USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 595 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 45 HIS : no HE2:sc= -1.76 K(o=-1.1,f=-11!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 168:sc= 0.68 (180deg=-0.339) USER MOD Set 2.1: A 34 TYR OH : rot -34:sc= 2.17 USER MOD Set 2.2: A 36 SER OG : rot 65:sc= 1.03 USER MOD Set 3.1: A 29 HIS : no HE2:sc= 0.761 K(o=2,f=-3.6!) USER MOD Set 3.2: A 61 THR OG1 : rot 73:sc= 1.2 USER MOD Set 4.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 20 HIS :FLIP no HD1:sc= -0.179 F(o=-0.93,f=-0.18) USER MOD Set 5.1: A 14 THR OG1 : rot 180:sc= 0.173 USER MOD Set 5.2: A 15 CYS SG : rot 180:sc= 0 USER MOD Set 5.3: A 18 CYS SG : rot -130:sc= 0.2 USER MOD Single : A 1 MET CE :methyl -170:sc=-0.00225 (180deg=-0.154) USER MOD Single : A 1 MET N :NH3+ -160:sc= 0.804 (180deg=-1.16!) USER MOD Single : A 13 MET CE :methyl 148:sc= -0.585 (180deg=-1.14) USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= 1.3 (180deg=0.995) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -23:sc= 0.18 USER MOD Single : A 27 THR OG1 : rot -80:sc= 1.16 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.434 USER MOD Single : A 41 THR OG1 : rot -20:sc= 0.472 USER MOD Single : A 42 ASN : amide:sc= 0.263 X(o=0.26,f=-0.13) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 1.05 (180deg=1.05) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -0.169 K(o=-0.17,f=-1.1) USER MOD Single : A 64 SER OG : rot -30:sc= 1.27 USER MOD Single : A 70 SER OG : rot -4:sc= 1.26 USER MOD Single : A 73 LYS NZ :NH3+ -152:sc= 3.11 (180deg=1.82) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.885 -14.800 -0.081 1.00 5.58 N ATOM 2 CA MET A 1 14.260 -14.322 1.258 1.00 4.67 C ATOM 3 C MET A 1 13.039 -14.241 2.177 1.00 3.45 C ATOM 4 O MET A 1 13.119 -14.677 3.322 1.00 3.40 O ATOM 5 CB MET A 1 14.982 -12.971 1.148 1.00 5.25 C ATOM 6 CG MET A 1 15.468 -12.441 2.505 1.00 5.61 C ATOM 7 SD MET A 1 16.303 -10.832 2.466 1.00 7.26 S ATOM 8 CE MET A 1 17.753 -11.205 1.454 1.00 8.33 C ATOM 0 H1 MET A 1 14.728 -15.166 -0.568 1.00 5.58 H new ATOM 0 H2 MET A 1 13.179 -15.559 0.006 1.00 5.58 H new ATOM 0 H3 MET A 1 13.482 -14.014 -0.630 1.00 5.58 H new ATOM 0 HA MET A 1 14.947 -15.038 1.708 1.00 4.67 H new ATOM 0 HB2 MET A 1 15.835 -13.074 0.477 1.00 5.25 H new ATOM 0 HB3 MET A 1 14.309 -12.241 0.698 1.00 5.25 H new ATOM 0 HG2 MET A 1 14.611 -12.369 3.175 1.00 5.61 H new ATOM 0 HG3 MET A 1 16.150 -13.173 2.938 1.00 5.61 H new ATOM 0 HE1 MET A 1 18.447 -10.366 1.490 1.00 8.33 H new ATOM 0 HE2 MET A 1 18.244 -12.099 1.838 1.00 8.33 H new ATOM 0 HE3 MET A 1 17.443 -11.376 0.423 1.00 8.33 H new ATOM 20 N GLY A 2 11.925 -13.703 1.679 1.00 3.38 N ATOM 21 CA GLY A 2 10.707 -13.538 2.452 1.00 3.02 C ATOM 22 C GLY A 2 10.717 -12.245 3.272 1.00 2.40 C ATOM 23 O GLY A 2 11.778 -11.668 3.517 1.00 3.30 O ATOM 0 H GLY A 2 11.849 -13.369 0.718 1.00 3.38 H new ATOM 0 HA2 GLY A 2 9.849 -13.534 1.780 1.00 3.02 H new ATOM 0 HA3 GLY A 2 10.584 -14.390 3.121 1.00 3.02 H new ATOM 27 N ASP A 3 9.518 -11.792 3.662 1.00 2.09 N ATOM 28 CA ASP A 3 9.224 -10.449 4.177 1.00 1.71 C ATOM 29 C ASP A 3 9.771 -9.359 3.233 1.00 1.37 C ATOM 30 O ASP A 3 10.223 -9.654 2.126 1.00 2.26 O ATOM 31 CB ASP A 3 9.681 -10.298 5.642 1.00 2.29 C ATOM 32 CG ASP A 3 8.889 -9.236 6.407 1.00 2.89 C ATOM 33 OD1 ASP A 3 9.214 -8.039 6.236 1.00 3.44 O ATOM 34 OD2 ASP A 3 7.962 -9.628 7.146 1.00 3.83 O ATOM 0 H ASP A 3 8.686 -12.381 3.625 1.00 2.09 H new ATOM 0 HA ASP A 3 8.143 -10.309 4.193 1.00 1.71 H new ATOM 0 HB2 ASP A 3 9.578 -11.257 6.150 1.00 2.29 H new ATOM 0 HB3 ASP A 3 10.740 -10.039 5.662 1.00 2.29 H new ATOM 39 N GLY A 4 9.724 -8.088 3.633 1.00 1.11 N ATOM 40 CA GLY A 4 10.143 -6.968 2.812 1.00 1.38 C ATOM 41 C GLY A 4 9.264 -5.761 3.111 1.00 1.25 C ATOM 42 O GLY A 4 8.182 -5.625 2.543 1.00 2.01 O ATOM 0 H GLY A 4 9.386 -7.810 4.555 1.00 1.11 H new ATOM 0 HA2 GLY A 4 11.188 -6.728 3.011 1.00 1.38 H new ATOM 0 HA3 GLY A 4 10.072 -7.231 1.756 1.00 1.38 H new ATOM 46 N VAL A 5 9.727 -4.857 3.978 1.00 1.23 N ATOM 47 CA VAL A 5 8.988 -3.644 4.309 1.00 1.36 C ATOM 48 C VAL A 5 9.094 -2.641 3.153 1.00 1.53 C ATOM 49 O VAL A 5 9.767 -1.618 3.261 1.00 2.41 O ATOM 50 CB VAL A 5 9.455 -3.062 5.657 1.00 1.57 C ATOM 51 CG1 VAL A 5 8.476 -1.974 6.124 1.00 1.93 C ATOM 52 CG2 VAL A 5 9.526 -4.161 6.726 1.00 2.58 C ATOM 0 H VAL A 5 10.619 -4.947 4.465 1.00 1.23 H new ATOM 0 HA VAL A 5 7.932 -3.884 4.436 1.00 1.36 H new ATOM 0 HB VAL A 5 10.448 -2.634 5.518 1.00 1.57 H new ATOM 0 HG11 VAL A 5 8.812 -1.567 7.078 1.00 1.93 H new ATOM 0 HG12 VAL A 5 8.438 -1.176 5.382 1.00 1.93 H new ATOM 0 HG13 VAL A 5 7.482 -2.406 6.244 1.00 1.93 H new ATOM 0 HG21 VAL A 5 9.858 -3.729 7.670 1.00 2.58 H new ATOM 0 HG22 VAL A 5 8.539 -4.605 6.857 1.00 2.58 H new ATOM 0 HG23 VAL A 5 10.231 -4.930 6.411 1.00 2.58 H new ATOM 62 N LEU A 6 8.442 -2.945 2.032 1.00 1.19 N ATOM 63 CA LEU A 6 8.378 -2.046 0.890 1.00 1.19 C ATOM 64 C LEU A 6 7.498 -0.846 1.246 1.00 1.10 C ATOM 65 O LEU A 6 6.609 -0.956 2.095 1.00 1.65 O ATOM 66 CB LEU A 6 7.839 -2.816 -0.326 1.00 1.31 C ATOM 67 CG LEU A 6 7.787 -2.027 -1.646 1.00 1.32 C ATOM 68 CD1 LEU A 6 9.185 -1.599 -2.111 1.00 2.32 C ATOM 69 CD2 LEU A 6 7.148 -2.905 -2.728 1.00 1.72 C ATOM 0 H LEU A 6 7.944 -3.824 1.894 1.00 1.19 H new ATOM 0 HA LEU A 6 9.369 -1.670 0.636 1.00 1.19 H new ATOM 0 HB2 LEU A 6 8.458 -3.700 -0.477 1.00 1.31 H new ATOM 0 HB3 LEU A 6 6.833 -3.167 -0.094 1.00 1.31 H new ATOM 0 HG LEU A 6 7.197 -1.126 -1.477 1.00 1.32 H new ATOM 0 HD11 LEU A 6 9.104 -1.045 -3.046 1.00 2.32 H new ATOM 0 HD12 LEU A 6 9.643 -0.965 -1.352 1.00 2.32 H new ATOM 0 HD13 LEU A 6 9.803 -2.483 -2.266 1.00 2.32 H new ATOM 0 HD21 LEU A 6 7.107 -2.353 -3.667 1.00 1.72 H new ATOM 0 HD22 LEU A 6 7.744 -3.808 -2.863 1.00 1.72 H new ATOM 0 HD23 LEU A 6 6.138 -3.179 -2.424 1.00 1.72 H new ATOM 81 N GLU A 7 7.735 0.287 0.575 1.00 0.60 N ATOM 82 CA GLU A 7 6.884 1.460 0.639 1.00 0.59 C ATOM 83 C GLU A 7 6.532 1.930 -0.774 1.00 0.63 C ATOM 84 O GLU A 7 7.346 1.789 -1.688 1.00 0.90 O ATOM 85 CB GLU A 7 7.572 2.595 1.399 1.00 0.68 C ATOM 86 CG GLU A 7 8.075 2.225 2.802 1.00 0.69 C ATOM 87 CD GLU A 7 8.312 3.483 3.626 1.00 1.25 C ATOM 88 OE1 GLU A 7 9.050 4.377 3.151 1.00 1.89 O ATOM 89 OE2 GLU A 7 7.649 3.664 4.673 1.00 2.54 O ATOM 0 H GLU A 7 8.542 0.407 -0.037 1.00 0.60 H new ATOM 0 HA GLU A 7 5.972 1.188 1.171 1.00 0.59 H new ATOM 0 HB2 GLU A 7 8.417 2.948 0.808 1.00 0.68 H new ATOM 0 HB3 GLU A 7 6.875 3.428 1.487 1.00 0.68 H new ATOM 0 HG2 GLU A 7 7.345 1.587 3.301 1.00 0.69 H new ATOM 0 HG3 GLU A 7 8.999 1.653 2.725 1.00 0.69 H new ATOM 96 N LEU A 8 5.340 2.511 -0.941 1.00 0.52 N ATOM 97 CA LEU A 8 4.927 3.236 -2.142 1.00 0.53 C ATOM 98 C LEU A 8 4.308 4.556 -1.684 1.00 0.53 C ATOM 99 O LEU A 8 3.525 4.563 -0.734 1.00 0.59 O ATOM 100 CB LEU A 8 3.987 2.422 -3.069 1.00 0.56 C ATOM 101 CG LEU A 8 3.287 1.218 -2.418 1.00 0.70 C ATOM 102 CD1 LEU A 8 1.941 0.909 -3.077 1.00 1.49 C ATOM 103 CD2 LEU A 8 4.153 -0.043 -2.556 1.00 1.79 C ATOM 0 H LEU A 8 4.616 2.488 -0.222 1.00 0.52 H new ATOM 0 HA LEU A 8 5.799 3.424 -2.768 1.00 0.53 H new ATOM 0 HB2 LEU A 8 3.224 3.094 -3.462 1.00 0.56 H new ATOM 0 HB3 LEU A 8 4.567 2.065 -3.920 1.00 0.56 H new ATOM 0 HG LEU A 8 3.132 1.484 -1.372 1.00 0.70 H new ATOM 0 HD11 LEU A 8 1.483 0.051 -2.584 1.00 1.49 H new ATOM 0 HD12 LEU A 8 1.284 1.774 -2.985 1.00 1.49 H new ATOM 0 HD13 LEU A 8 2.096 0.682 -4.132 1.00 1.49 H new ATOM 0 HD21 LEU A 8 3.644 -0.887 -2.090 1.00 1.79 H new ATOM 0 HD22 LEU A 8 4.319 -0.257 -3.612 1.00 1.79 H new ATOM 0 HD23 LEU A 8 5.112 0.119 -2.064 1.00 1.79 H new ATOM 115 N VAL A 9 4.690 5.668 -2.322 1.00 0.61 N ATOM 116 CA VAL A 9 4.058 6.964 -2.123 1.00 0.68 C ATOM 117 C VAL A 9 2.770 6.924 -2.934 1.00 0.68 C ATOM 118 O VAL A 9 2.826 6.887 -4.161 1.00 0.93 O ATOM 119 CB VAL A 9 4.996 8.109 -2.551 1.00 0.79 C ATOM 120 CG1 VAL A 9 4.275 9.457 -2.688 1.00 1.06 C ATOM 121 CG2 VAL A 9 6.113 8.287 -1.516 1.00 0.94 C ATOM 0 H VAL A 9 5.455 5.687 -2.996 1.00 0.61 H new ATOM 0 HA VAL A 9 3.839 7.156 -1.073 1.00 0.68 H new ATOM 0 HB VAL A 9 5.391 7.825 -3.526 1.00 0.79 H new ATOM 0 