USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 793 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 86 GLN : amide:sc= 1.28 K(o=1.6,f=-7.7!) USER MOD Set 1.2: A 90 GLN : amide:sc= 0.327 K(o=1.6,f=-6.5!) USER MOD Set 2.1: A 44 ASN : amide:sc= -3.48! C(o=-2.3!,f=-3.2!) USER MOD Set 2.2: A 47 LYS NZ :NH3+ -150:sc= 1.19 (180deg=0.562) USER MOD Set 3.1: A 21 SER OG : rot 180:sc= 0.769 USER MOD Set 3.2: A 24 LYS NZ :NH3+ 145:sc= 0.539 (180deg=-0.522) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0.426 K(o=0.43,f=-5!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -110:sc= -0.716! (180deg=-1.13!) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0225) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -59:sc= 1.25 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 43 GLN : amide:sc=-0.00177 X(o=-0.0018,f=-0.46) USER MOD Single : A 48 LYS NZ :NH3+ -132:sc= 0.933 (180deg=-0.0237) USER MOD Single : A 49 HIS : no HD1:sc= -0.807 K(o=-0.81,f=-2.6!) USER MOD Single : A 50 LYS NZ :NH3+ 136:sc= -2.35 (180deg=-4.59!) USER MOD Single : A 59 HIS : no HE2:sc= -19.7! C(o=-20!,f=-26!) USER MOD Single : A 64 GLN :FLIP amide:sc= -1.2 F(o=-2.5,f=-1.2) USER MOD Single : A 69 THR OG1 : rot 71:sc= 0.486 USER MOD Single : A 71 LYS NZ :NH3+ 152:sc= -0.227 (180deg=-1.67!) USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= 0.0387 (180deg=-1.17) USER MOD Single : A 74 SER OG : rot 75:sc= 0.468 USER MOD Single : A 77 ASN : amide:sc= -0.958 K(o=-0.96,f=-8.7!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 81 LYS NZ :NH3+ -110:sc= -0.328 (180deg=-2.5!) USER MOD Single : A 85 GLN : amide:sc= -0.0175 X(o=-0.017,f=-0.38) USER MOD Single : A 94 HIS : no HE2:sc= 1.05 K(o=1.1,f=-6.4!) USER MOD Single : A 96 LYS NZ :NH3+ 163:sc= -0.754 (180deg=-1.42) USER MOD Single : A 99 LYS NZ :NH3+ 142:sc= 0.18 (180deg=-1.01) USER MOD Single : A 100 GLN : amide:sc= -1.68 K(o=-1.7,f=-3) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 19.930 -8.801 -14.038 1.00 1.70 N ATOM 2 CA HIS A 10 20.177 -9.944 -14.915 1.00 1.73 C ATOM 3 C HIS A 10 21.389 -10.750 -14.455 1.00 1.58 C ATOM 4 O HIS A 10 21.271 -11.937 -14.151 1.00 1.52 O ATOM 5 CB HIS A 10 20.376 -9.475 -16.360 1.00 2.04 C ATOM 6 CG HIS A 10 20.943 -10.529 -17.261 1.00 2.54 C ATOM 7 ND1 HIS A 10 20.350 -11.754 -17.479 1.00 3.19 N ATOM 8 CD2 HIS A 10 22.078 -10.526 -18.005 1.00 3.29 C ATOM 9 CE1 HIS A 10 21.126 -12.441 -18.328 1.00 4.01 C ATOM 10 NE2 HIS A 10 22.188 -11.740 -18.678 1.00 4.11 N ATOM 0 HA HIS A 10 19.302 -10.593 -14.867 1.00 1.73 H new ATOM 0 HB2 HIS A 10 19.418 -9.144 -16.761 1.00 2.04 H new ATOM 0 HB3 HIS A 10 21.039 -8.610 -16.364 1.00 2.04 H new ATOM 0 HD2 HIS A 10 22.784 -9.711 -18.065 1.00 3.29 H new ATOM 0 HE1 HIS A 10 20.910 -13.439 -18.680 1.00 4.01 H new ATOM 0 HE2 HIS A 10 22.935 -12.028 -19.310 1.00 4.11 H new ATOM 18 N GLN A 11 22.555 -10.111 -14.408 1.00 1.60 N ATOM 19 CA GLN A 11 23.765 -10.801 -13.979 1.00 1.56 C ATOM 20 C GLN A 11 23.596 -11.305 -12.559 1.00 1.29 C ATOM 21 O GLN A 11 23.845 -12.473 -12.272 1.00 1.26 O ATOM 22 CB GLN A 11 24.990 -9.890 -14.064 1.00 1.75 C ATOM 23 CG GLN A 11 25.514 -9.700 -15.482 1.00 2.28 C ATOM 24 CD GLN A 11 24.868 -8.530 -16.203 1.00 3.08 C ATOM 25 OE1 GLN A 11 23.897 -7.946 -15.722 1.00 3.64 O ATOM 26 NE2 GLN A 11 25.407 -8.180 -17.364 1.00 3.73 N ATOM 0 H GLN A 11 22.686 -9.131 -14.658 1.00 1.60 H new ATOM 0 HA GLN A 11 23.926 -11.644 -14.650 1.00 1.56 H new ATOM 0 HB2 GLN A 11 24.737 -8.916 -13.646 1.00 1.75 H new ATOM 0 HB3 GLN A 11 25.785 -10.306 -13.445 1.00 1.75 H new ATOM 0 HG2 GLN A 11 26.593 -9.547 -15.447 1.00 2.28 H new ATOM 0 HG3 GLN A 11 25.340 -10.612 -16.053 1.00 2.28 H new ATOM 0 HE21 GLN A 11 26.212 -8.691 -17.727 1.00 3.73 H new ATOM 0 HE22 GLN A 11 25.017 -7.400 -17.893 1.00 3.73 H new ATOM 35 N PHE A 12 23.149 -10.428 -11.665 1.00 1.14 N ATOM 36 CA PHE A 12 22.944 -10.823 -10.280 1.00 0.98 C ATOM 37 C PHE A 12 22.100 -12.092 -10.235 1.00 0.94 C ATOM 38 O PHE A 12 22.303 -12.941 -9.382 1.00 0.91 O ATOM 39 CB PHE A 12 22.290 -9.702 -9.469 1.00 0.98 C ATOM 40 CG PHE A 12 22.169 -10.004 -7.995 1.00 0.86 C ATOM 41 CD1 PHE A 12 23.274 -10.423 -7.278 1.00 0.83 C ATOM 42 CD2 PHE A 12 20.955 -9.870 -7.325 1.00 0.86 C ATOM 43 CE1 PHE A 12 23.183 -10.702 -5.933 1.00 0.77 C ATOM 44 CE2 PHE A 12 20.863 -10.150 -5.980 1.00 0.82 C ATOM 45 CZ PHE A 12 21.912 -10.550 -5.287 1.00 0.76 C ATOM 0 H PHE A 12 22.925 -9.455 -11.872 1.00 1.14 H new ATOM 0 HA PHE A 12 23.915 -11.022 -9.826 1.00 0.98 H new ATOM 0 HB2 PHE A 12 22.871 -8.788 -9.596 1.00 0.98 H new ATOM 0 HB3 PHE A 12 21.296 -9.507 -9.873 1.00 0.98 H new ATOM 0 HD1 PHE A 12 24.223 -10.533 -7.781 1.00 0.83 H new ATOM 0 HD2 PHE A 12 20.079 -9.544 -7.865 1.00 0.86 H new ATOM 0 HE1 PHE A 12 24.050 -11.028 -5.377 1.00 0.77 H new ATOM 0 HE2 PHE A 12 19.911 -10.040 -5.481 1.00 0.82 H new ATOM 0 HZ PHE A 12 21.813 -10.763 -4.233 1.00 0.76 H new ATOM 55 N PHE A 13 21.180 -12.244 -11.193 1.00 1.03 N ATOM 56 CA PHE A 13 20.360 -13.447 -11.253 1.00 1.16 C ATOM 57 C PHE A 13 21.280 -14.660 -11.240 1.00 1.12 C ATOM 58 O PHE A 13 21.088 -15.598 -10.463 1.00 1.08 O ATOM 59 CB PHE A 13 19.476 -13.459 -12.505 1.00 1.42 C ATOM 60 CG PHE A 13 18.161 -14.150 -12.289 1.00 1.67 C ATOM 61 CD1 PHE A 13 18.110 -15.520 -12.094 1.00 2.16 C ATOM 62 CD2 PHE A 13 16.978 -13.427 -12.258 1.00 1.91 C ATOM 63 CE1 PHE A 13 16.905 -16.159 -11.875 1.00 2.70 C ATOM 64 CE2 PHE A 13 15.770 -14.062 -12.042 1.00 2.42 C ATOM 65 CZ PHE A 13 15.733 -15.429 -11.849 1.00 2.77 C ATOM 0 H PHE A 13 20.990 -11.559 -11.924 1.00 1.03 H new ATOM 0 HA PHE A 13 19.695 -13.471 -10.389 1.00 1.16 H new ATOM 0 HB2 PHE A 13 19.293 -12.433 -12.823 1.00 1.42 H new ATOM 0 HB3 PHE A 13 20.011 -13.953 -13.316 1.00 1.42 H new ATOM 0 HD1 PHE A 13 19.023 -16.096 -12.113 1.00 2.16 H new ATOM 0 HD2 PHE A 13 17.001 -12.357 -12.404 1.00 1.91 H new ATOM 0 HE1 PHE A 13 16.880 -17.228 -11.724 1.00 2.70 H new ATOM 0 HE2 PHE A 13 14.855 -13.489 -12.024 1.00 2.42 H new ATOM 0 HZ PHE A 13 14.790 -15.926 -11.678 1.00 2.77 H new ATOM 75 N ARG A 14 22.321 -14.606 -12.073 1.00 1.21 N ATOM 76 CA ARG A 14 23.308 -15.676 -12.115 1.00 1.30 C ATOM 77 C ARG A 14 23.936 -15.796 -10.738 1.00 1.14 C ATOM 78 O ARG A 14 24.023 -16.883 -10.175 1.00 1.12 O ATOM 79 CB ARG A 14 24.388 -15.404 -13.176 1.00 1.55 C ATOM 80 CG ARG A 14 25.449 -16.495 -13.273 1.00 1.71 C ATOM 81 CD ARG A 14 24.842 -17.869 -13.523 1.00 2.48 C ATOM 82 NE ARG A 14 25.182 -18.815 -12.462 1.00 2.80 N ATOM 83 CZ ARG A 14 24.517 -19.943 -12.230 1.00 3.53 C ATOM 84 NH1 ARG A 14 23.473 -20.273 -12.979 1.00 4.35 N ATOM 85 NH2 ARG A 14 24.897 -20.741 -11.244 1.00 3.79 N ATOM 0 H ARG A 14 22.498 -13.838 -12.721 1.00 1.21 H new ATOM 0 HA ARG A 14 22.817 -16.609 -12.391 1.00 1.30 H new ATOM 0 HB2 ARG A 14 23.908 -15.291 -14.148 1.00 1.55 H new ATOM 0 HB3 ARG A 14 24.876 -14.456 -12.949 1.00 1.55 H new ATOM 0 HG2 ARG A 14 26.142 -16.254 -14.079 1.00 1.71 H new ATOM 0 HG3 ARG A 14 26.029 -16.518 -12.350 1.00 1.71 H new ATOM 0 HD2 ARG A 14 23.758 -17.779 -13.596 1.00 2.48 H new ATOM 0 HD3 ARG A 14 25.195 -18.254 -14.480 1.00 2.48 H new ATOM 0 HE ARG A 14 25.978 -18.597 -11.863 1.00 2.80 H new ATOM 0 HH11 ARG A 14 23.176 -19.660 -13.738 1.00 4.35 H new ATOM 0 HH12 ARG A 14 22.967 -21.140 -12.796 1.00 4.35 H new ATOM 0 HH21 ARG A 14 25.698 -20.490 -10.665 1.00 3.79 H new ATOM 0 HH22 ARG A 14 24.389 -21.607 -11.064 1.00 3.79 H new ATOM 99 N ASP A 15 24.348 -14.655 -10.187 1.00 1.12 N ATOM 100 CA ASP A 15 24.937 -14.627 -8.850 1.00 1.14 C ATOM 101 C ASP A 15 24.024 -15.351 -7.864 1.00 1.00 C ATOM 102 O ASP A 15 24.485 -16.112 -7.023 1.00 1.05 O ATOM 103 CB ASP A 15 25.161 -13.187 -8.375 1.00 1.29 C ATOM 104 CG ASP A 15 26.059 -12.386 -9.301 1.00 1.49 C ATOM 105 OD1 ASP A 15 25.828 -12.412 -10.527 1.00 1.84 O ATOM 106 OD2 ASP A 15 26.985 -11.722 -8.796 1.00 2.10 O ATOM 0 H ASP A 15 24.285 -13.744 -10.642 1.00 1.12 H new ATOM 0 HA ASP A 15 25.903 -15.131 -8.896 1.00 1.14 H new ATOM 0 HB2 ASP A 15 24.197 -12.685 -8.290 1.00 1.29 H new ATOM 0 HB3 ASP A 15 25.601 -13.204 -7.378 1.00 1.29 H new ATOM 111 N MET A 16 22.716 -15.111 -7.982 1.00 0.93 N ATOM 112 CA MET A 16 21.731 -15.749 -7.115 1.00 0.98 C ATOM 113 C MET A 16 21.919 -17.257 -7.163 1.00 0.88 C ATOM 114 O MET A 16 22.154 -17.901 -6.138 1.00 0.88 O ATOM 115 CB MET A 16 20.306 -15.372 -7.544 1.00 1.15 C ATOM 116 CG MET A 16 19.352 -15.175 -6.377 1.00 1.45 C ATOM 117 SD MET A 16 19.118 -16.678 -5.408 1.00 1.92 S ATOM 118 CE MET A 16 18.813 -15.992 -3.781 1.00 2.23 C ATOM 0 H MET A 16 22.316 -14.476 -8.673 1.00 0.93 H new ATOM 0 HA MET A 16 21.877 -15.400 -6.093 1.00 0.98 H new ATOM 0 HB2 MET A 16 20.343 -14.454 -8.131 1.00 1.15 H new ATOM 0 HB3 MET A 16 19.913 -16.152 -8.196 1.00 1.15 H new ATOM 0 HG2 MET A 16 19.735 -14.386 -5.729 1.00 1.45 H new ATOM 0 HG3 MET A 16 18.387 -14.837 -6.755 1.00 1.45 H new ATOM 0 HE1 MET A 16 18.649 -16.802 -3.070 1.00 2.23 H new ATOM 0 HE2 MET A 16 19.674 -15.402 -3.468 1.00 2.23 H new ATOM 0 HE3 MET A 16 17.930 -15.354 -3.815 1.00 2.23 H new ATOM 128 N ASP A 17 21.860 -17.813 -8.371 1.00 0.91 N ATOM 129 CA ASP A 17 22.073 -19.240 -8.554 1.00 0.97 C ATOM 130 C ASP A 17 23.406 -19.618 -7.925 1.00 0.88 C ATOM 131 O ASP A 17 23.491 -20.577 -7.168 1.00 0.86 O ATOM 132 CB ASP A 17 22.059 -19.605 -10.044 1.00 1.19 C ATOM 133 CG ASP A 17 21.914 -18.396 -10.957 1.00 1.80 C ATOM 134 OD1 ASP A 17 21.173 -17.454 -10.597 1.00 2.46 O ATOM 135 OD2 ASP A 17 22.529 -18.400 -12.043 1.00 2.44 O ATOM 0 H ASP A 17 21.668 -17.298 -9.230 1.00 0.91 H new ATOM 0 HA ASP A 17 21.268 -19.793 -8.071 1.00 0.97 H new ATOM 0 HB2 ASP A 17 22.982 -20.130 -10.291 1.00 1.19 H new ATOM 0 HB3 ASP A 17 21.238 -20.296 -10.234 1.00 1.19 H new ATOM 140 N ASP A 18 24.441 -18.834 -8.222 1.00 0.95 N ATOM 141 CA ASP A 18 25.764 -19.071 -7.657 1.00 1.09 C ATOM 142 C ASP A 18 25.661 -19.210 -6.139 1.00 1.01 C ATOM 143 O ASP A 18 26.294 -20.082 -5.543 1.00 1.05 O ATOM 144 CB ASP A 18 26.730 -17.938 -8.029 1.00 1.33 C ATOM 145 CG ASP A 18 27.145 -17.971 -9.491 1.00 1.90 C ATOM 146 OD1 ASP A 18 26.904 -18.999 -10.159 1.00 2.49 O ATOM 147 OD2 ASP A 18 27.711 -16.967 -9.970 1.00 2.48 O ATOM 0 H ASP A 18 24.387 -18.032 -8.849 1.00 0.95 H new ATOM 0 HA ASP A 18 26.159 -19.998 -8.073 1.00 1.09 H new ATOM 0 HB2 ASP A 18 26.259 -16.979 -7.812 1.00 1.33 H new ATOM 0 HB3 ASP A 18 27.619 -18.005 -7.402 1.00 1.33 H new ATOM 152 N GLU A 19 24.838 -18.361 -5.518 1.00 1.02 N ATOM 153 CA GLU A 19 24.638 -18.419 -4.074 1.00 1.12 C ATOM 154 C GLU A 19 24.204 -19.819 -3.682 1.00 0.89 C ATOM 155 O GLU A 19 24.944 -20.566 -3.045 1.00 0.88 O ATOM 156 CB GLU A 19 23.525 -17.451 -3.662 1.00 1.38 C ATOM 157 CG GLU A 19 23.721 -16.025 -4.122 1.00 2.04 C ATOM 158 CD GLU A 19 24.808 -15.894 -5.176 1.00 2.53 C ATOM 159 OE1 GLU A 19 25.613 -14.943 -5.087 1.00 3.02 O ATOM 160 OE2 GLU A 19 24.853 -16.741 -6.096 1.00 3.07 O ATOM 0 H GLU A 19 24.305 -17.632 -5.991 1.00 1.02 H new ATOM 0 HA GLU A 19 25.572 -18.151 -3.581 1.00 1.12 H new ATOM 0 HB2 GLU A 19 22.578 -17.819 -4.058 1.00 1.38 H new ATOM 0 HB3 GLU A 19 23.440 -17.459 -2.575 1.00 1.38 H new ATOM 0 HG2 GLU A 19 22.782 -15.645 -4.525 1.00 2.04 H new ATOM 0 HG3 GLU A 19 23.975 -15.402 -3.264 1.00 2.04 H new ATOM 167 N GLU A 20 23.007 -20.172 -4.125 1.00 0.84 N ATOM 168 CA GLU A 20 22.446 -21.494 -3.875 1.00 0.84 C ATOM 169 C GLU A 20 23.457 -22.572 -4.243 1.00 0.73 C ATOM 170 O GLU A 20 23.536 -23.617 -3.597 1.00 0.78 O ATOM 171 CB GLU A 20 21.152 -21.678 -4.680 