20.899 -9.963 1.803 1.00 1.90 C ATOM 0 H LEU A 88 18.537 -12.165 -1.144 1.00 0.87 H new ATOM 0 HA LEU A 88 20.790 -13.620 -0.424 1.00 0.78 H new ATOM 0 HB2 LEU A 88 21.271 -11.488 -1.126 1.00 0.86 H new ATOM 0 HB3 LEU A 88 19.888 -10.781 -0.315 1.00 0.86 H new ATOM 0 HG LEU A 88 21.906 -11.826 1.553 1.00 1.04 H new ATOM 0 HD11 LEU A 88 23.534 -10.018 1.162 1.00 1.15 H new ATOM 0 HD12 LEU A 88 23.432 -11.130 -0.224 1.00 1.15 H new ATOM 0 HD13 LEU A 88 22.640 -9.538 -0.300 1.00 1.15 H new ATOM 0 HD21 LEU A 88 21.568 -9.615 2.590 1.00 1.90 H new ATOM 0 HD22 LEU A 88 20.585 -9.116 1.193 1.00 1.90 H new ATOM 0 HD23 LEU A 88 20.023 -10.432 2.252 1.00 1.90 H new ATOM 1286 N ALA A 89 18.959 -12.641 2.145 1.00 0.77 N ATOM 1287 CA ALA A 89 18.739 -12.858 3.569 1.00 0.81 C ATOM 1288 C ALA A 89 18.658 -14.345 3.873 1.00 0.74 C ATOM 1289 O ALA A 89 19.232 -14.820 4.853 1.00 0.77 O ATOM 1290 CB ALA A 89 17.475 -12.146 4.029 1.00 0.97 C ATOM 0 H ALA A 89 18.261 -12.050 1.694 1.00 0.77 H new ATOM 0 HA ALA A 89 19.584 -12.441 4.117 1.00 0.81 H new ATOM 0 HB1 ALA A 89 17.327 -12.319 5.095 1.00 0.97 H new ATOM 0 HB2 ALA A 89 17.573 -11.076 3.846 1.00 0.97 H new ATOM 0 HB3 ALA A 89 16.618 -12.532 3.476 1.00 0.97 H new ATOM 1296 N GLN A 90 17.954 -15.077 3.016 1.00 0.73 N ATOM 1297 CA GLN A 90 17.812 -16.518 3.182 1.00 0.79 C ATOM 1298 C GLN A 90 19.179 -17.184 3.109 1.00 0.73 C ATOM 1299 O GLN A 90 19.531 -18.010 3.951 1.00 0.79 O ATOM 1300 CB GLN A 90 16.886 -17.096 2.106 1.00 0.90 C ATOM 1301 CG GLN A 90 15.798 -18.005 2.657 1.00 1.35 C ATOM 1302 CD GLN A 90 15.009 -18.694 1.560 1.00 1.96 C ATOM 1303 OE1 GLN A 90 13.991 -18.181 1.095 1.00 2.38 O ATOM 1304 NE2 GLN A 90 15.477 -19.862 1.140 1.00 2.72 N ATOM 0 H GLN A 90 17.474 -14.696 2.201 1.00 0.73 H new ATOM 0 HA GLN A 90 17.370 -16.715 4.159 1.00 0.79 H new ATOM 0 HB2 GLN A 90 16.419 -16.275 1.562 1.00 0.90 H new ATOM 0 HB3 GLN A 90 17.484 -17.655 1.387 1.00 0.90 H new ATOM 0 HG2 GLN A 90 16.250 -18.758 3.303 1.00 1.35 H new ATOM 0 HG3 GLN A 90 15.119 -17.420 3.276 1.00 1.35 H new ATOM 0 HE21 GLN A 90 16.325 -20.250 1.554 1.00 2.72 H new ATOM 0 HE22 GLN A 90 14.989 -20.372 0.403 1.00 2.72 H new ATOM 1313 N PHE A 91 19.949 -16.811 2.092 1.00 0.66 N ATOM 1314 CA PHE A 91 21.284 -17.362 1.900 1.00 0.67 C ATOM 1315 