HG11 VAL A 9 4.989 10.222 -2.992 1.00 1.06 H new ATOM 0 HG12 VAL A 9 3.490 9.375 -3.439 1.00 1.06 H new ATOM 0 HG13 VAL A 9 3.833 9.732 -1.730 1.00 1.06 H new ATOM 0 HG21 VAL A 9 6.771 9.098 -1.827 1.00 0.94 H new ATOM 0 HG22 VAL A 9 5.676 8.525 -0.546 1.00 0.94 H new ATOM 0 HG23 VAL A 9 6.687 7.364 -1.438 1.00 0.94 H new ATOM 131 N VAL A 10 1.623 6.872 -2.259 1.00 0.79 N ATOM 132 CA VAL A 10 0.333 6.711 -2.901 1.00 0.81 C ATOM 133 C VAL A 10 -0.393 8.057 -2.901 1.00 0.85 C ATOM 134 O VAL A 10 -0.820 8.549 -1.857 1.00 1.22 O ATOM 135 CB VAL A 10 -0.456 5.525 -2.315 1.00 0.87 C ATOM 136 CG1 VAL A 10 0.441 4.304 -2.103 1.00 1.79 C ATOM 137 CG2 VAL A 10 -1.112 5.819 -0.977 1.00 1.18 C ATOM 0 H VAL A 10 1.570 6.942 -1.243 1.00 0.79 H new ATOM 0 HA VAL A 10 0.457 6.430 -3.947 1.00 0.81 H new ATOM 0 HB VAL A 10 -1.231 5.333 -3.057 1.00 0.87 H new ATOM 0 HG11 VAL A 10 -0.149 3.487 -1.689 1.00 1.79 H new ATOM 0 HG12 VAL A 10 0.868 3.996 -3.058 1.00 1.79 H new ATOM 0 HG13 VAL A 10 1.244 4.558 -1.412 1.00 1.79 H new ATOM 0 HG21 VAL A 10 -1.648 4.934 -0.632 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -0.347 6.087 -0.248 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -1.813 6.646 -1.089 1.00 1.18 H new ATOM 147 N ARG A 11 -0.520 8.677 -4.076 1.00 0.78 N ATOM 148 CA ARG A 11 -1.375 9.852 -4.213 1.00 0.84 C ATOM 149 C ARG A 11 -2.828 9.374 -4.124 1.00 0.93 C ATOM 150 O ARG A 11 -3.103 8.222 -4.460 1.00 1.07 O ATOM 151 CB ARG A 11 -1.153 10.615 -5.536 1.00 1.13 C ATOM 152 CG ARG A 11 0.129 10.323 -6.325 1.00 1.92 C ATOM 153 CD ARG A 11 1.442 10.789 -5.693 1.00 2.63 C ATOM 154 NE ARG A 11 1.815 12.137 -6.143 1.00 2.52 N ATOM 155 CZ ARG A 11 2.303 12.433 -7.363 1.00 3.18 C ATOM 156 NH1 ARG A 11 2.408 11.502 -8.318 1.00 3.99 N ATOM 157 NH2 ARG A 11 2.688 13.688 -7.628 1.00 4.00 N ATOM 0 H ARG A 11 -0.048 8.389 -4.933 1.00 0.78 H new ATOM 0 HA ARG A 11 -1.128 10.555 -3.417 1.00 0.84 H new ATOM 0 HB2 ARG A 11 -2.002 10.408 -6.188 1.00 1.13 H new ATOM 0 HB3 ARG A 11 -1.174 11.682 -5.314 1.00 1.13 H new ATOM 0 HG2 ARG A 11 0.192 9.247 -6.487 1.00 1.92 H new ATOM 0 HG3 ARG A 11 0.039 10.789 -7.306 1.00 1.92 H new ATOM 0 HD2 ARG A 11 1.346 10.782 -4.607 1.00 2.63 H new ATOM 0 HD3 ARG A 11 2.237 10.088 -5.947 1.00 2.63 H new ATOM 0 HE ARG A 11 1.696 12.905 -5.483 1.00 2.52 H new ATOM 0 HH11 ARG A 11 2.115 10.543 -8.130 1.00 3.99 H new ATOM 0 HH12 ARG A 11 2.781 11.751 -9.234 1.00 3.99 H new ATOM 0 HH21 ARG A 11 2.610 14.408 -6.910 1.00 4.00 H new ATOM 0 HH22 ARG A 11 3.059 13.924 -8.548 1.00 4.00 H new ATOM 171 N GLY A 12 -3.756 10.251 -3.722 1.00 1.01 N ATOM 172 CA GLY A 12 -5.194 10.006 -3.826 1.00 1.09 C ATOM 173 C GLY A 12 -5.926 10.094 -2.487 1.00 0.92 C ATOM 174 O GLY A 12 -7.140 10.279 -2.467 1.00 1.05 O ATOM 0 H GLY A 12 -3.525 11.156 -3.313 1.00 1.01 H new ATOM 0 HA2 GLY A 12 -5.629 10.729 -4.517 1.00 1.09 H new ATOM 0 HA3 GLY A 12 -5.356 9.017 -4.255 1.00 1.09 H new ATOM 178 N MET A 13 -5.216 9.971 -1.361 1.00 0.87 N ATOM 179 CA MET A 13 -5.798 10.221 -0.046 1.00 0.86 C ATOM 180 C MET A 13 -6.335 11.659 0.047 1.00 1.02 C ATOM 181 O MET A 13 -5.551 12.595 0.184 1.00 1.60 O ATOM 182 CB MET A 13 -4.749 9.948 1.044 1.00 1.08 C ATOM 183 CG MET A 13 -4.800 8.506 1.558 1.00 1.45 C ATOM 184 SD MET A 13 -3.501 8.059 2.731 1.00 2.19 S ATOM 185 CE MET A 13 -2.160 7.704 1.586 1.00 1.08 C ATOM 0 H MET A 13 -4.233 9.698 -1.338 1.00 0.87 H new ATOM 0 HA MET A 13 -6.641 9.546 0.105 1.00 0.86 H new ATOM 0 HB2 MET A 13 -3.755 10.154 0.647 1.00 1.08 H new ATOM 0 HB3 MET A 13 -4.908 10.633 1.877 1.00 1.08 H new ATOM 0 HG2 MET A 13 -5.768 8.341 2.032 1.00 1.45 H new ATOM 0 HG3 MET A 13 -4.744 7.831 0.704 1.00 1.45 H new ATOM 0 HE1 MET A 13 -1.208 7.964 2.049 1.00 1.08 H new ATOM 0 HE2 MET A 13 -2.165 6.643 1.338 1.00 1.08 H new ATOM 0 HE3 MET A 13 -2.293 8.290 0.677 1.00 1.08 H new ATOM 195 N THR A 14 -7.660 11.830 -0.021 1.00 1.07 N ATOM 196 CA THR A 14 -8.323 13.118 0.111 1.00 1.43 C ATOM 197 C THR A 14 -8.695 13.380 1.575 1.00 1.38 C ATOM 198 O THR A 14 -8.000 14.103 2.282 1.00 2.19 O ATOM 199 CB THR A 14 -9.572 13.135 -0.789 1.00 1.95 C ATOM 200 OG1 THR A 14 -10.337 11.962 -0.560 1.00 3.67 O ATOM 201 CG2 THR A 14 -9.202 13.203 -2.272 1.00 2.01 C ATOM 0 H THR A 14 -8.308 11.057 -0.173 1.00 1.07 H new ATOM 0 HA THR A 14 -7.647 13.913 -0.205 1.00 1.43 H new ATOM 0 HB THR A 14 -10.149 14.025 -0.538 1.00 1.95 H new ATOM 0 HG1 THR A 14 -11.133 11.974 -1.132 1.00 3.67 H new ATOM 0 HG21 THR A 14 -10.111 13.213 -2.874 1.00 2.01 H new ATOM 0 HG22 THR A 14 -8.630 14.111 -2.463 1.00 2.01 H new ATOM 0 HG23 THR A 14 -8.601 12.333 -2.537 1.00 2.01 H new ATOM 209 N CYS A 15 -9.837 12.835 2.003 1.00 1.57 N ATOM 210 CA CYS A 15 -10.544 13.292 3.194 1.00 1.88 C ATOM 211 C CYS A 15 -9.900 12.744 4.465 1.00 1.83 C ATOM 212 O CYS A 15 -9.353 13.497 5.266 1.00 3.46 O ATOM 213 CB CYS A 15 -12.027 12.899 3.121 1.00 2.19 C ATOM 214 SG CYS A 15 -12.855 13.819 1.801 1.00 3.91 S ATOM 0 H CYS A 15 -10.297 12.059 1.527 1.00 1.57 H new ATOM 0 HA CYS A 15 -10.475 14.379 3.231 1.00 1.88 H new ATOM 0 HB2 CYS A 15 -12.118 11.828 2.940 1.00 2.19 H new ATOM 0 HB3 CYS A 15 -12.512 13.103 4.076 1.00 2.19 H new ATOM 0 HG CYS A 15 -14.107 13.474 1.751 1.00 3.91 H new ATOM 220 N ALA A 16 -10.007 11.427 4.666 1.00 1.34 N ATOM 221 CA ALA A 16 -9.529 10.734 5.856 1.00 1.12 C ATOM 222 C ALA A 16 -9.708 9.235 5.658 1.00 0.92 C ATOM 223 O ALA A 16 -8.732 8.491 5.636 1.00 1.77 O ATOM 224 CB ALA A 16 -10.294 11.184 7.109 1.00 1.35 C ATOM 0 H ALA A 16 -10.440 10.802 3.986 1.00 1.34 H new ATOM 0 HA ALA A 16 -8.476 10.975 6.001 1.00 1.12 H new ATOM 0 HB1 ALA A 16 -9.914 10.649 7.979 1.00 1.35 H new ATOM 0 HB2 ALA A 16 -10.157 12.256 7.254 1.00 1.35 H new ATOM 0 HB3 ALA A 16 -11.355 10.967 6.985 1.00 1.35 H new ATOM 230 N SER A 17 -10.972 8.817 5.490 1.00 0.61 N ATOM 231 CA SER A 17 -11.391 7.422 5.362 1.00 0.55 C ATOM 232 C SER A 17 -10.421 6.633 4.483 1.00 0.54 C ATOM 233 O SER A 17 -9.966 5.565 4.877 1.00 0.70 O ATOM 234 CB SER A 17 -12.829 7.351 4.832 1.00 0.95 C ATOM 235 OG SER A 17 -13.241 6.005 4.723 1.00 2.91 O ATOM 0 H SER A 17 -11.755 9.469 5.438 1.00 0.61 H new ATOM 0 HA SER A 17 -11.372 6.958 6.348 1.00 0.55 H new ATOM 0 HB2 SER A 17 -13.498 7.891 5.502 1.00 0.95 H new ATOM 0 HB3 SER A 17 -12.890 7.838 3.859 1.00 0.95 H new ATOM 0 HG SER A 17 -14.160 5.971 4.385 1.00 2.91 H new ATOM 241 N CYS A 18 -10.060 7.206 3.331 1.00 0.60 N ATOM 242 CA CYS A 18 -8.987 6.781 2.431 1.00 0.52 C ATOM 243 C CYS A 18 -7.896 5.956 3.126 1.00 0.46 C ATOM 244 O CYS A 18 -7.579 4.859 2.674 1.00 0.48 O ATOM 245 CB CYS A 18 -8.359 8.012 1.772 1.00 0.62 C ATOM 246 SG CYS A 18 -9.553 8.971 0.808 1.00 0.85 S ATOM 0 H CYS A 18 -10.542 8.034 2.980 1.00 0.60 H new ATOM 0 HA CYS A 18 -9.441 6.129 1.685 1.00 0.52 H new ATOM 0 HB2 CYS A 18 -7.924 8.649 2.542 1.00 0.62 H new ATOM 0 HB3 CYS A 18 -7.544 7.695 1.122 1.00 0.62 H new ATOM 0 HG CYS A 18 -9.068 9.204 -0.375 1.00 0.85 H new ATOM 252 N VAL A 19 -7.338 6.459 4.230 1.00 0.44 N ATOM 253 CA VAL A 19 -6.351 5.740 5.029 1.00 0.42 C ATOM 254 C VAL A 19 -6.840 4.319 5.340 1.00 0.42 C ATOM 255 O VAL A 19 -6.225 3.338 4.926 1.00 0.44 O ATOM 256 CB VAL A 19 -6.058 6.535 6.316 1.00 0.48 C ATOM 257 CG1 VAL A 19 -5.125 5.762 7.255 1.00 0.60 C ATOM 258 CG2 VAL A 19 -5.405 7.884 5.985 1.00 0.54 C ATOM 0 H VAL A 19 -7.563 7.385 4.595 1.00 0.44 H new ATOM 0 HA VAL A 19 -5.424 5.645 4.464 1.00 0.42 H new ATOM 0 HB VAL A 19 -7.015 6.695 6.813 1.00 0.48 H new ATOM 0 HG11 VAL A 19 -4.940 6.353 8.152 1.00 0.60 H new ATOM 0 HG12 VAL A 19 -5.590 4.816 7.533 1.00 0.60 H new ATOM 0 HG13 VAL A 19 -4.180 5.566 6.749 1.00 0.60 H new ATOM 0 HG21 VAL A 19 -5.207 8.429 6.908 1.00 0.54 H new ATOM 0 HG22 VAL A 19 -4.467 7.714 5.456 1.00 0.54 H new ATOM 0 HG23 VAL A 19 -6.076 8.469 5.356 1.00 0.54 H new ATOM 268 N HIS A 20 -7.966 4.205 6.048 1.00 0.46 N ATOM 269 CA HIS A 20 -8.520 2.930 6.465 1.00 0.53 C ATOM 270 C HIS A 20 -9.056 2.164 5.252 1.00 0.54 C ATOM 271 O HIS A 20 -9.070 0.937 5.255 1.00 0.62 O ATOM 272 CB HIS A 20 -9.547 3.158 7.591 1.00 0.60 C ATOM 273 CG HIS A 20 -10.961 2.720 7.306 1.00 0.66 C ATOM 274 ND1 HIS A 20 -11.770 3.156 6.291 1.00 1.01 N flip ATOM 275 CD2 HIS A 20 -11.677 1.808 8.044 1.00 0.59 C flip ATOM 276 CE1 HIS A 20 -12.990 2.486 6.394 1.00 1.08 C flip ATOM 277 NE2 HIS A 20 -12.886 1.695 7.472 1.00 0.82 N flip ATOM 0 H HIS A 20 -8.519 5.008 6.347 1.00 0.46 H new ATOM 0 HA HIS A 20 -7.747 2.289 6.890 1.00 0.53 H new ATOM 0 HB2 HIS A 20 -9.200 2.634 8.482 1.00 0.60 H new ATOM 0 HB3 HIS A 20 -9.560 4.221 7.831 1.00 0.60 H new ATOM 0 HD2 HIS A 20 -11.331 1.281 8.921 1.00 0.59 H new ATOM 0 HE1 HIS A 20 -13.843 2.584 5.739 1.00 1.08 H new ATOM 0 HE2 HIS A 20 -13.630 1.086 7.813 1.00 0.82 H new ATOM 285 N LYS A 21 -9.492 2.884 4.212 1.00 0.53 N ATOM 286 CA LYS A 21 -9.935 2.316 2.945 1.00 0.58 C ATOM 287 C LYS A 21 -8.822 1.412 2.435 1.00 0.62 C ATOM 288 O LYS A 21 -9.042 0.237 2.147 1.00 0.82 O ATOM 289 CB LYS A 21 -10.237 3.457 1.953 1.00 0.58 C ATOM 290 CG LYS A 21 -11.364 3.205 0.944 1.00 0.77 C ATOM 291 CD LYS A 21 -10.946 2.229 -0.166 1.00 1.09 C ATOM 292 CE LYS A 21 -11.903 2.288 -1.373 1.00 1.49 C ATOM 293 NZ LYS A 21 -11.598 3.389 -2.319 1.00 3.03 N ATOM 0 H LYS A 21 -9.546 3.902 4.234 1.00 0.53 H new ATOM 0 HA LYS A 21 -10.848 1.733 3.064 1.00 0.58 H new ATOM 0 HB2 LYS A 21 -10.485 4.351 2.526 1.00 0.58 H new ATOM 0 HB3 LYS A 21 -9.325 3.677 1.398 1.00 0.58 H new ATOM 0 HG2 LYS A 21 -12.234 2.807 1.466 1.00 0.77 H new ATOM 0 HG3 LYS A 21 -11.667 4.152 0.497 1.00 0.77 H new ATOM 0 HD2 LYS A 21 -9.933 2.464 -0.494 1.00 1.09 H new ATOM 0 HD3 LYS A 21 -10.925 1.214 0.232 1.00 1.09 H new ATOM 0 HE2 LYS A 21 -11.860 1.339 -1.907 1.00 1.49 H new ATOM 0 HE3 LYS A 21 -12.925 2.404 -1.011 1.00 1.49 H new ATOM 0 HZ1 LYS A 21 -12.467 3.671 -2.816 1.00 3.03 H new ATOM 0 HZ2 LYS A 21 -11.220 4.203 -1.794 1.00 3.03 H new ATOM 0 HZ3 LYS A 21 -10.893 3.066 -3.012 1.00 3.03 H new ATOM 307 N ILE A 22 -7.614 1.972 2.366 1.00 0.46 N ATOM 308 CA ILE A 22 -6.434 1.256 1.932 1.00 0.44 C ATOM 309 C ILE A 22 -6.152 0.182 2.964 1.00 0.48 C ATOM 310 O ILE A 22 -6.159 -0.997 2.630 1.00 0.53 O ATOM 311 CB ILE A 22 -5.233 2.200 1.749 1.00 0.45 C ATOM 312 CG1 ILE A 22 -5.527 3.232 0.664 1.00 0.38 C ATOM 313 CG2 ILE A 22 -4.020 1.375 1.305 1.00 0.56 C ATOM 314 CD1 ILE A 22 -4.552 4.405 0.545 1.00 0.54 C ATOM 0 H ILE A 22 -7.435 2.945 2.614 1.00 0.46 H new ATOM 0 HA ILE A 22 -6.605 0.803 0.956 1.00 0.44 H new ATOM 0 HB ILE A 22 -5.038 2.709 2.693 1.00 0.45 H new ATOM 0 HG12 ILE A 22 -5.557 2.716 -0.296 1.00 0.38 H new ATOM 0 HG13 ILE A 22 -6.524 3.636 0.840 1.00 0.38 H new ATOM 0 HG21 ILE A 22 -3.161 2.033 1.172 1.00 0.56 H new ATOM 0 HG22 ILE A 22 -3.790 0.628 2.065 1.00 0.56 H new ATOM 0 HG23 ILE A 22 -4.245 0.876 0.362 1.00 0.56 H new ATOM 0 HD11 ILE A 22 -4.873 5.064 -0.261 1.00 0.54 H new ATOM 0 HD12 ILE A 22 -4.535 4.960 1.483 1.00 0.54 H new ATOM 0 HD13 ILE A 22 -3.553 4.027 0.329 1.00 0.54 H new ATOM 326 N GLU A 23 -5.913 0.595 4.210 1.00 0.49 N ATOM 327 CA GLU A 23 -5.451 -0.286 5.267 1.00 0.45 C ATOM 328 C GLU A 23 -6.280 -1.575 5.295 1.00 0.43 C ATOM 329 O GLU A 23 -5.750 -2.684 5.223 1.00 0.47 O ATOM 330 CB GLU A 23 -5.505 0.463 6.609 1.00 0.55 C ATOM 331 CG GLU A 23 -4.462 -0.094 7.591 1.00 1.06 C ATOM 332 CD GLU A 23 -3.481 0.954 8.114 1.00 1.78 C ATOM 333 OE1 GLU A 23 -3.034 1.785 7.295 1.00 2.85 O ATOM 334 OE2 GLU A 23 -3.170 0.897 9.324 1.00 2.80 O ATOM 0 H GLU A 23 -6.038 1.562 4.510 1.00 0.49 H new ATOM 0 HA GLU A 23 -4.418 -0.578 5.079 1.00 0.45 H new ATOM 0 HB2 GLU A 23 -5.324 1.525 6.445 1.00 0.55 H new ATOM 0 HB3 GLU A 23 -6.502 0.372 7.041 1.00 0.55 H new ATOM 0 HG2 GLU A 23 -4.979 -0.547 8.437 1.00 1.06 H new ATOM 0 HG3 GLU A 23 -3.901 -0.888 7.098 1.00 1.06 H new ATOM 341 N SER A 24 -7.602 -1.408 5.334 1.00 0.47 N ATOM 342 CA SER A 24 -8.559 -2.503 5.399 1.00 0.54 C ATOM 343 C SER A 24 -8.526 -3.296 4.092 1.00 0.52 C ATOM 344 O SER A 24 -8.285 -4.506 4.075 1.00 0.71 O ATOM 345 CB SER A 24 -9.955 -1.936 5.693 1.00 0.63 C ATOM 346 OG SER A 24 -10.886 -2.979 5.893 1.00 1.60 O ATOM 0 H SER A 24 -8.042 -0.488 5.321 1.00 0.47 H new ATOM 0 HA SER A 24 -8.297 -3.189 6.204 1.00 0.54 H new ATOM 0 HB2 SER A 24 -9.916 -1.302 6.579 1.00 0.63 H new ATOM 0 HB3 SER A 24 -10.279 -1.307 4.864 1.00 0.63 H new ATOM 0 HG SER A 24 -11.769 -2.598 6.081 1.00 1.60 H new ATOM 352 N SER A 25 -8.754 -2.602 2.972 1.00 0.56 N ATOM 353 CA SER A 25 -8.895 -3.256 1.680 1.00 0.68 C ATOM 354 C SER A 25 -7.608 -3.943 1.231 1.00 0.79 C ATOM 355 O SER A 25 -7.665 -4.764 0.320 1.00 1.16 O ATOM 356 CB SER A 25 -9.336 -2.240 0.635 1.00 0.90 C ATOM 357 OG SER A 25 -9.762 -2.911 -0.535 1.00 1.09 O ATOM 0 H SER A 25 -8.844 -1.586 2.941 1.00 0.56 H new ATOM 0 HA SER A 25 -9.652 -4.032 1.788 1.00 0.68 H new ATOM 0 HB2 SER A 25 -10.147 -1.627 1.029 1.00 0.90 H new ATOM 0 HB3 SER A 25 -8.512 -1.566 0.399 1.00 0.90 H new ATOM 0 HG SER A 25 -9.350 -3.800 -0.571 1.00 1.09 H new ATOM 363 N LEU A 26 -6.467 -3.580 1.820 1.00 0.69 N ATOM 364 CA LEU A 26 -5.189 -4.232 1.588 1.00 0.81 C ATOM 365 C LEU A 26 -4.946 -5.355 2.584 1.00 0.73 C ATOM 366 O LEU A 26 -4.567 -6.431 2.145 1.00 0.83 O ATOM 367 CB LEU A 26 -4.027 -3.238 1.593 1.00 1.03 C ATOM 368 CG LEU A 26 -3.760 -2.622 0.214 1.00 1.29 C ATOM 369 CD1 LEU A 26 -3.084 -3.620 -0.734 1.00 2.09 C ATOM 370 CD2 LEU A 26 -5.003 -2.032 -0.464 1.00 2.72 C ATOM 0 H LEU A 26 -6.411 -2.808 2.484 1.00 0.69 H new ATOM 0 HA LEU A 26 -5.238 -4.671 0.591 1.00 0.81 H new ATOM 0 HB2 LEU A 26 -4.241 -2.441 2.306 1.00 1.03 H new ATOM 0 HB3 LEU A 26 -3.126 -3.743 1.940 1.00 1.03 H new ATOM 0 HG LEU A 26 -3.084 -1.791 0.414 1.00 1.29 H new ATOM 0 HD11 LEU A 26 -2.912 -3.145 -1.700 1.00 2.09 H new ATOM 0 HD12 LEU A 26 -2.131 -3.936 -0.310 1.00 2.09 H new ATOM 0 HD13 LEU A 26 -3.728 -4.489 -0.867 1.00 2.09 H new ATOM 0 HD21 LEU A 26 -4.726 -1.617 -1.433 1.00 2.72 H new ATOM 0 HD22 LEU A 26 -5.748 -2.816 -0.603 1.00 2.72 H new ATOM 0 HD23 LEU A 26 -5.419 -1.243 0.162 1.00 2.72 H new ATOM 382 N THR A 27 -5.150 -5.161 3.894 1.00 0.66 N ATOM 383 CA THR A 27 -4.948 -6.260 4.844 1.00 0.81 C ATOM 384 C THR A 27 -5.755 -7.501 4.451 1.00 1.00 C ATOM 385 O THR A 27 -5.295 -8.630 4.613 1.00 2.25 O ATOM 386 CB THR A 27 -5.276 -5.852 6.283 1.00 0.81 C ATOM 387 OG1 THR A 27 -6.462 -5.095 6.352 1.00 0.80 O ATOM 388 CG2 THR A 27 -4.122 -5.065 6.908 1.00 0.80 C ATOM 0 H THR A 27 -5.447 -4.278 4.311 1.00 0.66 H new ATOM 0 HA THR A 27 -3.887 -6.508 4.801 1.00 0.81 H new ATOM 0 HB THR A 27 -5.424 -6.772 6.848 1.00 0.81 H new ATOM 0 HG1 THR A 27 -6.272 -4.166 6.104 1.00 0.80 H new ATOM 0 HG21 THR A 27 -4.382 -4.788 7.930 1.00 0.80 H new ATOM 0 HG22 THR A 27 -3.223 -5.682 6.917 1.00 0.80 H new ATOM 0 HG23 THR A 27 -3.938 -4.164 6.323 1.00 0.80 H new ATOM 396 N LYS A 28 -6.947 -7.274 3.893 1.00 1.12 N ATOM 397 CA LYS A 28 -7.720 -8.253 3.143 1.00 1.23 C ATOM 398 C LYS A 28 -6.842 -9.261 2.373 1.00 0.99 C ATOM 399 O LYS A 28 -7.088 -10.466 2.439 1.00 1.07 O ATOM 400 CB LYS A 28 -8.623 -7.451 2.199 1.00 1.52 C ATOM 401 CG LYS A 28 -9.329 -8.254 1.108 1.00 1.65 C ATOM 402 CD LYS A 28 -10.303 -9.293 1.674 1.00 2.16 C ATOM 403 CE LYS A 28 -11.033 -9.985 0.515 1.00 3.04 C ATOM 404 NZ LYS A 28 -11.996 -11.000 0.991 1.00 4.92 N ATOM 0 H LYS A 28 -7.413 -6.369 3.957 1.00 1.12 H new ATOM 0 HA LYS A 28 -8.302 -8.871 3.826 1.00 1.23 H new ATOM 0 HB2 LYS A 28 -9.380 -6.943 2.796 1.00 1.52 H new ATOM 0 HB3 LYS A 28 -8.021 -6.678 1.722 1.00 1.52 H new ATOM 0 HG2 LYS A 28 -9.872 -7.571 0.454 1.00 1.65 H new ATOM 0 HG3 LYS A 28 -8.583 -8.758 0.494 1.00 1.65 H new ATOM 0 HD2 LYS A 28 -9.763 -10.029 2.270 1.00 2.16 H new ATOM 0 HD3 LYS A 28 -11.022 -8.812 2.337 1.00 2.16 H new ATOM 0 HE2 LYS A 28 -11.559 -9.238 -0.079 1.00 3.04 H new ATOM 0 HE3 LYS A 28 -10.303 -10.458 -0.142 1.00 3.04 H new ATOM 0 HZ1 LYS A 28 -12.466 -11.442 0.175 1.00 4.92 H new ATOM 0 HZ2 LYS A 28 -11.492 -11.728 1.536 1.00 4.92 H new ATOM 0 HZ3 LYS A 28 -12.709 -10.545 1.597 1.00 4.92 H new ATOM 418 N HIS A 29 -5.843 -8.788 1.621 1.00 0.86 N ATOM 419 CA HIS A 29 -4.922 -9.623 0.859 1.00 0.83 C ATOM 420 C HIS A 29 -3.899 -10.297 1.789 1.00 1.07 C ATOM 421 O HIS A 29 -2.701 -10.069 1.642 1.00 1.94 O ATOM 422 CB HIS A 29 -4.192 -8.776 -0.197 1.00 0.98 C ATOM 423 CG