1.00 1.03 C ATOM 172 CG GLU A 20 20.704 -23.129 -4.816 1.00 1.61 C ATOM 173 CD GLU A 20 19.791 -23.588 -3.688 1.00 1.98 C ATOM 174 OE1 GLU A 20 19.388 -22.747 -2.856 1.00 2.49 O ATOM 175 OE2 GLU A 20 19.474 -24.795 -3.638 1.00 2.50 O ATOM 0 H GLU A 20 22.399 -19.556 -4.665 1.00 0.84 H new ATOM 0 HA GLU A 20 22.213 -21.584 -2.814 1.00 0.84 H new ATOM 0 HB2 GLU A 20 20.356 -21.106 -4.203 1.00 1.03 H new ATOM 0 HB3 GLU A 20 21.293 -21.258 -5.676 1.00 1.03 H new ATOM 0 HG2 GLU A 20 20.186 -23.254 -5.767 1.00 1.61 H new ATOM 0 HG3 GLU A 20 21.584 -23.772 -4.846 1.00 1.61 H new ATOM 182 N SER A 21 24.231 -22.305 -5.290 1.00 0.75 N ATOM 183 CA SER A 21 25.242 -23.242 -5.742 1.00 0.89 C ATOM 184 C SER A 21 26.243 -23.499 -4.623 1.00 0.84 C ATOM 185 O SER A 21 26.717 -24.622 -4.461 1.00 0.91 O ATOM 186 CB SER A 21 25.945 -22.721 -6.998 1.00 1.14 C ATOM 187 OG SER A 21 25.315 -23.210 -8.172 1.00 1.59 O ATOM 0 H SER A 21 24.174 -21.447 -5.838 1.00 0.75 H new ATOM 0 HA SER A 21 24.759 -24.184 -6.002 1.00 0.89 H new ATOM 0 HB2 SER A 21 25.932 -21.631 -7.001 1.00 1.14 H new ATOM 0 HB3 SER A 21 26.991 -23.027 -6.987 1.00 1.14 H new ATOM 0 HG SER A 21 25.780 -22.863 -8.962 1.00 1.59 H new ATOM 193 N TRP A 22 26.539 -22.464 -3.826 1.00 0.91 N ATOM 194 CA TRP A 22 27.462 -22.627 -2.708 1.00 1.05 C ATOM 195 C TRP A 22 26.994 -23.773 -1.841 1.00 0.87 C ATOM 196 O TRP A 22 27.718 -24.740 -1.647 1.00 0.92 O ATOM 197 CB TRP A 22 27.577 -21.376 -1.822 1.00 1.38 C ATOM 198 CG TRP A 22 28.406 -21.668 -0.602 1.00 1.53 C ATOM 199 CD1 TRP A 22 27.968 -22.034 0.638 1.00 2.19 C ATOM 200 CD2 TRP A 22 29.830 -21.677 -0.538 1.00 1.39 C ATOM 201 NE1 TRP A 22 29.045 -22.278 1.461 1.00 2.16 N ATOM 202 CE2 TRP A 22 30.198 -22.061 0.755 1.00 1.65 C ATOM 203 CE3 TRP A 22 30.823 -21.397 -1.455 1.00 1.73 C ATOM 204 CZ2 TRP A 22 31.530 -22.176 1.141 1.00 1.79 C ATOM 205 CZ3 TRP A 22 32.143 -21.504 -1.079 1.00 2.24 C ATOM 206 CH2 TRP A 22 32.486 -21.896 0.213 1.00 2.11 C ATOM 0 H TRP A 22 26.158 -21.524 -3.935 1.00 0.91 H new ATOM 0 HA TRP A 22 28.444 -22.816 -3.142 1.00 1.05 H new ATOM 0 HB2 TRP A 22 28.028 -20.562 -2.389 1.00 1.38 H new ATOM 0 HB3 TRP A 22 26.583 -21.043 -1.522 1.00 1.38 H new ATOM 0 HD1 TRP A 22 26.932 -22.119 0.930 1.00 2.19 H new ATOM 0 HE1 TRP A 22 28.992 -22.572 2.436 1.00 2.16 H new ATOM 0 HE3 TRP A 22 30.566 -21.096 -2.460 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 31.797 -22.477 2.143 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 32.921 -21.282 -1.794 1.00 2.24 H new ATOM 0 HH2 TRP A 22 33.528 -21.979 0.483 1.00 2.11 H new ATOM 217 N ILE A 23 25.779 -23.650 -1.307 1.00 0.80 N ATOM 218 CA ILE A 23 25.224 -24.688 -0.447 1.00 0.90 C ATOM 219 C ILE A 23 25.589 -26.072 -0.977 1.00 0.87 C ATOM 220 O ILE A 23 26.151 -26.888 -0.256 1.00 0.95 O ATOM 221 CB ILE A 23 23.690 -24.570 -0.326 1.00 1.16 C ATOM 222 CG1 ILE A 23 23.304 -23.235 0.325 1.00 1.34 C ATOM 223 CG2 ILE A 23 23.125 -25.738 0.474 1.00 1.46 C ATOM 224 CD1 ILE A 23 21.935 -22.733 -0.084 1.00 1.92 C ATOM 0 H ILE A 23 25.167 -22.848 -1.455 1.00 0.80 H new ATOM 0 HA ILE A 23 25.656 -24.551 0.544 1.00 0.90 H new ATOM 0 HB ILE A 23 23.262 -24.601 -1.328 1.00 1.16 H new ATOM 0 HG12 ILE A 23 23.331 -23.348 1.409 1.00 1.34 H new ATOM 0 HG13 ILE A 23 24.050 -22.484 0.064 1.00 1.34 H new ATOM 0 HG21 ILE A 23 22.042 -25.638 0.549 1.00 1.46 H new ATOM 0 HG22 ILE A 23 23.369 -26.674 -0.028 1.00 1.46 H new ATOM 0 HG23 ILE A 23 23.559 -25.738 1.474 1.00 1.46 H new ATOM 0 HD11 ILE A 23 21.731 -21.786 0.415 1.00 1.92 H new ATOM 0 HD12 ILE A 23 21.909 -22.587 -1.164 1.00 1.92 H new ATOM 0 HD13 ILE A 23 21.179 -23.464 0.202 1.00 1.92 H new ATOM 236 N LYS A 24 25.285 -26.321 -2.246 1.00 0.92 N ATOM 237 CA LYS A 24 25.601 -27.608 -2.866 1.00 1.18 C ATOM 238 C LYS A 24 27.090 -27.930 -2.723 1.00 1.21 C ATOM 239 O LYS A 24 27.465 -29.019 -2.285 1.00 1.38 O ATOM 240 CB LYS A 24 25.221 -27.600 -4.350 1.00 1.40 C ATOM 241 CG LYS A 24 23.866 -26.968 -4.643 1.00 2.00 C ATOM 242 CD LYS A 24 23.401 -27.276 -6.060 1.00 2.68 C ATOM 243 CE LYS A 24 24.240 -26.549 -7.103 1.00 3.24 C ATOM 244 NZ LYS A 24 23.484 -25.447 -7.759 1.00 3.58 N ATOM 0 H LYS A 24 24.823 -25.655 -2.865 1.00 0.92 H new ATOM 0 HA LYS A 24 25.022 -28.375 -2.352 1.00 1.18 H new ATOM 0 HB2 LYS A 24 25.988 -27.063 -4.907 1.00 1.40 H new ATOM 0 HB3 LYS A 24 25.219 -28.626 -4.719 1.00 1.40 H new ATOM 0 HG2 LYS A 24 23.129 -27.337 -3.929 1.00 2.00 H new ATOM 0 HG3 LYS A 24 23.930 -25.888 -4.506 1.00 2.00 H new ATOM 0 HD2 LYS A 24 23.456 -28.351 -6.235 1.00 2.68 H new ATOM 0 HD3 LYS A 24 22.355 -26.988 -6.170 1.00 2.68 H new ATOM 0 HE2 LYS A 24 25.134 -26.143 -6.630 1.00 3.24 H new ATOM 0 HE3 LYS A 24 24.574 -27.260 -7.859 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 24.130 -24.659 -7.968 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 23.064 -25.794 -8.645 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 22.730 -25.117 -7.124 1.00 3.58 H new ATOM 258 N GLU A 25 27.932 -26.971 -3.100 1.00 1.18 N ATOM 259 CA GLU A 25 29.383 -27.140 -3.027 1.00 1.40 C ATOM 260 C GLU A 25 29.835 -27.444 -1.601 1.00 1.37 C ATOM 261 O GLU A 25 30.693 -28.299 -1.381 1.00 1.59 O ATOM 262 CB GLU A 25 30.083 -25.879 -3.552 1.00 1.58 C ATOM 263 CG GLU A 25 31.547 -25.757 -3.139 1.00 2.34 C ATOM 264 CD GLU A 25 32.515 -26.382 -4.135 1.00 2.86 C ATOM 265 OE1 GLU A 25 32.057 -26.955 -5.147 1.00 3.45 O ATOM 266 OE2 GLU A 25 33.739 -26.293 -3.901 1.00 3.26 O ATOM 0 H GLU A 25 27.634 -26.065 -3.461 1.00 1.18 H new ATOM 0 HA GLU A 25 29.659 -27.990 -3.651 1.00 1.40 H new ATOM 0 HB2 GLU A 25 30.022 -25.870 -4.640 1.00 1.58 H new ATOM 0 HB3 GLU A 25 29.542 -25.002 -3.195 1.00 1.58 H new ATOM 0 HG2 GLU A 25 31.795 -24.703 -3.017 1.00 2.34 H new ATOM 0 HG3 GLU A 25 31.682 -26.231 -2.167 1.00 2.34 H new ATOM 273 N LYS A 26 29.258 -26.737 -0.638 1.00 1.19 N ATOM 274 CA LYS A 26 29.604 -26.936 0.757 1.00 1.29 C ATOM 275 C LYS A 26 29.118 -28.305 1.221 1.00 1.31 C ATOM 276 O LYS A 26 29.858 -29.049 1.862 1.00 1.49 O ATOM 277 CB LYS A 26 29.019 -25.812 1.619 1.00 1.34 C ATOM 278 CG LYS A 26 29.490 -25.846 3.067 1.00 1.63 C ATOM 279 CD LYS A 26 30.771 -25.048 3.263 1.00 2.01 C ATOM 280 CE LYS A 26 31.961 -25.702 2.576 1.00 2.27 C ATOM 281 NZ LYS A 26 32.179 -25.161 1.206 1.00 2.77 N ATOM 0 H LYS A 26 28.549 -26.022 -0.801 1.00 1.19 H new ATOM 0 HA LYS A 26 30.688 -26.905 0.866 1.00 1.29 H new ATOM 0 HB2 LYS A 26 29.289 -24.851 1.180 1.00 1.34 H new ATOM 0 HB3 LYS A 26 27.931 -25.878 1.598 1.00 1.34 H new ATOM 0 HG2 LYS A 26 28.709 -25.444 3.713 1.00 1.63 H new ATOM 0 HG3 LYS A 26 29.655 -26.879 3.371 1.00 1.63 H new ATOM 0 HD2 LYS A 26 30.634 -24.041 2.870 1.00 2.01 H new ATOM 0 HD3 LYS A 26 30.977 -24.949 4.329 1.00 2.01 H new ATOM 0 HE2 LYS A 26 32.858 -25.544 3.175 1.00 2.27 H new ATOM 0 HE3 LYS A 26 31.801 -26.779 2.520 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 31.937 -25.888 0.503 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 31.576 -24.326 1.062 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 33.177 -24.890 1.094 1.00 2.77 H new ATOM 295 N LYS A 27 27.881 -28.649 0.862 1.00 1.25 N ATOM 296 CA LYS A 27 27.319 -29.945 1.215 1.00 1.48 C ATOM 297 C LYS A 27 28.302 -31.041 0.824 1.00 1.65 C ATOM 298 O LYS A 27 28.514 -31.997 1.569 1.00 1.84 O ATOM 299 CB LYS A 27 25.978 -30.159 0.506 1.00 1.61 C ATOM 300 CG LYS A 27 25.338 -31.508 0.799 1.00 2.10 C ATOM 301 CD LYS A 27 25.714 -32.549 -0.248 1.00 2.50 C ATOM 302 CE LYS A 27 25.911 -33.924 0.372 1.00 3.05 C ATOM 303 NZ LYS A 27 24.670 -34.417 1.030 1.00 3.62 N ATOM 0 H LYS A 27 27.253 -28.047 0.328 1.00 1.25 H new ATOM 0 HA LYS A 27 27.145 -29.980 2.290 1.00 1.48 H new ATOM 0 HB2 LYS A 27 25.290 -29.368 0.804 1.00 1.61 H new ATOM 0 HB3 LYS A 27 26.127 -30.064 -0.570 1.00 1.61 H new ATOM 0 HG2 LYS A 27 25.651 -31.853 1.784 1.00 2.10 H new ATOM 0 HG3 LYS A 27 24.254 -31.398 0.830 1.00 2.10 H new ATOM 0 HD2 LYS A 27 24.933 -32.600 -1.007 1.00 2.50 H new ATOM 0 HD3 LYS A 27 26.630 -32.243 -0.753 1.00 2.50 H new ATOM 0 HE2 LYS A 27 26.218 -34.630 -0.400 1.00 3.05 H new ATOM 0 HE3 LYS A 27 26.718 -33.881 1.104 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 24.824 -35.384 1.381 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 24.428 -33.794 1.827 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 23.890 -34.418 0.343 1.00 3.62 H new ATOM 317 N LEU A 28 28.911 -30.884 -0.353 1.00 1.65 N ATOM 318 CA LEU A 28 29.889 -31.847 -0.844 1.00 1.92 C ATOM 319 C LEU A 28 30.994 -32.034 0.188 1.00 1.96 C ATOM 320 O LEU A 28 31.361 -33.160 0.526 1.00 2.16 O ATOM 321 CB LEU A 28 30.485 -31.373 -2.172 1.00 2.05 C ATOM 322 CG LEU A 28 31.198 -32.456 -2.989 1.00 2.51 C ATOM 323 CD1 LEU A 28 30.193 -33.273 -3.789 1.00 3.19 C ATOM 324 CD2 LEU A 28 32.237 -31.831 -3.910 1.00 2.78 C ATOM 0 H LEU A 28 28.742 -30.098 -0.981 1.00 1.65 H new ATOM 0 HA LEU A 28 29.389 -32.801 -1.009 1.00 1.92 H new ATOM 0 HB2 LEU A 28 29.686 -30.948 -2.780 1.00 2.05 H new ATOM 0 HB3 LEU A 28 31.192 -30.569 -1.968 1.00 2.05 H new ATOM 0 HG LEU A 28 31.710 -33.127 -2.299 1.00 2.51 H new ATOM 0 HD11 LEU A 28 30.719 -34.037 -4.362 1.00 3.19 H new ATOM 0 HD12 LEU A 28 29.489 -33.751 -3.108 1.00 3.19 H new ATOM 0 HD13 LEU A 28 29.651 -32.617 -4.470 1.00 3.19 H new ATOM 0 HD21 LEU A 28 32.734 -32.614 -4.483 1.00 2.78 H new ATOM 0 HD22 LEU A 28 31.747 -31.137 -4.593 1.00 2.78 H new ATOM 0 HD23 LEU A 28 32.975 -31.294 -3.314 1.00 2.78 H new ATOM 336 N LEU A 29 31.511 -30.916 0.694 1.00 1.84 N ATOM 337 CA LEU A 29 32.565 -30.950 1.702 1.00 2.00 C ATOM 338 C LEU A 29 32.113 -31.783 2.895 1.00 2.03 C ATOM 339 O LEU A 29 32.840 -32.652 3.372 1.00 2.24 O ATOM 340 CB LEU A 29 32.919 -29.531 2.160 1.00 2.00 C ATOM 341 CG LEU A 29 34.342 -29.362 2.707 1.00 2.43 C ATOM 342 CD1 LEU A 29 35.312 -29.028 1.582 1.00 3.08 C ATOM 343 CD2 LEU A 29 34.379 -28.284 3.781 1.00 3.02 C ATOM 0 H LEU A 29 31.217 -29.978 0.422 1.00 1.84 H new ATOM 0 HA LEU A 29 33.453 -31.403 1.262 1.00 2.00 H new ATOM 0 HB2 LEU A 29 32.786 -28.850 1.319 1.00 2.00 H new ATOM 0 HB3 LEU A 29 32.211 -29.227 2.931 1.00 2.00 H new ATOM 0 HG LEU A 29 34.650 -30.306 3.157 1.00 2.43 H new ATOM 0 HD11 LEU A 29 36.316 -28.912 1.990 1.00 3.08 H new ATOM 0 HD12 LEU A 29 35.309 -29.834 0.848 1.00 3.08 H new ATOM 0 HD13 LEU A 29 35.006 -28.099 1.102 1.00 3.08 H new ATOM 0 HD21 LEU A 29 35.397 -28.179 4.156 1.00 3.02 H new ATOM 0 HD22 LEU A 29 34.049 -27.336 3.356 1.00 3.02 H new ATOM 0 HD23 LEU A 29 33.717 -28.564 4.601 1.00 3.02 H new ATOM 355 N VAL A 30 30.897 -31.517 3.360 1.00 1.90 N ATOM 356 CA VAL A 30 30.335 -32.245 4.489 1.00 2.05 C ATOM 357 C VAL A 30 30.269 -33.736 4.176 1.00 2.27 C ATOM 358 O VAL A 30 30.481 -34.576 5.051 1.00 2.48 O ATOM 359 CB VAL A 30 28.919 -31.739 4.846 1.00 2.03 C ATOM 360 CG1 VAL A 30 28.461 -32.321 6.175 1.00 2.35 C ATOM 361 CG2 VAL A 30 28.885 -30.216 4.884 1.00 2.26 C ATOM 0 H VAL A 30 30.282 -30.802 2.971 1.00 1.90 H new ATOM 0 HA VAL A 30 30.989 -32.073 5.344 1.00 2.05 H new ATOM 0 HB VAL A 30 28.230 -32.075 4.071 1.00 2.03 H new ATOM 0 HG11 VAL A 30 27.462 -31.953 6.409 1.00 2.35 H new ATOM 0 HG12 VAL A 30 28.440 -33.409 6.108 1.00 2.35 H new ATOM 0 HG13 VAL A 30 29.152 -32.019 6.962 1.00 2.35 H new ATOM 0 HG21 VAL A 30 27.879 -29.881 5.137 1.00 2.26 H new ATOM 0 HG22 VAL A 30 29.588 -29.855 5.635 1.00 2.26 H new ATOM 0 HG23 VAL A 30 29.164 -29.821 3.907 1.00 2.26 H new ATOM 371 N SER A 31 29.980 -34.053 2.917 1.00 2.30 N ATOM 372 CA SER A 31 29.893 -35.441 2.476 1.00 