C PHE A 91 22.108 -17.211 3.171 1.00 0.67 C ATOM 1316 O PHE A 91 22.692 -18.176 3.658 1.00 0.74 O ATOM 1317 CB PHE A 91 21.982 -16.664 0.727 1.00 0.65 C ATOM 1318 CG PHE A 91 23.368 -17.171 0.450 1.00 0.66 C ATOM 1319 CD1 PHE A 91 23.554 -18.297 -0.332 1.00 0.93 C ATOM 1320 CD2 PHE A 91 24.486 -16.522 0.958 1.00 1.03 C ATOM 1321 CE1 PHE A 91 24.822 -18.765 -0.601 1.00 0.92 C ATOM 1322 CE2 PHE A 91 25.750 -16.989 0.689 1.00 1.19 C ATOM 1323 CZ PHE A 91 25.920 -18.108 -0.090 1.00 0.90 C ATOM 0 H PHE A 91 19.670 -16.128 1.387 1.00 0.66 H new ATOM 0 HA PHE A 91 21.193 -18.424 1.671 1.00 0.67 H new ATOM 0 HB2 PHE A 91 21.375 -16.789 -0.170 1.00 0.65 H new ATOM 0 HB3 PHE A 91 22.032 -15.595 0.932 1.00 0.65 H new ATOM 0 HD1 PHE A 91 22.697 -18.815 -0.736 1.00 0.93 H new ATOM 0 HD2 PHE A 91 24.361 -15.641 1.571 1.00 1.03 H new ATOM 0 HE1 PHE A 91 24.955 -19.646 -1.212 1.00 0.92 H new ATOM 0 HE2 PHE A 91 26.611 -16.476 1.091 1.00 1.19 H new ATOM 0 HZ PHE A 91 26.914 -18.473 -0.302 1.00 0.90 H new ATOM 1333 N VAL A 92 22.139 -15.999 3.717 1.00 0.64 N ATOM 1334 CA VAL A 92 22.885 -15.743 4.940 1.00 0.72 C ATOM 1335 C VAL A 92 22.435 -16.693 6.044 1.00 0.77 C ATOM 1336 O VAL A 92 23.255 -17.385 6.649 1.00 0.86 O ATOM 1337 CB VAL A 92 22.718 -14.287 5.421 1.00 0.77 C ATOM 1338 CG1 VAL A 92 23.587 -14.019 6.643 1.00 0.86 C ATOM 1339 CG2 VAL A 92 23.049 -13.311 4.301 1.00 1.37 C ATOM 0 H VAL A 92 21.659 -15.185 3.333 1.00 0.64 H new ATOM 0 HA VAL A 92 23.938 -15.910 4.715 1.00 0.72 H new ATOM 0 HB VAL A 92 21.676 -14.140 5.706 1.00 0.77 H new ATOM 0 HG11 VAL A 92 23.453 -12.986 6.965 1.00 0.86 H new ATOM 0 HG12 VAL A 92 23.297 -14.691 7.450 1.00 0.86 H new ATOM 0 HG13 VAL A 92 24.634 -14.187 6.389 1.00 0.86 H new ATOM 0 HG21 VAL A 92 22.925 -12.289 4.660 1.00 1.37 H new ATOM 0 HG22 VAL A 92 24.080 -13.461 3.981 1.00 1.37 H new ATOM 0 HG23 VAL A 92 22.379 -13.483 3.459 1.00 1.37 H new ATOM 1349 N ASP A 93 21.125 -16.735 6.289 1.00 0.77 N ATOM 1350 CA ASP A 93 20.568 -17.617 7.313 1.00 0.86 C ATOM 1351 C ASP A 93 21.106 -19.027 7.137 1.00 0.91 C ATOM 1352 O ASP A 93 21.664 -19.610 8.066 1.00 1.00 O ATOM 1353 CB ASP A 93 19.036 -17.625 7.259 1.00 0.90 C ATOM 1354 CG ASP A 93 18.456 -19.027 7.274 1.00 1.10 C ATOM 1355 OD1 ASP A 93 19.129 -19.954 6.773 1.00 1.71 O