HIS A 29 -5.008 -8.274 -1.353 1.00 1.14 C ATOM 424 ND1 HIS A 29 -4.730 -8.518 -2.680 1.00 1.69 N ATOM 425 CD2 HIS A 29 -5.914 -7.250 -1.306 1.00 1.29 C ATOM 426 CE1 HIS A 29 -5.499 -7.701 -3.410 1.00 2.21 C ATOM 427 NE2 HIS A 29 -6.256 -6.922 -2.618 1.00 2.00 N ATOM 0 H HIS A 29 -5.652 -7.791 1.526 1.00 0.86 H new ATOM 0 HA HIS A 29 -5.499 -10.401 0.359 1.00 0.83 H new ATOM 0 HB2 HIS A 29 -3.751 -7.915 0.305 1.00 0.98 H new ATOM 0 HB3 HIS A 29 -3.369 -9.368 -0.596 1.00 0.98 H new ATOM 0 HD1 HIS A 29 -4.060 -9.197 -3.041 1.00 1.69 H new ATOM 0 HD2 HIS A 29 -6.296 -6.779 -0.412 1.00 1.29 H new ATOM 0 HE1 HIS A 29 -5.510 -7.672 -4.490 1.00 2.21 H new ATOM 435 N ARG A 30 -4.375 -11.158 2.696 1.00 1.66 N ATOM 436 CA ARG A 30 -3.652 -11.964 3.689 1.00 2.07 C ATOM 437 C ARG A 30 -2.131 -11.763 3.786 1.00 2.22 C ATOM 438 O ARG A 30 -1.630 -11.379 4.840 1.00 3.89 O ATOM 439 CB ARG A 30 -3.973 -13.451 3.485 1.00 2.43 C ATOM 440 CG ARG A 30 -5.480 -13.740 3.558 1.00 3.22 C ATOM 441 CD ARG A 30 -5.744 -15.249 3.639 1.00 3.58 C ATOM 442 NE ARG A 30 -5.214 -15.954 2.459 1.00 3.29 N ATOM 443 CZ ARG A 30 -5.108 -17.288 2.341 1.00 3.83 C ATOM 444 NH1 ARG A 30 -5.546 -18.081 3.325 1.00 4.58 N ATOM 445 NH2 ARG A 30 -4.564 -17.821 1.240 1.00 4.57 N ATOM 0 H ARG A 30 -5.379 -11.325 2.760 1.00 1.66 H new ATOM 0 HA ARG A 30 -4.021 -11.593 4.645 1.00 2.07 H new ATOM 0 HB2 ARG A 30 -3.591 -13.773 2.516 1.00 2.43 H new ATOM 0 HB3 ARG A 30 -3.456 -14.039 4.243 1.00 2.43 H new ATOM 0 HG2 ARG A 30 -5.908 -13.245 4.430 1.00 3.22 H new ATOM 0 HG3 ARG A 30 -5.977 -13.326 2.680 1.00 3.22 H new ATOM 0 HD2 ARG A 30 -5.285 -15.652 4.542 1.00 3.58 H new ATOM 0 HD3 ARG A 30 -6.816 -15.428 3.720 1.00 3.58 H new ATOM 0 HE ARG A 30 -4.904 -15.386 1.671 1.00 3.29 H new ATOM 0 HH11 ARG A 30 -5.960 -17.673 4.163 1.00 4.58 H new ATOM 0 HH12 ARG A 30 -5.466 -19.094 3.237 1.00 4.58 H new ATOM 0 HH21 ARG A 30 -4.230 -17.214 0.491 1.00 4.57 H new ATOM 0 HH22 ARG A 30 -4.483 -18.834 1.150 1.00 4.57 H new ATOM 459 N GLY A 31 -1.394 -12.091 2.718 1.00 0.98 N ATOM 460 CA GLY A 31 0.050 -11.933 2.635 1.00 0.97 C ATOM 461 C GLY A 31 0.521 -10.567 3.139 1.00 0.91 C ATOM 462 O GLY A 31 1.472 -10.500 3.915 1.00 1.35 O ATOM 0 H GLY A 31 -1.803 -12.483 1.870 1.00 0.98 H new ATOM 0 HA2 GLY A 31 0.532 -12.718 3.218 1.00 0.97 H new ATOM 0 HA3 GLY A 31 0.368 -12.064 1.601 1.00 0.97 H new ATOM 466 N ILE A 32 -0.141 -9.479 2.726 1.00 0.99 N ATOM 467 CA ILE A 32 0.074 -8.177 3.337 1.00 1.06 C ATOM 468 C ILE A 32 -0.586 -8.187 4.717 1.00 1.66 C ATOM 469 O ILE A 32 -1.725 -7.760 4.887 1.00 2.80 O ATOM 470 CB ILE A 32 -0.342 -7.019 2.402 1.00 1.59 C ATOM 471 CG1 ILE A 32 -0.409 -5.643 3.078 1.00 1.20 C ATOM 472 CG2 ILE A 32 -1.652 -7.247 1.664 1.00 2.87 C ATOM 473 CD1 ILE A 32 0.832 -5.412 3.919 1.00 1.98 C ATOM 0 H ILE A 32 -0.828 -9.482 1.972 1.00 0.99 H new ATOM 0 HA ILE A 32 1.136 -7.986 3.491 1.00 1.06 H new ATOM 0 HB ILE A 32 0.476 -7.016 1.681 1.00 1.59 H new ATOM 0 HG12 ILE A 32 -0.496 -4.862 2.322 1.00 1.20 H new ATOM 0 HG13 ILE A 32 -1.299 -5.580 3.705 1.00 1.20 H new ATOM 0 HG21 ILE A 32 -1.868 -6.386 1.031 1.00 2.87 H new ATOM 0 HG22 ILE A 32 -1.570 -8.141 1.046 1.00 2.87 H new ATOM 0 HG23 ILE A 32 -2.458 -7.378 2.386 1.00 2.87 H new ATOM 0 HD11 ILE A 32 0.773 -4.432 4.394 1.00 1.98 H new ATOM 0 HD12 ILE A 32 0.900 -6.183 4.686 1.00 1.98 H new ATOM 0 HD13 ILE A 32 1.716 -5.454 3.283 1.00 1.98 H new ATOM 485 N LEU A 33 0.149 -8.685 5.713 1.00 1.35 N ATOM 486 CA LEU A 33 -0.360 -8.850 7.067 1.00 1.96 C ATOM 487 C LEU A 33 -0.667 -7.496 7.715 1.00 1.79 C ATOM 488 O LEU A 33 -1.617 -7.391 8.488 1.00 2.13 O ATOM 489 CB LEU A 33 0.583 -9.739 7.895 1.00 2.47 C ATOM 490 CG LEU A 33 1.930 -9.089 8.262 1.00 2.20 C ATOM 491 CD1 LEU A 33 1.906 -8.526 9.688 1.00 3.32 C ATOM 492 CD2 LEU A 33 3.066 -10.112 8.147 1.00 2.20 C ATOM 0 H LEU A 33 1.117 -8.985 5.598 1.00 1.35 H new ATOM 0 HA LEU A 33 -1.315 -9.375 7.028 1.00 1.96 H new ATOM 0 HB2 LEU A 33 0.073 -10.028 8.814 1.00 2.47 H new ATOM 0 HB3 LEU A 33 0.778 -10.655 7.337 1.00 2.47 H new ATOM 0 HG LEU A 33 2.099 -8.270 7.563 1.00 2.20 H new ATOM 0 HD11 LEU A 33 2.871 -8.074 9.917 1.00 3.32 H new ATOM 0 HD12 LEU A 33 1.124 -7.771 9.768 1.00 3.32 H new ATOM 0 HD13 LEU A 33 1.706 -9.332 10.394 1.00 3.32 H new ATOM 0 HD21 LEU A 33 4.011 -9.637 8.410 1.00 2.20 H new ATOM 0 HD22 LEU A 33 2.877 -10.944 8.826 1.00 2.20 H new ATOM 0 HD23 LEU A 33 3.119 -10.484 7.124 1.00 2.20 H new ATOM 504 N TYR A 34 0.115 -6.457 7.394 1.00 1.32 N ATOM 505 CA TYR A 34 -0.154 -5.096 7.840 1.00 1.26 C ATOM 506 C TYR A 34 0.281 -4.065 6.795 1.00 0.90 C ATOM 507 O TYR A 34 1.472 -3.788 6.635 1.00 0.79 O ATOM 508 CB TYR A 34 0.505 -4.832 9.201 1.00 1.49 C ATOM 509 CG TYR A 34 0.137 -3.489 9.809 1.00 1.60 C ATOM 510 CD1 TYR A 34 -1.217 -3.122 9.949 1.00 2.94 C ATOM 511 CD2 TYR A 34 1.143 -2.562 10.138 1.00 1.33 C ATOM 512 CE1 TYR A 34 -1.557 -1.791 10.240 1.00 3.10 C ATOM 513 CE2 TYR A 34 0.795 -1.251 10.503 1.00 1.48 C ATOM 514 CZ TYR A 34 -0.545 -0.835 10.428 1.00 1.98 C ATOM 515 OH TYR A 34 -0.836 0.496 10.467 1.00 2.31 O ATOM 0 H TYR A 34 0.952 -6.543 6.817 1.00 1.32 H new ATOM 0 HA TYR A 34 -1.232 -4.990 7.962 1.00 1.26 H new ATOM 0 HB2 TYR A 34 0.219 -5.624 9.893 1.00 1.49 H new ATOM 0 HB3 TYR A 34 1.588 -4.884 9.086 1.00 1.49 H new ATOM 0 HD1 TYR A 34 -1.993 -3.864 9.832 1.00 2.94 H new ATOM 0 HD2 TYR A 34 2.181 -2.858 10.110 1.00 1.33 H new ATOM 0 HE1 TYR A 34 -2.595 -1.503 10.319 1.00 3.10 H new ATOM 0 HE2 TYR A 34 1.556 -0.564 10.841 1.00 1.48 H new ATOM 0 HH TYR A 34 -1.580 0.686 9.858 1.00 2.31 H new ATOM 525 N CYS A 35 -0.686 -3.484 6.081 1.00 1.47 N ATOM 526 CA CYS A 35 -0.460 -2.244 5.350 1.00 1.25 C ATOM 527 C CYS A 35 -0.556 -1.110 6.362 1.00 1.24 C ATOM 528 O CYS A 35 -1.356 -1.212 7.286 1.00 1.69 O ATOM 529 CB CYS A 35 -1.509 -2.071 4.251 1.00 1.43 C ATOM 530 SG CYS A 35 -0.998 -0.720 3.179 1.00 2.61 S ATOM 0 H CYS A 35 -1.632 -3.856 5.996 1.00 1.47 H new ATOM 0 HA CYS A 35 0.517 -2.251 4.867 1.00 1.25 H new ATOM 0 HB2 CYS A 35 -1.611 -2.992 3.677 1.00 1.43 H new ATOM 0 HB3 CYS A 35 -2.484 -1.859 4.689 1.00 1.43 H new ATOM 0 HG CYS A 35 -1.877 -0.558 2.235 1.00 2.61 H new ATOM 536 N SER A 36 0.274 -0.075 6.240 1.00 0.81 N ATOM 537 CA SER A 36 0.292 1.050 7.163 1.00 0.72 C ATOM 538 C SER A 36 0.305 2.329 6.335 1.00 0.49 C ATOM 539 O SER A 36 1.337 2.674 5.752 1.00 0.51 O ATOM 540 CB SER A 36 1.528 0.943 8.054 1.00 1.18 C ATOM 541 OG SER A 36 1.385 1.708 9.235 1.00 1.30 O ATOM 0 H SER A 36 0.959 0.003 5.488 1.00 0.81 H new ATOM 0 HA SER A 36 -0.585 1.054 7.810 1.00 0.72 H new ATOM 0 HB2 SER A 36 1.700 -0.101 8.315 1.00 1.18 H new ATOM 0 HB3 SER A 36 2.405 1.283 7.503 1.00 1.18 H new ATOM 0 HG SER A 36 0.656 1.340 9.777 1.00 1.30 H new ATOM 547 N VAL A 37 -0.851 2.978 6.218 1.00 0.55 N ATOM 548 CA VAL A 37 -1.101 4.041 5.281 1.00 0.68 C ATOM 549 C VAL A 37 -1.179 5.385 6.014 1.00 0.65 C ATOM 550 O VAL A 37 -1.704 5.456 7.123 1.00 0.73 O ATOM 551 CB VAL A 37 -2.412 3.667 4.585 1.00 1.03 C ATOM 552 CG1 VAL A 37 -2.601 4.526 3.347 1.00 1.69 C ATOM 553 CG2 VAL A 37 -2.430 2.197 4.129 1.00 2.59 C ATOM 0 H VAL A 37 -1.661 2.761 6.799 1.00 0.55 H new ATOM 0 HA VAL A 37 -0.303 4.157 4.547 1.00 0.68 H new ATOM 0 HB VAL A 37 -3.209 3.827 5.311 1.00 1.03 H new ATOM 0 HG11 VAL A 37 -3.536 4.255 2.856 1.00 1.69 H new ATOM 0 HG12 VAL A 37 -2.633 5.577 3.635 1.00 1.69 H new ATOM 0 HG13 VAL A 37 -1.770 4.363 2.661 1.00 1.69 H new ATOM 0 HG21 VAL A 37 -3.380 1.979 3.641 1.00 2.59 H new ATOM 0 HG22 VAL A 37 -1.614 2.023 3.428 1.00 2.59 H new ATOM 0 HG23 VAL A 37 -2.309 1.546 4.995 1.00 2.59 H new ATOM 563 N ALA A 38 -0.664 6.465 5.414 1.00 0.69 N ATOM 564 CA ALA A 38 -0.746 7.799 6.002 1.00 0.74 C ATOM 565 C ALA A 38 -0.730 8.881 4.928 1.00 0.63 C ATOM 566 O ALA A 38 0.056 8.817 3.986 1.00 0.62 O ATOM 567 CB ALA A 38 0.391 8.013 6.996 1.00 0.92 C ATOM 0 H ALA A 38 -0.183 6.436 4.515 1.00 0.69 H new ATOM 0 HA ALA A 38 -1.694 7.873 6.534 1.00 0.74 H new ATOM 0 HB1 ALA A 38 0.316 9.012 7.425 1.00 0.92 H new ATOM 0 HB2 ALA A 38 0.324 7.270 7.791 1.00 0.92 H new ATOM 0 HB3 ALA A 38 1.347 7.910 6.483 1.00 0.92 H new ATOM 