USER MOD reduce.3.24.130724 H: found=0, std=0, add=1133, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1136 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 75 THR OG1 : rot -3:sc= -0.0116 USER MOD Set 1.2: A 78 THR OG1 : rot 70:sc= 1.36 USER MOD Set 2.1: A 5 ASN : amide:sc= 0.00872 K(o=0.0087,f=-6!) USER MOD Set 2.2: A 135 ASN : amide:sc= 0 K(o=0.0087,f=-3.4!) USER MOD Single : A 4 SER OG : rot -30:sc= 0.388 USER MOD Single : A 14 SER OG : rot -76:sc= 0.64 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -142:sc= 1.29 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.083) USER MOD Single : A 43 SER OG : rot 162:sc= 1.33 USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= -0.0597 (180deg=-0.275) USER MOD Single : A 48 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.53) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -74:sc= 1.02 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.949 K(o=-0.95,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -4.74! C(o=-4.7!,f=-7.2!) USER MOD Single : A 80 TYR OH : rot -134:sc= 1.14 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -3.52! K(o=-3.5!,f=-1.2) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 96 ASN : amide:sc= -1.4 K(o=-1.4,f=0) USER MOD Single : A 105 SER OG : rot 75:sc= 1.24 USER MOD Single : A 111 CYS SG : rot -75:sc= 0.576 USER MOD Single : A 114 SER OG : rot 73:sc= 0.438 USER MOD Single : A 117 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0447) USER MOD Single : A 119 MET CE :methyl -149:sc= -4.39! (180deg=-7.08!) USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl -113:sc= -3.16! (180deg=-6.51!) USER MOD Single : A 132 THR OG1 : rot 83:sc= 1.28 USER MOD Single : A 133 TYR OH : rot 75:sc= 0.0517 USER MOD Single : A 137 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4.4!) USER MOD Single : A 143 GLN : amide:sc= -0.193 K(o=-0.19,f=-0.76) USER MOD Single : A 145 ASN : amide:sc= 1.02 K(o=1,f=-0.038) USER MOD Single : A 150 THR OG1 : rot 159:sc= 1.15 USER MOD Single : A 157 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 158 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 4 5.740 -0.525 13.419 1.00 0.88 N ATOM 49 CA SER A 4 4.313 -0.554 13.108 1.00 0.77 C ATOM 50 C SER A 4 4.061 -0.254 11.631 1.00 0.62 C ATOM 51 O SER A 4 3.307 -0.961 10.966 1.00 0.64 O ATOM 52 CB SER A 4 3.569 0.442 14.002 1.00 1.02 C ATOM 53 OG SER A 4 4.305 1.648 14.136 1.00 1.34 O ATOM 0 HA SER A 4 3.935 -1.557 13.305 1.00 0.77 H new ATOM 0 HB2 SER A 4 2.588 0.655 13.578 1.00 1.02 H new ATOM 0 HB3 SER A 4 3.403 0.001 14.985 1.00 1.02 H new ATOM 0 HG SER A 4 5.263 1.456 14.064 1.00 1.34 H new ATOM 59 N ASN A 5 4.708 0.782 11.110 1.00 0.59 N ATOM 60 CA ASN A 5 4.578 1.113 9.690 1.00 0.55 C ATOM 61 C ASN A 5 5.232 0.032 8.826 1.00 0.43 C ATOM 62 O ASN A 5 4.875 -0.157 7.662 1.00 0.44 O ATOM 63 CB ASN A 5 5.160 2.507 9.375 1.00 0.65 C ATOM 64 CG ASN A 5 6.580 2.715 9.891 1.00 0.94 C ATOM 65 OD1 ASN A 5 7.362 1.776 9.995 1.00 1.71 O ATOM 66 ND2 ASN A 5 6.930 3.955 10.211 1.00 0.67 N ATOM 0 H ASN A 5 5.321 1.402 11.639 1.00 0.59 H new ATOM 0 HA ASN A 5 3.515 1.148 9.450 1.00 0.55 H new ATOM 0 HB2 ASN A 5 5.150 2.658 8.296 1.00 0.65 H new ATOM 0 HB3 ASN A 5 4.511 3.267 9.809 1.00 0.65 H new ATOM 0 HD21 ASN A 5 7.871 4.147 10.554 1.00 0.67 H new ATOM 0 HD22 ASN A 5 6.258 4.716 10.114 1.00 0.67 H new ATOM 73 N ARG A 6 6.174 -0.693 9.418 1.00 0.41 N ATOM 74 CA ARG A 6 6.847 -1.798 8.751 1.00 0.41 C ATOM 75 C ARG A 6 5.865 -2.930 8.433 1.00 0.37 C ATOM 76 O ARG A 6 6.077 -3.692 7.486 1.00 0.38 O ATOM 77 CB ARG A 6 7.989 -2.313 9.631 1.00 0.54 C ATOM 78 CG ARG A 6 8.718 -3.520 9.062 1.00 0.65 C ATOM 79 CD ARG A 6 9.815 -3.995 9.996 1.00 0.83 C ATOM 80 NE ARG A 6 10.393 -5.264 9.565 1.00 1.50 N ATOM 81 CZ ARG A 6 11.150 -6.035 10.342 1.00 2.14 C ATOM 82 NH1 ARG A 6 11.420 -5.665 11.590 1.00 2.16 N ATOM 83 NH2 ARG A 6 11.627 -7.177 9.866 1.00 3.18 N ATOM 0 H ARG A 6 6.492 -0.530 10.374 1.00 0.41 H new ATOM 0 HA ARG A 6 7.256 -1.437 7.807 1.00 0.41 H new ATOM 0 HB2 ARG A 6 8.707 -1.507 9.783 1.00 0.54 H new ATOM 0 HB3 ARG A 6 7.589 -2.573 10.611 1.00 0.54 H new ATOM 0 HG2 ARG A 6 8.008 -4.329 8.892 1.00 0.65 H new ATOM 0 HG3 ARG A 6 9.148 -3.264 8.094 1.00 0.65 H new ATOM 0 HD2 ARG A 6 10.599 -3.239 10.048 1.00 0.83 H new ATOM 0 HD3 ARG A 6 9.411 -4.105 11.002 1.00 0.83 H new ATOM 0 HE ARG A 6 10.206 -5.578 8.613 1.00 1.50 H new ATOM 0 HH11 ARG A 6 11.047 -4.788 11.954 1.00 2.16 H new ATOM 0 HH12 ARG A 6 12.000 -6.258 12.183 1.00 2.16 H new ATOM 0 HH21 ARG A 6 11.413 -7.460 8.910 1.00 3.18 H new ATOM 0 HH22 ARG A 6 12.208 -7.773 10.456 1.00 3.18 H new ATOM 97 N GLU A 7 4.785 -3.028 9.213 1.00 0.36 N ATOM 98 CA GLU A 7 3.759 -4.042 8.968 1.00 0.37 C ATOM 99 C GLU A 7 3.163 -3.864 7.583 1.00 0.29 C ATOM 100 O GLU A 7 2.901 -4.834 6.875 1.00 0.29 O ATOM 101 CB GLU A 7 2.628 -3.954 9.992 1.00 0.46 C ATOM 102 CG GLU A 7 3.033 -4.273 11.417 1.00 0.60 C ATOM 103 CD GLU A 7 1.831 -4.323 12.334 1.00 1.39 C ATOM 104 OE1 GLU A 7 1.197 -5.402 12.420 1.00 1.58 O ATOM 105 OE2 GLU A 7 1.500 -3.289 12.944 1.00 2.00 O ATOM 0 H GLU A 7 4.600 -2.422 10.013 1.00 0.36 H new ATOM 0 HA GLU A 7 4.243 -5.015 9.052 1.00 0.37 H new ATOM 0 HB2 GLU A 7 2.210 -2.948 9.965 1.00 0.46 H new ATOM 0 HB3 GLU A 7 1.833 -4.637 9.694 1.00 0.46 H new ATOM 0 HG2 GLU A 7 3.553 -5.231 11.443 1.00 0.60 H new ATOM 0 HG3 GLU A 7 3.735 -3.519 11.775 1.00 0.60 H new ATOM 112 N LEU A 8 2.981 -2.608 7.205 1.00 0.27 N ATOM 113 CA LEU A 8 2.357 -2.258 5.941 1.00 0.28 C ATOM 114 C LEU A 8 3.217 -2.737 4.788 1.00 0.28 C ATOM 115 O LEU A 8 2.720 -3.104 3.727 1.00 0.39 O ATOM 116 CB LEU A 8 2.167 -0.744 5.876 1.00 0.31 C ATOM 117 CG LEU A 8 1.493 -0.139 7.100 1.00 0.33 C ATOM 118 CD1 LEU A 8 1.473 1.374 6.999 1.00 0.36 C ATOM 119 CD2 LEU A 8 0.090 -0.700 7.251 1.00 0.35 C ATOM 0 H LEU A 8 3.262 -1.804 7.766 1.00 0.27 H new ATOM 0 HA LEU A 8 1.384 -2.743 5.866 1.00 0.28 H new ATOM 0 HB2 LEU A 8 3.141 -0.274 5.744 1.00 0.31 H new ATOM 0 HB3 LEU A 8 1.574 -0.502 4.994 1.00 0.31 H new ATOM 0 HG LEU A 8 2.064 -0.405 7.990 1.00 0.33 H new ATOM 0 HD11 LEU A 8 0.988 1.791 7.881 1.00 0.36 H new ATOM 0 HD12 LEU A 8 2.495 1.748 