ATOM 1356 OD2 ASP A 93 17.329 -19.200 7.785 1.00 1.55 O ATOM 0 H ASP A 93 20.433 -16.171 5.795 1.00 0.77 H new ATOM 0 HA ASP A 93 20.871 -17.239 8.289 1.00 0.86 H new ATOM 0 HB2 ASP A 93 18.644 -17.065 8.108 1.00 0.90 H new ATOM 0 HB3 ASP A 93 18.706 -17.109 6.357 1.00 0.90 H new ATOM 1361 N HIS A 94 20.969 -19.561 5.929 1.00 0.89 N ATOM 1362 CA HIS A 94 21.469 -20.895 5.636 1.00 0.98 C ATOM 1363 C HIS A 94 22.942 -20.983 5.997 1.00 1.00 C ATOM 1364 O HIS A 94 23.344 -21.818 6.802 1.00 1.12 O ATOM 1365 CB HIS A 94 21.288 -21.218 4.155 1.00 1.00 C ATOM 1366 CG HIS A 94 19.869 -21.133 3.684 1.00 1.35 C ATOM 1367 ND1 HIS A 94 18.777 -21.384 4.486 1.00 2.17 N ATOM 1368 CD2 HIS A 94 19.370 -20.820 2.460 1.00 1.73 C ATOM 1369 CE1 HIS A 94 17.675 -21.222 3.741 1.00 2.46 C ATOM 1370 NE2 HIS A 94 17.979 -20.878 2.505 1.00 2.14 N ATOM 0 H HIS A 94 20.519 -19.093 5.143 1.00 0.89 H new ATOM 0 HA HIS A 94 20.904 -21.616 6.227 1.00 0.98 H new ATOM 0 HB2 HIS A 94 21.897 -20.532 3.567 1.00 1.00 H new ATOM 0 HB3 HIS A 94 21.664 -22.223 3.964 1.00 1.00 H new ATOM 0 HD1 HIS A 94 18.803 -21.646 5.471 1.00 2.17 H new ATOM 0 HD2 HIS A 94 19.958 -20.567 1.590 1.00 1.73 H new ATOM 0 HE1 HIS A 94 16.667 -21.356 4.106 1.00 2.46 H new ATOM 1378 N TRP A 95 23.739 -20.099 5.403 1.00 0.93 N ATOM 1379 CA TRP A 95 25.170 -20.071 5.657 1.00 1.00 C ATOM 1380 C TRP A 95 25.475 -20.198 7.141 1.00 1.06 C ATOM 1381 O TRP A 95 26.378 -20.931 7.528 1.00 1.16 O ATOM 1382 CB TRP A 95 25.799 -18.791 5.114 1.00 0.97 C ATOM 1383 CG TRP A 95 27.286 -18.901 4.986 1.00 1.09 C ATOM 1384 CD1 TRP A 95 27.976 -19.962 4.486 1.00 2.01 C ATOM 1385 CD2 TRP A 95 28.264 -17.931 5.370 1.00 1.04 C ATOM 1386 NE1 TRP A 95 29.320 -19.717 4.548 1.00 1.88 N ATOM 1387 CE2 TRP A 95 29.521 -18.473 5.077 1.00 1.04 C ATOM 1388 CE3 TRP A 95 28.197 -16.659 5.929 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 30.703 -17.789 5.327 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 29.370 -15.975 6.179 1.00 2.64 C ATOM 1391 CH2 TRP A 95 30.610 -16.542 5.878 1.00 2.05 C ATOM 0 H TRP A 95 23.414 -19.393 4.742 1.00 0.93 H new ATOM 0 HA TRP A 95 25.602 -20.927 5.139 1.00 1.00 H new ATOM 0 HB2 TRP A 95 25.368 -18.562 4.139 1.00 0.97 H new ATOM 0 HB3 TRP A 95 25.554 -17.959 5.774 1.00 0.97 H new ATOM 0 HD1 TRP A 95 