2.61 C ATOM 373 C SER A 31 31.226 -36.150 2.691 1.00 2.74 C ATOM 374 O SER A 31 31.264 -37.335 3.023 1.00 3.01 O ATOM 375 CB SER A 31 29.482 -35.511 1.001 1.00 2.70 C ATOM 376 OG SER A 31 28.250 -36.192 0.846 1.00 2.71 O ATOM 0 H SER A 31 29.802 -33.367 2.184 1.00 2.30 H new ATOM 0 HA SER A 31 29.131 -35.946 3.070 1.00 2.61 H new ATOM 0 HB2 SER A 31 29.397 -34.503 0.596 1.00 2.70 H new ATOM 0 HB3 SER A 31 30.257 -36.020 0.428 1.00 2.70 H new ATOM 0 HG SER A 31 28.010 -36.221 -0.104 1.00 2.71 H new ATOM 382 N SER A 32 32.318 -35.406 2.517 1.00 2.63 N ATOM 383 CA SER A 32 33.659 -35.955 2.709 1.00 2.85 C ATOM 384 C SER A 32 33.998 -35.987 4.192 1.00 2.93 C ATOM 385 O SER A 32 34.621 -36.928 4.684 1.00 3.19 O ATOM 386 CB SER A 32 34.697 -35.122 1.948 1.00 2.84 C ATOM 387 OG SER A 32 35.185 -34.054 2.744 1.00 3.16 O ATOM 0 H SER A 32 32.300 -34.423 2.244 1.00 2.63 H new ATOM 0 HA SER A 32 33.679 -36.972 2.316 1.00 2.85 H new ATOM 0 HB2 SER A 32 35.527 -35.760 1.644 1.00 2.84 H new ATOM 0 HB3 SER A 32 34.250 -34.724 1.037 1.00 2.84 H new ATOM 0 HG SER A 32 34.439 -33.478 3.011 1.00 3.16 H new ATOM 393 N GLU A 33 33.575 -34.942 4.896 1.00 2.79 N ATOM 394 CA GLU A 33 33.808 -34.815 6.329 1.00 2.95 C ATOM 395 C GLU A 33 35.295 -34.835 6.671 1.00 3.13 C ATOM 396 O GLU A 33 35.666 -35.129 7.805 1.00 3.53 O ATOM 397 CB GLU A 33 33.073 -35.924 7.093 1.00 3.57 C ATOM 398 CG GLU A 33 32.210 -35.406 8.232 1.00 3.89 C ATOM 399 CD GLU A 33 32.924 -34.374 9.085 1.00 3.97 C ATOM 400 OE1 GLU A 33 33.777 -34.770 9.906 1.00 4.15 O ATOM 401 OE2 GLU A 33 32.637 -33.168 8.928 1.00 4.37 O ATOM 0 H GLU A 33 33.062 -34.160 4.489 1.00 2.79 H new ATOM 0 HA GLU A 33 33.413 -33.847 6.636 1.00 2.95 H new ATOM 0 HB2 GLU A 33 32.446 -36.480 6.396 1.00 3.57 H new ATOM 0 HB3 GLU A 33 33.805 -36.626 7.493 1.00 3.57 H new ATOM 0 HG2 GLU A 33 31.301 -34.966 7.822 1.00 3.89 H new ATOM 0 HG3 GLU A 33 31.905 -36.243 8.861 1.00 3.89 H new ATOM 408 N ASP A 34 36.135 -34.508 5.690 1.00 3.39 N ATOM 409 CA ASP A 34 37.584 -34.469 5.886 1.00 4.20 C ATOM 410 C ASP A 34 38.137 -35.803 6.404 1.00 4.34 C ATOM 411 O ASP A 34 39.261 -35.864 6.906 1.00 4.57 O ATOM 412 CB ASP A 34 37.947 -33.308 6.834 1.00 4.70 C ATOM 413 CG ASP A 34 38.525 -33.749 8.171 1.00 4.63 C ATOM 414 OD1 ASP A 34 37.838 -34.479 8.918 1.00 4.85 O ATOM 415 OD2 ASP A 34 39.666 -33.354 8.477 1.00 4.83 O ATOM 0 H ASP A 34 35.835 -34.265 4.746 1.00 3.39 H new ATOM 0 HA ASP A 34 38.052 -34.299 4.916 1.00 4.20 H new ATOM 0 HB2 ASP A 34 38.668 -32.659 6.336 1.00 4.70 H new ATOM 0 HB3 ASP A 34 37.054 -32.711 7.017 1.00 4.70 H new ATOM 420 N TYR A 35 37.358 -36.876 6.264 1.00 4.62 N ATOM 421 CA TYR A 35 37.796 -38.194 6.717 1.00 5.01 C ATOM 422 C TYR A 35 39.169 -38.534 6.136 1.00 4.75 C ATOM 423 O TYR A 35 39.508 -38.105 5.032 1.00 5.05 O ATOM 424 CB TYR A 35 36.771 -39.265 6.318 1.00 5.66 C ATOM 425 CG TYR A 35 37.111 -39.993 5.033 1.00 6.44 C ATOM 426 CD1 TYR A 35 36.765 -39.457 3.799 1.00 6.97 C ATOM 427 CD2 TYR A 35 37.774 -41.215 5.055 1.00 6.95 C ATOM 428 CE1 TYR A 35 37.070 -40.117 2.624 1.00 7.94 C ATOM 429 CE2 TYR A 35 38.082 -41.880 3.884 1.00 7.93 C ATOM 430 CZ TYR A 35 37.739 -41.332 2.677 1.00 8.40 C ATOM 431 OH TYR A 35 38.033 -41.986 1.503 1.00 9.52 O ATOM 0 H TYR A 35 36.429 -36.858 5.844 1.00 4.62 H new ATOM 0 HA TYR A 35 37.876 -38.174 7.804 1.00 5.01 H new ATOM 0 HB2 TYR A 35 36.688 -39.993 7.125 1.00 5.66 H new ATOM 0 HB3 TYR A 35 35.793 -38.796 6.210 1.00 5.66 H new ATOM 0 HD1 TYR A 35 36.249 -38.509 3.757 1.00 6.97 H new ATOM 0 HD2 TYR A 35 38.053 -41.651 6.003 1.00 6.95 H new ATOM 0 HE1 TYR A 35 36.790 -39.691 1.672 1.00 7.94 H new ATOM 0 HE2 TYR A 35 38.593 -42.831 3.920 1.00 7.93 H new ATOM 0 HH TYR A 35 38.504 -42.822 1.703 1.00 9.52 H new ATOM 441 N GLY A 36 39.954 -39.303 6.884 1.00 4.65 N ATOM 442 CA GLY A 36 41.277 -39.682 6.425 1.00 4.85 C ATOM 443 C GLY A 36 42.290 -39.735 7.548 1.00 4.72 C ATOM 444 O GLY A 36 42.883 -38.716 7.905 1.00 4.78 O ATOM 0 H GLY A 36 39.697 -39.670 7.800 1.00 4.65 H new ATOM 0 HA2 GLY A 36 41.224 -40.658 5.942 1.00 4.85 H new ATOM 0 HA3 GLY A 36 41.613 -38.971 5.671 1.00 4.85 H new ATOM 448 N ARG A 37 42.488 -40.929 8.103 1.00 4.88 N ATOM 449 CA ARG A 37 43.437 -41.132 9.195 1.00 4.91 C ATOM 450 C ARG A 37 43.130 -40.216 10.377 1.00 4.57 C ATOM 451 O ARG A 37 43.667 -39.111 10.483 1.00 4.62 O ATOM 452 CB ARG A 37 44.874 -40.909 8.708 1.00 5.47 C ATOM 453 CG ARG A 37 45.934 -41.440 9.664 1.00 5.76 C ATOM 454 CD ARG A 37 45.933 -42.962 9.719 1.00 5.57 C ATOM 455 NE ARG A 37 47.072 -43.538 9.007 1.00 6.10 N ATOM 456 CZ ARG A 37 48.260 -43.761 9.563 1.00 6.73 C ATOM 457 NH1 ARG A 37 48.466 -43.449 10.836 1.00 7.03 N ATOM 458 NH2 ARG A 37 49.241 -44.301 8.851 1.00 7.28 N ATOM 0 H ARG A 37 42.000 -41.776 7.812 1.00 4.88 H new ATOM 0 HA ARG A 37 43.336 -42.163 9.534 1.00 4.91 H new ATOM 0 HB2 ARG A 37 44.998 -41.391 7.738 1.00 5.47 H new ATOM 0 HB3 ARG A 37 45.036 -39.842 8.557 1.00 5.47 H new ATOM 0 HG2 ARG A 37 46.917 -41.088 9.349 1.00 5.76 H new ATOM 0 HG3 ARG A 37 45.757 -41.040 10.662 1.00 5.76 H new ATOM 0 HD2 ARG A 37 45.954 -43.287 10.759 1.00 5.57 H new ATOM 0 HD3 ARG A 37 45.007 -43.339 9.286 1.00 5.57 H new ATOM 0 HE ARG A 37 46.949 -43.784 8.025 1.00 6.10 H new ATOM 0 HH11 ARG A 37 47.714 -43.038 11.389 1.00 7.03 H new ATOM 0 HH12 ARG A 37 49.377 -43.620 11.262 1.00 7.03 H new ATOM 0 HH21 ARG A 37 49.086 -44.547 7.873 1.00 7.28 H new ATOM 0 HH22 ARG A 37 50.150 -44.470 9.281 1.00 7.28 H new ATOM 472 N ASP A 38 42.267 -40.694 11.268 1.00 4.69 N ATOM 473 CA ASP A 38 41.883 -39.936 12.455 1.00 4.86 C ATOM 474 C ASP A 38 42.623 -40.454 13.686 1.00 4.66 C ATOM 475 O ASP A 38 42.763 -39.742 14.681 1.00 4.86 O ATOM 476 CB ASP A 38 40.369 -40.025 12.679 1.00 5.43 C ATOM 477 CG ASP A 38 39.983 -40.977 13.801 1.00 5.48 C ATOM 478 OD1 ASP A 38 40.826 -41.808 14.207 1.00 5.43 O ATOM 479 OD2 ASP A 38 38.831 -40.895 14.272 1.00 5.96 O ATOM 0 H ASP A 38 41.818 -41.607 11.190 1.00 4.69 H new ATOM 0 HA ASP A 38 42.156 -38.893 12.297 1.00 4.86 H new ATOM 0 HB2 ASP A 38 39.983 -39.031 12.906 1.00 5.43 H new ATOM 0 HB3 ASP A 38 39.890 -40.350 11.755 1.00 5.43 H new ATOM 484 N LEU A 39 43.095 -41.702 13.604 1.00 4.60 N ATOM 485 CA LEU A 39 43.830 -42.335 14.702 1.00 4.67 C ATOM 486 C LEU A 39 44.826 -41.367 15.335 1.00 4.33 C ATOM 487 O LEU A 39 44.904 -41.257 16.558 1.00 4.41 O ATOM 488 CB LEU A 39 44.563 -43.582 14.203 1.00 4.84 C ATOM 489 CG LEU A 39 43.665 -44.681 13.622 1.00 5.16 C ATOM 490 CD1 LEU A 39 44.504 -45.732 12.908 1.00 5.47 C ATOM 491 CD2 LEU A 39 42.821 -45.319 14.717 1.00 5.40 C ATOM 0 H LEU A 39 42.980 -42.296 12.783 1.00 4.60 H new ATOM 0 HA LEU A 39 43.105 -42.624 15.463 1.00 4.67 H new ATOM 0 HB2 LEU A 39 45.280 -43.281 13.440 1.00 4.84 H new ATOM 0 HB3 LEU A 39 45.135 -44.002 15.030 1.00 4.84 H new ATOM 0 HG LEU A 39 42.992 -44.227 12.895 1.00 5.16 H new ATOM 0 HD11 LEU A 39 43.851 -46.504 12.502 1.00 5.47 H new ATOM 0 HD12 LEU A 39 45.060 -45.263 12.096 1.00 5.47 H new ATOM 0 HD13 LEU A 39 45.202 -46.182 13.614 1.00 5.47 H new ATOM 0 HD21 LEU A 39 42.191 -46.096 14.284 1.00 5.40 H new ATOM 0 HD22 LEU A 39 43.475 -45.759 15.470 1.00 5.40 H new ATOM 0 HD23 LEU A 39 42.193 -44.559 15.181 1.00 5.40 H new ATOM 503 N THR A 40 45.581 -40.664 14.495 1.00 4.12 N ATOM 504 CA THR A 40 46.559 -39.695 14.975 1.00 3.95 C ATOM 505 C THR A 40 45.846 -38.429 15.442 1.00 3.81 C ATOM 506 O THR A 40 45.949 -37.381 14.812 1.00 3.56 O ATOM 507 CB THR A 40 47.572 -39.362 13.870 1.00 3.89 C ATOM 508 OG1 THR A 40 48.429 -38.305 14.273 1.00 4.22 O ATOM 509 CG2 THR A 40 46.928 -38.956 12.557 1.00 3.59 C ATOM 0 H THR A 40 45.534 -40.748 13.480 1.00 4.12 H new ATOM 0 HA THR A 40 47.101 -40.127 15.816 1.00 3.95 H new ATOM 0 HB THR A 40 48.129 -40.285 13.709 1.00 3.89 H new ATOM 0 HG1 THR A 40 49.067 -38.110 13.555 1.00 4.22 H new ATOM 0 HG21 THR A 40 47.704 -38.736 11.824 1.00 3.59 H new ATOM 0 HG22 THR A 40 46.304 -39.771 12.191 1.00 3.59 H new ATOM 0 HG23 THR A 40 46.313 -38.069 12.712 1.00 3.59 H new ATOM 517 N GLY A 41 45.117 -38.542 16.551 1.00 4.04 N ATOM 518 CA GLY A 41 44.375 -37.411 17.084 1.00 4.02 C ATOM 519 C GLY A 41 45.105 -36.086 16.952 1.00 3.78 C ATOM 520 O GLY A 41 44.495 -35.075 16.625 1.00 3.57 O ATOM 0 H GLY A 41 45.027 -39.402 17.092 1.00 4.04 H new ATOM 0 HA2 GLY A 41 43.417 -37.341 16.569 1.00 4.02 H new ATOM 0 HA3 GLY A 41 44.158 -37.593 18.137 1.00 4.02 H new ATOM 524 N VAL A 42 46.410 -36.086 17.197 1.00 3.86 N ATOM 525 CA VAL A 42 47.201 -34.862 17.097 1.00 3.76 C ATOM 526 C VAL A 42 47.095 -34.229 15.710 1.00 3.39 C ATOM 527 O VAL A 42 46.633 -33.094 15.569 1.00 3.25 O ATOM 528 CB VAL A 42 48.687 -35.114 17.434 1.00 3.99 C ATOM 529 CG1 VAL A 42 48.868 -35.311 18.933 1.00 4.39 C ATOM 530 CG2 VAL A 42 49.227 -36.314 16.662 1.00 4.39 C ATOM 0 H VAL A 42 46.942 -36.914 17.465 1.00 3.86 H new ATOM 0 HA VAL A 42 46.786 -34.170 17.830 1.00 3.76 H new ATOM 0 HB VAL A 42 49.258 -34.236 17.131 1.00 3.99 H new ATOM 0 HG11 VAL A 42 49.921 -35.487 19.152 1.00 4.39 H new ATOM 0 HG12 VAL A 42 48.532 -34.418 19.460 1.00 4.39 H new ATOM 0 HG13 VAL A 42 48.281 -36.169 19.261 1.00 4.39 H new ATOM 0 HG21 VAL A 42 50.275 -36.469 16.918 1.00 4.39 H new ATOM 0 HG22 VAL A 42 48.654 -37.203 16.924 1.00 4.39 H new ATOM 0 HG23 VAL A 42 49.138 -36.128 15.592 1.00 4.39 H new ATOM 540 N GLN A 43 47.514 -34.963 14.683 1.00 3.28 N ATOM 541 CA GLN A 43 47.448 -34.458 13.318 1.00 3.01 C ATOM 542 C GLN A 43 45.997 -34.289 12.896 1.00 2.82 C ATOM 543 O GLN A 43 45.678 -33.459 12.046 1.00 2.61 O ATOM 544 CB GLN A 43 48.172 -35.406 12.360 1.00 3.07 C ATOM 545 CG GLN A 43 49.676 -35.186 12.304 1.00 3.47 C ATOM 546 CD GLN A 43 50.057 -33.997 11.443 1.00 3.77 C ATOM 547 OE1 GLN A 43 49.997 -32.850 11.885 1.00 4.06 O ATOM 548 NE2 GLN A 43 50.449 -34.266 10.203 1.00 4.24 N ATOM 0 H GLN A 43 47.900 -35.903 14.770 1.00 3.28 H new ATOM 0 HA GLN A 43 47.943 -33.487 13.280 1.00 3.01 H new ATOM 0 HB2 GLN A 43 47.975 -36.435 12.662 1.00 3.07 H new ATOM 0 HB3 GLN A 43 47.758 -35.283 11.359 1.00 3.07 H new ATOM 0 HG2 GLN A 43 50.056 -35.035 13.315 1.00 3.47 H new ATOM 0 HG3 GLN A 43 50.157 -36.083 11.913 1.00 3.47 H new ATOM 0 HE21 GLN A 43 50.484 -35.232 9.877 1.00 4.24 H new ATOM 0 HE22 GLN A 43 50.715 -33.507 9.576 1.00 4.24 H new ATOM 557 N ASN A 44 45.126 -35.082 13.507 1.00 2.97 N ATOM 558 CA ASN A 44 43.702 -35.034 13.215 1.00 2.93 C ATOM 559 C ASN A 44 43.112 -33.699 13.655 1.00 2.82 C ATOM 560 O ASN A 44 42.343 -33.080 12.921 1.00 2.66 O ATOM 561 CB ASN A 44 42.977 -36.188 13.911 1.00 3.26 C ATOM 562 CG ASN A 44 41.579 -36.415 13.371 1.00 3.37 C ATOM 563 OD1 ASN A 44 41.133 -35.733 12.447 1.00 3.42 O ATOM 564 ND2 ASN A 44 40.878 -37.382 13.947 1.00 3.83 N ATOM 0 H ASN A 44 45.385 -35.771 14.213 1.00 2.97 H new ATOM 0 HA ASN A 44 43.567 -35.135 12.138 1.00 2.93 H new ATOM 0 HB2 ASN A 44 43.560 -37.101 13.792 1.00 3.26 H new ATOM 0 HB3 ASN A 44 42.920 -35.983 14.980 1.00 3.26 H new ATOM 0 HD21 ASN A 44 39.931 -37.585 13.627 1.00 3.83 H new ATOM 0 HD22 ASN A 44 41.286 -37.923 14.710 1.00 3.83 H new ATOM 571 N LEU A 45 43.487 -33.253 14.854 1.00 3.00 N ATOM 572 CA LEU A 45 42.999 -31.984 15.379 1.00 3.01 C ATOM 573 C LEU A 45 43.449 -30.843 14.478 1.00 2.73 C ATOM 574 O LEU A 45 42.632 -30.053 14.003 1.00 2.57 O ATOM 575 CB LEU A 45 43.503 -31.761 16.810 1.00 3.36 C ATOM 576 CG LEU A 45 42.942 -32.735 17.852 1.00 3.84 C ATOM 577 CD1 LEU A 45 43.923 -32.911 19.003 1.00 4.23 C ATOM 578 CD2 LEU A 45 41.594 -32.252 18.367 