6.936 1.00 0.36 H new ATOM 0 HD13 LEU A 8 0.922 1.672 6.107 1.00 0.36 H new ATOM 0 HD21 LEU A 8 -0.385 -0.262 8.129 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -0.496 -0.459 6.364 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.142 -1.782 7.369 1.00 0.35 H new ATOM 131 N VAL A 9 4.516 -2.738 5.022 1.00 0.26 N ATOM 132 CA VAL A 9 5.468 -3.261 4.068 1.00 0.28 C ATOM 133 C VAL A 9 5.409 -4.782 4.046 1.00 0.29 C ATOM 134 O VAL A 9 5.047 -5.384 3.037 1.00 0.31 O ATOM 135 CB VAL A 9 6.894 -2.817 4.428 1.00 0.32 C ATOM 136 CG1 VAL A 9 7.907 -3.477 3.511 1.00 0.38 C ATOM 137 CG2 VAL A 9 7.005 -1.304 4.365 1.00 0.31 C ATOM 0 H VAL A 9 4.937 -2.376 5.878 1.00 0.26 H new ATOM 0 HA VAL A 9 5.210 -2.871 3.083 1.00 0.28 H new ATOM 0 HB VAL A 9 7.111 -3.133 5.448 1.00 0.32 H new ATOM 0 HG11 VAL A 9 8.911 -3.150 3.782 1.00 0.38 H new ATOM 0 HG12 VAL A 9 7.839 -4.560 3.613 1.00 0.38 H new ATOM 0 HG13 VAL A 9 7.700 -3.196 2.478 1.00 0.38 H new ATOM 0 HG21 VAL A 9 8.020 -1.003 4.622 1.00 0.31 H new ATOM 0 HG22 VAL A 9 6.770 -0.964 3.357 1.00 0.31 H new ATOM 0 HG23 VAL A 9 6.304 -0.858 5.071 1.00 0.31 H new ATOM 147 N VAL A 10 5.761 -5.386 5.177 1.00 0.30 N ATOM 148 CA VAL A 10 5.837 -6.835 5.302 1.00 0.32 C ATOM 149 C VAL A 10 4.553 -7.513 4.835 1.00 0.35 C ATOM 150 O VAL A 10 4.597 -8.416 4.000 1.00 0.36 O ATOM 151 CB VAL A 10 6.131 -7.247 6.758 1.00 0.37 C ATOM 152 CG1 VAL A 10 6.078 -8.757 6.916 1.00 0.42 C ATOM 153 CG2 VAL A 10 7.488 -6.715 7.192 1.00 0.38 C ATOM 0 H VAL A 10 6.001 -4.884 6.032 1.00 0.30 H new ATOM 0 HA VAL A 10 6.654 -7.164 4.660 1.00 0.32 H new ATOM 0 HB VAL A 10 5.363 -6.813 7.398 1.00 0.37 H new ATOM 0 HG11 VAL A 10 6.289 -9.022 7.952 1.00 0.42 H new ATOM 0 HG12 VAL A 10 5.086 -9.117 6.644 1.00 0.42 H new ATOM 0 HG13 VAL A 10 6.822 -9.217 6.265 1.00 0.42 H new ATOM 0 HG21 VAL A 10 7.683 -7.013 8.222 1.00 0.38 H new ATOM 0 HG22 VAL A 10 8.263 -7.123 6.543 1.00 0.38 H new ATOM 0 HG23 VAL A 10 7.492 -5.627 7.122 1.00 0.38 H new ATOM 163 N ASP A 11 3.417 -7.072 5.362 1.00 0.39 N ATOM 164 CA ASP A 11 2.139 -7.703 5.044 1.00 0.46 C ATOM 165 C ASP A 11 1.815 -7.564 3.561 1.00 0.44 C ATOM 166 O ASP A 11 1.258 -8.475 2.954 1.00 0.50 O ATOM 167 CB ASP A 11 1.003 -7.109 5.880 1.00 0.55 C ATOM 168 CG ASP A 11 -0.302 -7.852 5.676 1.00 0.71 C ATOM 169 OD1 ASP A 11 -0.548 -8.839 6.396 1.00 0.92 O ATOM 170 OD2 ASP A 11 -1.087 -7.450 4.789 1.00 0.84 O ATOM 0 H ASP A 11 3.353 -6.285 6.008 1.00 0.39 H new ATOM 0 HA ASP A 11 2.232 -8.762 5.287 1.00 0.46 H new ATOM 0 HB2 ASP A 11 1.276 -7.139 6.935 1.00 0.55 H new ATOM 0 HB3 ASP A 11 0.868 -6.060 5.615 1.00 0.55 H new ATOM 175 N PHE A 12 2.192 -6.437 2.974 1.00 0.41 N ATOM 176 CA PHE A 12 1.907 -6.197 1.564 1.00 0.42 C ATOM 177 C PHE A 12 2.796 -7.079 0.695 1.00 0.37 C ATOM 178 O PHE A 12 2.324 -7.705 -0.254 1.00 0.41 O ATOM 179 CB PHE A 12 2.114 -4.718 1.203 1.00 0.44 C ATOM 180 CG PHE A 12 1.467 -4.312 -0.095 1.00 0.48 C ATOM 181 CD1 PHE A 12 2.159 -4.431 -1.291 1.00 0.46 C ATOM 182 CD2 PHE A 12 0.173 -3.812 -0.123 1.00 0.62 C ATOM 183 CE1 PHE A 12 1.574 -4.059 -2.487 1.00 0.51 C ATOM 184 CE2 PHE A 12 -0.415 -3.439 -1.317 1.00 0.68 C ATOM 185 CZ PHE A 12 0.260 -3.562 -2.487 1.00 0.60 C ATOM 0 H PHE A 12 2.690 -5.681 3.444 1.00 0.41 H new ATOM 0 HA PHE A 12 0.863 -6.448 1.379 1.00 0.42 H new ATOM 0 HB2 PHE A 12 1.715 -4.099 2.006 1.00 0.44 H new ATOM 0 HB3 PHE A 12 3.183 -4.514 1.144 1.00 0.44 H new ATOM 0 HD1 PHE A 12 3.167 -4.819 -1.288 1.00 0.46 H new ATOM 0 HD2 PHE A 12 -0.381 -3.713 0.799 1.00 0.62 H new ATOM 0 HE1 PHE A 12 2.122 -4.150 -3.413 1.00 0.51 H new ATOM 0 HE2 PHE A 12 -1.421 -3.046 -1.318 1.00 0.68 H new ATOM 0 HZ PHE A 12 -0.212 -3.279 -3.416 1.00 0.60 H new ATOM 195 N LEU A 13 4.078 -7.148 1.038 1.00 0.33 N ATOM 196 CA LEU A 13 5.030 -7.924 0.257 1.00 0.32 C ATOM 197 C LEU A 13 4.725 -9.412 0.376 1.00 0.33 C ATOM 198 O LEU A 13 4.764 -10.145 -0.612 1.00 0.35 O ATOM 199 CB LEU A 13 6.464 -7.640 0.714 1.00 0.32 C ATOM 200 CG LEU A 13 6.850 -6.159 0.768 1.00 0.34 C ATOM 201 CD1 LEU A 13 8.340 -6.000 1.021 1.00 0.40 C ATOM 202 CD2 LEU A 13 6.445 -5.443 -0.510 1.00 0.38 C ATOM 0 H LEU A 13 4.479 -6.677 1.849 1.00 0.33 H new ATOM 0 HA LEU A 13 4.936 -7.629 -0.788 1.00 0.32 H new ATOM 0 HB2 LEU A 13 6.605 -8.072 1.705 1.00 0.32 H new ATOM 0 HB3 LEU A 13 7.151 -8.154 0.042 1.00 0.32 H new ATOM 0 HG LEU A 13 6.310 -5.702 1.597 1.00 0.34 H new ATOM 0 HD11 LEU A 13 8.592 -4.940 1.056 1.00 0.40 H new ATOM 0 HD12 LEU A 13 8.599 -6.466 1.972 1.00 0.40 H new ATOM 0 HD13 LEU A 13 8.899 -6.480 0.217 1.00 0.40 H new ATOM 0 HD21 LEU A 13 6.731 -4.393 -0.445 1.00 0.38 H new ATOM 0 HD22 LEU A 13 6.948 -5.904 -1.360 1.00 0.38 H new ATOM 0 HD23 LEU A 13 5.366 -5.518 -0.643 1.00 0.38 H new ATOM 214 N SER A 14 4.396 -9.845 1.587 1.00 0.34 N ATOM 215 CA SER A 14 4.049 -11.237 1.828 1.00 0.38 C ATOM 216 C SER A 14 2.776 -11.618 1.076 1.00 0.39 C ATOM 217 O SER A 14 2.652 -12.737 0.584 1.00 0.41 O ATOM 218 CB SER A 14 3.888 -11.492 3.329 1.00 0.45 C ATOM 219 OG SER A 14 3.015 -10.549 3.923 1.00 1.14 O ATOM 0 H SER A 14 4.363 -9.251 2.416 1.00 0.34 H new ATOM 0 HA SER A 14 4.860 -11.863 1.455 1.00 0.38 H new ATOM 0 HB2 SER A 14 3.502 -12.499 3.489 1.00 0.45 H new ATOM 0 HB3 SER A 14 4.863 -11.444 3.814 1.00 0.45 H new ATOM 0 HG SER A 14 3.482 -9.694 4.032 1.00 1.14 H new ATOM 225 N TYR A 15 1.847 -10.672 0.967 1.00 0.42 N ATOM 226 CA TYR A 15 0.594 -10.910 0.259 1.00 0.47 C ATOM 227 C TYR A 15 0.852 -11.041 -1.239 1.00 0.45 C ATOM 228 O TYR A 15 0.235 -11.865 -1.916 1.00 0.52 O ATOM 229 CB TYR A 15 -0.404 -9.778 0.530 1.00 0.55 C ATOM 230 CG TYR A 15 -1.779 -10.022 -0.056 1.00 0.66 C ATOM 231 CD1 TYR A 15 -2.684 -10.878 0.563 1.00 0.79 C ATOM 232 CD2 TYR A 15 -2.172 -9.394 -1.232 1.00 0.78 C ATOM 233 CE1 TYR A 15 -3.937 -11.098 0.026 1.00 0.96 C ATOM 234 CE2 TYR A 15 -3.424 -9.611 -1.771 1.00 0.94 C ATOM 235 CZ TYR A 15 -4.304 -10.479 -1.126 1.00 1.02 C ATOM 236 OH TYR A 15 -5.549 -10.681 -1.676 1.00 1.20 O ATOM 0 H TYR A 15 1.939 -9.735 1.360 1.00 0.42 H new ATOM 0 HA TYR A 15 0.163 -11.842 0.624 1.00 0.47 H new ATOM 0 HB2 TYR A 15 -0.498 -9.639 1.607 1.00 0.55 H new ATOM 0 HB3 TYR A 15 -0.005 -8.849 