573 N LEU A 39 -1.595 9.887 5.099 1.00 0.64 N ATOM 574 CA LEU A 39 -1.849 10.935 4.114 1.00 0.65 C ATOM 575 C LEU A 39 -0.795 12.039 4.168 1.00 0.68 C ATOM 576 O LEU A 39 -0.383 12.554 3.129 1.00 0.72 O ATOM 577 CB LEU A 39 -3.285 11.469 4.250 1.00 0.85 C ATOM 578 CG LEU A 39 -3.585 12.258 5.539 1.00 0.79 C ATOM 579 CD1 LEU A 39 -3.394 13.769 5.341 1.00 1.35 C ATOM 580 CD2 LEU A 39 -5.041 12.017 5.949 1.00 1.23 C ATOM 0 H LEU A 39 -2.150 9.994 5.948 1.00 0.64 H new ATOM 0 HA LEU A 39 -1.762 10.496 3.120 1.00 0.65 H new ATOM 0 HB2 LEU A 39 -3.497 12.111 3.395 1.00 0.85 H new ATOM 0 HB3 LEU A 39 -3.973 10.626 4.193 1.00 0.85 H new ATOM 0 HG LEU A 39 -2.891 11.913 6.306 1.00 0.79 H new ATOM 0 HD11 LEU A 39 -3.615 14.289 6.273 1.00 1.35 H new ATOM 0 HD12 LEU A 39 -2.363 13.970 5.049 1.00 1.35 H new ATOM 0 HD13 LEU A 39 -4.068 14.122 4.560 1.00 1.35 H new ATOM 0 HD21 LEU A 39 -5.259 12.573 6.861 1.00 1.23 H new ATOM 0 HD22 LEU A 39 -5.704 12.353 5.152 1.00 1.23 H new ATOM 0 HD23 LEU A 39 -5.198 10.953 6.127 1.00 1.23 H new ATOM 592 N ALA A 40 -0.294 12.358 5.368 1.00 0.79 N ATOM 593 CA ALA A 40 0.678 13.429 5.554 1.00 0.95 C ATOM 594 C ALA A 40 1.933 13.127 4.741 1.00 0.91 C ATOM 595 O ALA A 40 2.491 14.003 4.087 1.00 1.08 O ATOM 596 CB ALA A 40 1.004 13.575 7.042 1.00 1.14 C ATOM 0 H ALA A 40 -0.553 11.880 6.231 1.00 0.79 H new ATOM 0 HA ALA A 40 0.262 14.373 5.202 1.00 0.95 H new ATOM 0 HB1 ALA A 40 1.731 14.376 7.178 1.00 1.14 H new ATOM 0 HB2 ALA A 40 0.094 13.813 7.592 1.00 1.14 H new ATOM 0 HB3 ALA A 40 1.420 12.640 7.417 1.00 1.14 H new ATOM 602 N THR A 41 2.338 11.855 4.762 1.00 0.80 N ATOM 603 CA THR A 41 3.432 11.351 3.949 1.00 0.79 C ATOM 604 C THR A 41 2.925 10.773 2.623 1.00 0.75 C ATOM 605 O THR A 41 3.750 10.372 1.806 1.00 0.84 O ATOM 606 CB THR A 41 4.233 10.333 4.773 1.00 0.85 C ATOM 607 OG1 THR A 41 5.338 9.844 4.035 1.00 2.13 O ATOM 608 CG2 THR A 41 3.388 9.160 5.274 1.00 2.11 C ATOM 0 H THR A 41 1.907 11.144 5.352 1.00 0.80 H new ATOM 0 HA THR A 41 4.096 12.171 3.676 1.00 0.79 H new ATOM 0 HB THR A 41 4.586 10.873 5.652 1.00 0.85 H new ATOM 0 HG1 THR A 41 5.184 9.993 3.079 1.00 2.13 H new ATOM 0 HG21 THR A 41 4.016 8.479 5.849 1.00 2.11 H new ATOM 0 HG22 THR A 41 2.584 9.535 5.908 1.00 2.11 H new ATOM 0 HG23 THR A 41 2.961 8.629 4.423 1.00 2.11 H new ATOM 616 N ASN A 42 1.598 10.704 2.432 1.00 0.74 N ATOM 617 CA ASN A 42 0.909 10.124 1.280 1.00 0.82 C ATOM 618 C ASN A 42 1.602 8.836 0.872 1.00 0.66 C ATOM 619 O ASN A 42 2.028 8.662 -0.265 1.00 0.70 O ATOM 620 CB ASN A 42 0.650 11.131 0.138 1.00 1.13 C ATOM 621 CG ASN A 42 1.641 12.288 0.058 1.00 1.69 C ATOM 622 OD1 ASN A 42 2.440 12.382 -0.868 1.00 2.54 O ATOM 623 ND2 ASN A 42 1.557 13.202 1.022 1.00 2.79 N ATOM 0 H ASN A 42 0.944 11.075 3.121 1.00 0.74 H new ATOM 0 HA ASN A 42 -0.106 9.856 1.574 1.00 0.82 H new ATOM 0 HB2 ASN A 42 0.666 10.593 -0.810 1.00 1.13 H new ATOM 0 HB3 ASN A 42 -0.353 11.540 0.256 1.00 1.13 H new ATOM 0 HD21 ASN A 42 2.171 14.017 1.007 1.00 2.79 H new ATOM 0 HD22 ASN A 42 0.879 13.088 1.775 1.00 2.79 H new ATOM 630 N LYS A 43 1.726 7.933 1.845 1.00 0.68 N ATOM 631 CA LYS A 43 2.510 6.721 1.726 1.00 0.66 C ATOM 632 C LYS A 43 1.707 5.545 2.249 1.00 0.62 C ATOM 633 O LYS A 43 0.884 5.710 3.151 1.00 0.69 O ATOM 634 CB LYS A 43 3.828 6.862 2.510 1.00 0.77 C ATOM 635 CG LYS A 43 4.989 6.185 1.778 1.00 1.26 C ATOM 636 CD LYS A 43 6.133 5.753 2.697 1.00 0.94 C ATOM 637 CE LYS A 43 6.680 6.811 3.659 1.00 1.40 C ATOM 638 NZ LYS A 43 7.802 6.240 4.432 1.00 2.00 N ATOM 0 H LYS A 43 1.272 8.033 2.753 1.00 0.68 H new ATOM 0 HA LYS A 43 2.751 6.549 0.677 1.00 0.66 H new ATOM 0 HB2 LYS A 43 4.055 7.918 2.656 1.00 0.77 H new ATOM 0 HB3 LYS A 43 3.713 6.420 3.500 1.00 0.77 H new ATOM 0 HG2 LYS A 43 4.611 5.310 1.248 1.00 1.26 H new ATOM 0 HG3 LYS A 43 5.380 6.869 1.025 1.00 1.26 H new ATOM 0 HD2 LYS A 43 5.793 4.901 3.286 1.00 0.94 H new ATOM 0 HD3 LYS A 43 6.956 5.402 2.074 1.00 0.94 H new ATOM 0 HE2 LYS A 43 7.016 7.686 3.102 1.00 1.40 H new ATOM 0 HE3 LYS A 43 5.893 7.146 4.334 1.00 1.40 H new ATOM 0 HZ1 LYS A 43 8.174 6.958 5.086 1.00 2.00 H new ATOM 0 HZ2 LYS A 43 7.467 5.418 4.974 1.00 2.00 H new ATOM 0 HZ3 LYS A 43 8.556 5.941 3.781 1.00 2.00 H new ATOM 652 N ALA A 44 2.002 4.364 1.708 1.00 0.63 N ATOM 653 CA ALA A 44 1.740 3.090 2.345 1.00 0.68 C ATOM 654 C ALA A 44 3.097 2.436 2.589 1.00 0.66 C ATOM 655 O ALA A 44 3.887 2.360 1.644 1.00 0.69 O ATOM 656 CB ALA A 44 0.862 2.232 1.430 1.00 0.87 C ATOM 0 H ALA A 44 2.441 4.273 0.792 1.00 0.63 H new ATOM 0 HA ALA A 44 1.206 3.207 3.288 1.00 0.68 H new ATOM 0 HB1 ALA A 44 0.665 1.273 1.909 1.00 0.87 H new ATOM 0 HB2 ALA A 44 -0.081 2.746 1.245 1.00 0.87 H new ATOM 0 HB3 ALA A 44 1.377 2.065 0.484 1.00 0.87 H new ATOM 662 N HIS A 45 3.363 1.979 3.822 1.00 0.68 N ATOM 663 CA HIS A 45 4.366 0.946 4.070 1.00 0.76 C ATOM 664 C HIS A 45 3.637 -0.391 4.129 1.00 0.75 C ATOM 665 O HIS A 45 2.495 -0.441 4.589 1.00 0.63 O ATOM 666 CB HIS A 45 5.259 1.229 5.292 1.00 0.88 C ATOM 667 CG HIS A 45 4.857 0.659 6.633 1.00 0.79 C ATOM 668 ND1 HIS A 45 4.892 1.357 7.818 1.00 1.01 N ATOM 669 CD2 HIS A 45 4.725 -0.671 6.953 1.00 0.82 C ATOM 670 CE1 HIS A 45 4.738 0.474 8.817 1.00 1.13 C ATOM 671 NE2 HIS A 45 4.654 -0.784 8.346 1.00 0.98 N ATOM 0 H HIS A 45 2.892 2.314 4.663 1.00 0.68 H new ATOM 0 HA HIS A 45 5.087 0.929 3.253 1.00 0.76 H new ATOM 0 HB2 HIS A 45 6.259 0.861 5.063 1.00 0.88 H new ATOM 0 HB3 HIS A 45 5.335 2.311 5.402 1.00 0.88 H new ATOM 0 HD1 HIS A 45 5.013 2.365 7.919 1.00 1.01 H new ATOM 0 HD2 HIS A 45 4.683 -1.489 6.249 1.00 0.82 H new ATOM 0 HE1 HIS A 45 4.688 0.739 9.863 1.00 1.13 H new ATOM 679 N ILE A 46 4.277 -1.459 3.654 1.00 0.91 N ATOM 680 CA ILE A 46 3.636 -2.742 3.443 1.00 0.68 C ATOM 681 C ILE A 46 4.441 -3.830 4.152 1.00 0.71 C ATOM 682 O ILE A 46 5.574 -4.119 3.778 1.00 1.05 O ATOM 683 CB ILE A 46 3.558 -2.993 1.932 1.00 1.06 C ATOM 684 CG1 ILE A 46 2.777 -1.902 1.181 1.00 1.42 C ATOM 685 CG2 ILE A 46 2.910 -4.323 1.575 1.00 1.12 C ATOM 686 CD1 ILE A 46 3.677 -0.789 0.656 1.00 2.08 C ATOM 0 H ILE A 46 5.266 -1.450 3.404 1.00 0.91 H new ATOM 0 HA ILE A 46 2.627 -2.752 3.856 1.00 0.68 H new ATOM 0 HB ILE A 46 4.603 -2.992 1.622 1.00 1.06 H new ATOM 0 HG12 ILE A 46 2.241 -2.354 0.347 1.00 1.42 H new ATOM 0 HG13 ILE A 46 2.028 -1.474 1.847 1.00 1.42 H new ATOM 0 HG21 ILE A 46 2.887 -4.437 0.491 1.00 1.12 H new ATOM 0 HG22 ILE A 46 3.486 -5.138 2.013 1.00 1.12 H new ATOM 0 HG23 ILE A 46 1.892 -4.348 1.964 1.00 1.12 H new ATOM 0 HD11 ILE A 46 3.072 -0.047 0.135 1.00 2.08 H new ATOM 0 HD12 ILE A 46 4.193 -0.315 1.490 1.00 2.08 H new ATOM 0 HD13 ILE A 46 4.410 -1.208 -0.033 1.00 2.08 H new ATOM 698 N LYS A 47 3.832 -4.456 5.156 1.00 0.61 N ATOM 699 CA LYS A 47 4.309 -5.698 5.754 1.00 0.90 C ATOM 700 C LYS A 47 3.748 -6.864 4.943 1.00 0.64 C ATOM 701 O LYS A 47 2.729 -7.443 5.318 1.00 0.88 O ATOM 702 CB LYS A 47 3.889 -5.800 7.226 1.00 1.29 C ATOM 703 CG LYS A 47 4.464 -4.688 8.111 1.00 1.53 C ATOM 704 CD LYS A 47 5.979 -4.851 8.285 1.00 0.96 C ATOM 705 CE LYS A 47 6.536 -3.986 9.424 1.00 1.30 C ATOM 706 NZ LYS A 47 6.564 -2.547 9.090 1.00 2.53 N ATOM 0 H LYS A 47 2.975 -4.106 5.585 1.00 0.61 H new ATOM 0 HA LYS A 47 5.399 -5.722 5.733 1.00 0.90 H new ATOM 0 HB2 LYS A 47 2.801 -5.774 7.287 1.00 1.29 H new ATOM 0 HB3 LYS A 47 4.207 -6.766 7.619 1.00 1.29 H new ATOM 0 HG2 LYS A 47 4.248 -3.716 7.666 1.00 1.53 H new ATOM 0 HG3 LYS A 47 3.978 -4.707 9.087 1.00 1.53 H new ATOM 0 HD2 LYS A 47 6.208 -5.898 8.483 1.00 0.96 H new ATOM 0 HD3 LYS A 47 6.479 -4.586 7.354 1.00 0.96 H new ATOM 0 HE2 LYS A 47 5.929 -4.135 10.317 1.00 1.30 H new ATOM 0 HE3 LYS A 47 7.546 -4.318 9.666 1.00 1.30 H new ATOM 0 HZ1 LYS A 47 6.752 -1.994 9.951 1.00 2.53 H new ATOM 0 HZ2 LYS A 47 7.314 -2.367 8.392 1.00 2.53 H new ATOM 0 HZ3 LYS A 47 5.646 -2.265 8.692 1.00 2.53 H new ATOM 720 N TYR A 48 4.390 -7.173 3.815 1.00 0.53 N ATOM 721 CA TYR A 48 4.046 -8.297 2.954 1.00 0.46 C ATOM 722 C TYR A 48 5.268 -9.166 2.713 1.00 0.49 C ATOM 723 O TYR A 48 6.393 -8.745 2.974 1.00 0.70 O ATOM 724 CB TYR A 48 3.467 -7.844 1.601 1.00 0.54 C ATOM 725 CG TYR A 48 4.482 -7.384 0.558 