1.00 4.27 C ATOM 0 H LEU A 45 44.124 -33.751 15.475 1.00 3.00 H new ATOM 0 HA LEU A 45 41.910 -32.012 15.401 1.00 3.01 H new ATOM 0 HB2 LEU A 45 44.590 -31.836 16.812 1.00 3.36 H new ATOM 0 HB3 LEU A 45 43.253 -30.744 17.113 1.00 3.36 H new ATOM 0 HG LEU A 45 42.798 -33.703 17.373 1.00 3.84 H new ATOM 0 HD11 LEU A 45 43.507 -33.606 19.733 1.00 4.23 H new ATOM 0 HD12 LEU A 45 44.865 -33.306 18.621 1.00 4.23 H new ATOM 0 HD13 LEU A 45 44.101 -31.947 19.480 1.00 4.23 H new ATOM 0 HD21 LEU A 45 41.213 -32.957 19.106 1.00 4.27 H new ATOM 0 HD22 LEU A 45 41.711 -31.271 18.828 1.00 4.27 H new ATOM 0 HD23 LEU A 45 40.891 -32.181 17.537 1.00 4.27 H new ATOM 590 N ARG A 46 44.755 -30.770 14.234 1.00 2.73 N ATOM 591 CA ARG A 46 45.314 -29.733 13.376 1.00 2.59 C ATOM 592 C ARG A 46 44.646 -29.768 12.007 1.00 2.28 C ATOM 593 O ARG A 46 44.319 -28.727 11.436 1.00 2.17 O ATOM 594 CB ARG A 46 46.828 -29.914 13.235 1.00 2.76 C ATOM 595 CG ARG A 46 47.633 -28.716 13.723 1.00 2.97 C ATOM 596 CD ARG A 46 47.380 -28.433 15.198 1.00 3.51 C ATOM 597 NE ARG A 46 47.171 -29.659 15.966 1.00 4.06 N ATOM 598 CZ ARG A 46 48.144 -30.326 16.583 1.00 4.80 C ATOM 599 NH1 ARG A 46 49.395 -29.886 16.527 1.00 5.15 N ATOM 600 NH2 ARG A 46 47.866 -31.437 17.251 1.00 5.49 N ATOM 0 H ARG A 46 45.444 -31.416 14.619 1.00 2.73 H new ATOM 0 HA ARG A 46 45.124 -28.762 13.834 1.00 2.59 H new ATOM 0 HB2 ARG A 46 47.133 -30.799 13.794 1.00 2.76 H new ATOM 0 HB3 ARG A 46 47.067 -30.100 12.188 1.00 2.76 H new ATOM 0 HG2 ARG A 46 48.695 -28.902 13.565 1.00 2.97 H new ATOM 0 HG3 ARG A 46 47.372 -27.837 13.133 1.00 2.97 H new ATOM 0 HD2 ARG A 46 48.227 -27.887 15.612 1.00 3.51 H new ATOM 0 HD3 ARG A 46 46.506 -27.790 15.298 1.00 3.51 H new ATOM 0 HE ARG A 46 46.222 -30.026 16.033 1.00 4.06 H new ATOM 0 HH11 ARG A 46 49.613 -29.034 16.010 1.00 5.15 H new ATOM 0 HH12 ARG A 46 50.138 -30.400 17.001 1.00 5.15 H new ATOM 0 HH21 ARG A 46 46.907 -31.781 17.292 1.00 5.49 H new ATOM 0 HH22 ARG A 46 48.612 -31.948 17.724 1.00 5.49 H new ATOM 614 N LYS A 47 44.436 -30.977 11.492 1.00 2.24 N ATOM 615 CA LYS A 47 43.794 -31.161 10.197 1.00 2.12 C ATOM 616 C LYS A 47 42.397 -30.548 10.213 1.00 2.02 C ATOM 617 O LYS A 47 42.021 -29.812 9.300 1.00 1.89 O ATOM 618 CB LYS A 47 43.724 -32.655 9.848 1.00 2.32 C ATOM 619 CG LYS A 47 42.494 -33.053 9.044 1.00 2.70 C ATOM 620 CD LYS A 47 42.661 -34.419 8.391 1.00 3.12 C ATOM 621 CE LYS A 47 42.284 -35.549 9.340 1.00 3.66 C ATOM 622 NZ LYS A 47 40.808 -35.693 9.479 1.00 4.30 N ATOM 0 H LYS A 47 44.703 -31.846 11.955 1.00 2.24 H new ATOM 0 HA LYS A 47 44.386 -30.656 9.433 1.00 2.12 H new ATOM 0 HB2 LYS A 47 44.616 -32.927 9.284 1.00 2.32 H new ATOM 0 HB3 LYS A 47 43.743 -33.233 10.772 1.00 2.32 H new ATOM 0 HG2 LYS A 47 41.622 -33.067 9.698 1.00 2.70 H new ATOM 0 HG3 LYS A 47 42.304 -32.304 8.275 1.00 2.70 H new ATOM 0 HD2 LYS A 47 42.040 -34.473 7.497 1.00 3.12 H new ATOM 0 HD3 LYS A 47 43.695 -34.544 8.069 1.00 3.12 H new ATOM 0 HE2 LYS A 47 42.707 -36.485 8.975 1.00 3.66 H new ATOM 0 HE3 LYS A 47 42.724 -35.361 10.320 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 40.583 -36.059 10.426 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 40.355 -34.766 9.349 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 40.454 -36.355 8.759 1.00 4.30 H new ATOM 636 N LYS A 48 41.638 -30.847 11.263 1.00 2.17 N ATOM 637 CA LYS A 48 40.288 -30.315 11.407 1.00 2.20 C ATOM 638 C LYS A 48 40.324 -28.792 11.374 1.00 2.02 C ATOM 639 O LYS A 48 39.639 -28.161 10.569 1.00 1.90 O ATOM 640 CB LYS A 48 39.653 -30.801 12.716 1.00 2.54 C ATOM 641 CG LYS A 48 38.549 -31.829 12.517 1.00 3.02 C ATOM 642 CD LYS A 48 39.101 -33.155 12.011 1.00 3.19 C ATOM 643 CE LYS A 48 38.013 -34.213 11.907 1.00 3.73 C ATOM 644 NZ LYS A 48 37.582 -34.697 13.245 1.00 4.17 N ATOM 0 H LYS A 48 41.935 -31.455 12.026 1.00 2.17 H new ATOM 0 HA LYS A 48 39.681 -30.675 10.576 1.00 2.20 H new ATOM 0 HB2 LYS A 48 40.429 -31.233 13.347 1.00 2.54 H new ATOM 0 HB3 LYS A 48 39.246 -29.944 13.252 1.00 2.54 H new ATOM 0 HG2 LYS A 48 38.025 -31.988 13.460 1.00 3.02 H new ATOM 0 HG3 LYS A 48 37.817 -31.444 11.807 1.00 3.02 H new ATOM 0 HD2 LYS A 48 39.561 -33.009 11.034 1.00 3.19 H new ATOM 0 HD3 LYS A 48 39.885 -33.504 12.684 1.00 3.19 H new ATOM 0 HE2 LYS A 48 37.155 -33.801 11.376 1.00 3.73 H new ATOM 0 HE3 LYS A 48 38.379 -35.053 11.317 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 37.561 -35.737 13.248 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 38.251 -34.362 13.967 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 36.632 -34.331 13.457 1.00 4.17 H new ATOM 658 N HIS A 49 41.148 -28.207 12.241 1.00 2.10 N ATOM 659 CA HIS A 49 41.291 -26.756 12.304 1.00 2.10 C ATOM 660 C HIS A 49 41.571 -26.192 10.913 1.00 1.82 C ATOM 661 O HIS A 49 40.942 -25.225 10.483 1.00 1.72 O ATOM 662 CB HIS A 49 42.422 -26.375 13.270 1.00 2.37 C ATOM 663 CG HIS A 49 43.169 -25.137 12.870 1.00 2.66 C ATOM 664 ND1 HIS A 49 44.128 -25.108 11.882 1.00 2.97 N ATOM 665 CD2 HIS A 49 43.075 -23.867 13.339 1.00 3.22 C ATOM 666 CE1 HIS A 49 44.577 -23.849 11.784 1.00 3.47 C ATOM 667 NE2 HIS A 49 43.969 -23.057 12.646 1.00 3.60 N ATOM 0 H HIS A 49 41.726 -28.716 12.909 1.00 2.10 H new ATOM 0 HA HIS A 49 40.359 -26.329 12.673 1.00 2.10 H new ATOM 0 HB2 HIS A 49 42.003 -26.229 14.266 1.00 2.37 H new ATOM 0 HB3 HIS A 49 43.124 -27.206 13.338 1.00 2.37 H new ATOM 0 HD2 HIS A 49 42.412 -23.538 14.125 1.00 3.22 H new ATOM 0 HE1 HIS A 49 45.338 -23.525 11.089 1.00 3.47 H new ATOM 0 HE2 HIS A 49 44.123 -22.057 12.777 1.00 3.60 H new ATOM 675 N LYS A 50 42.519 -26.813 10.212 1.00 1.76 N ATOM 676 CA LYS A 50 42.883 -26.386 8.868 1.00 1.67 C ATOM 677 C LYS A 50 41.651 -26.334 7.975 1.00 1.49 C ATOM 678 O LYS A 50 41.445 -25.369 7.242 1.00 1.46 O ATOM 679 CB LYS A 50 43.927 -27.335 8.270 1.00 1.79 C ATOM 680 CG LYS A 50 44.952 -26.642 7.381 1.00 2.13 C ATOM 681 CD LYS A 50 44.897 -27.154 5.948 1.00 2.64 C ATOM 682 CE LYS A 50 43.667 -26.644 5.212 1.00 3.07 C ATOM 683 NZ LYS A 50 43.571 -25.160 5.247 1.00 3.17 N ATOM 0 H LYS A 50 43.048 -27.614 10.556 1.00 1.76 H new ATOM 0 HA LYS A 50 43.313 -25.386 8.929 1.00 1.67 H new ATOM 0 HB2 LYS A 50 44.448 -27.844 9.081 1.00 1.79 H new ATOM 0 HB3 LYS A 50 43.416 -28.102 7.689 1.00 1.79 H new ATOM 0 HG2 LYS A 50 44.773 -25.567 7.390 1.00 2.13 H new ATOM 0 HG3 LYS A 50 45.951 -26.802 7.786 1.00 2.13 H new ATOM 0 HD2 LYS A 50 45.795 -26.841 5.415 1.00 2.64 H new ATOM 0 HD3 LYS A 50 44.892 -28.244 5.951 1.00 2.64 H new ATOM 0 HE2 LYS A 50 43.699 -26.981 4.176 1.00 3.07 H new ATOM 0 HE3 LYS A 50 42.772 -27.076 5.660 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 43.312 -24.807 4.304 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 42.845 -24.875 5.935 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 44.489 -24.759 5.527 1.00 3.17 H new ATOM 697 N ARG A 51 40.827 -27.376 8.052 1.00 1.50 N ATOM 698 CA ARG A 51 39.606 -27.441 7.259 1.00 1.50 C ATOM 699 C ARG A 51 38.703 -26.261 7.595 1.00 1.38 C ATOM 700 O ARG A 51 38.117 -25.642 6.713 1.00 1.27 O ATOM 701 CB ARG A 51 38.867 -28.759 7.516 1.00 1.77 C ATOM 702 CG ARG A 51 37.677 -28.988 6.595 1.00 2.17 C ATOM 703 CD ARG A 51 36.410 -29.312 7.375 1.00 2.52 C ATOM 704 NE ARG A 51 36.468 -30.636 7.992 1.00 2.87 N ATOM 705 CZ ARG A 51 35.396 -31.313 8.403 1.00 3.47 C ATOM 706 NH1 ARG A 51 34.187 -30.780 8.281 1.00 3.79 N ATOM 707 NH2 ARG A 51 35.529 -32.520 8.935 1.00 4.13 N ATOM 0 H ARG A 51 40.983 -28.184 8.654 1.00 1.50 H new ATOM 0 HA ARG A 51 39.874 -27.395 6.204 1.00 1.50 H new ATOM 0 HB2 ARG A 51 39.568 -29.586 7.400 1.00 1.77 H new ATOM 0 HB3 ARG A 51 38.522 -28.775 8.550 1.00 1.77 H new ATOM 0 HG2 ARG A 51 37.512 -28.098 5.987 1.00 2.17 H new ATOM 0 HG3 ARG A 51 37.900 -29.805 5.909 1.00 2.17 H new ATOM 0 HD2 ARG A 51 36.258 -28.559 8.148 1.00 2.52 H new ATOM 0 HD3 ARG A 51 35.550 -29.261 6.707 1.00 2.52 H new ATOM 0 HE ARG A 51 37.384 -31.068 8.115 1.00 2.87 H new ATOM 0 HH11 ARG A 51 34.078 -29.852 7.873 1.00 3.79 H new ATOM 0 HH12 ARG A 51 33.367 -31.299 8.596 1.00 3.79 H new ATOM 0 HH21 ARG A 51 36.456 -32.935 9.032 1.00 4.13 H new ATOM 0 HH22 ARG A 51 34.705 -33.033 9.248 1.00 4.13 H new ATOM 721 N LEU A 52 38.617 -25.954 8.884 1.00 1.51 N ATOM 722 CA LEU A 52 37.804 -24.841 9.360 1.00 1.55 C ATOM 723 C LEU A 52 38.255 -23.536 8.713 1.00 1.33 C ATOM 724 O LEU A 52 37.466 -22.842 8.068 1.00 1.22 O ATOM 725 CB LEU A 52 37.905 -24.741 10.885 1.00 1.88 C ATOM 726 CG LEU A 52 36.735 -24.040 11.582 1.00 2.21 C ATOM 727 CD1 LEU A 52 36.720 -24.381 13.066 1.00 2.58 C ATOM 728 CD2 LEU A 52 36.812 -22.534 11.376 1.00 2.90 C ATOM 0 H LEU A 52 39.103 -26.463 9.622 1.00 1.51 H new ATOM 0 HA LEU A 52 36.765 -25.019 9.083 1.00 1.55 H new ATOM 0 HB2 LEU A 52 37.996 -25.748 11.292 1.00 1.88 H new ATOM 0 HB3 LEU A 52 38.824 -24.211 11.136 1.00 1.88 H new ATOM 0 HG LEU A 52 35.805 -24.396 11.138 1.00 2.21 H new ATOM 0 HD11 LEU A 52 35.883 -23.875 13.547 1.00 2.58 H new ATOM 0 HD12 LEU A 52 36.613 -25.459 13.191 1.00 2.58 H new ATOM 0 HD13 LEU A 52 37.653 -24.054 13.524 1.00 2.58 H new ATOM 0 HD21 LEU A 52 35.972 -22.055 11.879 1.00 2.90 H new ATOM 0 HD22 LEU A 52 37.747 -22.157 11.791 1.00 2.90 H new ATOM 0 HD23 LEU A 52 36.772 -22.310 10.310 1.00 2.90 H new ATOM 740 N GLU A 53 39.535 -23.214 8.879 1.00 1.38 N ATOM 741 CA GLU A 53 40.098 -21.998 8.306 1.00 1.39 C ATOM 742 C GLU A 53 39.857 -21.960 6.799 1.00 1.16 C ATOM 743 O GLU A 53 39.435 -20.939 6.258 1.00 1.13 O ATOM 744 CB GLU A 53 41.597 -21.906 8.636 1.00 1.66 C ATOM 745 CG GLU A 53 42.474 -21.408 7.491 1.00 2.20 C ATOM 746 CD GLU A 53 43.064 -22.542 6.673 1.00 2.62 C ATOM 747 OE1 GLU A 53 43.779 -23.385 7.255 1.00 3.08 O ATOM 748 OE2 GLU A 53 42.810 -22.589 5.451 1.00 3.17 O ATOM 0 H GLU A 53 40.201 -23.779 9.406 1.00 1.38 H new ATOM 0 HA GLU A 53 39.601 -21.133 8.744 1.00 1.39 H new ATOM 0 HB2 GLU A 53 41.727 -21.241 9.490 1.00 1.66 H new ATOM 0 HB3 GLU A 53 41.949 -22.891 8.942 1.00 1.66 H new ATOM 0 HG2 GLU A 53 41.884 -20.764 6.840 1.00 2.20 H new ATOM 0 HG3 GLU A 53 43.282 -20.798 7.895 1.00 2.20 H new ATOM 755 N ALA A 54 40.113 -23.081 6.130 1.00 1.13 N ATOM 756 CA ALA A 54 39.905 -23.172 4.690 1.00 1.16 C ATOM 757 C ALA A 54 38.457 -22.844 4.346 1.00 0.99 C ATOM 758 O ALA A 54 38.185 -22.049 3.447 1.00 1.03 O ATOM 759 CB ALA A 54 40.273 -24.561 4.189 1.00 1.35 C ATOM 0 H ALA A 54 40.464 -23.936 6.562 1.00 1.13 H new ATOM 0 HA ALA A 54 40.551 -22.447 4.196 1.00 1.16 H new ATOM 0 HB1 ALA A 54 40.112 -24.614 3.112 1.00 1.35 H new ATOM 0 HB2 ALA A 54 41.321 -24.762 4.410 1.00 1.35 H new ATOM 0 HB3 ALA A 54 39.649 -25.304 4.686 1.00 1.35 H new ATOM 765 N GLU A 55 37.534 -23.454 5.082 1.00 0.99 N ATOM 766 CA GLU A 55 36.112 -23.228 4.875 1.00 1.06 C ATOM 767 C GLU A 55 35.786 -21.740 4.922 1.00 0.88 C ATOM 768 O GLU A 55 35.209 -21.194 3.983 1.00 0.90 O ATOM 769 CB GLU A 55 35.297 -23.975 5.935 1.00 1.35 C ATOM 770 CG GLU A 55 34.230 -24.886 5.348 1.00 1.84 C ATOM 771 CD GLU A 55 34.495 -25.256 3.900 1.00 1.93 C ATOM 772 OE1 GLU A 55 35.666 -25.528 3.556 1.00 2.60 O ATOM 773 OE2 GLU A 55 33.531 -25.277 3.107 1.00 2.20 O ATOM 0 H GLU A 55 37.749 -24.112 5.831 1.00 0.99 H new ATOM 0 HA GLU A 55 35.848 -23.608 3.888 1.00 1.06 H new ATOM 0 HB2 GLU A 55 35.973 -24.569 6.550 1.00 1.35 H new ATOM 0 HB3 GLU A 55 34.821 -23.249 6.595 1.00 1.35 H new ATOM 0 HG2 GLU A 55 34.170 -25.796 5.944 1.00 1.84 H new ATOM 0 HG3 GLU A 55 33.260 -24.393 5.419 1.00 1.84 H new ATOM 780 N LEU A 56 36.156 -21.091 6.023 