0.122 1.00 0.55 H new ATOM 0 HD1 TYR A 15 -2.402 -11.378 1.478 1.00 0.79 H new ATOM 0 HD2 TYR A 15 -1.487 -8.726 -1.732 1.00 0.78 H new ATOM 0 HE1 TYR A 15 -4.627 -11.764 0.523 1.00 0.96 H new ATOM 0 HE2 TYR A 15 -3.719 -9.113 -2.683 1.00 0.94 H new ATOM 0 HH TYR A 15 -5.633 -10.155 -2.498 1.00 1.20 H new ATOM 246 N LYS A 16 1.780 -10.240 -1.750 1.00 0.40 N ATOM 247 CA LYS A 16 2.136 -10.290 -3.160 1.00 0.41 C ATOM 248 C LYS A 16 2.803 -11.620 -3.487 1.00 0.35 C ATOM 249 O LYS A 16 2.457 -12.278 -4.467 1.00 0.39 O ATOM 250 CB LYS A 16 3.068 -9.131 -3.520 1.00 0.49 C ATOM 251 CG LYS A 16 2.436 -7.755 -3.359 1.00 0.90 C ATOM 252 CD LYS A 16 1.367 -7.486 -4.408 1.00 0.83 C ATOM 253 CE LYS A 16 1.943 -7.530 -5.815 1.00 1.35 C ATOM 254 NZ LYS A 16 0.977 -7.040 -6.831 1.00 1.39 N ATOM 0 H LYS A 16 2.298 -9.549 -1.208 1.00 0.40 H new ATOM 0 HA LYS A 16 1.224 -10.198 -3.750 1.00 0.41 H new ATOM 0 HB2 LYS A 16 3.958 -9.186 -2.894 1.00 0.49 H new ATOM 0 HB3 LYS A 16 3.397 -9.250 -4.552 1.00 0.49 H new ATOM 0 HG2 LYS A 16 1.996 -7.674 -2.365 1.00 0.90 H new ATOM 0 HG3 LYS A 16 3.211 -6.991 -3.428 1.00 0.90 H new ATOM 0 HD2 LYS A 16 0.571 -8.225 -4.316 1.00 0.83 H new ATOM 0 HD3 LYS A 16 0.917 -6.510 -4.228 1.00 0.83 H new ATOM 0 HE2 LYS A 16 2.848 -6.924 -5.855 1.00 1.35 H new ATOM 0 HE3 LYS A 16 2.233 -8.553 -6.055 1.00 1.35 H new ATOM 0 HZ1 LYS A 16 1.412 -7.088 -7.775 1.00 1.39 H new ATOM 0 HZ2 LYS A 16 0.123 -7.633 -6.813 1.00 1.39 H new ATOM 0 HZ3 LYS A 16 0.719 -6.055 -6.618 1.00 1.39 H new ATOM 268 N LEU A 17 3.752 -12.012 -2.650 1.00 0.30 N ATOM 269 CA LEU A 17 4.422 -13.295 -2.793 1.00 0.27 C ATOM 270 C LEU A 17 3.436 -14.447 -2.616 1.00 0.31 C ATOM 271 O LEU A 17 3.526 -15.463 -3.304 1.00 0.32 O ATOM 272 CB LEU A 17 5.556 -13.405 -1.775 1.00 0.25 C ATOM 273 CG LEU A 17 6.685 -12.400 -1.976 1.00 0.24 C ATOM 274 CD1 LEU A 17 7.629 -12.421 -0.792 1.00 0.29 C ATOM 275 CD2 LEU A 17 7.439 -12.702 -3.257 1.00 0.25 C ATOM 0 H LEU A 17 4.077 -11.455 -1.860 1.00 0.30 H new ATOM 0 HA LEU A 17 4.838 -13.358 -3.798 1.00 0.27 H new ATOM 0 HB2 LEU A 17 5.143 -13.274 -0.775 1.00 0.25 H new ATOM 0 HB3 LEU A 17 5.971 -14.412 -1.819 1.00 0.25 H new ATOM 0 HG LEU A 17 6.251 -11.403 -2.055 1.00 0.24 H new ATOM 0 HD11 LEU A 17 8.429 -11.698 -0.952 1.00 0.29 H new ATOM 0 HD12 LEU A 17 7.082 -12.162 0.114 1.00 0.29 H new ATOM 0 HD13 LEU A 17 8.057 -13.418 -0.685 1.00 0.29 H new ATOM 0 HD21 LEU A 17 8.242 -11.976 -3.386 1.00 0.25 H new ATOM 0 HD22 LEU A 17 7.862 -13.705 -3.202 1.00 0.25 H new ATOM 0 HD23 LEU A 17 6.756 -12.642 -4.104 1.00 0.25 H new ATOM 287 N SER A 18 2.490 -14.274 -1.698 1.00 0.37 N ATOM 288 CA SER A 18 1.440 -15.263 -1.470 1.00 0.44 C ATOM 289 C SER A 18 0.606 -15.447 -2.738 1.00 0.47 C ATOM 290 O SER A 18 0.217 -16.563 -3.083 1.00 0.51 O ATOM 291 CB SER A 18 0.548 -14.829 -0.293 1.00 0.54 C ATOM 292 OG SER A 18 -0.525 -15.734 -0.082 1.00 1.26 O ATOM 0 H SER A 18 2.429 -13.453 -1.096 1.00 0.37 H new ATOM 0 HA SER A 18 1.902 -16.218 -1.219 1.00 0.44 H new ATOM 0 HB2 SER A 18 1.150 -14.761 0.613 1.00 0.54 H new ATOM 0 HB3 SER A 18 0.150 -13.833 -0.487 1.00 0.54 H new ATOM 0 HG SER A 18 -1.068 -15.427 0.674 1.00 1.26 H new ATOM 298 N GLN A 19 0.364 -14.346 -3.445 1.00 0.48 N ATOM 299 CA GLN A 19 -0.389 -14.378 -4.689 1.00 0.53 C ATOM 300 C GLN A 19 0.407 -15.112 -5.767 1.00 0.48 C ATOM 301 O GLN A 19 -0.151 -15.822 -6.601 1.00 0.55 O ATOM 302 CB GLN A 19 -0.693 -12.946 -5.142 1.00 0.59 C ATOM 303 CG GLN A 19 -1.549 -12.854 -6.393 1.00 0.71 C ATOM 304 CD GLN A 19 -1.603 -11.443 -6.947 1.00 1.06 C ATOM 305 OE1 GLN A 19 -2.464 -10.646 -6.575 1.00 1.72 O ATOM 306 NE2 GLN A 19 -0.688 -11.126 -7.848 1.00 1.65 N ATOM 0 H GLN A 19 0.682 -13.416 -3.172 1.00 0.48 H new ATOM 0 HA GLN A 19 -1.327 -14.909 -4.526 1.00 0.53 H new ATOM 0 HB2 GLN A 19 -1.198 -12.420 -4.331 1.00 0.59 H new ATOM 0 HB3 GLN A 19 0.248 -12.427 -5.321 1.00 0.59 H new ATOM 0 HG2 GLN A 19 -1.152 -13.526 -7.153 1.00 0.71 H new ATOM 0 HG3 GLN A 19 -2.560 -13.192 -6.165 1.00 0.71 H new ATOM 0 HE21 GLN A 19 0.009 -11.815 -8.131 1.00 1.65 H new ATOM 0 HE22 GLN A 19 -0.680 -10.193 -8.260 1.00 1.65 H new ATOM 315 N LYS A 20 1.722 -14.944 -5.722 1.00 0.41 N ATOM 316 CA LYS A 20 2.616 -15.551 -6.702 1.00 0.40 C ATOM 317 C LYS A 20 2.875 -17.026 -6.387 1.00 0.44 C ATOM 318 O LYS A 20 3.399 -17.765 -7.222 1.00 0.48 O ATOM 319 CB LYS A 20 3.940 -14.789 -6.737 1.00 0.36 C ATOM 320 CG LYS A 20 3.804 -13.338 -7.169 1.00 0.68 C ATOM 321 CD LYS A 20 3.622 -13.208 -8.675 1.00 0.61 C ATOM 322 CE LYS A 20 3.455 -11.756 -9.092 1.00 1.06 C ATOM 323 NZ LYS A 20 3.543 -11.585 -10.566 1.00 1.87 N ATOM 0 H LYS A 20 2.197 -14.388 -5.011 1.00 0.41 H new ATOM 0 HA LYS A 20 2.133 -15.495 -7.678 1.00 0.40 H new ATOM 0 HB2 LYS A 20 4.393 -14.822 -5.746 1.00 0.36 H new ATOM 0 HB3 LYS A 20 4.623 -15.298 -7.417 1.00 0.36 H new ATOM 0 HG2 LYS A 20 2.952 -12.886 -6.660 1.00 0.68 H new ATOM 0 HG3 LYS A 20 4.690 -12.783 -6.861 1.00 0.68 H new ATOM 0 HD2 LYS A 20 4.484 -13.637 -9.185 1.00 0.61 H new ATOM 0 HD3 LYS A 20 2.749 -13.780 -8.988 1.00 0.61 H new ATOM 0 HE2 LYS A 20 2.491 -11.387 -8.741 1.00 1.06 H new ATOM 0 HE3 LYS A 20 4.223 -11.150 -8.611 1.00 1.06 H new ATOM 0 HZ1 LYS A 20 3.424 -10.580 -10.807 1.00 1.87 H new ATOM 0 HZ2 LYS A 20 4.472 -11.913 -10.899 1.00 1.87 H new ATOM 0 HZ3 LYS A 20 2.795 -12.142 -11.025 1.00 1.87 H new ATOM 337 N GLY A 21 2.508 -17.448 -5.183 1.00 0.48 N ATOM 338 CA GLY A 21 2.679 -18.838 -4.801 1.00 0.54 C ATOM 339 C GLY A 21 3.947 -19.099 -4.003 1.00 0.53 C ATOM 340 O GLY A 21 4.497 -20.200 -4.055 1.00 0.67 O ATOM 0 H GLY A 21 2.095 -16.853 -4.464 1.00 0.48 H new ATOM 0 HA2 GLY A 21 1.818 -19.153 -4.212 1.00 0.54 H new ATOM 0 HA3 GLY A 21 2.692 -19.454 -5.700 1.00 0.54 H new ATOM 344 N TYR A 22 4.425 -18.097 -3.272 1.00 0.43 N ATOM 345 CA TYR A 22 5.589 -18.281 -2.405 1.00 0.42 C ATOM 346 C TYR A 22 5.228 -18.004 -0.952 1.00 0.43 C ATOM 347 O TYR A 22 4.353 -17.185 -0.671 1.00 0.46 O ATOM 348 CB TYR A 22 6.748 -17.369 -2.829 1.00 0.40 C ATOM 349 CG TYR A 22 7.329 -17.706 -4.181 1.00 0.48 C ATOM 350 CD1 TYR A 22 7.906 -18.946 -4.425 1.00 0.65 C ATOM 351 CD2 TYR A 22 7.297 -16.784 -5.214 1.00 