1.00 0.60 C ATOM 726 CD1 TYR A 48 5.469 -6.426 0.865 1.00 1.94 C ATOM 727 CD2 TYR A 48 4.506 -8.007 -0.704 1.00 1.91 C ATOM 728 CE1 TYR A 48 6.487 -6.141 -0.058 1.00 2.10 C ATOM 729 CE2 TYR A 48 5.521 -7.710 -1.627 1.00 1.99 C ATOM 730 CZ TYR A 48 6.526 -6.791 -1.295 1.00 1.18 C ATOM 731 OH TYR A 48 7.535 -6.523 -2.172 1.00 1.59 O ATOM 0 H TYR A 48 5.183 -6.632 3.470 1.00 0.53 H new ATOM 0 HA TYR A 48 3.276 -8.869 3.471 1.00 0.46 H new ATOM 0 HB2 TYR A 48 2.892 -8.669 1.180 1.00 0.54 H new ATOM 0 HB3 TYR A 48 2.768 -7.028 1.783 1.00 0.54 H new ATOM 0 HD1 TYR A 48 5.442 -5.910 1.813 1.00 1.94 H new ATOM 0 HD2 TYR A 48 3.737 -8.719 -0.964 1.00 1.91 H new ATOM 0 HE1 TYR A 48 7.246 -5.414 0.189 1.00 2.10 H new ATOM 0 HE2 TYR A 48 5.528 -8.190 -2.594 1.00 1.99 H new ATOM 0 HH TYR A 48 7.414 -7.059 -2.983 1.00 1.59 H new ATOM 741 N ASP A 49 5.020 -10.349 2.152 1.00 0.61 N ATOM 742 CA ASP A 49 6.052 -11.242 1.672 1.00 0.68 C ATOM 743 C ASP A 49 6.027 -11.259 0.135 1.00 0.62 C ATOM 744 O ASP A 49 4.964 -11.475 -0.456 1.00 0.71 O ATOM 745 CB ASP A 49 5.819 -12.631 2.256 1.00 0.88 C ATOM 746 CG ASP A 49 7.015 -13.497 1.932 1.00 2.18 C ATOM 747 OD1 ASP A 49 7.182 -13.803 0.733 1.00 3.43 O ATOM 748 OD2 ASP A 49 7.786 -13.750 2.880 1.00 2.98 O ATOM 0 H ASP A 49 4.076 -10.712 2.020 1.00 0.61 H new ATOM 0 HA ASP A 49 7.037 -10.902 1.990 1.00 0.68 H new ATOM 0 HB2 ASP A 49 5.678 -12.569 3.335 1.00 0.88 H new ATOM 0 HB3 ASP A 49 4.911 -13.069 1.841 1.00 0.88 H new ATOM 753 N PRO A 50 7.157 -10.996 -0.537 1.00 0.68 N ATOM 754 CA PRO A 50 7.222 -10.933 -1.986 1.00 0.81 C ATOM 755 C PRO A 50 7.138 -12.311 -2.641 1.00 0.89 C ATOM 756 O PRO A 50 6.812 -12.388 -3.824 1.00 1.20 O ATOM 757 CB PRO A 50 8.554 -10.246 -2.300 1.00 0.98 C ATOM 758 CG PRO A 50 9.436 -10.640 -1.117 1.00 0.98 C ATOM 759 CD PRO A 50 8.446 -10.668 0.043 1.00 0.83 C ATOM 0 HA PRO A 50 6.371 -10.384 -2.389 1.00 0.81 H new ATOM 0 HB2 PRO A 50 8.972 -10.590 -3.246 1.00 0.98 H new ATOM 0 HB3 PRO A 50 8.441 -9.164 -2.376 1.00 0.98 H new ATOM 0 HG2 PRO A 50 9.909 -11.610 -1.270 1.00 0.98 H new ATOM 0 HG3 PRO A 50 10.236 -9.918 -0.950 1.00 0.98 H new ATOM 0 HD2 PRO A 50 8.738 -11.409 0.787 1.00 0.83 H new ATOM 0 HD3 PRO A 50 8.412 -9.703 0.550 1.00 0.83 H new ATOM 767 N GLU A 51 7.438 -13.389 -1.910 1.00 0.94 N ATOM 768 CA GLU A 51 7.595 -14.729 -2.461 1.00 1.13 C ATOM 769 C GLU A 51 6.304 -15.548 -2.321 1.00 1.45 C ATOM 770 O GLU A 51 6.315 -16.756 -2.551 1.00 2.41 O ATOM 771 CB GLU A 51 8.826 -15.374 -1.804 1.00 1.23 C ATOM 772 CG GLU A 51 10.104 -14.698 -2.335 1.00 1.98 C ATOM 773 CD GLU A 51 11.259 -14.729 -1.349 1.00 2.59 C ATOM 774 OE1 GLU A 51 11.702 -15.826 -0.940 1.00 2.65 O ATOM 775 OE2 GLU A 51 11.795 -13.644 -1.023 1.00 3.92 O ATOM 0 H GLU A 51 7.580 -13.349 -0.901 1.00 0.94 H new ATOM 0 HA GLU A 51 7.772 -14.689 -3.536 1.00 1.13 H new ATOM 0 HB2 GLU A 51 8.770 -15.270 -0.720 1.00 1.23 H new ATOM 0 HB3 GLU A 51 8.850 -16.442 -2.021 1.00 1.23 H new ATOM 0 HG2 GLU A 51 10.410 -15.192 -3.257 1.00 1.98 H new ATOM 0 HG3 GLU A 51 9.880 -13.662 -2.587 1.00 1.98 H new ATOM 782 N ILE A 52 5.179 -14.886 -2.021 1.00 0.87 N ATOM 783 CA ILE A 52 3.836 -15.427 -2.196 1.00 0.88 C ATOM 784 C ILE A 52 2.995 -14.446 -3.023 1.00 0.85 C ATOM 785 O ILE A 52 2.917 -14.571 -4.241 1.00 1.23 O ATOM 786 CB ILE A 52 3.191 -15.815 -0.846 1.00 0.86 C ATOM 787 CG1 ILE A 52 3.514 -14.845 0.309 1.00 0.78 C ATOM 788 CG2 ILE A 52 3.634 -17.229 -0.444 1.00 1.12 C ATOM 789 CD1 ILE A 52 2.350 -14.747 1.303 1.00 0.95 C ATOM 0 H ILE A 52 5.183 -13.939 -1.642 1.00 0.87 H new ATOM 0 HA ILE A 52 3.891 -16.361 -2.755 1.00 0.88 H new ATOM 0 HB ILE A 52 2.114 -15.767 -1.007 1.00 0.86 H new ATOM 0 HG12 ILE A 52 4.410 -15.183 0.829 1.00 0.78 H new ATOM 0 HG13 ILE A 52 3.733 -13.857 -0.095 1.00 0.78 H new ATOM 0 HG21 ILE A 52 3.176 -17.497 0.508 1.00 1.12 H new ATOM 0 HG22 ILE A 52 3.322 -17.940 -1.209 1.00 1.12 H new ATOM 0 HG23 ILE A 52 4.719 -17.256 -0.345 1.00 1.12 H new ATOM 0 HD11 ILE A 52 2.612 -14.055 2.103 1.00 0.95 H new ATOM 0 HD12 ILE A 52 1.461 -14.385 0.787 1.00 0.95 H new ATOM 0 HD13 ILE A 52 2.149 -15.731 1.726 1.00 0.95 H new ATOM 801 N ILE A 53 2.350 -13.481 -2.365 1.00 0.87 N ATOM 802 CA ILE A 53 1.455 -12.511 -2.985 1.00 0.80 C ATOM 803 C ILE A 53 2.167 -11.675 -4.058 1.00 0.76 C ATOM 804 O ILE A 53 1.669 -11.527 -5.172 1.00 0.89 O ATOM 805 CB ILE A 53 0.775 -11.659 -1.891 1.00 0.79 C ATOM 806 CG1 ILE A 53 -0.071 -10.556 -2.539 1.00 0.86 C ATOM 807 CG2 ILE A 53 1.758 -11.033 -0.888 1.00 0.81 C ATOM 808 CD1 ILE A 53 -1.081 -9.972 -1.554 1.00 1.09 C ATOM 0 H ILE A 53 2.441 -13.352 -1.357 1.00 0.87 H new ATOM 0 HA ILE A 53 0.669 -13.043 -3.521 1.00 0.80 H new ATOM 0 HB ILE A 53 0.146 -12.343 -1.321 1.00 0.79 H new ATOM 0 HG12 ILE A 53 0.582 -9.763 -2.905 1.00 0.86 H new ATOM 0 HG13 ILE A 53 -0.597 -10.960 -3.404 1.00 0.86 H new ATOM 0 HG21 ILE A 53 1.205 -10.450 -0.152 1.00 0.81 H new ATOM 0 HG22 ILE A 53 2.314 -11.823 -0.382 1.00 0.81 H new ATOM 0 HG23 ILE A 53 2.453 -10.382 -1.418 1.00 0.81 H new ATOM 0 HD11 ILE A 53 -1.663 -9.194 -2.048 1.00 1.09 H new ATOM 0 HD12 ILE A 53 -1.750 -10.760 -1.208 1.00 1.09 H new ATOM 0 HD13 ILE A 53 -0.553 -9.545 -0.702 1.00 1.09 H new ATOM 820 N GLY A 54 3.331 -11.122 -3.717 1.00 0.82 N ATOM 821 CA GLY A 54 4.105 -10.277 -4.614 1.00 0.82 C ATOM 822 C GLY A 54 3.631 -8.821 -4.571 1.00 0.76 C ATOM 823 O GLY A 54 2.514 -8.532 -4.141 1.00 0.82 O ATOM 0 H GLY A 54 3.763 -11.252 -2.802 1.00 0.82 H new ATOM 0 HA2 GLY A 54 5.159 -10.325 -4.340 1.00 0.82 H new ATOM 0 HA3 GLY A 54 4.023 -10.656 -5.633 1.00 0.82 H new ATOM 827 N PRO A 55 4.480 -7.872 -4.997 1.00 0.72 N ATOM 828 CA PRO A 55 4.181 -6.450 -4.926 1.00 0.76 C ATOM 829 C PRO A 55 3.153 -6.039 -5.981 1.00 0.71 C ATOM 830 O PRO A 55 2.399 -5.094 -5.769 1.00 0.67 O ATOM 831 CB PRO A 55 5.523 -5.748 -5.155 1.00 0.86 C ATOM 832 CG PRO A 55 6.299 -6.736 -6.027 1.00 0.77 C ATOM 833 CD PRO A 55 5.816 -8.099 -5.526 1.00 0.71 C ATOM 0 HA PRO A 55 3.739 -6.180 -3.967 1.00 0.76 H new ATOM 0 HB2 PRO A 55 5.394 -4.788 -5.654 1.00 0.86 H new ATOM 0 HB3 PRO A 55 6.039 -5.551 -4.215 1.00 0.86 H new ATOM 0 HG2 PRO A 55 6.081 -6.596 -7.086 1.00 0.77 H new ATOM 0 HG3 PRO A 55 7.376 -6.621 -5.905 1.00 0.77 H new ATOM 0 HD2 PRO A 55 5.798 -8.830 -6.335 1.00 0.71 H new ATOM 0 HD3 PRO A 55 6.481 -8.491 -4.756 1.00 0.71 H new ATOM 841 N ARG A 56 3.143 -6.722 -7.131 1.00 0.73 N ATOM 842 CA ARG A 56 2.306 -6.371 -8.272 1.00 0.72 C ATOM 843 C ARG A 56 0.833 -6.287 -7.862 1.00 0.61 C ATOM 844 O ARG A 56 0.176 -5.280 -8.119 1.00 0.62 O ATOM 845 CB ARG A 56 2.528 -7.402 -9.391 1.00 0.82 C ATOM 846 CG ARG A 56 1.896 -7.002 -10.734 1.00 1.83 C ATOM 847 CD ARG A 56 2.607 -5.824 -11.419 1.00 2.57 C ATOM 848 NE ARG A 56 4.044 -6.071 -11.633 1.00 3.05 N ATOM 849 CZ ARG A 56 4.566 -6.819 -12.620 1.00 3.80 C ATOM 850 NH1 ARG A 56 3.757 -7.431 -13.491 1.00 4.17 N ATOM 851 NH2 ARG A 56 5.893 -6.952 -12.728 1.00 5.01 N ATOM 0 H ARG A 56 3.725 -7.544 -7.292 1.00 0.73 H new ATOM 0 HA ARG A 56 2.586 -5.385 -8.643 1.00 0.72 H new ATOM 0 HB2 ARG A 56 3.599 -7.547 -9.532 1.00 0.82 H new ATOM 0 HB3 ARG A 56 2.116 -8.361 -9.077 1.00 0.82 H new ATOM 0 HG2 ARG A 56 1.908 -7.862 -11.403 1.00 1.83 H new ATOM 0 HG3 ARG A 56 0.851 -6.740 -10.571 1.00 1.83 H new ATOM 0 HD2 ARG A 56 2.130 -5.626 -12.379 1.00 2.57 H new ATOM 0 HD3 ARG A 56 2.484 -4.928 -10.811 1.00 2.57 H new ATOM 0 HE ARG A 56 4.696 -5.639 -10.978 1.00 3.05 H new ATOM 0 HH11 ARG A 56 2.746 -7.330 -13.406 1.00 4.17 H new ATOM 0 HH12 ARG A 56 4.151 -7.999 -14.241 1.00 4.17 H new ATOM 0 HH21 ARG A 56 6.508 -6.486 -12.061 1.00 5.01 H new ATOM 0 HH22 ARG A 56 6.289 -7.520 -13.477 1.00 5.01 H new ATOM 865 N ASP A 57 0.334 -7.351 -7.221 1.00 0.58 N ATOM 866 CA ASP A 57 -1.044 -7.464 -6.755 1.00 0.54 C ATOM 867 C ASP A 57 -1.426 -6.209 -5.971 1.00 0.46 C ATOM 868 O ASP A 57 -2.373 -5.493 -6.294 1.00 0.43 O ATOM 869 CB ASP A 57 -1.173 -8.712 -5.866 1.00 0.60 C ATOM 870 CG ASP A 57 -2.606 -8.904 -5.377 1.00 1.61 C ATOM 871 OD1 ASP A 57 -3.524 -8.523 -6.130 1.00 2.60 O ATOM 872 OD2 ASP A 57 -2.771 -9.421 -4.251 1.00 2.50 O ATOM 0 H ASP A 57 0.896 -8.176 -7.009 1.00 0.58 H new ATOM 0 HA ASP A 57 -1.718 -7.560 -7.606 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -0.857 -9.593 -6.425 1.00 0.60 H new ATOM 0 HB3 ASP A 57 -0.504 -8.621 -5.010 1.00 0.60 H new ATOM 877 N ILE A 58 -0.615 -5.919 -4.958 1.00 0.48 N ATOM 878 CA ILE A 58 -0.751 -4.764 -4.091 1.00 0.45 C ATOM 879 C ILE A 58 -0.750 -3.482 -4.912 1.00 0.46 C ATOM 880 O ILE A 58 -1.739 -2.760 -4.890 1.00 0.45 O ATOM 881 CB ILE A 58 0.318 -4.857 -2.991 1.00 0.57 C ATOM 882 CG1 ILE A 58 -0.098 -6.011 -2.057 1.00 0.66 C ATOM 883 CG2 ILE A 58 0.500 -3.545 -2.216 1.00 0.60 C ATOM 884 CD1 ILE A 58 1.035 -6.499 -1.161 1.00 0.92 C ATOM 0 H ILE A 58 0.182 -6.506 -4.714 1.00 0.48 H new ATOM 0 HA ILE A 58 -1.713 -4.746 -3.578 1.00 0.45 H new ATOM 0 HB ILE A 58 1.290 -5.049 -3.445 1.00 0.57 H new ATOM 0 HG12 ILE A 58 -0.930 -5.683 -1.433 1.00 0.66 H new ATOM 0 HG13 ILE A 58 -0.460 -6.844 -2.659 1.00 0.66 H new ATOM 0 HG21 ILE A 58 1.268 -3.676 -1.454 1.00 0.60 H new ATOM 0 HG22 ILE A 58 0.802 -2.755 -2.904 1.00 0.60 H new ATOM 0 HG23 ILE A 58 -0.441 -3.271 -1.739 1.00 0.60 H new ATOM 0 HD11 ILE A 58 0.675 -7.311 -0.529 1.00 0.92 H new ATOM 0 HD12 ILE A 58 1.859 -6.857 -1.779 1.00 0.92 H new ATOM 0 HD13 ILE A 58 1.382 -5.678 -0.534 1.00 0.92 H new ATOM 896 N ILE A 59 0.306 -3.195 -5.666 1.00 0.53 N ATOM 897 CA ILE A 59 0.395 -1.970 -6.455 1.00 0.60 C ATOM 898 C ILE A 59 -0.841 -1.790 -7.355 1.00 0.57 C ATOM 899 O ILE A 59 -1.397 -0.695 -7.456 1.00 0.65 O ATOM 900 CB ILE A 59 1.745 -1.972 -7.204 1.00 0.73 C ATOM 901 CG1 ILE A 59 2.890 -1.733 -6.202 1.00 1.04 C ATOM 902 CG2 ILE A 59 1.809 -0.951 -8.346 1.00 0.89 C ATOM 903 CD1 ILE A 59 4.271 -2.045 -6.786 1.00 1.49 C ATOM 0 H ILE A 59 1.122 -3.802 -5.748 1.00 0.53 H new ATOM 0 HA ILE A 59 0.382 -1.090 -5.811 1.00 0.60 H new ATOM 0 HB ILE A 59 1.851 -2.952 -7.670 1.00 0.73 H new ATOM 0 HG12 ILE A 59 2.867 -0.694 -5.873 1.00 1.04 H new ATOM 0 HG13 ILE A 59 2.727 -2.350 -5.319 1.00 1.04 H new ATOM 0 HG21 ILE A 59 2.785 -1.006 -8.829 1.00 0.89 H new ATOM 0 HG22 ILE A 59 1.030 -1.172 -9.076 1.00 0.89 H new ATOM 0 HG23 ILE A 59 1.658 0.052 -7.946 1.00 0.89 H new ATOM 0 HD11 ILE A 59 5.036 -1.857 -6.032 1.00 1.49 H new ATOM 0 HD12 ILE A 59 4.310 -3.091 -7.089 1.00 1.49 H new ATOM 0 HD13 ILE A 59 4.452 -1.409 -7.653 1.00 1.49 H new ATOM 915 N HIS A 60 -1.303 -2.872 -7.976 1.00 0.55 N ATOM 916 CA HIS A 60 -2.478 -2.837 -8.840 1.00 0.58 C ATOM 917 C HIS A 60 -3.725 -2.544 -8.010 1.00 0.55 C ATOM 918 O HIS A 60 -4.545 -1.705 -8.377 1.00 0.70 O ATOM 919 CB HIS A 60 -2.628 -4.160 -9.601 1.00 0.68 C ATOM 920 CG HIS A 60 -1.739 -4.278 -10.814 1.00 1.10 C ATOM 921 ND1 HIS A 60 -2.147 -4.704 -12.058 1.00 2.21 N ATOM 922 CD2 HIS A 60 -0.416 -3.935 -10.909 1.00 1.84 C ATOM 923 CE1 HIS A 60 -1.089 -4.623 -12.881 1.00 2.40 C ATOM 924 NE2 HIS A 60 -0.009 -4.165 -12.227 1.00 2.11 N ATOM 0 H HIS A 60 -0.875 -3.794 -7.895 1.00 0.55 H new ATOM 0 HA HIS A 60 -2.353 -2.041 -9.574 1.00 0.58 H new ATOM 0 HB2 HIS A 60 -2.409 -4.984 -8.922 1.00 0.68 H new ATOM 0 HB3 HIS A 60 -3.666 -4.271 -9.913 1.00 0.68 H new ATOM 0 HD1 HIS A 60 -3.083 -5.023 -12.309 1.00 2.21 H new ATOM 0 HD2 HIS A 60 0.202 -3.555 -10.109 1.00 1.84 H new ATOM 0 HE1 HIS A 60 -1.104 -4.890 -13.927 1.00 2.40 H new ATOM 932 N THR A 61 -3.864 -3.223 -6.873 1.00 0.47 N ATOM 933 CA THR A 61 -5.002 -3.015 -5.995 1.00 0.46 C ATOM 934 C THR A 61 -5.040 -1.549 -5.589 1.00 0.45 C ATOM 935 O THR A 61 -6.067 -0.896 -5.716 1.00 0.52 O ATOM 936 CB THR A 61 -4.917 -3.940 -4.777 1.00 0.49 C ATOM 937 OG1 THR A 61 -4.911 -5.275 -5.228 1.00 0.58 O ATOM 938 CG2 THR A 61 -6.115 -3.751 -3.840 1.00 0.56 C ATOM 0 H THR A 61 -3.199 -3.922 -6.542 1.00 0.47 H new ATOM 0 HA THR A 61 -5.928 -3.261 -6.515 1.00 0.46 H new ATOM 0 HB THR A 61 -4.007 -3.700 -4.227 1.00 0.49 H new ATOM 0 HG1 THR A 61 -4.044 -5.478 -5.637 1.00 0.58 H new ATOM 0 HG21 THR A 61 -6.020 -4.424 -2.988 1.00 0.56 H new ATOM 0 HG22 THR A 61 -6.142 -2.720 -3.487 1.00 0.56 H new ATOM 0 HG23 THR A 61 -7.036 -3.975 -4.378 1.00 0.56 H new ATOM 946 N ILE A 62 -3.908 -1.030 -5.121 1.00 0.45 N ATOM 947 CA ILE A 62 -3.754 0.340 -4.679 1.00 0.58 C ATOM 948 C ILE A 62 -4.217 1.294 -5.774 1.00 0.53 C ATOM 949 O ILE A 62 -5.049 2.155 -5.502 1.00 0.58 O ATOM 950 CB ILE A 62 -2.293 0.582 -4.275 1.00 0.75 C ATOM 951 CG1 ILE A 62 -1.883 -0.320 -3.098 1.00 0.92 C ATOM 952 CG2 ILE A 62 -2.061 2.065 -3.957 1.00 1.03 C ATOM 953 CD1 ILE A 62 -2.316 0.236 -1.756 1.00 1.55 C ATOM 0 H ILE A 62 -3.049 -1.574 -5.039 1.00 0.45 H new ATOM 0 HA ILE A 62 -4.377 0.527 -3.804 1.00 0.58 H new ATOM 0 HB ILE A 62 -1.657 0.317 -5.120 1.00 0.75 H new ATOM 0 HG12 ILE A 62 -2.320 -1.309 -3.235 1.00 0.92 H new ATOM 0 HG13 ILE A 62 -0.800 -0.446 -3.102 1.00 0.92 H new ATOM 0 HG21 ILE A 62 -1.020 2.218 -3.673 1.00 1.03 H new ATOM 0 HG22 ILE A 62 -2.288 2.666 -4.838 1.00 1.03 H new ATOM 0 HG23 ILE A 62 -2.710 2.367 -3.135 1.00 1.03 H new ATOM 0 HD11 ILE A 62 -2.000 -0.441 -0.963 1.00 1.55 H new ATOM 0 HD12 ILE A 62 -1.858 1.213 -1.602 1.00 1.55 H new ATOM 0 HD13 ILE A 62 -3.401 0.336 -1.737 1.00 1.55 H new ATOM 965 N GLU A 63 -3.703 1.136 -7.000 1.00 0.53 N ATOM 966 CA GLU A 63 -4.169 1.894 -8.141 1.00 0.61 C ATOM 967 C GLU A 63 -5.702 1.870 -8.190 1.00 0.68 C ATOM 968 O GLU A 63 -6.366 2.889 -7.976 1.00 0.90 O ATOM 969 CB GLU A 63 -3.494 1.305 -9.387 1.00 0.65 C ATOM 970 CG GLU A 63 -3.737 2.105 -10.666 1.00 0.87 C ATOM 971 CD GLU A 63 -5.120 1.893 -11.279 1.00 2.30 C ATOM 972 OE1 GLU A 63 -5.597 0.736 -11.240 1.00 2.94 O ATOM 973 OE2 GLU A 63 -5.679 2.891 -11.776 1.00 3.78 O ATOM 0 H GLU A 63 -2.955 0.478 -7.216 1.00 0.53 H new ATOM 0 HA GLU A 63 -3.898 2.948 -8.078 1.00 0.61 H new ATOM 0 HB2 GLU A 63 -2.420 1.242 -9.210 1.00 0.65 H new ATOM 0 HB3 GLU A 63 -3.853 0.287 -9.535 1.00 0.65 H new ATOM 0 HG2 GLU A 63 -3.606 3.165 -10.450 1.00 0.87 H new ATOM 0 HG3 GLU A 63 -2.980 1.834 -11.401 1.00 0.87 H new ATOM 980 N SER A 64 -6.260 0.677 -8.397 1.00 0.60 N ATOM 981 CA SER A 64 -7.665 0.518 -8.741 1.00 0.68 C ATOM 982 C SER A 64 -8.593 0.912 -7.588 1.00 0.52 C ATOM 983 O SER A 64 -9.734 1.316 -7.805 1.00 0.56 O ATOM 984 CB SER A 64 -7.909 -0.919 -9.201 1.00 0.87 C ATOM 985 OG SER A 64 -6.986 -1.287 -10.210 1.00 2.70 O ATOM 0 H SER A 64 -5.748 -0.203 -8.330 1.00 0.60 H new ATOM 0 HA SER A 64 -7.902 1.199 -9.558 1.00 0.68 H new ATOM 0 HB2 SER A 64 -7.818 -1.598 -8.353 1.00 0.87 H new ATOM 0 HB3 SER A 64 -8.927 -1.017 -9.579 1.00 0.87 H new ATOM 0 HG SER A 64 -6.735 -0.494 -10.728 1.00 2.70 H new ATOM 991 N LEU A 65 -8.103 0.810 -6.351 1.00 0.48 N ATOM 992 CA LEU A 65 -8.795 1.219 -5.139 1.00 0.62 C ATOM 993 C LEU A 65 -8.981 2.742 -5.079 1.00 0.76 C ATOM 994 O LEU A 65 -9.773 3.225 -4.261 1.00 1.03 O ATOM 995 CB LEU A 65 -8.024 0.656 -3.937 1.00 0.85 C ATOM 996 CG LEU A 65 -8.800 0.655 -2.617 1.00 1.11 C ATOM 997 CD1 LEU A 65 -9.872 -0.442 -2.604 1.00 2.16 C ATOM 998 CD2 LEU A 65 -7.820 0.412 -1.469 1.00 2.32 C ATOM 0 H LEU A 65 -7.177 0.425 -6.165 1.00 0.48 H new ATOM 0 HA LEU A 65 -9.807 0.813 -5.126 1.00 0.62 H new ATOM 0 HB2 LEU A 65 -7.721 -0.366 -4.164 1.00 0.85 H new ATOM 0 HB3 LEU A 65 -7.111 1.237 -3.805 1.00 0.85 H new ATOM 0 HG LEU A 65 -9.296 1.619 -2.504 1.00 1.11 H new ATOM 0 HD11 LEU A 65 -10.406 -0.418 -1.654 1.00 2.16 H new ATOM 0 HD12 LEU A 65 -10.575 -0.274 -3.420 1.00 2.16 H new ATOM 0 HD13 LEU A 65 -9.398 -1.416 -2.729 1.00 2.16 H new ATOM 0 HD21 LEU A 65 -8.361 0.409 -0.523 1.00 2.32 H new ATOM 0 HD22 LEU A 65 -7.328 -0.551 -1.608 1.00 2.32 H new ATOM 0 HD23 LEU A 65 -7.071 1.204 -1.456 1.00 2.32 H new ATOM 1010 N GLY A 66 -8.294 3.487 -5.954 1.00 0.74 N ATOM 1011 CA GLY A 66 -8.517 4.902 -6.198 1.00 0.93 C ATOM 1012 C GLY A 66 -7.328 5.725 -5.719 1.00 0.76 C ATOM 1013 O GLY A 66 -7.517 6.732 -5.040 1.00 1.03 O ATOM 0 H GLY A 66 -7.544 3.100 -6.527 1.00 0.74 H new ATOM 0 HA2 GLY A 66 -8.678 5.072 -7.263 1.00 0.93 H new ATOM 0 HA3 GLY A 66 -9.421 5.227 -5.683 1.00 0.93 H new ATOM 1017 N PHE A 67 -6.113 5.297 -6.077 1.00 0.48 N ATOM 1018 CA PHE A 67 -4.876 5.951 -5.668 1.00 0.50 C ATOM 1019 C PHE A 67 -3.876 5.880 -6.820 1.00 0.51 C ATOM 1020 O PHE A 67 -4.179 5.290 -7.852 