1.00 0.90 N ATOM 781 CA LEU A 56 35.896 -19.666 6.195 1.00 0.98 C ATOM 782 C LEU A 56 36.561 -18.848 5.092 1.00 0.91 C ATOM 783 O LEU A 56 36.004 -17.857 4.618 1.00 0.99 O ATOM 784 CB LEU A 56 36.389 -19.199 7.567 1.00 1.26 C ATOM 785 CG LEU A 56 35.345 -18.474 8.422 1.00 2.02 C ATOM 786 CD1 LEU A 56 34.362 -19.467 9.027 1.00 2.55 C ATOM 787 CD2 LEU A 56 36.024 -17.661 9.515 1.00 2.67 C ATOM 0 H LEU A 56 36.636 -21.530 6.809 1.00 0.90 H new ATOM 0 HA LEU A 56 34.819 -19.510 6.131 1.00 0.98 H new ATOM 0 HB2 LEU A 56 36.750 -20.066 8.120 1.00 1.26 H new ATOM 0 HB3 LEU A 56 37.242 -18.535 7.423 1.00 1.26 H new ATOM 0 HG LEU A 56 34.789 -17.792 7.779 1.00 2.02 H new ATOM 0 HD11 LEU A 56 33.629 -18.932 9.630 1.00 2.55 H new ATOM 0 HD12 LEU A 56 33.851 -20.005 8.229 1.00 2.55 H new ATOM 0 HD13 LEU A 56 34.901 -20.176 9.655 1.00 2.55 H new ATOM 0 HD21 LEU A 56 35.268 -17.152 10.113 1.00 2.67 H new ATOM 0 HD22 LEU A 56 36.606 -18.325 10.154 1.00 2.67 H new ATOM 0 HD23 LEU A 56 36.685 -16.922 9.062 1.00 2.67 H new ATOM 799 N ALA A 57 37.757 -19.265 4.694 1.00 0.92 N ATOM 800 CA ALA A 57 38.499 -18.571 3.652 1.00 1.14 C ATOM 801 C ALA A 57 37.738 -18.598 2.331 1.00 1.08 C ATOM 802 O ALA A 57 37.742 -17.623 1.586 1.00 1.22 O ATOM 803 CB ALA A 57 39.879 -19.187 3.488 1.00 1.37 C ATOM 0 H ALA A 57 38.233 -20.081 5.078 1.00 0.92 H new ATOM 0 HA ALA A 57 38.616 -17.529 3.951 1.00 1.14 H new ATOM 0 HB1 ALA A 57 40.423 -18.658 2.705 1.00 1.37 H new ATOM 0 HB2 ALA A 57 40.427 -19.108 4.427 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.778 -20.237 3.214 1.00 1.37 H new ATOM 809 N ALA A 58 37.092 -19.725 2.048 1.00 1.03 N ATOM 810 CA ALA A 58 36.330 -19.890 0.814 1.00 1.19 C ATOM 811 C ALA A 58 34.950 -19.240 0.908 1.00 1.03 C ATOM 812 O ALA A 58 34.359 -18.876 -0.110 1.00 1.17 O ATOM 813 CB ALA A 58 36.192 -21.368 0.481 1.00 1.43 C ATOM 0 H ALA A 58 37.081 -20.541 2.660 1.00 1.03 H new ATOM 0 HA ALA A 58 36.877 -19.388 0.016 1.00 1.19 H new ATOM 0 HB1 ALA A 58 35.622 -21.482 -0.441 1.00 1.43 H new ATOM 0 HB2 ALA A 58 37.182 -21.806 0.352 1.00 1.43 H new ATOM 0 HB3 ALA A 58 35.673 -21.877 1.293 1.00 1.43 H new ATOM 819 N HIS A 59 34.434 -19.116 2.128 1.00 0.87 N ATOM 820 CA HIS A 59 33.122 -18.524 2.347 1.00 0.90 C ATOM 821 C HIS A 59 33.156 -17.020 2.139 1.00 0.80 C ATOM 822 O HIS A 59 32.225 -16.444 1.582 1.00 0.89 O ATOM 823 CB HIS A 59 32.625 -18.819 3.763 1.00 1.13 C ATOM 824 CG HIS A 59 32.071 -20.195 3.937 1.00 1.46 C ATOM 825 ND1 HIS A 59 32.712 -21.194 4.633 1.00 2.16 N ATOM 826 CD2 HIS A 59 30.901 -20.729 3.506 1.00 1.68 C ATOM 827 CE1 HIS A 59 31.934 -22.280 4.605 1.00 2.61 C ATOM 828 NE2 HIS A 59 30.826 -22.052 3.935 1.00 2.36 N ATOM 0 H HIS A 59 34.907 -19.419 2.980 1.00 0.87 H new ATOM 0 HA HIS A 59 32.441 -18.968 1.621 1.00 0.90 H new ATOM 0 HB2 HIS A 59 33.449 -18.679 4.463 1.00 1.13 H new ATOM 0 HB3 HIS A 59 31.856 -18.093 4.026 1.00 1.13 H new ATOM 0 HD1 HIS A 59 33.621 -21.119 5.090 1.00 2.16 H new ATOM 0 HD2 HIS A 59 30.151 -20.213 2.925 1.00 1.68 H new ATOM 0 HE1 HIS A 59 32.183 -23.222 5.072 1.00 2.61 H new ATOM 836 N GLU A 60 34.216 -16.385 2.621 1.00 0.87 N ATOM 837 CA GLU A 60 34.348 -14.941 2.512 1.00 1.09 C ATOM 838 C GLU A 60 34.197 -14.471 1.063 1.00 1.11 C ATOM 839 O GLU A 60 33.294 -13.698 0.762 1.00 1.12 O ATOM 840 CB GLU A 60 35.683 -14.480 3.109 1.00 1.39 C ATOM 841 CG GLU A 60 35.572 -14.015 4.553 1.00 1.92 C ATOM 842 CD GLU A 60 35.177 -15.137 5.500 1.00 2.39 C ATOM 843 OE1 GLU A 60 34.009 -15.580 5.443 1.00 2.70 O ATOM 844 OE2 GLU A 60 36.035 -15.575 6.294 1.00 3.01 O ATOM 0 H GLU A 60 34.995 -16.847 3.090 1.00 0.87 H new ATOM 0 HA GLU A 60 33.540 -14.484 3.084 1.00 1.09 H new ATOM 0 HB2 GLU A 60 36.399 -15.300 3.053 1.00 1.39 H new ATOM 0 HB3 GLU A 60 36.082 -13.666 2.503 1.00 1.39 H new ATOM 0 HG2 GLU A 60 36.527 -13.596 4.870 1.00 1.92 H new ATOM 0 HG3 GLU A 60 34.835 -13.214 4.617 1.00 1.92 H new ATOM 851 N PRO A 61 35.077 -14.912 0.144 1.00 1.23 N ATOM 852 CA PRO A 61 35.007 -14.505 -1.265 1.00 1.42 C ATOM 853 C PRO A 61 33.664 -14.838 -1.911 1.00 1.32 C ATOM 854 O PRO A 61 33.038 -13.984 -2.537 1.00 1.44 O ATOM 855 CB PRO A 61 36.123 -15.315 -1.934 1.00 1.60 C ATOM 856 CG PRO A 61 37.060 -15.661 -0.831 1.00 1.59 C ATOM 857 CD PRO A 61 36.212 -15.815 0.399 1.00 1.29 C ATOM 0 HA PRO A 61 35.116 -13.426 -1.371 1.00 1.42 H new ATOM 0 HB2 PRO A 61 35.728 -16.211 -2.412 1.00 1.60 H new ATOM 0 HB3 PRO A 61 36.623 -14.734 -2.709 1.00 1.60 H new ATOM 0 HG2 PRO A 61 37.599 -16.583 -1.051 1.00 1.59 H new ATOM 0 HG3 PRO A 61 37.807 -14.880 -0.694 1.00 1.59 H new ATOM 0 HD2 PRO A 61 35.883 -16.845 0.535 1.00 1.29 H new ATOM 0 HD3 PRO A 61 36.756 -15.533 1.300 1.00 1.29 H new ATOM 865 N ALA A 62 33.242 -16.093 -1.771 1.00 1.18 N ATOM 866 CA ALA A 62 31.985 -16.558 -2.357 1.00 1.22 C ATOM 867 C ALA A 62 30.798 -15.708 -1.914 1.00 1.00 C ATOM 868 O ALA A 62 30.015 -15.232 -2.739 1.00 1.06 O ATOM 869 CB ALA A 62 31.747 -18.017 -1.990 1.00 1.31 C ATOM 0 H ALA A 62 33.754 -16.809 -1.255 1.00 1.18 H new ATOM 0 HA ALA A 62 32.072 -16.462 -3.439 1.00 1.22 H new ATOM 0 HB1 ALA A 62 30.809 -18.355 -2.431 1.00 1.31 H new ATOM 0 HB2 ALA A 62 32.567 -18.626 -2.371 1.00 1.31 H new ATOM 0 HB3 ALA A 62 31.695 -18.116 -0.906 1.00 1.31 H new ATOM 875 N ILE A 63 30.662 -15.539 -0.607 1.00 0.82 N ATOM 876 CA ILE A 63 29.565 -14.767 -0.037 1.00 0.73 C ATOM 877 C ILE A 63 29.692 -13.287 -0.386 1.00 0.73 C ATOM 878 O ILE A 63 28.780 -12.699 -0.970 1.00 0.73 O ATOM 879 CB ILE A 63 29.509 -14.938 1.502 1.00 0.79 C ATOM 880 CG1 ILE A 63 28.828 -16.265 1.888 1.00 1.08 C ATOM 881 CG2 ILE A 63 28.793 -13.762 2.153 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.276 -17.457 1.065 1.00 0.67 C ATOM 0 H ILE A 63 31.303 -15.929 0.084 1.00 0.82 H new ATOM 0 HA ILE A 63 28.640 -15.149 -0.469 1.00 0.73 H new ATOM 0 HB ILE A 63 30.534 -14.963 1.871 1.00 0.79 H new ATOM 0 HG12 ILE A 63 29.026 -16.469 2.940 1.00 1.08 H new ATOM 0 HG13 ILE A 63 27.749 -16.150 1.783 1.00 1.08 H new ATOM 0 HG21 ILE A 63 28.766 -13.905 3.233 1.00 0.96 H new ATOM 0 HG22 ILE A 63 29.325 -12.839 1.922 1.00 0.96 H new ATOM 0 HG23 ILE A 63 27.774 -13.699 1.770 1.00 0.96 H new ATOM 0 HD11 ILE A 63 28.749 -18.350 1.401 1.00 0.67 H new ATOM 0 HD12 ILE A 63 29.052 -17.278 0.013 1.00 0.67 H new ATOM 0 HD13 ILE A 63 30.349 -17.602 1.188 1.00 0.67 H new ATOM 894 N GLN A 64 30.822 -12.689 -0.015 1.00 0.83 N ATOM 895 CA GLN A 64 31.061 -11.275 -0.286 1.00 0.95 C ATOM 896 C GLN A 64 30.716 -10.938 -1.730 1.00 0.95 C ATOM 897 O GLN A 64 30.005 -9.975 -1.990 1.00 0.92 O ATOM 898 CB GLN A 64 32.519 -10.904 0.004 1.00 1.17 C ATOM 899 CG GLN A 64 32.759 -10.423 1.429 1.00 1.62 C ATOM 900 CD GLN A 64 32.043 -11.267 2.472 1.00 2.58 C ATOM 901 OE1 GLN A 64 32.717 -12.298 2.961 1.00 3.24 O flip ATOM 902 NE2 GLN A 64 30.900 -10.991 2.835 1.00 3.27 N flip ATOM 0 H GLN A 64 31.584 -13.161 0.473 1.00 0.83 H new ATOM 0 HA GLN A 64 30.416 -10.694 0.373 1.00 0.95 H new ATOM 0 HB2 GLN A 64 33.150 -11.772 -0.188 1.00 1.17 H new ATOM 0 HB3 GLN A 64 32.831 -10.124 -0.690 1.00 1.17 H new ATOM 0 HG2 GLN A 64 33.829 -10.434 1.634 1.00 1.62 H new ATOM 0 HG3 GLN A 64 32.428 -9.388 1.518 1.00 1.62 H new ATOM 0 HE21 GLN A 64 30.417 -10.188 2.432 1.00 3.27 H new ATOM 0 HE22 GLN A 64 30.436 -11.565 3.538 1.00 3.27 H new ATOM 911 N GLY A 65 31.220 -11.741 -2.664 1.00 1.05 N ATOM 912 CA GLY A 65 30.941 -11.507 -4.068 1.00 1.14 C ATOM 913 C GLY A 65 29.475 -11.217 -4.322 1.00 0.94 C ATOM 914 O GLY A 65 29.130 -10.181 -4.891 1.00 0.94 O ATOM 0 H GLY A 65 31.815 -12.547 -2.473 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.541 -10.669 -4.421 1.00 1.14 H new ATOM 0 HA3 GLY A 65 31.242 -12.380 -4.647 1.00 1.14 H new ATOM 918 N VAL A 66 28.606 -12.125 -3.883 1.00 0.83 N ATOM 919 CA VAL A 66 27.169 -11.941 -4.069 1.00 0.72 C ATOM 920 C VAL A 66 26.697 -10.651 -3.402 1.00 0.59 C ATOM 921 O VAL A 66 26.021 -9.826 -4.021 1.00 0.56 O ATOM 922 CB VAL A 66 26.378 -13.142 -3.506 1.00 0.77 C ATOM 923 CG1 VAL A 66 24.878 -12.919 -3.632 1.00 1.22 C ATOM 924 CG2 VAL A 66 26.801 -14.430 -4.203 1.00 1.46 C ATOM 0 H VAL A 66 28.867 -12.985 -3.402 1.00 0.83 H new ATOM 0 HA VAL A 66 26.981 -11.873 -5.141 1.00 0.72 H new ATOM 0 HB VAL A 66 26.608 -13.235 -2.445 1.00 0.77 H new ATOM 0 HG11 VAL A 66 24.347 -13.781 -3.228 1.00 1.22 H new ATOM 0 HG12 VAL A 66 24.595 -12.025 -3.076 1.00 1.22 H new ATOM 0 HG13 VAL A 66 24.616 -12.792 -4.682 1.00 1.22 H new ATOM 0 HG21 VAL A 66 26.235 -15.267 -3.795 1.00 1.46 H new ATOM 0 HG22 VAL A 66 26.606 -14.346 -5.272 1.00 1.46 H new ATOM 0 HG23 VAL A 66 27.866 -14.599 -4.041 1.00 1.46 H new ATOM 934 N LEU A 67 27.073 -10.475 -2.140 1.00 0.58 N ATOM 935 CA LEU A 67 26.700 -9.282 -1.386 1.00 0.62 C ATOM 936 C LEU A 67 27.062 -8.015 -2.159 1.00 0.69 C ATOM 937 O LEU A 67 26.220 -7.146 -2.369 1.00 0.71 O ATOM 938 CB LEU A 67 27.386 -9.282 -0.017 1.00 0.74 C ATOM 939 CG LEU A 67 26.669 -8.472 1.069 1.00 1.29 C ATOM 940 CD1 LEU A 67 26.933 -9.073 2.444 1.00 1.90 C ATOM 941 CD2 LEU A 67 27.106 -7.014 1.027 1.00 2.13 C ATOM 0 H LEU A 67 27.637 -11.144 -1.616 1.00 0.58 H new ATOM 0 HA LEU A 67 25.620 -9.296 -1.238 1.00 0.62 H new ATOM 0 HB2 LEU A 67 27.482 -10.313 0.324 1.00 0.74 H new ATOM 0 HB3 LEU A 67 28.396 -8.890 -0.134 1.00 0.74 H new ATOM 0 HG LEU A 67 25.597 -8.512 0.877 1.00 1.29 H new ATOM 0 HD11 LEU A 67 26.417 -8.486 3.203 1.00 1.90 H new ATOM 0 HD12 LEU A 67 26.567 -10.100 2.469 1.00 1.90 H new ATOM 0 HD13 LEU A 67 28.004 -9.064 2.645 1.00 1.90 H new ATOM 0 HD21 LEU A 67 26.586 -6.456 1.805 1.00 2.13 H new ATOM 0 HD22 LEU A 67 28.182 -6.952 1.193 1.00 2.13 H new ATOM 0 HD23 LEU A 67 26.864 -6.589 0.053 1.00 2.13 H new ATOM 953 N ASP A 68 28.319 -7.922 -2.581 1.00 0.79 N ATOM 954 CA ASP A 68 28.794 -6.768 -3.337 1.00 0.94 C ATOM 955 C ASP A 68 27.884 -6.495 -4.529 1.00 0.86 C ATOM 956 O ASP A 68 27.456 -5.360 -4.744 1.00 0.91 O ATOM 957 CB ASP A 68 30.231 -6.993 -3.817 1.00 1.12 C ATOM 958 CG ASP A 68 30.768 -5.808 -4.596 1.00 1.55 C ATOM 959 OD1 ASP A 68 31.316 -4.880 -3.964 1.00 2.04 O ATOM 960 OD2 ASP A 68 30.633 -5.803 -5.837 1.00 2.24 O ATOM 0 H ASP A 68 29.029 -8.634 -2.412 1.00 0.79 H new ATOM 0 HA ASP A 68 28.776 -5.901 -2.677 1.00 0.94 H new ATOM 0 HB2 ASP A 68 30.874 -7.182 -2.957 1.00 1.12 H new ATOM 0 HB3 ASP A 68 30.267 -7.884 -4.444 1.00 1.12 H new ATOM 965 N THR A 69 27.590 -7.538 -5.304 1.00 0.80 N ATOM 966 CA THR A 69 26.725 -7.399 -6.469 1.00 0.80 C ATOM 967 C THR A 69 25.362 -6.848 -6.060 1.00 0.67 C ATOM 968 O THR A 69 24.882 -5.866 -6.629 1.00 0.73 O ATOM 969 CB THR A 69 26.558 -8.745 -7.177 1.00 0.86 C ATOM 970 OG1 THR A 69 27.789 -9.443 -7.218 1.00 1.02 O ATOM 971 CG2 THR A 69 26.055 -8.613 -8.599 1.00 0.94 C ATOM 0 H THR A 69 27.938 -8.484 -5.145 1.00 0.80 H new ATOM 0 HA THR A 69 27.192 -6.697 -7.160 1.00 0.80 H new ATOM 0 HB THR A 69 25.814 -9.290 -6.596 1.00 0.86 H new ATOM 0 HG1 THR A 69 28.022 -9.749 -6.317 1.00 1.02 H new ATOM 0 HG21 THR A 69 25.959 -9.603 -9.044 1.00 0.94 H new ATOM 0 HG22 THR A 69 25.083 -8.120 -8.597 1.00 0.94 H new ATOM 0 HG23 THR A 69 26.761 -8.021 -9.181 1.00 0.94 H new ATOM 979 N GLY A 70 24.737 -7.484 -5.067 1.00 0.57 N ATOM 980 CA GLY A 70 23.440 -7.023 -4.601 1.00 0.59 C ATOM 981 C GLY A 70 23.485 -5.578 -4.151 1.00 0.69 C ATOM 982 O GLY A 70 22.548 -4.815 -4.389 1.00 0.79 O ATOM 0 H GLY A 70 25.104 -8.303 -4.582 1.00 0.57 H new ATOM 0 HA2 GLY A 70 22.707 -7.132 -5.400 1.00 0.59 H new ATOM 0 HA3 GLY A 70 23.107 -7.651 -3.775 1.00 0.59 H new ATOM 986 