0.47 C ATOM 352 CE1 TYR A 22 8.435 -19.253 -5.661 1.00 0.75 C ATOM 353 CE2 TYR A 22 7.821 -17.083 -6.456 1.00 0.57 C ATOM 354 CZ TYR A 22 8.390 -18.321 -6.673 1.00 0.69 C ATOM 355 OH TYR A 22 8.916 -18.629 -7.904 1.00 0.81 O ATOM 0 H TYR A 22 4.030 -17.157 -3.260 1.00 0.43 H new ATOM 0 HA TYR A 22 5.908 -19.319 -2.503 1.00 0.42 H new ATOM 0 HB2 TYR A 22 6.399 -16.336 -2.842 1.00 0.40 H new ATOM 0 HB3 TYR A 22 7.538 -17.429 -2.080 1.00 0.40 H new ATOM 0 HD1 TYR A 22 7.941 -19.681 -3.634 1.00 0.65 H new ATOM 0 HD2 TYR A 22 6.854 -15.814 -5.045 1.00 0.47 H new ATOM 0 HE1 TYR A 22 8.883 -20.220 -5.834 1.00 0.75 H new ATOM 0 HE2 TYR A 22 7.786 -16.353 -7.251 1.00 0.57 H new ATOM 0 HH TYR A 22 9.360 -17.839 -8.277 1.00 0.81 H new ATOM 365 N SER A 23 5.898 -18.688 -0.035 1.00 0.45 N ATOM 366 CA SER A 23 5.652 -18.508 1.388 1.00 0.49 C ATOM 367 C SER A 23 6.631 -17.492 1.975 1.00 0.43 C ATOM 368 O SER A 23 7.846 -17.647 1.851 1.00 0.44 O ATOM 369 CB SER A 23 5.794 -19.848 2.110 1.00 0.59 C ATOM 370 OG SER A 23 5.142 -20.884 1.390 1.00 1.41 O ATOM 0 H SER A 23 6.619 -19.376 -0.253 1.00 0.45 H new ATOM 0 HA SER A 23 4.638 -18.131 1.524 1.00 0.49 H new ATOM 0 HB2 SER A 23 6.850 -20.091 2.229 1.00 0.59 H new ATOM 0 HB3 SER A 23 5.370 -19.773 3.111 1.00 0.59 H new ATOM 0 HG SER A 23 5.247 -21.732 1.870 1.00 1.41 H new ATOM 376 N TRP A 24 6.102 -16.466 2.628 1.00 0.43 N ATOM 377 CA TRP A 24 6.929 -15.406 3.201 1.00 0.41 C ATOM 378 C TRP A 24 7.795 -15.949 4.336 1.00 0.47 C ATOM 379 O TRP A 24 8.983 -15.630 4.432 1.00 0.53 O ATOM 380 CB TRP A 24 6.044 -14.252 3.703 1.00 0.44 C ATOM 381 CG TRP A 24 6.786 -13.224 4.511 1.00 0.46 C ATOM 382 CD1 TRP A 24 6.756 -13.079 5.871 1.00 0.55 C ATOM 383 CD2 TRP A 24 7.666 -12.202 4.020 1.00 0.43 C ATOM 384 NE1 TRP A 24 7.565 -12.041 6.254 1.00 0.57 N ATOM 385 CE2 TRP A 24 8.134 -11.484 5.137 1.00 0.50 C ATOM 386 CE3 TRP A 24 8.109 -11.825 2.746 1.00 0.39 C ATOM 387 CZ2 TRP A 24 9.018 -10.412 5.020 1.00 0.51 C ATOM 388 CZ3 TRP A 24 8.985 -10.762 2.632 1.00 0.43 C ATOM 389 CH2 TRP A 24 9.432 -10.067 3.762 1.00 0.48 C ATOM 0 H TRP A 24 5.100 -16.343 2.776 1.00 0.43 H new ATOM 0 HA TRP A 24 7.589 -15.026 2.422 1.00 0.41 H new ATOM 0 HB2 TRP A 24 5.582 -13.762 2.846 1.00 0.44 H new ATOM 0 HB3 TRP A 24 5.237 -14.663 4.309 1.00 0.44 H new ATOM 0 HD1 TRP A 24 6.178 -13.694 6.545 1.00 0.55 H new ATOM 0 HE1 TRP A 24 7.719 -11.733 7.214 1.00 0.57 H new ATOM 0 HE3 TRP A 24 7.772 -12.356 1.868 1.00 0.39 H new ATOM 0 HZ2 TRP A 24 9.363 -9.874 5.890 1.00 0.51 H new ATOM 0 HZ3 TRP A 24 9.331 -10.462 1.654 1.00 0.43 H new ATOM 0 HH2 TRP A 24 10.118 -9.242 3.639 1.00 0.48 H new ATOM 400 N SER A 25 7.208 -16.802 5.166 1.00 0.54 N ATOM 401 CA SER A 25 7.907 -17.365 6.319 1.00 0.63 C ATOM 402 C SER A 25 9.025 -18.328 5.900 1.00 0.63 C ATOM 403 O SER A 25 9.731 -18.881 6.749 1.00 0.75 O ATOM 404 CB SER A 25 6.905 -18.076 7.230 1.00 0.75 C ATOM 405 OG SER A 25 5.872 -17.187 7.625 1.00 1.20 O ATOM 0 H SER A 25 6.245 -17.122 5.063 1.00 0.54 H new ATOM 0 HA SER A 25 8.377 -16.544 6.861 1.00 0.63 H new ATOM 0 HB2 SER A 25 6.476 -18.932 6.710 1.00 0.75 H new ATOM 0 HB3 SER A 25 7.417 -18.462 8.111 1.00 0.75 H new ATOM 0 HG SER A 25 5.239 -17.659 8.206 1.00 1.20 H new ATOM 411 N GLN A 26 9.193 -18.521 4.597 1.00 0.61 N ATOM 412 CA GLN A 26 10.239 -19.391 4.088 1.00 0.73 C ATOM 413 C GLN A 26 11.456 -18.578 3.649 1.00 0.79 C ATOM 414 O GLN A 26 12.556 -19.113 3.521 1.00 0.93 O ATOM 415 CB GLN A 26 9.707 -20.226 2.914 1.00 0.80 C ATOM 416 CG GLN A 26 10.650 -21.341 2.469 1.00 1.25 C ATOM 417 CD GLN A 26 10.880 -22.386 3.549 1.00 1.53 C ATOM 418 OE1 GLN A 26 11.939 -23.012 3.607 1.00 1.91 O ATOM 419 NE2 GLN A 26 9.899 -22.580 4.416 1.00 2.26 N ATOM 0 H GLN A 26 8.617 -18.086 3.876 1.00 0.61 H new ATOM 0 HA GLN A 26 10.548 -20.062 4.890 1.00 0.73 H new ATOM 0 HB2 GLN A 26 8.750 -20.665 3.197 1.00 0.80 H new ATOM 0 HB3 GLN A 26 9.517 -19.565 2.068 1.00 0.80 H new ATOM 0 HG2 GLN A 26 10.240 -21.825 1.583 1.00 1.25 H new ATOM 0 HG3 GLN A 26 11.607 -20.907 2.180 1.00 1.25 H new ATOM 0 HE21 GLN A 26 9.035 -22.043 4.337 1.00 2.26 H new ATOM 0 HE22 GLN A 26 10.007 -23.266 5.163 1.00 2.26 H new ATOM 644 N GLU A 42 -3.541 0.357 14.236 1.00 1.02 N ATOM 645 CA GLU A 42 -3.924 1.312 13.209 1.00 0.87 C ATOM 646 C GLU A 42 -3.426 0.846 11.849 1.00 0.73 C ATOM 647 O GLU A 42 -3.820 1.380 10.809 1.00 0.63 O ATOM 648 CB GLU A 42 -3.367 2.701 13.530 1.00 1.05 C ATOM 649 CG GLU A 42 -3.873 3.270 14.845 1.00 1.53 C ATOM 650 CD GLU A 42 -3.417 4.693 15.075 1.00 2.12 C ATOM 651 OE1 GLU A 42 -3.971 5.606 14.433 1.00 2.42 O ATOM 652 OE2 GLU A 42 -2.514 4.908 15.905 1.00 2.82 O ATOM 0 HA GLU A 42 -5.012 1.375 13.184 1.00 0.87 H new ATOM 0 HB2 GLU A 42 -2.279 2.649 13.561 1.00 1.05 H new ATOM 0 HB3 GLU A 42 -3.630 3.384 12.723 1.00 1.05 H new ATOM 0 HG2 GLU A 42 -4.962 3.235 14.857 1.00 1.53 H new ATOM 0 HG3 GLU A 42 -3.525 2.643 15.666 1.00 1.53 H new ATOM 659 N SER A 43 -2.575 -0.170 11.871 1.00 0.79 N ATOM 660 CA SER A 43 -1.975 -0.711 10.662 1.00 0.75 C ATOM 661 C SER A 43 -3.035 -1.300 9.725 1.00 0.67 C ATOM 662 O SER A 43 -2.857 -1.313 8.507 1.00 0.62 O ATOM 663 CB SER A 43 -0.939 -1.773 11.040 1.00 0.94 C ATOM 664 OG SER A 43 -0.120 -1.319 12.109 1.00 1.14 O ATOM 0 H SER A 43 -2.282 -0.641 12.727 1.00 0.79 H new ATOM 0 HA SER A 43 -1.483 0.100 10.125 1.00 0.75 H new ATOM 0 HB2 SER A 43 -1.445 -2.694 11.329 1.00 0.94 H new ATOM 0 HB3 SER A 43 -0.319 -2.007 10.175 1.00 0.94 H new ATOM 0 HG SER A 43 0.322 -2.085 12.530 1.00 1.14 H new ATOM 670 N GLU A 44 -4.153 -1.756 10.286 1.00 0.72 N ATOM 671 CA GLU A 44 -5.208 -2.356 9.476 1.00 0.73 C ATOM 672 C GLU A 44 -5.956 -1.306 8.665 1.00 0.61 C ATOM 673 O GLU A 44 -6.453 -1.595 7.575 1.00 0.66 O ATOM 674 CB GLU A 44 -6.193 -3.143 10.340 1.00 0.85 C ATOM 675 CG GLU A 44 -5.638 -4.458 10.853 1.00 1.32 C ATOM 676 CD GLU A 44 -6.713 -5.338 11.447 1.00 1.96 C ATOM 677 OE1 GLU A 44 -7.552 -5.854 10.681 1.00 1.90 O ATOM 678 OE2 GLU A 44 -6.735 -5.507 12.682 1.00 2.98 O ATOM 0 H GLU A 44 -4.350 -1.722 11.286 1.00 0.72 H new ATOM 0 HA GLU A 44 -4.723 -3.045 8.785 1.00 0.73 H new ATOM 0 HB2 GLU A 44 -6.490 -2.528 11.190 1.00 0.85 H new