27.528 -20.865 4.097 1.00 2.01 H new ATOM 0 HE1 TRP A 95 30.054 -20.359 4.248 1.00 1.88 H new ATOM 0 HE3 TRP A 95 27.242 -16.213 6.164 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 31.662 -18.227 5.094 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 29.328 -14.987 6.614 1.00 2.64 H new ATOM 0 HH2 TRP A 95 31.512 -15.985 6.084 1.00 2.05 H new ATOM 1402 N LYS A 96 24.725 -19.479 7.970 1.00 1.03 N ATOM 1403 CA LYS A 96 24.940 -19.535 9.413 1.00 1.12 C ATOM 1404 C LYS A 96 24.911 -20.977 9.909 1.00 1.21 C ATOM 1405 O LYS A 96 25.839 -21.430 10.579 1.00 1.32 O ATOM 1406 CB LYS A 96 23.892 -18.708 10.167 1.00 1.12 C ATOM 1407 CG LYS A 96 23.635 -17.337 9.560 1.00 1.49 C ATOM 1408 CD LYS A 96 23.255 -16.309 10.621 1.00 1.83 C ATOM 1409 CE LYS A 96 21.773 -15.971 10.572 1.00 2.36 C ATOM 1410 NZ LYS A 96 21.440 -15.098 9.413 1.00 2.86 N ATOM 0 H LYS A 96 23.972 -18.858 7.673 1.00 1.03 H new ATOM 0 HA LYS A 96 25.924 -19.109 9.611 1.00 1.12 H new ATOM 0 HB2 LYS A 96 22.955 -19.264 10.193 1.00 1.12 H new ATOM 0 HB3 LYS A 96 24.217 -18.582 11.200 1.00 1.12 H new ATOM 0 HG2 LYS A 96 24.527 -17.001 9.031 1.00 1.49 H new ATOM 0 HG3 LYS A 96 22.836 -17.410 8.822 1.00 1.49 H new ATOM 0 HD2 LYS A 96 23.508 -16.695 11.609 1.00 1.83 H new ATOM 0 HD3 LYS A 96 23.840 -15.401 10.474 1.00 1.83 H new ATOM 0 HE2 LYS A 96 21.193 -16.892 10.511 1.00 2.36 H new ATOM 0 HE3 LYS A 96 21.484 -15.472 11.497 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 20.408 -14.988 9.347 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 21.880 -14.165 9.543 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 21.799 -15.531 8.538 1.00 2.86 H new ATOM 1424 N GLU A 97 23.839 -21.694 9.584 1.00 1.20 N ATOM 1425 CA GLU A 97 23.698 -23.082 10.010 1.00 1.32 C ATOM 1426 C GLU A 97 24.882 -23.926 9.537 1.00 1.36 C ATOM 1427 O GLU A 97 25.418 -24.737 10.291 1.00 1.47 O ATOM 1428 CB GLU A 97 22.368 -23.667 9.503 1.00 1.36 C ATOM 1429 CG GLU A 97 22.435 -24.302 8.118 1.00 1.86 C ATOM 1430 CD GLU A 97 21.157 -24.120 7.314 1.00 2.35 C ATOM 1431 OE1 GLU A 97 20.066 -24.107 7.921 1.00 2.68 O ATOM 1432 OE2 GLU A 97 21.249 -23.989 6.076 1.00 3.03 O ATOM 0 H GLU A 97 23.060 -21.339 9.030 1.00 1.20 H new ATOM 0 HA GLU A 97 23.690 -23.105 11.100 1.00 1.32 H new ATOM 0 HB2 GLU A 97 22.022 -24.417 10.215 1.00 1.36 H new ATOM 0 HB3 GLU A 97 21.621 -22.874 9.488 1.00 1.36 H new ATOM 0 HG2 GLU A 97 23.269 -23.868 7.566 1.00 1.86 H new ATOM 0 HG3 GLU A 97 22.642 -25.367 8.223 1.00 1.86 H new ATOM 1439 N LEU A 98 25.286 -23.729 8.285 1.00 1.31 N ATOM 1440 CA LEU A 98 26.402 -24.476 7.715 1.00 1.37 C ATOM 1441 C LEU A 98 27.693 -24.185 8.472 1.00 1.42 C ATOM 1442 O LEU A 98 28.440 -25.101 8.820 1.00 1.54 O ATOM 1443 CB LEU A 98 26.567 -24.143 6.228 1.00 1.31 C ATOM 1444 CG LEU A 98 25.609 -24.891 5.291 1.00 1.61 C ATOM 1445 CD1 LEU A 98 24.504 -23.969 4.795 1.00 2.38 C ATOM 1446 CD2 LEU A 98 26.366 -25.496 4.119 1.00 2.07 C ATOM 0 H LEU A 98 24.857 -23.059 7.647 1.00 1.31 H new ATOM 0 HA LEU A 98 26.183 -25.539 7.811 1.00 1.37 H new ATOM 0 HB2 LEU A 98 26.423 -23.071 6.092 1.00 1.31 H new ATOM 0 HB3 LEU A 98 27.592 -24.367 5.931 1.00 1.31 H new ATOM 0 HG LEU A 98 25.148 -25.700 5.857 1.00 1.61 H new ATOM 0 HD11 LEU A 98 23.838 -24.522 4.133 1.00 2.38 H new ATOM 0 HD12 LEU A 98 23.937 -23.590 5.645 1.00 2.38 H new ATOM 0 HD13 LEU A 98 24.944 -23.133 4.251 1.00 2.38 H new ATOM 0 HD21 LEU A 98 25.668 -26.022 3.467 1.00 2.07 H new ATOM 0 HD22 LEU A 98 26.860 -24.704 3.557 1.00 2.07 H new ATOM 0 HD23 LEU A 98 27.113 -26.197 4.491 1.00 2.07 H new ATOM 1458 N LYS A 99 27.946 -22.906 8.739 1.00 1.38 N ATOM 1459 CA LYS A 99 29.143 -22.503 9.464 1.00 1.47 C ATOM 1460 C LYS A 99 29.161 -23.171 10.835 1.00 1.60 C ATOM 1461 O LYS A 99 30.179 -23.724 11.255 1.00 1.74 O ATOM 1462 CB LYS A 99 29.203 -20.974 9.593 1.00 1.45 C ATOM 1463 CG LYS A 99 30.535 -20.372 9.167 1.00 1.90 C ATOM 1464 CD LYS A 99 30.955 -19.227 10.077 1.00 2.41 C ATOM 1465 CE LYS A 99 32.090 -18.417 9.468 1.00 3.14 C ATOM 1466 NZ LYS A 99 31.621 -17.545 8.355 1.00 4.07 N ATOM 0 H LYS A 99 27.338 -22.134 8.464 1.00 1.38 H new ATOM 0 HA LYS A 99 30.025 -22.824 8.909 1.00 1.47 H new ATOM 0 HB2 LYS A 99 28.408 -20.537 8.989 1.00 1.45 H new ATOM 0 HB3 LYS A 99 29.005 -20.698 10.629 1.00 1.45 H new ATOM 0 HG2 LYS A 99 31.303 -21.145 9.178 1.00 1.90 H new ATOM 0 HG3 LYS A 99 30.459 -20.012 8.141 1.00 1.90 H new ATOM 0 HD2 LYS A 99 30.101 -18.576 10.262 1.00 2.41 H new ATOM 0 HD3 LYS A 99 31.268 -19.624 11.043 1.00 2.41 H new ATOM 0 HE2 LYS A 99 32.551 -17.802 10.241 1.00 3.14 H new ATOM 0 