N LYS A 71 24.583 -5.194 -3.507 1.00 0.76 N ATOM 987 CA LYS A 71 24.752 -3.825 -3.041 1.00 0.94 C ATOM 988 C LYS A 71 24.788 -2.878 -4.233 1.00 0.99 C ATOM 989 O LYS A 71 24.292 -1.760 -4.158 1.00 1.12 O ATOM 990 CB LYS A 71 26.042 -3.689 -2.223 1.00 1.05 C ATOM 991 CG LYS A 71 26.480 -2.245 -2.013 1.00 1.35 C ATOM 992 CD LYS A 71 27.808 -2.157 -1.275 1.00 1.91 C ATOM 993 CE LYS A 71 28.612 -0.938 -1.709 1.00 2.53 C ATOM 994 NZ LYS A 71 27.737 0.175 -2.180 1.00 3.25 N ATOM 0 H LYS A 71 25.367 -5.812 -3.297 1.00 0.76 H new ATOM 0 HA LYS A 71 23.909 -3.566 -2.400 1.00 0.94 H new ATOM 0 HB2 LYS A 71 25.898 -4.161 -1.251 1.00 1.05 H new ATOM 0 HB3 LYS A 71 26.841 -4.233 -2.727 1.00 1.05 H new ATOM 0 HG2 LYS A 71 26.568 -1.748 -2.979 1.00 1.35 H new ATOM 0 HG3 LYS A 71 25.715 -1.712 -1.449 1.00 1.35 H new ATOM 0 HD2 LYS A 71 27.626 -2.110 -0.201 1.00 1.91 H new ATOM 0 HD3 LYS A 71 28.388 -3.061 -1.460 1.00 1.91 H new ATOM 0 HE2 LYS A 71 29.221 -0.591 -0.875 1.00 2.53 H new ATOM 0 HE3 LYS A 71 29.297 -1.222 -2.508 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 28.214 1.085 -2.016 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 27.548 0.062 -3.196 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 26.838 0.155 -1.657 1.00 3.25 H new ATOM 1008 N LYS A 72 25.376 -3.339 -5.335 1.00 0.95 N ATOM 1009 CA LYS A 72 25.463 -2.530 -6.545 1.00 1.08 C ATOM 1010 C LYS A 72 24.064 -2.162 -7.028 1.00 1.06 C ATOM 1011 O LYS A 72 23.784 -1.001 -7.330 1.00 1.26 O ATOM 1012 CB LYS A 72 26.230 -3.274 -7.643 1.00 1.14 C ATOM 1013 CG LYS A 72 27.555 -2.617 -8.009 1.00 1.49 C ATOM 1014 CD LYS A 72 28.713 -3.607 -7.981 1.00 2.07 C ATOM 1015 CE LYS A 72 29.835 -3.129 -7.073 1.00 2.89 C ATOM 1016 NZ LYS A 72 29.467 -3.228 -5.633 1.00 3.71 N ATOM 0 H LYS A 72 25.797 -4.265 -5.413 1.00 0.95 H new ATOM 0 HA LYS A 72 26.008 -1.615 -6.312 1.00 1.08 H new ATOM 0 HB2 LYS A 72 26.419 -4.296 -7.315 1.00 1.14 H new ATOM 0 HB3 LYS A 72 25.605 -3.335 -8.534 1.00 1.14 H new ATOM 0 HG2 LYS A 72 27.479 -2.177 -9.003 1.00 1.49 H new ATOM 0 HG3 LYS A 72 27.759 -1.802 -7.315 1.00 1.49 H new ATOM 0 HD2 LYS A 72 28.355 -4.578 -7.638 1.00 2.07 H new ATOM 0 HD3 LYS A 72 29.097 -3.748 -8.991 1.00 2.07 H new ATOM 0 HE2 LYS A 72 30.730 -3.722 -7.260 1.00 2.89 H new ATOM 0 HE3 LYS A 72 30.081 -2.095 -7.314 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 30.328 -3.345 -5.062 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 28.972 -2.361 -5.341 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 28.843 -4.048 -5.490 1.00 3.71 H new ATOM 1030 N LEU A 73 23.185 -3.160 -7.080 1.00 0.89 N ATOM 1031 CA LEU A 73 21.806 -2.939 -7.501 1.00 0.98 C ATOM 1032 C LEU A 73 21.125 -1.982 -6.529 1.00 1.14 C ATOM 1033 O LEU A 73 20.368 -1.101 -6.929 1.00 1.32 O ATOM 1034 CB LEU A 73 21.021 -4.260 -7.545 1.00 0.97 C ATOM 1035 CG LEU A 73 21.842 -5.522 -7.833 1.00 0.92 C ATOM 1036 CD1 LEU A 73 20.982 -6.767 -7.636 1.00 0.96 C ATOM 1037 CD2 LEU A 73 22.418 -5.480 -9.242 1.00 1.52 C ATOM 0 H LEU A 73 23.403 -4.126 -6.837 1.00 0.89 H new ATOM 0 HA LEU A 73 21.819 -2.511 -8.503 1.00 0.98 H new ATOM 0 HB2 LEU A 73 20.515 -4.391 -6.588 1.00 0.97 H new ATOM 0 HB3 LEU A 73 20.246 -4.174 -8.306 1.00 0.97 H new ATOM 0 HG LEU A 73 22.675 -5.562 -7.131 1.00 0.92 H new ATOM 0 HD11 LEU A 73 21.577 -7.657 -7.844 1.00 0.96 H new ATOM 0 HD12 LEU A 73 20.623 -6.802 -6.607 1.00 0.96 H new ATOM 0 HD13 LEU A 73 20.131 -6.733 -8.316 1.00 0.96 H new ATOM 0 HD21 LEU A 73 22.997 -6.385 -9.425 1.00 1.52 H new ATOM 0 HD22 LEU A 73 21.605 -5.416 -9.966 1.00 1.52 H new ATOM 0 HD23 LEU A 73 23.065 -4.609 -9.345 1.00 1.52 H new ATOM 1049 N SER A 74 21.403 -2.185 -5.248 1.00 1.13 N ATOM 1050 CA SER A 74 20.834 -1.374 -4.179 1.00 1.36 C ATOM 1051 C SER A 74 21.223 0.101 -4.308 1.00 1.52 C ATOM 1052 O SER A 74 20.376 0.986 -4.192 1.00 1.76 O ATOM 1053 CB SER A 74 21.302 -1.924 -2.830 1.00 1.37 C ATOM 1054 OG SER A 74 20.778 -3.220 -2.600 1.00 1.67 O ATOM 0 H SER A 74 22.031 -2.919 -4.920 1.00 1.13 H new ATOM 0 HA SER A 74 19.748 -1.428 -4.252 1.00 1.36 H new ATOM 0 HB2 SER A 74 22.391 -1.959 -2.806 1.00 1.37 H new ATOM 0 HB3 SER A 74 20.987 -1.253 -2.031 1.00 1.37 H new ATOM 0 HG SER A 74 21.262 -3.871 -3.150 1.00 1.67 H new ATOM 1060 N ASP A 75 22.512 0.352 -4.522 1.00 1.47 N ATOM 1061 CA ASP A 75 23.037 1.714 -4.640 1.00 1.71 C ATOM 1062 C ASP A 75 22.199 2.576 -5.582 1.00 1.86 C ATOM 1063 O ASP A 75 21.681 3.620 -5.184 1.00 2.14 O ATOM 1064 CB ASP A 75 24.490 1.689 -5.134 1.00 1.72 C ATOM 1065 CG ASP A 75 25.395 0.822 -4.275 1.00 1.79 C ATOM 1066 OD1 ASP A 75 25.139 0.709 -3.057 1.00 2.15 O ATOM 1067 OD2 ASP A 75 26.366 0.258 -4.823 1.00 2.34 O ATOM 0 H ASP A 75 23.220 -0.376 -4.618 1.00 1.47 H new ATOM 0 HA ASP A 75 22.991 2.157 -3.645 1.00 1.71 H new ATOM 0 HB2 ASP A 75 24.513 1.323 -6.160 1.00 1.72 H new ATOM 0 HB3 ASP A 75 24.880 2.707 -5.150 1.00 1.72 H new ATOM 1072 N ASP A 76 22.094 2.151 -6.836 1.00 1.77 N ATOM 1073 CA ASP A 76 21.341 2.904 -7.840 1.00 2.01 C ATOM 1074 C ASP A 76 19.835 2.755 -7.646 1.00 1.98 C ATOM 1075 O ASP A 76 19.077 3.700 -7.873 1.00 2.28 O ATOM 1076 CB ASP A 76 21.732 2.450 -9.250 1.00 2.20 C ATOM 1077 CG ASP A 76 22.191 1.006 -9.284 1.00 2.36 C ATOM 1078 OD1 ASP A 76 21.340 0.111 -9.115 1.00 2.89 O ATOM 1079 OD2 ASP A 76 23.402 0.772 -9.464 1.00 2.64 O ATOM 0 H ASP A 76 22.519 1.291 -7.184 1.00 1.77 H new ATOM 0 HA ASP A 76 21.593 3.957 -7.716 1.00 2.01 H new ATOM 0 HB2 ASP A 76 20.880 2.574 -9.918 1.00 2.20 H new ATOM 0 HB3 ASP A 76 22.529 3.091 -9.628 1.00 2.20 H new ATOM 1084 N ASN A 77 19.405 1.566 -7.239 1.00 1.87 N ATOM 1085 CA ASN A 77 17.985 1.297 -7.029 1.00 2.13 C ATOM 1086 C ASN A 77 17.363 2.303 -6.064 1.00 1.92 C ATOM 1087 O ASN A 77 16.355 2.931 -6.382 1.00 2.30 O ATOM 1088 CB ASN A 77 17.785 -0.125 -6.498 1.00 3.00 C ATOM 1089 CG ASN A 77 16.353 -0.393 -6.075 1.00 3.68 C ATOM 1090 OD1 ASN A 77 16.108 -1.011 -5.041 1.00 3.93 O ATOM 1091 ND2 ASN A 77 15.400 0.073 -6.872 1.00 4.42 N ATOM 0 H ASN A 77 20.017 0.773 -7.048 1.00 1.87 H new ATOM 0 HA ASN A 77 17.484 1.396 -7.992 1.00 2.13 H new ATOM 0 HB2 ASN A 77 18.072 -0.840 -7.268 1.00 3.00 H new ATOM 0 HB3 ASN A 77 18.448 -0.288 -5.648 1.00 3.00 H new ATOM 0 HD21 ASN A 77 14.419 -0.077 -6.636 1.00 4.42 H new ATOM 0 HD22 ASN A 77 15.648 0.581 -7.721 1.00 4.42 H new ATOM 1098 N THR A 78 17.968 2.439 -4.884 1.00 2.42 N ATOM 1099 CA THR A 78 17.479 3.355 -3.854 1.00 3.13 C ATOM 1100 C THR A 78 16.217 2.799 -3.198 1.00 3.07 C ATOM 1101 O THR A 78 16.219 2.469 -2.012 1.00 3.33 O ATOM 1102 CB THR A 78 17.212 4.752 -4.434 1.00 4.02 C ATOM 1103 OG1 THR A 78 18.143 5.061 -5.457 1.00 4.29 O ATOM 1104 CG2 THR A 78 17.296 5.854 -3.398 1.00 4.87 C ATOM 0 H THR A 78 18.805 1.921 -4.616 1.00 2.42 H new ATOM 0 HA THR A 78 18.255 3.449 -3.094 1.00 3.13 H new ATOM 0 HB THR A 78 16.195 4.711 -4.824 1.00 4.02 H new ATOM 0 HG1 THR A 78 17.953 5.954 -5.813 1.00 4.29 H new ATOM 0 HG21 THR A 78 17.097 6.815 -3.872 1.00 4.87 H new ATOM 0 HG22 THR A 78 16.558 5.676 -2.616 1.00 4.87 H new ATOM 0 HG23 THR A 78 18.294 5.865 -2.959 1.00 4.87 H new ATOM 1112 N ILE A 79 15.144 2.688 -3.978 1.00 3.06 N ATOM 1113 CA ILE A 79 13.874 2.161 -3.482 1.00 3.21 C ATOM 1114 C ILE A 79 13.695 0.709 -3.917 1.00 2.90 C ATOM 1115 O ILE A 79 13.321 0.435 -5.058 1.00 3.08 O ATOM 1116 CB ILE A 79 12.675 2.998 -3.981 1.00 3.81 C ATOM 1117 CG1 ILE A 79 12.953 3.561 -5.379 1.00 4.11 C ATOM 1118 CG2 ILE A 79 12.372 4.125 -3.002 1.00 4.49 C ATOM 1119 CD1 ILE A 79 11.727 4.137 -6.057 1.00 4.56 C ATOM 0 H ILE A 79 15.129 2.958 -4.962 1.00 3.06 H new ATOM 0 HA ILE A 79 13.902 2.217 -2.394 1.00 3.21 H new ATOM 0 HB ILE A 79 11.803 2.348 -4.042 1.00 3.81 H new ATOM 0 HG12 ILE A 79 13.714 4.337 -5.304 1.00 4.11 H new ATOM 0 HG13 ILE A 79 13.365 2.769 -6.005 1.00 4.11 H new ATOM 0 HG21 ILE A 79 11.525 4.706 -3.367 1.00 4.49 H new ATOM 0 HG22 ILE A 79 12.130 3.704 -2.026 1.00 4.49 H new ATOM 0 HG23 ILE A 79 13.244 4.773 -2.911 1.00 4.49 H new ATOM 0 HD11 ILE A 79 12.000 4.516 -7.042 1.00 4.56 H new ATOM 0 HD12 ILE A 79 10.971 3.359 -6.165 1.00 4.56 H new ATOM 0 HD13 ILE A 79 11.326 4.951 -5.453 1.00 4.56 H new ATOM 1131 N GLY A 80 13.976 -0.214 -3.003 1.00 2.87 N ATOM 1132 CA GLY A 80 13.856 -1.630 -3.303 1.00 2.77 C ATOM 1133 C GLY A 80 14.974 -2.427 -2.666 1.00 2.49 C ATOM 1134 O GLY A 80 14.821 -3.617 -2.385 1.00 2.38 O ATOM 0 H GLY A 80 14.287 -0.005 -2.054 1.00 2.87 H new ATOM 0 HA2 GLY A 80 12.895 -1.999 -2.945 1.00 2.77 H new ATOM 0 HA3 GLY A 80 13.872 -1.777 -4.383 1.00 2.77 H new ATOM 1138 N LYS A 81 16.100 -1.758 -2.425 1.00 2.47 N ATOM 1139 CA LYS A 81 17.261 -2.392 -1.803 1.00 2.30 C ATOM 1140 C LYS A 81 16.846 -3.221 -0.588 1.00 2.13 C ATOM 1141 O LYS A 81 17.378 -4.303 -0.357 1.00 1.92 O ATOM 1142 CB LYS A 81 18.292 -1.335 -1.397 1.00 2.45 C ATOM 1143 CG LYS A 81 17.687 -0.079 -0.781 1.00 2.98 C ATOM 1144 CD LYS A 81 17.920 -0.017 0.721 1.00 3.54 C ATOM 1145 CE LYS A 81 17.585 1.357 1.281 1.00 4.27 C ATOM 1146 NZ LYS A 81 16.242 1.827 0.843 1.00 4.40 N ATOM 0 H LYS A 81 16.233 -0.773 -2.652 1.00 2.47 H new ATOM 0 HA LYS A 81 17.713 -3.062 -2.534 1.00 2.30 H new ATOM 0 HB2 LYS A 81 18.988 -1.777 -0.684 1.00 2.45 H new ATOM 0 HB3 LYS A 81 18.872 -1.053 -2.276 1.00 2.45 H new ATOM 0 HG2 LYS A 81 18.121 0.802 -1.253 1.00 2.98 H new ATOM 0 HG3 LYS A 81 16.616 -0.054 -0.984 1.00 2.98 H new ATOM 0 HD2 LYS A 81 17.309 -0.772 1.216 1.00 3.54 H new ATOM 0 HD3 LYS A 81 18.961 -0.256 0.939 1.00 3.54 H new ATOM 0 HE2 LYS A 81 17.619 1.323 2.370 1.00 4.27 H new ATOM 0 HE3 LYS A 81 18.342 2.073 0.961 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 16.351 2.615 0.173 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 15.735 1.046 0.379 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 15.700 2.149 1.670 1.00 4.40 H new ATOM 1160 N GLU A 82 15.884 -2.709 0.176 1.00 2.24 N ATOM 1161 CA GLU A 82 15.386 -3.403 1.359 1.00 2.14 C ATOM 1162 C GLU A 82 15.020 -4.848 1.024 1.00 1.94 C ATOM 1163 O GLU A 82 15.459 -5.780 1.699 1.00 1.76 O ATOM 1164 CB GLU A 82 14.166 -2.671 1.928 1.00 2.37 C ATOM 1165 CG GLU A 82 14.440 -1.221 2.301 1.00 2.74 C ATOM 1166 CD GLU A 82 13.934 -0.235 1.263 1.00 2.68 C ATOM 1167 OE1 GLU A 82 14.345 -0.344 0.087 1.00 2.89 O ATOM 1168 OE2 GLU A 82 13.137 0.654 1.624 1.00 3.00 O ATOM 0 H GLU A 82 15.433 -1.812 -0.005 1.00 2.24 H new ATOM 0 HA GLU A 82 16.177 -3.412 2.109 1.00 2.14 H new ATOM 0 HB2 GLU A 82 13.360 -2.702 1.194 1.00 2.37 H new ATOM 0 HB3 GLU A 82 13.813 -3.204 2.811 1.00 2.37 H new ATOM 0 HG2 GLU A 82 13.970 -1.003 3.260 1.00 2.74 H new ATOM 0 HG3 GLU A 82 15.513 -1.082 2.433 1.00 2.74 H new ATOM 1175 N GLU A 83 14.222 -5.027 -0.028 1.00 2.03 N ATOM 1176 CA GLU A 83 13.811 -6.359 -0.457 1.00 1.94 C ATOM 1177 C GLU A 83 15.039 -7.228 -0.712 1.00 1.73 C ATOM 1178 O GLU A 83 15.131 -8.350 -0.217 1.00 1.57 O ATOM 1179 CB GLU A 83 12.920 -6.269 -1.710 1.00 2.17 C ATOM 1180 CG GLU A 83 13.419 -7.064 -2.914 1.00 2.39 C ATOM 1181 CD GLU A 83 13.495 -8.560 -2.654 1.00 2.51 C ATOM 1182 OE1 GLU A 83 12.570 -9.099 -2.012 1.00 2.94 O ATOM 1183 OE2 GLU A 83 14.481 -9.189 -3.091 1.00 2.93 O ATOM 0 H GLU A 83 13.849 -4.267 -0.597 1.00 2.03 H new ATOM 0 HA GLU A 83 13.224 -6.823 0.336 1.00 1.94 H new ATOM 0 HB2 GLU A 83 11.920 -6.618 -1.452 1.00 2.17 H new ATOM 0 HB3 GLU A 83 12.828 -5.222 -1.998 1.00 2.17 H new ATOM 0 HG2 GLU A 83 12.757 -6.882 -3.761 1.00 2.39 H new ATOM 0 HG3 GLU A 83 14.407 -6.700 -3.197 1.00 2.39 H new ATOM 1190 N ILE A 84 15.986 -6.693 -1.479 1.00 