ATOM 0 HB3 GLU A 44 -7.094 -3.341 9.760 1.00 0.85 H new ATOM 0 HG2 GLU A 44 -5.148 -4.987 10.036 1.00 1.32 H new ATOM 0 HG3 GLU A 44 -4.876 -4.260 11.606 1.00 1.32 H new ATOM 685 N ALA A 45 -6.018 -0.085 9.181 1.00 0.53 N ATOM 686 CA ALA A 45 -6.716 0.990 8.495 1.00 0.45 C ATOM 687 C ALA A 45 -5.977 1.365 7.225 1.00 0.39 C ATOM 688 O ALA A 45 -6.553 1.400 6.141 1.00 0.39 O ATOM 689 CB ALA A 45 -6.857 2.200 9.402 1.00 0.48 C ATOM 0 H ALA A 45 -5.594 0.183 10.069 1.00 0.53 H new ATOM 0 HA ALA A 45 -7.715 0.642 8.231 1.00 0.45 H new ATOM 0 HB1 ALA A 45 -7.382 2.994 8.871 1.00 0.48 H new ATOM 0 HB2 ALA A 45 -7.422 1.924 10.292 1.00 0.48 H new ATOM 0 HB3 ALA A 45 -5.868 2.552 9.695 1.00 0.48 H new ATOM 695 N VAL A 46 -4.688 1.626 7.367 1.00 0.36 N ATOM 696 CA VAL A 46 -3.849 1.962 6.234 1.00 0.32 C ATOM 697 C VAL A 46 -3.709 0.775 5.284 1.00 0.34 C ATOM 698 O VAL A 46 -3.660 0.948 4.067 1.00 0.35 O ATOM 699 CB VAL A 46 -2.464 2.468 6.692 1.00 0.33 C ATOM 700 CG1 VAL A 46 -2.060 1.836 8.011 1.00 0.34 C ATOM 701 CG2 VAL A 46 -1.419 2.191 5.629 1.00 0.34 C ATOM 0 H VAL A 46 -4.200 1.611 8.262 1.00 0.36 H new ATOM 0 HA VAL A 46 -4.336 2.772 5.692 1.00 0.32 H new ATOM 0 HB VAL A 46 -2.532 3.546 6.841 1.00 0.33 H new ATOM 0 HG11 VAL A 46 -1.081 2.211 8.309 1.00 0.34 H new ATOM 0 HG12 VAL A 46 -2.794 2.090 8.776 1.00 0.34 H new ATOM 0 HG13 VAL A 46 -2.015 0.753 7.897 1.00 0.34 H new ATOM 0 HG21 VAL A 46 -0.449 2.554 5.969 1.00 0.34 H new ATOM 0 HG22 VAL A 46 -1.361 1.118 5.447 1.00 0.34 H new ATOM 0 HG23 VAL A 46 -1.695 2.701 4.706 1.00 0.34 H new ATOM 711 N LYS A 47 -3.656 -0.428 5.840 1.00 0.41 N ATOM 712 CA LYS A 47 -3.666 -1.646 5.028 1.00 0.50 C ATOM 713 C LYS A 47 -4.874 -1.642 4.090 1.00 0.51 C ATOM 714 O LYS A 47 -4.782 -2.043 2.928 1.00 0.59 O ATOM 715 CB LYS A 47 -3.719 -2.890 5.922 1.00 0.63 C ATOM 716 CG LYS A 47 -3.729 -4.197 5.146 1.00 0.84 C ATOM 717 CD LYS A 47 -4.033 -5.378 6.050 1.00 1.45 C ATOM 718 CE LYS A 47 -4.024 -6.688 5.278 1.00 1.93 C ATOM 719 NZ LYS A 47 -5.005 -6.687 4.160 1.00 2.14 N ATOM 0 H LYS A 47 -3.606 -0.591 6.846 1.00 0.41 H new ATOM 0 HA LYS A 47 -2.749 -1.672 4.440 1.00 0.50 H new ATOM 0 HB2 LYS A 47 -2.860 -2.882 6.593 1.00 0.63 H new ATOM 0 HB3 LYS A 47 -4.611 -2.841 6.546 1.00 0.63 H new ATOM 0 HG2 LYS A 47 -4.474 -4.144 4.352 1.00 0.84 H new ATOM 0 HG3 LYS A 47 -2.761 -4.344 4.666 1.00 0.84 H new ATOM 0 HD2 LYS A 47 -3.297 -5.422 6.852 1.00 1.45 H new ATOM 0 HD3 LYS A 47 -5.007 -5.237 6.519 1.00 1.45 H new ATOM 0 HE2 LYS A 47 -3.024 -6.868 4.882 1.00 1.93 H new ATOM 0 HE3 LYS A 47 -4.250 -7.510 5.957 1.00 1.93 H new ATOM 0 HZ1 LYS A 47 -5.113 -7.654 3.792 1.00 2.14 H new ATOM 0 HZ2 LYS A 47 -5.924 -6.343 4.505 1.00 2.14 H new ATOM 0 HZ3 LYS A 47 -4.665 -6.063 3.400 1.00 2.14 H new ATOM 733 N GLN A 48 -6.003 -1.175 4.609 1.00 0.47 N ATOM 734 CA GLN A 48 -7.231 -1.085 3.830 1.00 0.52 C ATOM 735 C GLN A 48 -7.159 0.104 2.878 1.00 0.48 C ATOM 736 O GLN A 48 -7.661 0.052 1.753 1.00 0.54 O ATOM 737 CB GLN A 48 -8.433 -0.949 4.769 1.00 0.55 C ATOM 738 CG GLN A 48 -9.778 -1.005 4.065 1.00 0.85 C ATOM 739 CD GLN A 48 -9.976 -2.295 3.291 1.00 1.50 C ATOM 740 OE1 GLN A 48 -9.632 -2.387 2.113 1.00 2.23 O ATOM 741 NE2 GLN A 48 -10.524 -3.306 3.945 1.00 2.02 N ATOM 0 H GLN A 48 -6.093 -0.851 5.572 1.00 0.47 H new ATOM 0 HA GLN A 48 -7.349 -1.994 3.240 1.00 0.52 H new ATOM 0 HB2 GLN A 48 -8.391 -1.744 5.513 1.00 0.55 H new ATOM 0 HB3 GLN A 48 -8.355 -0.004 5.307 1.00 0.55 H new ATOM 0 HG2 GLN A 48 -10.575 -0.901 4.802 1.00 0.85 H new ATOM 0 HG3 GLN A 48 -9.863 -0.159 3.383 1.00 0.85 H new ATOM 0 HE21 GLN A 48 -10.797 -3.194 4.921 1.00 2.02 H new ATOM 0 HE22 GLN A 48 -10.673 -4.198 3.473 1.00 2.02 H new ATOM 750 N ALA A 49 -6.512 1.167 3.334 1.00 0.42 N ATOM 751 CA ALA A 49 -6.317 2.358 2.527 1.00 0.40 C ATOM 752 C ALA A 49 -5.495 2.042 1.286 1.00 0.39 C ATOM 753 O ALA A 49 -5.867 2.408 0.174 1.00 0.42 O ATOM 754 CB ALA A 49 -5.638 3.435 3.351 1.00 0.36 C ATOM 0 H ALA A 49 -6.110 1.226 4.270 1.00 0.42 H new ATOM 0 HA ALA A 49 -7.292 2.721 2.203 1.00 0.40 H new ATOM 0 HB1 ALA A 49 -5.495 4.325 2.739 1.00 0.36 H new ATOM 0 HB2 ALA A 49 -6.261 3.682 4.211 1.00 0.36 H new ATOM 0 HB3 ALA A 49 -4.670 3.073 3.696 1.00 0.36 H new ATOM 760 N LEU A 50 -4.382 1.340 1.486 1.00 0.38 N ATOM 761 CA LEU A 50 -3.511 0.945 0.381 1.00 0.39 C ATOM 762 C LEU A 50 -4.213 -0.043 -0.538 1.00 0.46 C ATOM 763 O LEU A 50 -3.867 -0.165 -1.710 1.00 0.49 O ATOM 764 CB LEU A 50 -2.201 0.331 0.893 1.00 0.39 C ATOM 765 CG LEU A 50 -1.043 1.313 1.109 1.00 0.33 C ATOM 766 CD1 LEU A 50 -0.696 2.029 -0.187 1.00 0.31 C ATOM 767 CD2 LEU A 50 -1.377 2.318 2.197 1.00 0.29 C ATOM 0 H LEU A 50 -4.061 1.033 2.404 1.00 0.38 H new ATOM 0 HA LEU A 50 -3.275 1.848 -0.182 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -2.404 -0.176 1.837 1.00 0.39 H new ATOM 0 HB3 LEU A 50 -1.878 -0.432 0.185 1.00 0.39 H new ATOM 0 HG LEU A 50 -0.174 0.740 1.431 1.00 0.33 H new ATOM 0 HD11 LEU A 50 0.128 2.721 -0.011 1.00 0.31 H new ATOM 0 HD12 LEU A 50 -0.401 1.297 -0.939 1.00 0.31 H new ATOM 0 HD13 LEU A 50 -1.566 2.583 -0.541 1.00 0.31 H new ATOM 0 HD21 LEU A 50 -0.539 3.002 2.330 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.265 2.882 1.911 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.567 1.792 3.132 1.00 0.29 H new ATOM 779 N ARG A 51 -5.202 -0.744 -0.004 1.00 0.52 N ATOM 780 CA ARG A 51 -5.971 -1.687 -0.795 1.00 0.61 C ATOM 781 C ARG A 51 -6.820 -0.943 -1.818 1.00 0.62 C ATOM 782 O ARG A 51 -6.739 -1.215 -3.016 1.00 0.69 O ATOM 783 CB ARG A 51 -6.846 -2.559 0.111 1.00 0.67 C ATOM 784 CG ARG A 51 -7.716 -3.561 -0.635 1.00 0.98 C ATOM 785 CD ARG A 51 -6.908 -4.405 -1.611 1.00 1.49 C ATOM 786 NE ARG A 51 -5.802 -5.116 -0.967 1.00 2.00 N ATOM 787 CZ ARG A 51 -4.749 -5.597 -1.632 1.00 2.89 C ATOM 788 NH1 ARG A 51 -4.630 -5.379 -2.936 1.00 3.39 N ATOM 789 NH2 ARG A 51 -3.804 -6.278 -0.996 1.00 3.74 N ATOM 0 H ARG A 51 -5.489 -0.676 0.972 1.00 0.52 H new ATOM 0 HA ARG A 51 -5.283 -2.341 -1.330 1.00 0.61 H new ATOM 0 HB2 ARG A 51 -6.203 -3.100 0.806 1.00 0.67 H new ATOM 0 HB3 ARG A 51 -7.488 -1.912 0.708 1.00 0.67 H new ATOM 0 HG2 ARG A 51 -8.213 -4.214 0.083 1.00 0.98 