HE3 LYS A 99 32.860 -19.094 9.098 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 32.412 -16.962 8.014 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 31.266 -18.136 7.577 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 30.857 -16.927 8.696 1.00 4.07 H new ATOM 1480 N GLN A 100 28.015 -23.147 11.515 1.00 1.58 N ATOM 1481 CA GLN A 100 27.891 -23.777 12.824 1.00 1.72 C ATOM 1482 C GLN A 100 28.251 -25.256 12.723 1.00 1.81 C ATOM 1483 O GLN A 100 29.130 -25.740 13.436 1.00 1.95 O ATOM 1484 CB GLN A 100 26.467 -23.613 13.366 1.00 1.71 C ATOM 1485 CG GLN A 100 26.228 -24.325 14.691 1.00 1.93 C ATOM 1486 CD GLN A 100 25.713 -25.740 14.509 1.00 2.66 C ATOM 1487 OE1 GLN A 100 26.606 -26.716 14.624 1.00 3.23 O flip ATOM 1488 NE2 GLN A 100 24.524 -25.954 14.269 1.00 3.33 N flip ATOM 0 H GLN A 100 27.162 -22.698 11.180 1.00 1.58 H new ATOM 0 HA GLN A 100 28.579 -23.290 13.515 1.00 1.72 H new ATOM 0 HB2 GLN A 100 26.256 -22.551 13.492 1.00 1.71 H new ATOM 0 HB3 GLN A 100 25.761 -23.993 12.627 1.00 1.71 H new ATOM 0 HG2 GLN A 100 27.159 -24.351 15.258 1.00 1.93 H new ATOM 0 HG3 GLN A 100 25.511 -23.755 15.281 1.00 1.93 H new ATOM 0 HE21 GLN A 100 23.872 -25.174 14.189 1.00 3.33 H new ATOM 0 HE22 GLN A 100 24.192 -26.911 14.150 1.00 3.33 H new ATOM 1497 N LEU A 101 27.570 -25.968 11.824 1.00 1.77 N ATOM 1498 CA LEU A 101 27.828 -27.390 11.618 1.00 1.89 C ATOM 1499 C LEU A 101 29.327 -27.648 11.488 1.00 1.96 C ATOM 1500 O LEU A 101 29.873 -28.528 12.152 1.00 2.12 O ATOM 1501 CB LEU A 101 27.094 -27.893 10.368 1.00 1.86 C ATOM 1502 CG LEU A 101 25.799 -28.667 10.638 1.00 2.09 C ATOM 1503 CD1 LEU A 101 26.102 -30.016 11.278 1.00 2.56 C ATOM 1504 CD2 LEU A 101 24.858 -27.856 11.519 1.00 2.59 C ATOM 0 H LEU A 101 26.837 -25.582 11.229 1.00 1.77 H new ATOM 0 HA LEU A 101 27.455 -27.935 12.485 1.00 1.89 H new ATOM 0 HB2 LEU A 101 26.861 -27.037 9.734 1.00 1.86 H new ATOM 0 HB3 LEU A 101 27.770 -28.534 9.803 1.00 1.86 H new ATOM 0 HG LEU A 101 25.304 -28.844 9.683 1.00 2.09 H new ATOM 0 HD11 LEU A 101 25.169 -30.549 11.461 1.00 2.56 H new ATOM 0 HD12 LEU A 101 26.730 -30.603 10.609 1.00 2.56 H new ATOM 0 HD13 LEU A 101 26.623 -29.862 12.223 1.00 2.56 H new ATOM 0 HD21 LEU A 101 23.946 -28.425 11.697 1.00 2.59 H new ATOM 0 HD22 LEU A 101 25.344 -27.642 