1.75 N ATOM 1191 CA ILE A 84 17.213 -7.416 -1.786 1.00 1.60 C ATOM 1192 C ILE A 84 17.888 -7.881 -0.503 1.00 1.38 C ATOM 1193 O ILE A 84 18.249 -9.050 -0.364 1.00 1.22 O ATOM 1194 CB ILE A 84 18.202 -6.548 -2.596 1.00 1.73 C ATOM 1195 CG1 ILE A 84 17.492 -5.895 -3.788 1.00 2.03 C ATOM 1196 CG2 ILE A 84 19.383 -7.389 -3.067 1.00 1.57 C ATOM 1197 CD1 ILE A 84 18.438 -5.361 -4.842 1.00 2.47 C ATOM 0 H ILE A 84 15.926 -5.765 -1.897 1.00 1.75 H new ATOM 0 HA ILE A 84 16.937 -8.278 -2.393 1.00 1.60 H new ATOM 0 HB ILE A 84 18.580 -5.756 -1.949 1.00 1.73 H new ATOM 0 HG12 ILE A 84 16.826 -6.625 -4.247 1.00 2.03 H new ATOM 0 HG13 ILE A 84 16.868 -5.078 -3.425 1.00 2.03 H new ATOM 0 HG21 ILE A 84 20.071 -6.764 -3.636 1.00 1.57 H new ATOM 0 HG22 ILE A 84 19.901 -7.805 -2.203 1.00 1.57 H new ATOM 0 HG23 ILE A 84 19.023 -8.200 -3.699 1.00 1.57 H new ATOM 0 HD11 ILE A 84 17.864 -4.914 -5.653 1.00 2.47 H new ATOM 0 HD12 ILE A 84 19.088 -4.606 -4.399 1.00 2.47 H new ATOM 0 HD13 ILE A 84 19.045 -6.178 -5.234 1.00 2.47 H new ATOM 1209 N GLN A 85 18.045 -6.957 0.443 1.00 1.45 N ATOM 1210 CA GLN A 85 18.665 -7.269 1.725 1.00 1.35 C ATOM 1211 C GLN A 85 17.984 -8.474 2.359 1.00 1.19 C ATOM 1212 O GLN A 85 18.646 -9.419 2.783 1.00 1.05 O ATOM 1213 CB GLN A 85 18.588 -6.060 2.664 1.00 1.56 C ATOM 1214 CG GLN A 85 19.930 -5.663 3.265 1.00 1.77 C ATOM 1215 CD GLN A 85 20.879 -5.069 2.241 1.00 2.36 C ATOM 1216 OE1 GLN A 85 20.484 -4.244 1.415 1.00 2.80 O ATOM 1217 NE2 GLN A 85 22.139 -5.485 2.289 1.00 3.13 N ATOM 0 H GLN A 85 17.750 -5.986 0.344 1.00 1.45 H new ATOM 0 HA GLN A 85 19.714 -7.509 1.555 1.00 1.35 H new ATOM 0 HB2 GLN A 85 18.181 -5.211 2.115 1.00 1.56 H new ATOM 0 HB3 GLN A 85 17.890 -6.282 3.471 1.00 1.56 H new ATOM 0 HG2 GLN A 85 19.766 -4.940 4.064 1.00 1.77 H new ATOM 0 HG3 GLN A 85 20.394 -6.539 3.718 1.00 1.77 H new ATOM 0 HE21 GLN A 85 22.424 -6.170 2.989 1.00 3.13 H new ATOM 0 HE22 GLN A 85 22.822 -5.120 1.625 1.00 3.13 H new ATOM 1226 N GLN A 86 16.655 -8.440 2.406 1.00 1.26 N ATOM 1227 CA GLN A 86 15.884 -9.541 2.971 1.00 1.18 C ATOM 1228 C GLN A 86 16.220 -10.841 2.246 1.00 1.03 C ATOM 1229 O GLN A 86 16.514 -11.859 2.873 1.00 0.90 O ATOM 1230 CB GLN A 86 14.383 -9.249 2.868 1.00 1.37 C ATOM 1231 CG GLN A 86 13.553 -9.914 3.957 1.00 1.47 C ATOM 1232 CD GLN A 86 13.518 -11.424 3.823 1.00 2.31 C ATOM 1233 OE1 GLN A 86 12.861 -11.964 2.933 1.00 2.90 O ATOM 1234 NE2 GLN A 86 14.226 -12.115 4.708 1.00 3.09 N ATOM 0 H GLN A 86 16.091 -7.663 2.060 1.00 1.26 H new ATOM 0 HA GLN A 86 16.145 -9.647 4.024 1.00 1.18 H new ATOM 0 HB2 GLN A 86 14.228 -8.171 2.913 1.00 1.37 H new ATOM 0 HB3 GLN A 86 14.023 -9.583 1.895 1.00 1.37 H new ATOM 0 HG2 GLN A 86 13.961 -9.649 4.932 1.00 1.47 H new ATOM 0 HG3 GLN A 86 12.535 -9.526 3.921 1.00 1.47 H new ATOM 0 HE21 GLN A 86 14.756 -11.627 5.430 1.00 3.09 H new ATOM 0 HE22 GLN A 86 14.240 -13.134 4.666 1.00 3.09 H new ATOM 1243 N ARG A 87 16.186 -10.790 0.915 1.00 1.11 N ATOM 1244 CA ARG A 87 16.494 -11.953 0.087 1.00 1.09 C ATOM 1245 C ARG A 87 17.871 -12.515 0.427 1.00 0.91 C ATOM 1246 O ARG A 87 18.021 -13.712 0.674 1.00 0.87 O ATOM 1247 CB ARG A 87 16.433 -11.578 -1.399 1.00 1.29 C ATOM 1248 CG ARG A 87 15.955 -12.711 -2.300 1.00 1.78 C ATOM 1249 CD ARG A 87 14.442 -12.899 -2.242 1.00 2.22 C ATOM 1250 NE ARG A 87 13.762 -11.804 -1.547 1.00 2.81 N ATOM 1251 CZ ARG A 87 13.296 -11.886 -0.301 1.00 3.73 C ATOM 1252 NH1 ARG A 87 13.440 -13.007 0.387 1.00 4.21 N ATOM 1253 NH2 ARG A 87 12.686 -10.850 0.259 1.00 4.43 N ATOM 0 H ARG A 87 15.947 -9.951 0.386 1.00 1.11 H new ATOM 0 HA ARG A 87 15.749 -12.722 0.292 1.00 1.09 H new ATOM 0 HB2 ARG A 87 15.768 -10.723 -1.522 1.00 1.29 H new ATOM 0 HB3 ARG A 87 17.423 -11.260 -1.725 1.00 1.29 H new ATOM 0 HG2 ARG A 87 16.254 -12.505 -3.328 1.00 1.78 H new ATOM 0 HG3 ARG A 87 16.446 -13.638 -2.005 1.00 1.78 H new ATOM 0 HD2 ARG A 87 14.051 -12.978 -3.256 1.00 2.22 H new ATOM 0 HD3 ARG A 87 14.216 -13.839 -1.739 1.00 2.22 H new ATOM 0 HE ARG A 87 13.637 -10.924 -2.047 1.00 2.81 H new ATOM 0 HH11 ARG A 87 13.908 -13.809 -0.036 1.00 4.21 H new ATOM 0 HH12 ARG A 87 13.083 -13.070 1.341 1.00 4.21 H new ATOM 0 HH21 ARG A 87 12.571 -9.982 -0.264 1.00 4.43 H new ATOM 0 HH22 ARG A 87 12.332 -10.921 1.213 1.00 4.43 H new ATOM 1267 N LEU A 88 18.878 -11.646 0.434 1.00 0.87 N ATOM 1268 CA LEU A 88 20.237 -12.064 0.749 1.00 0.78 C ATOM 1269 C LEU A 88 20.286 -12.681 2.143 1.00 0.71 C ATOM 1270 O LEU A 88 20.989 -13.664 2.376 1.00 0.67 O ATOM 1271 CB LEU A 88 21.199 -10.872 0.662 1.00 0.86 C ATOM 1272 CG LEU A 88 22.509 -11.145 -0.087 1.00 1.04 C ATOM 1273 CD1 LEU A 88 23.245 -12.326 0.531 1.00 1.15 C ATOM 1274 CD2 LEU A 88 22.241 -11.390 -1.566 1.00 1.90 C ATOM 0 H LEU A 88 18.778 -10.653 0.226 1.00 0.87 H new ATOM 0 HA LEU A 88 20.548 -12.813 0.021 1.00 0.78 H new ATOM 0 HB2 LEU A 88 20.685 -10.045 0.172 1.00 0.86 H new ATOM 0 HB3 LEU A 88 21.439 -10.544 1.674 1.00 0.86 H new ATOM 0 HG LEU A 88 23.144 -10.264 0.002 1.00 1.04 H new ATOM 0 HD11 LEU A 88 24.172 -12.503 -0.015 1.00 1.15 H new ATOM 0 HD12 LEU A 88 23.474 -12.106 1.574 1.00 1.15 H new ATOM 0 HD13 LEU A 88 22.617 -13.215 0.477 1.00 1.15 H new ATOM 0 HD21 LEU A 88 23.183 -11.582 -2.080 1.00 1.90 H new ATOM 0 HD22 LEU A 88 21.584 -12.253 -1.679 1.00 1.90 H new ATOM 0 HD23 LEU A 88 21.764 -10.511 -2.000 1.00 1.90 H new ATOM 1286 N ALA A 89 19.519 -12.099 3.063 1.00 0.77 N ATOM 1287 CA ALA A 89 19.458 -12.591 4.435 1.00 0.81 C ATOM 1288 C ALA A 89 18.949 -14.027 4.474 1.00 0.74 C ATOM 1289 O ALA A 89 19.306 -14.798 5.365 1.00 0.77 O ATOM 1290 CB ALA A 89 18.570 -11.689 5.282 1.00 0.97 C ATOM 0 H ALA A 89 18.931 -11.285 2.881 1.00 0.77 H new ATOM 0 HA ALA A 89 20.466 -12.576 4.848 1.00 0.81 H new ATOM 0 HB1 ALA A 89 18.534 -12.069 6.303 1.00 0.97 H new ATOM 0 HB2 ALA A 89 18.976 -10.678 5.285 1.00 0.97 H new ATOM 0 HB3 ALA A 89 17.563 -11.674 4.865 1.00 0.97 H new ATOM 1296 N GLN A 90 18.117 -14.382 3.495 1.00 0.73 N ATOM 1297 CA GLN A 90 17.563 -15.731 3.412 1.00 0.79 C ATOM 1298 C GLN A 90 18.671 -16.735 3.110 1.00 0.73 C ATOM 1299 O GLN A 90 18.728 -17.812 3.705 1.00 0.79 O ATOM 1300 CB GLN A 90 16.470 -15.805 2.338 1.00 0.90 C ATOM 1301 CG GLN A 90 15.259 -16.631 2.753 1.00 1.35 C ATOM 1302 CD GLN A 90 14.674 -16.192 4.083 1.00 1.96 C ATOM 1303 OE1 GLN A 90 14.427 -15.006 4.304 1.00 2.38 O ATOM 1304 NE2 GLN A 90 14.452 -17.146 4.979 1.00 2.72 N ATOM 0 H GLN A 90 17.813 -13.755 2.750 1.00 0.73 H new ATOM 0 HA GLN A 90 17.114 -15.979 4.374 1.00 0.79 H new ATOM 0 HB2 GLN A 90 16.143 -14.794 2.095 1.00 0.90 H new ATOM 0 HB3 GLN A 90 16.895 -16.230 1.429 1.00 0.90 H new ATOM 0 HG2 GLN A 90 14.492 -16.556 1.982 1.00 1.35 H new ATOM 0 HG3 GLN A 90 15.546 -17.681 2.816 1.00 1.35 H new ATOM 0 HE21 GLN A 90 14.671 -18.117 4.755 1.00 2.72 H new ATOM 0 HE22 GLN A 90 14.062 -16.908 5.891 1.00 2.72 H new ATOM 1313 N PHE A 91 19.552 -16.373 2.179 1.00 0.66 N ATOM 1314 CA PHE A 91 20.663 -17.242 1.803 1.00 0.67 C ATOM 1315 C PHE A 91 21.547 -17.492 3.015 1.00 0.67 C ATOM 1316 O PHE A 91 21.911 -18.630 3.309 1.00 0.74 O ATOM 1317 CB PHE A 91 21.487 -16.617 0.671 1.00 0.65 C ATOM 1318 CG PHE A 91 22.745 -17.369 0.348 1.00 0.66 C ATOM 1319 CD1 PHE A 91 22.729 -18.497 -0.460 1.00 0.93 C ATOM 1320 CD2 PHE A 91 23.950 -16.952 0.874 1.00 1.03 C ATOM 1321 CE1 PHE A 91 23.891 -19.182 -0.729 1.00 0.92 C ATOM 1322 CE2 PHE A 91 25.102 -17.638 0.613 1.00 1.19 C ATOM 1323 CZ PHE A 91 25.044 -18.756 -0.305 1.00 0.90 C ATOM 0 H PHE A 91 19.518 -15.488 1.674 1.00 0.66 H new ATOM 0 HA PHE A 91 20.259 -18.189 1.446 1.00 0.67 H new ATOM 0 HB2 PHE A 91 20.870 -16.559 -0.225 1.00 0.65 H new ATOM 0 HB3 PHE A 91 21.747 -15.595 0.946 1.00 0.65 H new ATOM 0 HD1 PHE A 91 21.796 -18.840 -0.881 1.00 0.93 H new ATOM 0 HD2 PHE A 91 23.983 -16.072 1.500 1.00 1.03 H new ATOM 0 HE1 PHE A 91 23.845 -20.094 -1.305 1.00 0.92 H new ATOM 0 HE2 PHE A 91 26.033 -17.353 1.080 1.00 1.19 H new ATOM 0 HZ PHE A 91 25.954 -19.234 -0.636 1.00 0.90 H new ATOM 1333 N VAL A 92 21.872 -16.420 3.731 1.00 0.64 N ATOM 1334 CA VAL A 92 22.697 -16.530 4.924 1.00 0.72 C ATOM 1335 C VAL A 92 22.092 -17.549 5.878 1.00 0.77 C ATOM 1336 O VAL A 92 22.760 -18.490 6.298 1.00 0.86 O ATOM 1337 CB VAL A 92 22.840 -15.174 5.652 1.00 0.77 C ATOM 1338 CG1 VAL A 92 23.885 -15.263 6.756 1.00 0.86 C ATOM 1339 CG2 VAL A 92 23.189 -14.069 4.667 1.00 1.37 C ATOM 0 H VAL A 92 21.577 -15.470 3.505 1.00 0.64 H new ATOM 0 HA VAL A 92 23.689 -16.852 4.608 1.00 0.72 H new ATOM 0 HB VAL A 92 21.881 -14.930 6.110 1.00 0.77 H new ATOM 0 HG11 VAL A 92 23.970 -14.298 7.255 1.00 0.86 H new ATOM 0 HG12 VAL A 92 23.586 -16.021 7.480 1.00 0.86 H new ATOM 0 HG13 VAL A 92 24.848 -15.534 6.324 1.00 0.86 H new ATOM 0 HG21 VAL A 92 23.285 -13.123 5.200 1.00 1.37 H new ATOM 0 HG22 VAL A 92 24.132 -14.305 4.174 1.00 1.37 H new ATOM 0 HG23 VAL A 92 22.400 -13.986 3.919 1.00 1.37 H new ATOM 1349 N ASP A 93 20.809 -17.370 6.193 1.00 0.77 N ATOM 1350 CA ASP A 93 20.104 -18.292 7.079 1.00 0.86 C ATOM 1351 C ASP A 93 20.391 -19.735 6.679 1.00 0.91 C ATOM 1352 O ASP A 93 20.872 -20.526 7.489 1.00 1.00 O ATOM 1353 CB ASP A 93 18.595 -18.022 7.050 1.00 0.90 C ATOM 1354 CG ASP A 93 17.890 -18.784 5.942 1.00 1.10 C ATOM 1355 OD1 ASP A 93 18.356 -18.717 4.785 1.00 1.55 O ATOM 1356 OD2 ASP A 93 16.872 -19.448 6.233 1.00 1.71 O ATOM 0 H ASP A 93 20.240 -16.597 5.848 1.00 0.77 H new ATOM 0 HA ASP A 93 20.463 -18.133 8.096 1.00 0.86 H new ATOM 0 HB2 ASP A 93 18.161 -18.299 8.011 1.00 0.90 H new ATOM 0 HB3 ASP A 93 18.423 -16.954 6.919 1.00 0.90 H new ATOM 1361 N HIS A 94 20.126 -20.064 5.416 1.00 0.89 N ATOM 1362 CA HIS A 94 20.384 -21.410 4.911 1.00 0.98 C ATOM 1363 C HIS A 94 21.838 -21.786 5.163 1.00 1.00 C ATOM 1364 O HIS A 94 22.127 -22.782 5.827 1.00 1.12 O ATOM 1365 CB HIS A 94 20.079 -21.489 3.416 1.00 1.00 C ATOM 1366 CG HIS A 94 18.621 -21.628 3.119 1.00 1.35 C ATOM 1367 ND1 HIS A 94 17.716 -20.598 3.232 1.00 2.17 N ATOM 1368 CD2 HIS A 94 17.908 -22.713 2.724 1.00 1.73 C ATOM 1369 CE1 HIS A 94 16.506 -21.078 2.914 1.00 2.46 C ATOM 1370 NE2 HIS A 94 16.568 -22.357 2.597 1.00 2.14 N ATOM 0 H HIS A 94 19.735 -19.421 4.728 1.00 0.89 H new ATOM 0 HA HIS A 94 19.734 -22.110 5.436 1.00 0.98 H new ATOM 0 HB2 HIS A 94 20.459 -20.592 2.926 1.00 1.00 H new ATOM 0 HB3 HIS A 94 20.613 -22.337 2.987 1.00 1.00 H new ATOM 0 HD1 HIS A 94 17.928 -19.639 3.509 1.00 2.17 H new ATOM 0 HD2 HIS A 94 18.315 -23.696 2.538 1.00 1.73 H new ATOM 0 HE1 HIS A 94 15.598 -20.494 2.917 1.00 2.46 H new ATOM 1378 N TRP A 95 22.749 -20.960 4.648 1.00 0.93 N ATOM 1379 CA TRP A 95 24.177 -21.185 4.829 1.00 1.00 C ATOM 1380 C TRP A 95 24.478 -21.523 6.283 1.00 1.06 C ATOM 1381 O TRP A 95 25.254 -22.429 6.570 1.00 1.16 O ATOM 1382 CB TRP A 95 24.971 -19.949 4.404 1.00 0.97 C ATOM 1383 CG TRP A 95 26.445 -20.098 4.605 1.00 1.09 C ATOM 1384 CD1 TRP A 95 27.195 -21.196 4.325 1.00 2.01 C ATOM 1385 CD2 TRP A 95 27.347 -19.120 5.132 1.00 1.04 C ATOM 1386 NE1 TRP A 95 28.501 -20.967 4.660 1.00 1.88 N ATOM 1387 CE2 TRP A 95 28.622 -19.695 5.156 1.00 1.04 C ATOM 1388 CE3 TRP A 95 27.195 -17.817 5.587 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 29.742 -19.004 5.624 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 28.298 -17.128 6.050 1.00 2.64 C ATOM 1391 CH2 TRP A 95 29.560 -17.725 6.068 1.00 2.05 C ATOM 0 H TRP A 95 22.520 -20.129 4.102 1.00 0.93 H new ATOM 0 HA TRP A 95 24.476 -22.025 4.202 1.00 1.00 H new ATOM 0 HB2 TRP A 95 24.773 -19.742 3.352 1.00 0.97 H new ATOM 0 HB3 TRP A 95 