H new ATOM 0 HG3 ARG A 51 -8.498 -3.029 -1.177 1.00 0.98 H new ATOM 0 HD2 ARG A 51 -7.568 -5.128 -2.091 1.00 1.49 H new ATOM 0 HD3 ARG A 51 -6.512 -3.763 -2.398 1.00 1.49 H new ATOM 0 HE ARG A 51 -5.838 -5.251 0.043 1.00 2.00 H new ATOM 0 HH11 ARG A 51 -5.343 -4.844 -3.431 1.00 3.39 H new ATOM 0 HH12 ARG A 51 -3.825 -5.747 -3.443 1.00 3.39 H new ATOM 0 HH21 ARG A 51 -3.879 -6.437 0.009 1.00 3.74 H new ATOM 0 HH22 ARG A 51 -3.003 -6.642 -1.512 1.00 3.74 H new ATOM 803 N GLU A 52 -7.603 0.021 -1.348 1.00 0.59 N ATOM 804 CA GLU A 52 -8.429 0.827 -2.238 1.00 0.62 C ATOM 805 C GLU A 52 -7.553 1.702 -3.131 1.00 0.59 C ATOM 806 O GLU A 52 -7.875 1.942 -4.296 1.00 0.65 O ATOM 807 CB GLU A 52 -9.402 1.696 -1.437 1.00 0.66 C ATOM 808 CG GLU A 52 -10.482 0.903 -0.714 1.00 0.92 C ATOM 809 CD GLU A 52 -11.370 0.129 -1.668 1.00 1.23 C ATOM 810 OE1 GLU A 52 -12.246 0.742 -2.309 1.00 1.45 O ATOM 811 OE2 GLU A 52 -11.193 -1.101 -1.782 1.00 1.88 O ATOM 0 H GLU A 52 -7.683 0.263 -0.360 1.00 0.59 H new ATOM 0 HA GLU A 52 -9.009 0.152 -2.868 1.00 0.62 H new ATOM 0 HB2 GLU A 52 -8.839 2.276 -0.706 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -9.877 2.409 -2.111 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -10.013 0.210 -0.016 1.00 0.92 H new ATOM 0 HG3 GLU A 52 -11.095 1.584 -0.124 1.00 0.92 H new ATOM 818 N ALA A 53 -6.439 2.162 -2.578 1.00 0.52 N ATOM 819 CA ALA A 53 -5.488 2.974 -3.319 1.00 0.49 C ATOM 820 C ALA A 53 -4.823 2.165 -4.427 1.00 0.52 C ATOM 821 O ALA A 53 -4.623 2.659 -5.536 1.00 0.53 O ATOM 822 CB ALA A 53 -4.446 3.533 -2.371 1.00 0.43 C ATOM 0 H ALA A 53 -6.172 1.984 -1.610 1.00 0.52 H new ATOM 0 HA ALA A 53 -6.026 3.799 -3.787 1.00 0.49 H new ATOM 0 HB1 ALA A 53 -3.735 4.141 -2.930 1.00 0.43 H new ATOM 0 HB2 ALA A 53 -4.934 4.148 -1.615 1.00 0.43 H new ATOM 0 HB3 ALA A 53 -3.918 2.712 -1.885 1.00 0.43 H new ATOM 828 N GLY A 54 -4.482 0.919 -4.115 1.00 0.57 N ATOM 829 CA GLY A 54 -3.885 0.032 -5.097 1.00 0.64 C ATOM 830 C GLY A 54 -4.758 -0.129 -6.323 1.00 0.74 C ATOM 831 O GLY A 54 -4.269 -0.094 -7.448 1.00 0.82 O ATOM 0 H GLY A 54 -4.610 0.505 -3.192 1.00 0.57 H new ATOM 0 HA2 GLY A 54 -2.912 0.423 -5.394 1.00 0.64 H new ATOM 0 HA3 GLY A 54 -3.712 -0.945 -4.645 1.00 0.64 H new ATOM 835 N ASP A 55 -6.061 -0.272 -6.099 1.00 0.79 N ATOM 836 CA ASP A 55 -7.020 -0.402 -7.196 1.00 0.92 C ATOM 837 C ASP A 55 -6.965 0.813 -8.108 1.00 0.88 C ATOM 838 O ASP A 55 -7.112 0.700 -9.326 1.00 0.97 O ATOM 839 CB ASP A 55 -8.445 -0.576 -6.659 1.00 1.04 C ATOM 840 CG ASP A 55 -8.773 -2.012 -6.313 1.00 1.12 C ATOM 841 OD1 ASP A 55 -8.242 -2.515 -5.300 1.00 1.34 O ATOM 842 OD2 ASP A 55 -9.549 -2.650 -7.052 1.00 1.29 O ATOM 0 H ASP A 55 -6.479 -0.301 -5.169 1.00 0.79 H new ATOM 0 HA ASP A 55 -6.748 -1.289 -7.769 1.00 0.92 H new ATOM 0 HB2 ASP A 55 -8.572 0.044 -5.772 1.00 1.04 H new ATOM 0 HB3 ASP A 55 -9.155 -0.216 -7.404 1.00 1.04 H new ATOM 847 N GLU A 56 -6.736 1.973 -7.510 1.00 0.79 N ATOM 848 CA GLU A 56 -6.652 3.214 -8.260 1.00 0.83 C ATOM 849 C GLU A 56 -5.352 3.252 -9.063 1.00 0.78 C ATOM 850 O GLU A 56 -5.353 3.584 -10.249 1.00 0.85 O ATOM 851 CB GLU A 56 -6.731 4.413 -7.306 1.00 0.83 C ATOM 852 CG GLU A 56 -6.909 5.751 -8.007 1.00 0.94 C ATOM 853 CD GLU A 56 -8.215 5.837 -8.766 1.00 1.27 C ATOM 854 OE1 GLU A 56 -9.286 5.826 -8.123 1.00 1.38 O ATOM 855 OE2 GLU A 56 -8.186 5.905 -10.008 1.00 2.06 O ATOM 0 H GLU A 56 -6.605 2.079 -6.504 1.00 0.79 H new ATOM 0 HA GLU A 56 -7.491 3.268 -8.954 1.00 0.83 H new ATOM 0 HB2 GLU A 56 -7.562 4.262 -6.617 1.00 0.83 H new ATOM 0 HB3 GLU A 56 -5.822 4.447 -6.706 1.00 0.83 H new ATOM 0 HG2 GLU A 56 -6.867 6.553 -7.269 1.00 0.94 H new ATOM 0 HG3 GLU A 56 -6.080 5.909 -8.697 1.00 0.94 H new ATOM 862 N PHE A 57 -4.251 2.871 -8.422 1.00 0.72 N ATOM 863 CA PHE A 57 -2.940 2.916 -9.062 1.00 0.76 C ATOM 864 C PHE A 57 -2.854 1.909 -10.210 1.00 0.82 C ATOM 865 O PHE A 57 -2.306 2.214 -11.270 1.00 0.90 O ATOM 866 CB PHE A 57 -1.824 2.656 -8.041 1.00 0.77 C ATOM 867 CG PHE A 57 -0.443 2.737 -8.635 1.00 0.94 C ATOM 868 CD1 PHE A 57 0.099 3.958 -9.008 1.00 1.07 C ATOM 869 CD2 PHE A 57 0.320 1.592 -8.809 1.00 1.05 C ATOM 870 CE1 PHE A 57 1.371 4.033 -9.543 1.00 1.26 C ATOM 871 CE2 PHE A 57 1.594 1.662 -9.343 1.00 1.25 C ATOM 872 CZ PHE A 57 2.098 2.890 -9.758 1.00 1.34 C ATOM 0 H PHE A 57 -4.240 2.528 -7.461 1.00 0.72 H new ATOM 0 HA PHE A 57 -2.806 3.916 -9.473 1.00 0.76 H new ATOM 0 HB2 PHE A 57 -1.906 3.380 -7.231 1.00 0.77 H new ATOM 0 HB3 PHE A 57 -1.966 1.669 -7.602 1.00 0.77 H new ATOM 0 HD1 PHE A 57 -0.480 4.861 -8.879 1.00 1.07 H new ATOM 0 HD2 PHE A 57 -0.086 0.633 -8.524 1.00 1.05 H new ATOM 0 HE1 PHE A 57 1.794 4.995 -9.793 1.00 1.26 H new ATOM 0 HE2 PHE A 57 2.194 0.769 -9.437 1.00 1.25 H new ATOM 0 HZ PHE A 57 3.059 2.943 -10.248 1.00 1.34 H new ATOM 882 N GLU A 58 -3.415 0.722 -10.004 1.00 0.83 N ATOM 883 CA GLU A 58 -3.378 -0.334 -11.012 1.00 0.95 C ATOM 884 C GLU A 58 -4.195 0.051 -12.238 1.00 0.99 C ATOM 885 O GLU A 58 -3.835 -0.274 -13.369 1.00 1.08 O ATOM 886 CB GLU A 58 -3.922 -1.646 -10.438 1.00 1.05 C ATOM 887 CG GLU A 58 -3.067 -2.236 -9.329 1.00 1.35 C ATOM 888 CD GLU A 58 -1.657 -2.530 -9.784 1.00 1.27 C ATOM 889 OE1 GLU A 58 -1.453 -3.542 -10.486 1.00 1.61 O ATOM 890 OE2 GLU A 58 -0.743 -1.752 -9.437 1.00 1.45 O ATOM 0 H GLU A 58 -3.902 0.466 -9.145 1.00 0.83 H new ATOM 0 HA GLU A 58 -2.337 -0.470 -11.307 1.00 0.95 H new ATOM 0 HB2 GLU A 58 -4.928 -1.474 -10.055 1.00 1.05 H new ATOM 0 HB3 GLU A 58 -4.008 -2.375 -11.244 1.00 1.05 H new ATOM 0 HG2 GLU A 58 -3.038 -1.543 -8.489 1.00 1.35 H new ATOM 0 HG3 GLU A 58 -3.529 -3.155 -8.968 1.00 1.35 H new ATOM 897 N LEU A 59 -5.296 0.747 -12.009 1.00 0.98 N ATOM 898 CA LEU A 59 -6.214 1.080 -13.082 1.00 1.10 C ATOM 899 C LEU A 59 -5.745 2.312 -13.854 1.00 1.10 C ATOM 900 O LEU A 59 -6.030 2.455 -15.042 1.00 1.24 O ATOM 901 CB LEU A 59 -7.616 1.307 -12.515 1.00 1.19 C ATOM 902 CG LEU A 59 -8.728 1.443 -13.557 1.00 1.36 C ATOM 903 CD1 LEU A 59 -8.765 0.220 -14.456 1.00 1.59 C ATOM 904 CD2 LEU A 59 -10.069 1.638 -12.874 1.00 1.56 C ATOM 0 H LEU A 59 -5.575 1.092 -11.090 1.00 0.98 H new ATOM 0 HA LEU A 59 -6.240 0.243 -13.780 1.00 1.10 H new ATOM 0 HB2 