1.00 0.81 O ATOM 1021 CB PHE A 67 -4.327 5.278 -4.400 1.00 0.68 C ATOM 1022 CG PHE A 67 -5.294 5.289 -3.233 1.00 0.76 C ATOM 1023 CD1 PHE A 67 -5.516 6.485 -2.529 1.00 1.63 C ATOM 1024 CD2 PHE A 67 -6.122 4.178 -2.993 1.00 1.91 C ATOM 1025 CE1 PHE A 67 -6.613 6.598 -1.657 1.00 1.65 C ATOM 1026 CE2 PHE A 67 -7.200 4.280 -2.098 1.00 1.88 C ATOM 1027 CZ PHE A 67 -7.453 5.494 -1.441 1.00 0.73 C ATOM 0 H PHE A 67 -5.964 4.477 -6.665 1.00 0.48 H new ATOM 0 HA PHE A 67 -5.060 6.999 -5.432 1.00 0.50 H new ATOM 0 HB2 PHE A 67 -4.065 4.246 -4.632 1.00 0.68 H new ATOM 0 HB3 PHE A 67 -3.407 5.781 -4.102 1.00 0.68 H new ATOM 0 HD1 PHE A 67 -4.842 7.319 -2.658 1.00 1.63 H new ATOM 0 HD2 PHE A 67 -5.929 3.243 -3.498 1.00 1.91 H new ATOM 0 HE1 PHE A 67 -6.809 7.533 -1.154 1.00 1.65 H new ATOM 0 HE2 PHE A 67 -7.834 3.425 -1.916 1.00 1.88 H new ATOM 0 HZ PHE A 67 -8.294 5.579 -0.769 1.00 0.73 H new ATOM 1037 N GLU A 68 -2.688 6.465 -6.649 1.00 0.53 N ATOM 1038 CA GLU A 68 -1.596 6.360 -7.612 1.00 0.59 C ATOM 1039 C GLU A 68 -0.310 6.000 -6.859 1.00 0.54 C ATOM 1040 O GLU A 68 0.231 6.867 -6.174 1.00 0.77 O ATOM 1041 CB GLU A 68 -1.520 7.661 -8.432 1.00 0.80 C ATOM 1042 CG GLU A 68 -0.432 7.668 -9.521 1.00 2.12 C ATOM 1043 CD GLU A 68 0.951 8.029 -8.995 1.00 3.20 C ATOM 1044 OE1 GLU A 68 1.208 9.242 -8.838 1.00 3.50 O ATOM 1045 OE2 GLU A 68 1.740 7.094 -8.743 1.00 4.54 O ATOM 0 H GLU A 68 -2.458 7.029 -5.831 1.00 0.53 H new ATOM 0 HA GLU A 68 -1.760 5.562 -8.336 1.00 0.59 H new ATOM 0 HB2 GLU A 68 -2.488 7.836 -8.902 1.00 0.80 H new ATOM 0 HB3 GLU A 68 -1.341 8.494 -7.752 1.00 0.80 H new ATOM 0 HG2 GLU A 68 -0.389 6.684 -9.987 1.00 2.12 H new ATOM 0 HG3 GLU A 68 -0.713 8.377 -10.299 1.00 2.12 H new ATOM 1052 N PRO A 69 0.127 4.724 -6.887 1.00 0.59 N ATOM 1053 CA PRO A 69 1.282 4.257 -6.135 1.00 0.67 C ATOM 1054 C PRO A 69 2.608 4.522 -6.854 1.00 0.81 C ATOM 1055 O PRO A 69 3.117 3.666 -7.579 1.00 1.23 O ATOM 1056 CB PRO A 69 1.044 2.765 -5.906 1.00 0.77 C ATOM 1057 CG PRO A 69 0.161 2.329 -7.071 1.00 0.80 C ATOM 1058 CD PRO A 69 -0.610 3.597 -7.451 1.00 0.74 C ATOM 0 HA PRO A 69 1.376 4.800 -5.194 1.00 0.67 H new ATOM 0 HB2 PRO A 69 1.983 2.212 -5.893 1.00 0.77 H new ATOM 0 HB3 PRO A 69 0.554 2.585 -4.949 1.00 0.77 H new ATOM 0 HG2 PRO A 69 0.756 1.959 -7.906 1.00 0.80 H new ATOM 0 HG3 PRO A 69 -0.514 1.524 -6.780 1.00 0.80 H new ATOM 0 HD2 PRO A 69 -0.690 3.691 -8.534 1.00 0.74 H new ATOM 0 HD3 PRO A 69 -1.626 3.564 -7.058 1.00 0.74 H new ATOM 1066 N SER A 70 3.229 5.666 -6.570 1.00 0.91 N ATOM 1067 CA SER A 70 4.581 5.951 -7.009 1.00 1.10 C ATOM 1068 C SER A 70 5.580 5.238 -6.093 1.00 0.97 C ATOM 1069 O SER A 70 5.757 5.593 -4.925 1.00 1.24 O ATOM 1070 CB SER A 70 4.845 7.451 -6.963 1.00 1.36 C ATOM 1071 OG SER A 70 3.941 8.199 -7.752 1.00 2.09 O ATOM 0 H SER A 70 2.803 6.418 -6.028 1.00 0.91 H new ATOM 0 HA SER A 70 4.699 5.597 -8.033 1.00 1.10 H new ATOM 0 HB2 SER A 70 4.784 7.793 -5.930 1.00 1.36 H new ATOM 0 HB3 SER A 70 5.862 7.645 -7.304 1.00 1.36 H new ATOM 0 HG SER A 70 3.344 7.589 -8.233 1.00 2.09 H new ATOM 1077 N LEU A 71 6.294 4.261 -6.639 1.00 0.85 N ATOM 1078 CA LEU A 71 7.404 3.602 -5.973 1.00 0.83 C ATOM 1079 C LEU A 71 8.630 4.522 -6.019 1.00 1.13 C ATOM 1080 O LEU A 71 9.580 4.286 -6.759 1.00 1.94 O ATOM 1081 CB LEU A 71 7.635 2.226 -6.618 1.00 1.09 C ATOM 1082 CG LEU A 71 8.160 1.222 -5.587 1.00 2.20 C ATOM 1083 CD1 LEU A 71 8.218 -0.177 -6.212 1.00 3.11 C ATOM 1084 CD2 LEU A 71 9.541 1.594 -5.034 1.00 3.20 C ATOM 0 H LEU A 71 6.112 3.900 -7.575 1.00 0.85 H new ATOM 0 HA LEU A 71 7.189 3.418 -4.920 1.00 0.83 H new ATOM 0 HB2 LEU A 71 6.702 1.859 -7.047 1.00 1.09 H new ATOM 0 HB3 LEU A 71 8.348 2.319 -7.437 1.00 1.09 H new ATOM 0 HG LEU A 71 7.465 1.239 -4.747 1.00 2.20 H new ATOM 0 HD11 LEU A 71 8.592 -0.889 -5.476 1.00 3.11 H new ATOM 0 HD12 LEU A 71 7.219 -0.475 -6.530 1.00 3.11 H new ATOM 0 HD13 LEU A 71 8.884 -0.163 -7.074 1.00 3.11 H new ATOM 0 HD21 LEU A 71 9.857 0.844 -4.309 1.00 3.20 H new ATOM 0 HD22 LEU A 71 10.261 1.635 -5.851 1.00 3.20 H new ATOM 0 HD23 LEU A 71 9.488 2.568 -4.548 1.00 3.20 H new ATOM 1096 N VAL A 72 8.588 5.603 -5.236 1.00 1.66 N ATOM 1097 CA VAL A 72 9.608 6.650 -5.269 1.00 2.11 C ATOM 1098 C VAL A 72 10.973 6.114 -4.817 1.00 1.64 C ATOM 1099 O VAL A 72 11.982 6.409 -5.455 1.00 2.17 O ATOM 1100 CB VAL A 72 9.152 7.875 -4.453 1.00 3.04 C ATOM 1101 CG1 VAL A 72 10.221 8.977 -4.428 1.00 4.18 C ATOM 1102 CG2 VAL A 72 7.888 8.489 -5.068 1.00 4.09 C ATOM 0 H VAL A 72 7.843 5.776 -4.560 1.00 1.66 H new ATOM 0 HA VAL A 72 9.735 6.979 -6.300 1.00 2.11 H new ATOM 0 HB VAL A 72 8.966 7.517 -3.440 1.00 3.04 H new ATOM 0 HG11 VAL A 72 9.859 9.822 -3.842 1.00 4.18 H new ATOM 0 HG12 VAL A 72 11.134 8.588 -3.977 1.00 4.18 H new ATOM 0 HG13 VAL A 72 10.430 9.304 -5.446 1.00 4.18 H new ATOM 0 HG21 VAL A 72 7.580 9.353 -4.479 1.00 4.09 H new ATOM 0 HG22 VAL A 72 8.096 8.803 -6.091 1.00 4.09 H new ATOM 0 HG23 VAL A 72 7.088 7.748 -5.071 1.00 4.09 H new ATOM 1112 N LYS A 73 11.002 5.315 -3.744 1.00 1.43 N ATOM 1113 CA LYS A 73 12.206 4.882 -3.029 1.00 1.97 C ATOM 1114 C LYS A 73 13.222 6.028 -2.831 1.00 2.52 C ATOM 1115 O LYS A 73 12.834 7.192 -2.788 1.00 3.37 O ATOM 1116 CB LYS A 73 12.771 3.540 -3.566 1.00 2.84 C ATOM 1117 CG LYS A 73 13.660 3.548 -4.828 1.00 4.06 C ATOM 1118 CD LYS A 73 12.892 3.507 -6.156 1.00 5.07 C ATOM 1119 CE LYS A 73 13.659 4.181 -7.309 1.00 6.67 C ATOM 1120 NZ LYS A 73 13.921 5.613 -7.051 1.00 7.36 N ATOM 0 H LYS A 73 10.149 4.936 -3.333 1.00 1.43 H new ATOM 0 HA LYS A 73 11.916 4.632 -2.008 1.00 1.97 H new ATOM 0 HB2 LYS A 73 13.347 3.081 -2.762 1.00 2.84 H new ATOM 0 HB3 LYS A 73 11.924 2.884 -3.766 1.00 2.84 H new ATOM 0 HG2 LYS A 73 14.282 4.443 -4.812 1.00 4.06 H new ATOM 0 HG3 LYS A 73 14.333 2.691 -4.787 1.00 4.06 H new ATOM 0 HD2 LYS A 73 12.686 2.470 -6.420 1.00 5.07 H new ATOM 0 HD3 LYS A 73 11.929 4.001 -6.029 1.00 5.07 H new ATOM 0 HE2 LYS A 73 14.606 3.663 -7.463 1.00 6.67 H new ATOM 0 HE3 LYS A 73 13.086 4.080 -8.231 1.00 6.67 H new ATOM 0 HZ1 LYS A 73 13.986 6.122 -7.955 1.00 7.36 H new ATOM 0 HZ2 LYS A 73 13.145 6.011 -6.485 1.00 7.36 H new ATOM 0 HZ3 LYS A 73 14.816 5.714 -6.531 1.00 7.36 H new ATOM 1134 N ILE A 74 14.512 5.715 -2.687 1.00 2.98 N ATOM 1135 CA ILE A 74 15.571 6.720 -2.744 1.00 3.97 C ATOM 1136 C ILE A 74 15.710 7.231 -4.184 1.00 4.74 C ATOM 1137 O ILE A 74 15.570 6.448 -5.127 1.00 5.26 O ATOM 1138 CB ILE A 74 16.886 6.134 -2.184 1.00 4.82 C ATOM 1139 CG1 ILE A 74 18.046 7.139 -2.129 1.00 5.98 C ATOM 1140 CG2 ILE A 74 17.409 4.943 -2.983 1.00 5.64 C ATOM 1141 CD1 ILE A 74 17.817 8.165 -1.032 1.00 6.54 C ATOM 0 H ILE A 74 14.848 4.765 -2.529 1.00 2.98 H new ATOM 0 HA ILE A 74 15.318 7.576 -2.118 1.00 3.97 H new ATOM 0 HB ILE A 74 16.594 5.834 -1.178 1.00 4.82 H new ATOM 0 HG12 ILE A 74 18.983 6.611 -1.950 1.00 5.98 H new ATOM 0 HG13 ILE A 74 18.143 7.643 -3.091 1.00 5.98 H new ATOM 0 HG21 ILE A 74 18.334 4.582 -2.534 1.00 5.64 H new ATOM 0 HG22 ILE A 74 16.666 4.145 -2.975 1.00 5.64 H new ATOM 0 HG23 ILE A 74 17.600 5.250 -4.011 1.00 5.64 H new ATOM 0 HD11 ILE A 74 18.651 8.867 -1.011 1.00 6.54 H new ATOM 0 HD12 ILE A 74 16.891 8.706 -1.228 1.00 6.54 H new ATOM 0 HD13 ILE A 74 17.744 7.659 -0.070 1.00 6.54 H new ATOM 1153 N GLU A 75 15.995 8.521 -4.345 1.00 5.58 N ATOM 1154 CA GLU A 75 16.468 9.160 -5.558 1.00 6.98 C ATOM 1155 C GLU A 75 17.651 10.003 -5.075 1.00 7.63 C ATOM 1156 O GLU A 75 17.651 10.295 -3.853 1.00 7.84 O ATOM 1157 CB GLU A 75 15.376 10.065 -6.150 1.00 7.74 C ATOM 1158 CG GLU A 75 14.211 9.301 -6.804 1.00 8.24 C ATOM 1159 CD GLU A 75 14.535 8.854 -8.226 1.00 9.65 C ATOM 1160 OE1 GLU A 75 14.653 9.746 -9.091 1.00 10.50 O ATOM 1161 OE2 GLU A 75 14.617 7.624 -8.436 1.00 10.23 O ATOM 1162 OXT GLU A 75 18.526 10.321 -5.906 1.00 8.43 O ATOM 0 H GLU A 75 15.893 9.186 -3.578 1.00 5.58 H new ATOM 0 HA GLU A 75 16.737 8.448 -6.339 1.00 6.98 H new ATOM 0 HB2 GLU A 75 14.980 10.702 -5.359 1.00 7.74 H new ATOM 0 HB3 GLU A 75 15.828 10.722 -6.893 1.00 7.74 H new ATOM 0 HG2 GLU A 75 13.967 8.428 -6.198 1.00 8.24 H new ATOM 0 HG3 GLU A 75 13.326 9.937 -6.819 1.00 8.24 H new TER 1169 GLU A 75