24.619 -19.087 4.970 1.00 0.97 H new ATOM 0 HD1 TRP A 95 26.816 -22.114 3.901 1.00 2.01 H new ATOM 0 HE1 TRP A 95 29.264 -21.636 4.557 1.00 1.88 H new ATOM 0 HE3 TRP A 95 26.223 -17.347 5.579 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 30.719 -19.465 5.634 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 28.183 -16.114 6.403 1.00 2.64 H new ATOM 0 HH2 TRP A 95 30.406 -17.166 6.439 1.00 2.05 H new ATOM 1402 N LYS A 96 23.846 -20.788 7.192 1.00 1.03 N ATOM 1403 CA LYS A 96 24.020 -21.010 8.623 1.00 1.12 C ATOM 1404 C LYS A 96 23.780 -22.475 8.966 1.00 1.21 C ATOM 1405 O LYS A 96 24.663 -23.156 9.486 1.00 1.32 O ATOM 1406 CB LYS A 96 23.051 -20.128 9.415 1.00 1.12 C ATOM 1407 CG LYS A 96 23.664 -19.496 10.656 1.00 1.49 C ATOM 1408 CD LYS A 96 22.634 -19.318 11.764 1.00 1.83 C ATOM 1409 CE LYS A 96 21.509 -18.382 11.343 1.00 2.36 C ATOM 1410 NZ LYS A 96 20.402 -19.109 10.662 1.00 2.86 N ATOM 0 H LYS A 96 23.205 -20.029 6.961 1.00 1.03 H new ATOM 0 HA LYS A 96 25.043 -20.748 8.892 1.00 1.12 H new ATOM 0 HB2 LYS A 96 22.679 -19.338 8.763 1.00 1.12 H new ATOM 0 HB3 LYS A 96 22.190 -20.727 9.712 1.00 1.12 H new ATOM 0 HG2 LYS A 96 24.482 -20.120 11.016 1.00 1.49 H new ATOM 0 HG3 LYS A 96 24.092 -18.527 10.398 1.00 1.49 H new ATOM 0 HD2 LYS A 96 22.218 -20.289 12.033 1.00 1.83 H new ATOM 0 HD3 LYS A 96 23.122 -18.922 12.655 1.00 1.83 H new ATOM 0 HE2 LYS A 96 21.118 -17.867 12.221 1.00 2.36 H new ATOM 0 HE3 LYS A 96 21.905 -17.617 10.675 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 19.550 -18.512 10.650 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 20.682 -19.332 9.686 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 20.199 -19.991 11.174 1.00 2.86 H new ATOM 1424 N GLU A 97 22.575 -22.951 8.671 1.00 1.20 N ATOM 1425 CA GLU A 97 22.211 -24.337 8.947 1.00 1.32 C ATOM 1426 C GLU A 97 23.278 -25.288 8.404 1.00 1.36 C ATOM 1427 O GLU A 97 23.709 -26.211 9.096 1.00 1.47 O ATOM 1428 CB GLU A 97 20.817 -24.642 8.361 1.00 1.36 C ATOM 1429 CG GLU A 97 20.753 -25.823 7.395 1.00 1.86 C ATOM 1430 CD GLU A 97 20.696 -27.162 8.110 1.00 2.35 C ATOM 1431 OE1 GLU A 97 21.710 -27.549 8.729 1.00 2.68 O ATOM 1432 OE2 GLU A 97 19.641 -27.826 8.045 1.00 3.03 O ATOM 0 H GLU A 97 21.834 -22.398 8.241 1.00 1.20 H new ATOM 0 HA GLU A 97 22.160 -24.489 10.025 1.00 1.32 H new ATOM 0 HB2 GLU A 97 20.129 -24.832 9.185 1.00 1.36 H new ATOM 0 HB3 GLU A 97 20.457 -23.752 7.844 1.00 1.36 H new ATOM 0 HG2 GLU A 97 19.875 -25.718 6.757 1.00 1.86 H new ATOM 0 HG3 GLU A 97 21.626 -25.801 6.742 1.00 1.86 H new ATOM 1439 N LEU A 98 23.708 -25.048 7.168 1.00 1.31 N ATOM 1440 CA LEU A 98 24.731 -25.880 6.540 1.00 1.37 C ATOM 1441 C LEU A 98 26.017 -25.858 7.362 1.00 1.42 C ATOM 1442 O LEU A 98 26.610 -26.901 7.636 1.00 1.54 O ATOM 1443 CB LEU A 98 25.015 -25.395 5.112 1.00 1.31 C ATOM 1444 CG LEU A 98 25.279 -26.499 4.079 1.00 1.61 C ATOM 1445 CD1 LEU A 98 26.395 -27.423 4.548 1.00 2.38 C ATOM 1446 CD2 LEU A 98 24.009 -27.290 3.799 1.00 2.07 C ATOM 0 H LEU A 98 23.365 -24.286 6.583 1.00 1.31 H new ATOM 0 HA LEU A 98 24.359 -26.904 6.497 1.00 1.37 H new ATOM 0 HB2 LEU A 98 24.166 -24.800 4.774 1.00 1.31 H new ATOM 0 HB3 LEU A 98 25.879 -24.731 5.138 1.00 1.31 H new ATOM 0 HG LEU A 98 25.598 -26.025 3.151 1.00 1.61 H new ATOM 0 HD11 LEU A 98 26.565 -28.198 3.800 1.00 2.38 H new ATOM 0 HD12 LEU A 98 27.310 -26.847 4.688 1.00 2.38 H new ATOM 0 HD13 LEU A 98 26.111 -27.887 5.492 1.00 2.38 H new ATOM 0 HD21 LEU A 98 24.219 -28.067 3.064 1.00 2.07 H new ATOM 0 HD22 LEU A 98 23.656 -27.749 4.722 1.00 2.07 H new ATOM 0 HD23 LEU A 98 23.242 -26.621 3.410 1.00 2.07 H new ATOM 1458 N LYS A 99 26.439 -24.661 7.756 1.00 1.38 N ATOM 1459 CA LYS A 99 27.654 -24.497 8.548 1.00 1.47 C ATOM 1460 C LYS A 99 27.550 -25.301 9.836 1.00 1.60 C ATOM 1461 O LYS A 99 28.467 -26.036 10.198 1.00 1.74 O ATOM 1462 CB LYS A 99 27.889 -23.014 8.864 1.00 1.45 C ATOM 1463 CG LYS A 99 29.167 -22.449 8.252 1.00 1.90 C ATOM 1464 CD LYS A 99 30.164 -22.011 9.319 1.00 2.41 C ATOM 1465 CE LYS A 99 30.575 -23.162 10.228 1.00 3.14 C ATOM 1466 NZ LYS A 99 30.945 -24.384 9.461 1.00 4.07 N ATOM 0 H LYS A 99 25.957 -23.788 7.540 1.00 1.38 H new ATOM 0 HA LYS A 99 28.501 -24.866 7.970 1.00 1.47 H new ATOM 0 HB2 LYS A 99 27.038 -22.436 8.503 1.00 1.45 H new ATOM 0 HB3 LYS A 99 27.927 -22.884 9.946 1.00 1.45 H new ATOM 0 HG2 LYS A 99 29.627 -23.203 7.613 1.00 1.90 H new ATOM 0 HG3 LYS A 99 28.920 -21.599 7.616 1.00 1.90 H new ATOM 0 HD2 LYS A 99 31.050 -21.596 8.838 1.00 2.41 H new ATOM 0 HD3 LYS A 99 29.725 -21.215 9.920 1.00 2.41 H new ATOM 0 HE2 LYS A 99 31.420 -22.852 10.843 1.00 3.14 H new ATOM 0 HE3 LYS A 99 29.755 -23.396 10.907 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 31.751 -24.852 9.922 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 30.135 -25.036 9.434 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 31.208 -24.118 8.490 1.00 4.07 H new ATOM 1480 N GLN A 100 26.414 -25.165 10.513 1.00 1.58 N ATOM 1481 CA GLN A 100 26.168 -25.885 11.755 1.00 1.72 C ATOM 1482 C GLN A 100 26.310 -27.387 11.535 1.00 1.81 C ATOM 1483 O GLN A 100 27.071 -28.054 12.235 1.00 1.95 O ATOM 1484 CB GLN A 100 24.770 -25.555 12.292 1.00 1.71 C ATOM 1485 CG GLN A 100 24.726 -24.314 13.175 1.00 1.93 C ATOM 1486 CD GLN A 100 25.508 -23.147 12.601 1.00 2.66 C ATOM 1487 OE1 GLN A 100 24.950 -22.277 11.932 1.00 3.23 O ATOM 1488 NE2 GLN A 100 26.810 -23.120 12.861 1.00 3.33 N ATOM 0 H GLN A 100 25.647 -24.560 10.220 1.00 1.58 H new ATOM 0 HA GLN A 100 26.908 -25.571 12.492 1.00 1.72 H new ATOM 0 HB2 GLN A 100 24.092 -25.415 11.450 1.00 1.71 H new ATOM 0 HB3 GLN A 100 24.399 -26.407 12.861 1.00 1.71 H new ATOM 0 HG2 GLN A 100 23.688 -24.013 13.317 1.00 1.93 H new ATOM 0 HG3 GLN A 100 25.124 -24.561 14.159 1.00 1.93 H new ATOM 0 HE21 GLN A 100 27.234 -23.861 13.420 1.00 3.33 H new ATOM 0 HE22 GLN A 100 27.386 -22.359 12.502 1.00 3.33 H new ATOM 1497 N LEU A 101 25.585 -27.916 10.550 1.00 1.77 N ATOM 1498 CA LEU A 101 25.648 -29.340 10.238 1.00 1.89 C ATOM 1499 C LEU A 101 27.093 -29.779 10.014 1.00 1.96 C ATOM 1500 O LEU A 101 27.527 -30.804 10.539 1.00 2.12 O ATOM 1501 CB LEU A 101 24.808 -29.657 8.998 1.00 1.86 C ATOM 1502 CG LEU A 101 23.298 -29.457 9.169 1.00 2.09 C ATOM 1503 CD1 LEU A 101 22.626 -29.264 7.817 1.00 2.56 C ATOM 1504 CD2 LEU A 101 22.681 -30.634 9.910 1.00 2.59 C ATOM 0 H LEU A 101 24.950 -27.381 9.957 1.00 1.77 H new ATOM 0 HA LEU A 101 25.243 -29.890 11.087 1.00 1.89 H new ATOM 0 HB2 LEU A 101 25.151 -29.030 8.175 1.00 1.86 H new ATOM 0 HB3 LEU A 101 24.992 -30.692 8.708 1.00 1.86 H new ATOM 0 HG LEU A 101 23.138 -28.557 9.763 1.00 2.09 H new ATOM 0 HD11 LEU A 101 21.555 -29.124 7.960 1.00 2.56 H new ATOM 0 HD12 LEU A 101 23.044 -28.386 7.325 1.00 2.56 H new ATOM 0 HD13 LEU A 101 22.797 -30.144 7.197 1.00 2.56 H new ATOM 0 HD21 LEU A 101 21.609 -30.472 10.021 1.00 2.59 H new ATOM 0 HD22 LEU A 101 22.853 -31.550 9.345 1.00 2.59 H new ATOM 0 HD23 LEU A 101 23.138 -30.724 10.895 1.00 2.59 H new ATOM 1516 N ALA A 102 27.834 -28.994 9.235 1.00 1.86 N ATOM 1517 CA ALA A 102 29.229 -29.304 8.947 1.00 1.95 C ATOM 1518 C ALA A 102 30.036 -29.422 10.234 1.00 2.09 C ATOM 1519 O ALA A 102 30.780 -30.384 10.426 1.00 2.24 O ATOM 1520 CB ALA A 102 29.831 -28.244 8.033 1.00 1.85 C ATOM 0 H ALA A 102 27.491 -28.141 8.794 1.00 1.86 H new ATOM 0 HA ALA A 102 29.266 -30.266 8.435 1.00 1.95 H new ATOM 0 HB1 ALA A 102 30.873 -28.490 7.827 1.00 1.85 H new ATOM 0 HB2 ALA A 102 29.274 -28.212 7.097 1.00 1.85 H new ATOM 0 HB3 ALA A 102 29.777 -27.270 8.520 1.00 1.85 H new ATOM 1526 N ALA A 103 29.883 -28.438 11.116 1.00 2.07 N ATOM 1527 CA ALA A 103 30.594 -28.435 12.389 1.00 2.24 C ATOM 1528 C ALA A 103 30.296 -29.709 13.173 1.00 2.38 C ATOM 1529 O ALA A 103 31.205 -30.367 13.679 1.00 2.56 O ATOM 1530 CB ALA A 103 30.216 -27.205 13.203 1.00 2.21 C ATOM 0 H ALA A 103 29.273 -27.633 10.972 1.00 2.07 H new ATOM 0 HA ALA A 103 31.665 -28.401 12.187 1.00 2.24 H new ATOM 0 HB1 ALA A 103 30.754 -27.216 14.151 1.00 2.21 H new ATOM 0 HB2 ALA A 103 30.479 -26.305 12.647 1.00 2.21 H new ATOM 0 HB3 ALA A 103 29.143 -27.212 13.395 1.00 2.21 H new ATOM 1536 N ALA A 104 29.012 -30.049 13.264 1.00 2.34 N ATOM 1537 CA ALA A 104 28.587 -31.245 13.980 1.00 2.50 C ATOM 1538 C ALA A 104 29.283 -32.482 13.430 1.00 2.58 C ATOM 1539 O ALA A 104 29.835 -33.279 14.186 1.00 2.74 O ATOM 1540 CB ALA A 104 27.076 -31.402 13.901 1.00 2.48 C ATOM 0 H ALA A 104 28.250 -29.512 12.850 1.00 2.34 H new ATOM 0 HA ALA A 104 28.870 -31.135 15.027 1.00 2.50 H new ATOM 0 HB1 ALA A 104 26.775 -32.300 14.441 1.00 2.48 H new ATOM 0 HB2 ALA A 104 26.596 -30.532 14.348 1.00 2.48 H new ATOM 0 HB3 ALA A 104 26.773 -31.487 12.857 1.00 2.48 H new ATOM 1546 N ARG A 105 29.267 -32.631 12.110 1.00 2.50 N ATOM 1547 CA ARG A 105 29.912 -33.768 11.470 1.00 2.60 C ATOM 1548 C ARG A 105 31.393 -33.805 11.836 1.00 2.72 C ATOM 1549 O ARG A 105 31.941 -34.861 12.146 1.00 2.88 O ATOM 1550 CB ARG A 105 29.742 -33.695 9.950 1.00 2.49 C ATOM 1551 CG ARG A 105 28.294 -33.789 9.489 1.00 2.62 C ATOM 1552 CD ARG A 105 27.970 -35.168 8.932 1.00 2.76 C ATOM 1553 NE ARG A 105 28.842 -35.527 7.813 1.00 3.19 N ATOM 1554 CZ ARG A 105 29.086 -36.779 7.433 1.00 3.86 C ATOM 1555 NH1 ARG A 105 28.521 -37.788 8.081 1.00 4.42 N ATOM 1556 NH2 ARG A 105 29.895 -37.022 6.411 1.00 4.39 N ATOM 0 H ARG A 105 28.816 -31.981 11.466 1.00 2.50 H new ATOM 0 HA ARG A 105 29.439 -34.683 11.826 1.00 2.60 H new ATOM 0 HB2 ARG A 105 30.168 -32.758 9.591 1.00 2.49 H new ATOM 0 HB3 ARG A 105 30.313 -34.502 9.491 1.00 2.49 H new ATOM 0 HG2 ARG A 105 27.631 -33.569 10.325 1.00 2.62 H new ATOM 0 HG3 ARG A 105 28.105 -33.034 8.725 1.00 2.62 H new ATOM 0 HD2 ARG A 105 28.071 -35.911 9.723 1.00 2.76 H new ATOM 0 HD3 ARG A 105 26.931 -35.191 8.604 1.00 2.76 H new ATOM 0 HE ARG A 105 29.290 -34.772 7.293 1.00 3.19 H new ATOM 0 HH11 ARG A 105 27.900 -37.604 8.869 1.00 4.42 H new ATOM 0 HH12 ARG A 105 28.707 -38.748 7.791 1.00 4.42 H new ATOM 0 HH21 ARG A 105 30.333 -36.248 5.912 1.00 4.39 H new ATOM 0 HH22 ARG A 105 30.079 -37.983 6.124 1.00 4.39 H new ATOM 1570 N GLY A 106 32.028 -32.635 11.805 1.00 2.67 N ATOM 1571 CA GLY A 106 33.442 -32.529 12.139 1.00 2.83 C ATOM 1572 C GLY A 106 33.790 -33.168 13.472 1.00 3.06 C ATOM 1573 O GLY A 106 34.924 -33.601 13.676 1.00 3.27 O ATOM 0 H GLY A 106 31.585 -31.751 11.553 1.00 2.67 H new ATOM 0 HA2 GLY A 106 34.031 -33.000 11.352 1.00 2.83 H new ATOM 0 HA3 GLY A 106 33.726 -31.477 12.162 1.00 2.83 H new ATOM 1577 N GLN A 107 32.820 -33.209 14.385 1.00 3.06 N ATOM 1578 CA GLN A 107 33.025 -33.787 15.712 1.00 3.32 C ATOM 1579 C GLN A 107 33.515 -35.236 15.638 1.00 3.48 C ATOM 1580 O GLN A 107 34.055 -35.763 16.613 1.00 3.75 O ATOM 1581 CB GLN A 107 31.728 -33.718 16.524 1.00 3.32 C ATOM 1582 CG GLN A 107 31.948 -33.624 18.027 1.00 3.59 C ATOM 1583 CD GLN A 107 31.751 -32.217 18.560 1.00 3.56 C ATOM 1584 OE1 GLN A 107 30.630 -31.806 18.856 1.00 3.65 O ATOM 1585 NE2 GLN A 107 32.841 -31.471 18.683 1.00 4.07 N ATOM 0 H GLN A 107 31.880 -32.847 14.228 1.00 3.06 H new ATOM 0 HA GLN A 107 33.799 -33.200 16.206 1.00 3.32 H new ATOM 0 HB2 GLN A 107 31.151 -32.854 16.196 1.00 3.32 H new ATOM 0 HB3 GLN A 107 31.128 -34.602 16.309 1.00 3.32 H new ATOM 0 HG2 GLN A 107 31.259 -34.300 18.534 1.00 3.59 H new ATOM 0 HG3 GLN A 107 32.957 -33.960 18.264 1.00 3.59 H new ATOM 0 HE21 GLN A 107 33.751 -31.852 18.426 1.00 4.07 H new ATOM 0 HE22 GLN A 107 32.769 -30.516 19.035 1.00 4.07 H new TER 1594 GLN A 107