LEU A 59 -7.861 0.477 -11.852 1.00 1.19 H new ATOM 0 HB3 LEU A 59 -7.601 2.209 -11.904 1.00 1.19 H new ATOM 0 HG LEU A 59 -8.521 2.318 -14.173 1.00 1.36 H new ATOM 0 HD11 LEU A 59 -9.562 0.333 -15.191 1.00 1.59 H new ATOM 0 HD12 LEU A 59 -7.809 0.117 -14.969 1.00 1.59 H new ATOM 0 HD13 LEU A 59 -8.951 -0.669 -13.853 1.00 1.59 H new ATOM 0 HD21 LEU A 59 -10.851 1.733 -13.628 1.00 1.56 H new ATOM 0 HD22 LEU A 59 -10.281 0.779 -12.237 1.00 1.56 H new ATOM 0 HD23 LEU A 59 -10.039 2.542 -12.266 1.00 1.56 H new ATOM 916 N ARG A 60 -5.002 3.184 -13.189 1.00 1.00 N ATOM 917 CA ARG A 60 -4.601 4.448 -13.801 1.00 1.06 C ATOM 918 C ARG A 60 -3.173 4.404 -14.341 1.00 1.00 C ATOM 919 O ARG A 60 -2.894 4.952 -15.408 1.00 1.07 O ATOM 920 CB ARG A 60 -4.732 5.609 -12.805 1.00 1.10 C ATOM 921 CG ARG A 60 -6.152 5.862 -12.315 1.00 1.19 C ATOM 922 CD ARG A 60 -7.127 6.089 -13.463 1.00 1.31 C ATOM 923 NE ARG A 60 -6.805 7.286 -14.236 1.00 1.81 N ATOM 924 CZ ARG A 60 -7.591 7.790 -15.185 1.00 2.26 C ATOM 925 NH1 ARG A 60 -8.754 7.213 -15.468 1.00 2.15 N ATOM 926 NH2 ARG A 60 -7.218 8.877 -15.849 1.00 3.21 N ATOM 0 H ARG A 60 -4.666 3.045 -12.236 1.00 1.00 H new ATOM 0 HA ARG A 60 -5.277 4.610 -14.641 1.00 1.06 H new ATOM 0 HB2 ARG A 60 -4.095 5.407 -11.944 1.00 1.10 H new ATOM 0 HB3 ARG A 60 -4.355 6.518 -13.274 1.00 1.10 H new ATOM 0 HG2 ARG A 60 -6.486 5.012 -11.720 1.00 1.19 H new ATOM 0 HG3 ARG A 60 -6.158 6.732 -11.659 1.00 1.19 H new ATOM 0 HD2 ARG A 60 -7.118 5.221 -14.122 1.00 1.31 H new ATOM 0 HD3 ARG A 60 -8.138 6.177 -13.066 1.00 1.31 H new ATOM 0 HE ARG A 60 -5.926 7.764 -14.037 1.00 1.81 H new ATOM 0 HH11 ARG A 60 -9.048 6.380 -14.957 1.00 2.15 H new ATOM 0 HH12 ARG A 60 -9.353 7.603 -16.196 1.00 2.15 H new ATOM 0 HH21 ARG A 60 -6.329 9.327 -15.632 1.00 3.21 H new ATOM 0 HH22 ARG A 60 -7.821 9.262 -16.576 1.00 3.21 H new ATOM 940 N TYR A 61 -2.273 3.744 -13.621 1.00 0.91 N ATOM 941 CA TYR A 61 -0.854 3.804 -13.951 1.00 0.90 C ATOM 942 C TYR A 61 -0.243 2.412 -14.084 1.00 0.84 C ATOM 943 O TYR A 61 0.887 2.182 -13.649 1.00 0.83 O ATOM 944 CB TYR A 61 -0.094 4.597 -12.881 1.00 0.96 C ATOM 945 CG TYR A 61 -0.509 6.049 -12.773 1.00 1.05 C ATOM 946 CD1 TYR A 61 -0.202 6.954 -13.781 1.00 1.27 C ATOM 947 CD2 TYR A 61 -1.198 6.516 -11.660 1.00 1.04 C ATOM 948 CE1 TYR A 61 -0.572 8.281 -13.683 1.00 1.38 C ATOM 949 CE2 TYR A 61 -1.573 7.843 -11.557 1.00 1.14 C ATOM 950 CZ TYR A 61 -1.256 8.720 -12.572 1.00 1.27 C ATOM 951 OH TYR A 61 -1.623 10.042 -12.476 1.00 1.41 O ATOM 0 H TYR A 61 -2.498 3.166 -12.811 1.00 0.91 H new ATOM 0 HA TYR A 61 -0.765 4.306 -14.914 1.00 0.90 H new ATOM 0 HB2 TYR A 61 -0.242 4.116 -11.914 1.00 0.96 H new ATOM 0 HB3 TYR A 61 0.973 4.551 -13.100 1.00 0.96 H new ATOM 0 HD1 TYR A 61 0.334 6.615 -14.655 1.00 1.27 H new ATOM 0 HD2 TYR A 61 -1.445 5.831 -10.862 1.00 1.04 H new ATOM 0 HE1 TYR A 61 -0.325 8.972 -14.475 1.00 1.38 H new ATOM 0 HE2 TYR A 61 -2.111 8.190 -10.687 1.00 1.14 H new ATOM 0 HH TYR A 61 -2.099 10.189 -11.632 1.00 1.41 H new ATOM 961 N ARG A 62 -0.973 1.494 -14.709 1.00 0.86 N ATOM 962 CA ARG A 62 -0.473 0.132 -14.907 1.00 0.85 C ATOM 963 C ARG A 62 0.779 0.143 -15.783 1.00 0.87 C ATOM 964 O ARG A 62 1.736 -0.594 -15.530 1.00 0.85 O ATOM 965 CB ARG A 62 -1.545 -0.745 -15.555 1.00 0.95 C ATOM 966 CG ARG A 62 -1.173 -2.219 -15.627 1.00 1.04 C ATOM 967 CD ARG A 62 -2.088 -2.976 -16.576 1.00 1.23 C ATOM 968 NE ARG A 62 -1.950 -2.500 -17.952 1.00 1.73 N ATOM 969 CZ ARG A 62 -2.944 -1.973 -18.667 1.00 2.16 C ATOM 970 NH1 ARG A 62 -4.149 -1.819 -18.129 1.00 2.24 N ATOM 971 NH2 ARG A 62 -2.728 -1.583 -19.916 1.00 3.02 N ATOM 0 H ARG A 62 -1.906 1.663 -15.086 1.00 0.86 H new ATOM 0 HA ARG A 62 -0.220 -0.280 -13.930 1.00 0.85 H new ATOM 0 HB2 ARG A 62 -2.474 -0.641 -14.994 1.00 0.95 H new ATOM 0 HB3 ARG A 62 -1.739 -0.379 -16.563 1.00 0.95 H new ATOM 0 HG2 ARG A 62 -0.139 -2.319 -15.958 1.00 1.04 H new ATOM 0 HG3 ARG A 62 -1.233 -2.660 -14.632 1.00 1.04 H new ATOM 0 HD2 ARG A 62 -1.857 -4.040 -16.534 1.00 1.23 H new ATOM 0 HD3 ARG A 62 -3.123 -2.862 -16.253 1.00 1.23 H new ATOM 0 HE ARG A 62 -1.034 -2.576 -18.393 1.00 1.73 H new ATOM 0 HH11 ARG A 62 -4.317 -2.105 -17.164 1.00 2.24 H new ATOM 0 HH12 ARG A 62 -4.906 -1.415 -18.681 1.00 2.24 H new ATOM 0 HH21 ARG A 62 -1.801 -1.686 -20.330 1.00 3.02 H new ATOM 0 HH22 ARG A 62 -3.489 -1.180 -20.463 1.00 3.02 H new ATOM 985 N ARG A 63 0.765 0.988 -16.809 1.00 0.94 N ATOM 986 CA ARG A 63 1.892 1.104 -17.727 1.00 1.01 C ATOM 987 C ARG A 63 3.077 1.784 -17.046 1.00 0.95 C ATOM 988 O ARG A 63 4.221 1.349 -17.199 1.00 0.99 O ATOM 989 CB ARG A 63 1.480 1.891 -18.977 1.00 1.16 C ATOM 990 CG ARG A 63 2.624 2.135 -19.955 1.00 1.70 C ATOM 991 CD ARG A 63 2.186 2.997 -21.128 1.00 2.14 C ATOM 992 NE ARG A 63 1.620 4.272 -20.691 1.00 2.71 N ATOM 993 CZ ARG A 63 0.934 5.090 -21.487 1.00 3.58 C ATOM 994 NH1 ARG A 63 0.744 4.770 -22.761 1.00 3.92 N ATOM 995 NH2 ARG A 63 0.436 6.223 -21.007 1.00 4.52 N ATOM 0 H ARG A 63 -0.018 1.605 -17.026 1.00 0.94 H new ATOM 0 HA ARG A 63 2.195 0.100 -18.025 1.00 1.01 H new ATOM 0 HB2 ARG A 63 0.685 1.350 -19.490 1.00 1.16 H new ATOM 0 HB3 ARG A 63 1.066 2.851 -18.670 1.00 1.16 H new ATOM 0 HG2 ARG A 63 3.450 2.620 -19.435 1.00 1.70 H new ATOM 0 HG3 ARG A 63 2.997 1.180 -20.324 1.00 1.70 H new ATOM 0 HD2 ARG A 63 3.040 3.184 -21.779 1.00 2.14 H new ATOM 0 HD3 ARG A 63 1.447 2.456 -21.719 1.00 2.14 H new ATOM 0 HE ARG A 63 1.759 4.551 -19.720 1.00 2.71 H new ATOM 0 HH11 ARG A 63 1.123 3.898 -23.130 1.00 3.92 H new ATOM 0 HH12 ARG A 63 0.219 5.396 -23.371 1.00 3.92 H new ATOM 0 HH21 ARG A 63 0.579 6.468 -20.027 1.00 4.52 H new ATOM 0 HH22 ARG A 63 -0.089 6.849 -21.618 1.00 4.52 H new ATOM 1009 N ALA A 64 2.798 2.844 -16.289 1.00 0.90 N ATOM 1010 CA ALA A 64 3.840 3.585 -15.588 1.00 0.89 C ATOM 1011 C ALA A 64 4.562 2.684 -14.600 1.00 0.75 C ATOM 1012 O ALA A 64 5.773 2.797 -14.406 1.00 0.73 O ATOM 1013 CB ALA A 64 3.249 4.786 -14.869 1.00 0.94 C ATOM 0 H ALA A 64 1.856 3.208 -16.147 1.00 0.90 H new ATOM 0 HA ALA A 64 4.560 3.941 -16.325 1.00 0.89 H new ATOM 0 HB1 ALA A 64 4.042 5.327 -14.352 1.00 0.94 H new ATOM 0 HB2 ALA A 64 2.773 5.446 -15.594 1.00 0.94 H new