12.471 1.00 2.59 H new ATOM 0 HD23 LEU A 101 24.610 -26.919 11.020 1.00 2.59 H new ATOM 1516 N ALA A 102 29.991 -26.867 10.635 1.00 1.86 N ATOM 1517 CA ALA A 102 31.430 -27.009 10.432 1.00 1.95 C ATOM 1518 C ALA A 102 32.161 -27.017 11.770 1.00 2.09 C ATOM 1519 O ALA A 102 32.949 -27.921 12.057 1.00 2.24 O ATOM 1520 CB ALA A 102 31.953 -25.888 9.544 1.00 1.85 C ATOM 0 H ALA A 102 29.556 -26.133 10.076 1.00 1.86 H new ATOM 0 HA ALA A 102 31.617 -27.960 9.934 1.00 1.95 H new ATOM 0 HB1 ALA A 102 33.027 -26.007 9.402 1.00 1.85 H new ATOM 0 HB2 ALA A 102 31.452 -25.927 8.577 1.00 1.85 H new ATOM 0 HB3 ALA A 102 31.754 -24.926 10.017 1.00 1.85 H new ATOM 1526 N ALA A 103 31.888 -26.005 12.592 1.00 2.07 N ATOM 1527 CA ALA A 103 32.509 -25.896 13.905 1.00 2.24 C ATOM 1528 C ALA A 103 32.306 -27.181 14.700 1.00 2.38 C ATOM 1529 O ALA A 103 33.252 -27.732 15.265 1.00 2.56 O ATOM 1530 CB ALA A 103 31.945 -24.703 14.665 1.00 2.21 C ATOM 0 H ALA A 103 31.240 -25.250 12.369 1.00 2.07 H new ATOM 0 HA ALA A 103 33.579 -25.741 13.768 1.00 2.24 H new ATOM 0 HB1 ALA A 103 32.420 -24.637 15.644 1.00 2.21 H new ATOM 0 HB2 ALA A 103 32.141 -23.789 14.104 1.00 2.21 H new ATOM 0 HB3 ALA A 103 30.870 -24.828 14.792 1.00 2.21 H new ATOM 1536 N ALA A 104 31.062 -27.656 14.733 1.00 2.34 N ATOM 1537 CA ALA A 104 30.730 -28.883 15.449 1.00 2.50 C ATOM 1538 C ALA A 104 31.651 -30.017 15.017 1.00 2.58 C ATOM 1539 O ALA A 104 32.203 -30.735 15.852 1.00 2.74 O ATOM 1540 CB ALA A 104 29.273 -29.256 15.213 1.00 2.48 C ATOM 0 H ALA A 104 30.269 -27.209 14.272 1.00 2.34 H new ATOM 0 HA ALA A 104 30.873 -28.713 16.516 1.00 2.50 H new ATOM 0 HB1 ALA A 104 29.040 -30.173 15.753 1.00 2.48 H new ATOM 0 HB2 ALA A 104 28.629 -28.452 15.569 1.00 2.48 H new ATOM 0 HB3 ALA A 104 29.105 -29.410 14.147 1.00 2.48 H new ATOM 1546 N ARG A 105 31.824 -30.161 13.706 1.00 2.50 N ATOM 1547 CA ARG A 105 32.692 -31.199 13.156 1.00 2.60 C ATOM 1548 C ARG A 105 34.072 -31.128 13.803 1.00 2.72 C ATOM 1549 O ARG A 105 34.594 -32.132 14.289 1.00 2.88 O ATOM 1550 CB ARG A 105 32.816 -31.043 11.635 1.00 2.49 C ATOM 1551 CG ARG A 105 32.628 -32.345 10.869 1.00 2.62 C ATOM 1552 CD ARG A 105 31.158 -32.724 10.759 1.00 2.76 C ATOM 1553 NE ARG A 105 30.856 -33.977 11.450 1.00 3.19 N ATOM 1554 CZ ARG A 105 31.184 -35.178 10.983 1.00 3.86 C ATOM 1555 NH1 ARG A 105 31.850 -35.290 9.842 1.00 4.39 N ATOM 1556 NH2 ARG A 105 30.853 -36.269 11.660 1.00 4.42 N ATOM 0 H ARG A 105 31.375 -29.572 13.005 1.00 2.50 H new ATOM 0 HA ARG A 105 32.249 -32.171 13.372 1.00 2.60 H new ATOM 0 HB2 ARG A 105 32.077 -30.320 11.291 1.00 2.49 H new ATOM 0 HB3 ARG A 105 33.798 -30.632 11.400 1.00 2.49 H new ATOM 0 HG2 ARG A 105 33.054 -32.245 9.871 1.00 2.62 H new ATOM 0 HG3 ARG A 105 33.174 -33.144 11.370 1.00 2.62 H new ATOM 0 HD2 ARG A 105 30.546 -31.924 11.177 1.00 2.76 H new ATOM 0 HD3 ARG A 105 30.886 -32.817 9.707 1.00 2.76 H new ATOM 0 HE ARG A 105 30.365 -33.927 12.343 1.00 3.19 H new ATOM 0 HH11 ARG A 105 32.112 -34.454 9.320 1.00 4.39 H new ATOM 0 HH12 ARG A 105 32.100 -36.213 9.486 1.00 4.39 H new ATOM 0 HH21 ARG A 105 30.346 -36.188 12.541 1.00 4.42 H new ATOM 0 HH22 ARG A 105 31.106 -37.189 11.300 1.00 4.42 H new ATOM 1570 N GLY A 106 34.649 -29.927 13.812 1.00 2.67 N ATOM 1571 CA GLY A 106 35.958 -29.731 14.411 1.00 2.83 C ATOM 1572 C GLY A 106 36.011 -30.222 15.847 1.00 3.06 C ATOM 1573 O GLY A 106 36.989 -30.847 16.258 1.00 3.27 O ATOM 0 H GLY A 106 34.231 -29.086 13.414 1.00 2.67 H new ATOM 0 HA2 GLY A 106 36.708 -30.257 13.821 1.00 2.83 H new ATOM 0 HA3 GLY A 106 36.214 -28.672 14.381 1.00 2.83 H new ATOM 1577 N GLN A 107 34.952 -29.945 16.603 1.00 3.06 N ATOM 1578 CA GLN A 107 34.873 -30.370 17.999 1.00 3.32 C ATOM 1579 C GLN A 107 34.634 -31.875 18.089 1.00 3.48 C ATOM 1580 O GLN A 107 34.985 -32.509 19.085 1.00 3.75 O ATOM 1581 CB GLN A 107 33.751 -29.620 18.724 1.00 3.32 C ATOM 1582 CG GLN A 107 34.102 -28.181 19.077 1.00 3.59 C ATOM 1583 CD GLN A 107 33.537 -27.180 18.088 1.00 3.56 C ATOM 1584 OE1 GLN A 107 32.336 -27.164 17.821 1.00 3.65 O ATOM 1585 NE2 GLN A 107 34.403 -26.336 17.537 1.00 4.07 N ATOM 0 H GLN A 107 34.137 -29.428 16.273 1.00 3.06 H new ATOM 0 HA GLN A 107 35.823 -30.136 18.480 1.00 3.32 H new ATOM 0 HB2 GLN A 107 32.860 -29.623 18.096 1.00 3.32 H new ATOM 0 HB3 GLN A 107 33.499 -30.157 19.638 1.00 3.32 H new ATOM 0 HG2 GLN A 107 33.724 -27.953 20.074 1.00 3.59 H new ATOM 0 HG3 GLN A 107 35.186 -28.075 19.115 1.00 3.59 H new ATOM 0 HE21 GLN A 107 35.391 -26.384 17.787 1.00 4.07 H new ATOM 0 HE22 GLN A 107 34.080 -25.641 16.864 1.00 4.07 H new