ATOM 0 HB3 ALA A 64 2.508 4.448 -14.145 1.00 0.94 H new ATOM 1019 N PHE A 65 3.796 1.789 -13.985 1.00 0.69 N ATOM 1020 CA PHE A 65 4.341 0.801 -13.064 1.00 0.61 C ATOM 1021 C PHE A 65 5.471 0.025 -13.731 1.00 0.59 C ATOM 1022 O PHE A 65 6.578 -0.038 -13.203 1.00 0.59 O ATOM 1023 CB PHE A 65 3.239 -0.162 -12.605 1.00 0.62 C ATOM 1024 CG PHE A 65 3.683 -1.140 -11.554 1.00 0.59 C ATOM 1025 CD1 PHE A 65 3.784 -0.758 -10.224 1.00 0.60 C ATOM 1026 CD2 PHE A 65 4.007 -2.438 -11.900 1.00 0.64 C ATOM 1027 CE1 PHE A 65 4.199 -1.657 -9.263 1.00 0.64 C ATOM 1028 CE2 PHE A 65 4.424 -3.341 -10.943 1.00 0.68 C ATOM 1029 CZ PHE A 65 4.488 -2.942 -9.601 1.00 0.66 C ATOM 0 H PHE A 65 2.786 1.729 -14.111 1.00 0.69 H new ATOM 0 HA PHE A 65 4.739 1.320 -12.192 1.00 0.61 H new ATOM 0 HB2 PHE A 65 2.402 0.418 -12.217 1.00 0.62 H new ATOM 0 HB3 PHE A 65 2.870 -0.715 -13.469 1.00 0.62 H new ATOM 0 HD1 PHE A 65 3.535 0.253 -9.938 1.00 0.60 H new ATOM 0 HD2 PHE A 65 3.933 -2.750 -12.931 1.00 0.64 H new ATOM 0 HE1 PHE A 65 4.295 -1.338 -8.236 1.00 0.64 H new ATOM 0 HE2 PHE A 65 4.699 -4.346 -11.226 1.00 0.68 H new ATOM 0 HZ PHE A 65 4.766 -3.653 -8.837 1.00 0.66 H new ATOM 1039 N SER A 66 5.185 -0.524 -14.909 1.00 0.64 N ATOM 1040 CA SER A 66 6.148 -1.336 -15.648 1.00 0.68 C ATOM 1041 C SER A 66 7.452 -0.579 -15.892 1.00 0.66 C ATOM 1042 O SER A 66 8.539 -1.125 -15.703 1.00 0.68 O ATOM 1043 CB SER A 66 5.545 -1.768 -16.985 1.00 0.83 C ATOM 1044 OG SER A 66 4.263 -2.345 -16.801 1.00 1.20 O ATOM 0 H SER A 66 4.284 -0.419 -15.376 1.00 0.64 H new ATOM 0 HA SER A 66 6.377 -2.215 -15.045 1.00 0.68 H new ATOM 0 HB2 SER A 66 5.468 -0.907 -17.649 1.00 0.83 H new ATOM 0 HB3 SER A 66 6.205 -2.487 -17.470 1.00 0.83 H new ATOM 0 HG SER A 66 3.897 -2.612 -17.670 1.00 1.20 H new ATOM 1050 N ASP A 67 7.343 0.678 -16.307 1.00 0.68 N ATOM 1051 CA ASP A 67 8.528 1.485 -16.594 1.00 0.73 C ATOM 1052 C ASP A 67 9.330 1.747 -15.327 1.00 0.65 C ATOM 1053 O ASP A 67 10.556 1.609 -15.318 1.00 0.66 O ATOM 1054 CB ASP A 67 8.158 2.816 -17.260 1.00 0.89 C ATOM 1055 CG ASP A 67 7.688 2.640 -18.686 1.00 1.36 C ATOM 1056 OD1 ASP A 67 8.503 2.253 -19.548 1.00 1.41 O ATOM 1057 OD2 ASP A 67 6.493 2.884 -18.955 1.00 2.06 O ATOM 0 H ASP A 67 6.455 1.159 -16.452 1.00 0.68 H new ATOM 0 HA ASP A 67 9.142 0.914 -17.290 1.00 0.73 H new ATOM 0 HB2 ASP A 67 7.374 3.303 -16.680 1.00 0.89 H new ATOM 0 HB3 ASP A 67 9.023 3.479 -17.245 1.00 0.89 H new ATOM 1062 N LEU A 68 8.641 2.099 -14.253 1.00 0.63 N ATOM 1063 CA LEU A 68 9.308 2.441 -13.007 1.00 0.66 C ATOM 1064 C LEU A 68 9.924 1.208 -12.349 1.00 0.57 C ATOM 1065 O LEU A 68 11.013 1.287 -11.784 1.00 0.63 O ATOM 1066 CB LEU A 68 8.335 3.144 -12.057 1.00 0.75 C ATOM 1067 CG LEU A 68 7.843 4.514 -12.539 1.00 0.81 C ATOM 1068 CD1 LEU A 68 6.860 5.113 -11.545 1.00 1.64 C ATOM 1069 CD2 LEU A 68 9.017 5.458 -12.762 1.00 1.07 C ATOM 0 H LEU A 68 7.623 2.155 -14.219 1.00 0.63 H new ATOM 0 HA LEU A 68 10.122 3.128 -13.236 1.00 0.66 H new ATOM 0 HB2 LEU A 68 7.471 2.498 -11.901 1.00 0.75 H new ATOM 0 HB3 LEU A 68 8.820 3.268 -11.089 1.00 0.75 H new ATOM 0 HG LEU A 68 7.328 4.375 -13.489 1.00 0.81 H new ATOM 0 HD11 LEU A 68 6.524 6.085 -11.907 1.00 1.64 H new ATOM 0 HD12 LEU A 68 6.002 4.449 -11.437 1.00 1.64 H new ATOM 0 HD13 LEU A 68 7.349 5.235 -10.578 1.00 1.64 H new ATOM 0 HD21 LEU A 68 8.647 6.425 -13.104 1.00 1.07 H new ATOM 0 HD22 LEU A 68 9.562 5.588 -11.827 1.00 1.07 H new ATOM 0 HD23 LEU A 68 9.684 5.038 -13.515 1.00 1.07 H new ATOM 1081 N THR A 69 9.252 0.066 -12.447 1.00 0.49 N ATOM 1082 CA THR A 69 9.769 -1.164 -11.859 1.00 0.49 C ATOM 1083 C THR A 69 10.849 -1.786 -12.734 1.00 0.46 C ATOM 1084 O THR A 69 11.632 -2.614 -12.271 1.00 0.51 O ATOM 1085 CB THR A 69 8.659 -2.196 -11.609 1.00 0.51 C ATOM 1086 OG1 THR A 69 7.941 -2.456 -12.820 1.00 0.71 O ATOM 1087 CG2 THR A 69 7.706 -1.709 -10.532 1.00 0.63 C ATOM 0 H THR A 69 8.356 -0.034 -12.924 1.00 0.49 H new ATOM 0 HA THR A 69 10.203 -0.885 -10.899 1.00 0.49 H new ATOM 0 HB THR A 69 9.123 -3.121 -11.268 1.00 0.51 H new ATOM 0 HG1 THR A 69 7.364 -1.692 -13.029 1.00 0.71 H new ATOM 0 HG21 THR A 69 6.928 -2.455 -10.371 1.00 0.63 H new ATOM 0 HG22 THR A 69 8.256 -1.551 -9.604 1.00 0.63 H new ATOM 0 HG23 THR A 69 7.250 -0.771 -10.847 1.00 0.63 H new ATOM 1095 N SER A 70 10.888 -1.389 -13.999 1.00 0.46 N ATOM 1096 CA SER A 70 11.945 -1.832 -14.893 1.00 0.49 C ATOM 1097 C SER A 70 13.229 -1.080 -14.556 1.00 0.48 C ATOM 1098 O SER A 70 14.334 -1.593 -14.729 1.00 0.53 O ATOM 1099 CB SER A 70 11.549 -1.608 -16.360 1.00 0.57 C ATOM 1100 OG SER A 70 12.441 -2.270 -17.240 1.00 1.31 O ATOM 0 H SER A 70 10.203 -0.765 -14.426 1.00 0.46 H new ATOM 0 HA SER A 70 12.108 -2.901 -14.758 1.00 0.49 H new ATOM 0 HB2 SER A 70 10.535 -1.972 -16.525 1.00 0.57 H new ATOM 0 HB3 SER A 70 11.544 -0.540 -16.579 1.00 0.57 H new ATOM 0 HG SER A 70 12.164 -2.112 -18.167 1.00 1.31 H new ATOM 1106 N GLN A 71 13.065 0.136 -14.048 1.00 0.49 N ATOM 1107 CA GLN A 71 14.188 0.937 -13.585 1.00 0.53 C ATOM 1108 C GLN A 71 14.576 0.520 -12.169 1.00 0.46 C ATOM 1109 O GLN A 71 15.751 0.497 -11.807 1.00 0.53 O ATOM 1110 CB GLN A 71 13.822 2.426 -13.622 1.00 0.63 C ATOM 1111 CG GLN A 71 14.895 3.342 -13.058 1.00 0.69 C ATOM 1112 CD GLN A 71 14.528 4.811 -13.155 1.00 0.83 C ATOM 1113 OE1 GLN A 71 15.398 5.670 -13.277 1.00 1.22 O ATOM 1114 NE2 GLN A 71 13.239 5.116 -13.098 1.00 0.82 N ATOM 0 H GLN A 71 12.157 0.590 -13.947 1.00 0.49 H new ATOM 0 HA GLN A 71 15.040 0.771 -14.244 1.00 0.53 H new ATOM 0 HB2 GLN A 71 13.619 2.714 -14.654 1.00 0.63 H new ATOM 0 HB3 GLN A 71 12.899 2.577 -13.062 1.00 0.63 H new ATOM 0 HG2 GLN A 71 15.073 3.085 -12.014 1.00 0.69 H new ATOM 0 HG3 GLN A 71 15.830 3.170 -13.592 1.00 0.69 H new ATOM 0 HE21 GLN A 71 12.544 4.376 -12.996 1.00 0.82 H new ATOM 0 HE22 GLN A 71 12.942 6.090 -13.156 1.00 0.82 H new ATOM 1123 N LEU A 72 13.571 0.161 -11.383 1.00 0.39 N ATOM 1124 CA LEU A 72 13.783 -0.260 -10.003 1.00 0.33 C ATOM 1125 C LEU A 72 14.066 -1.761 -9.950 1.00 0.34 C ATOM 1126 O LEU A 72 14.106 -2.357 -8.879 1.00 0.37 O ATOM 1127 CB LEU A 72 12.549 0.093 -9.155 1.00 0.37 C ATOM 1128 CG LEU A 72 12.705 -0.080 -7.643 1.00 0.46 C ATOM 1129 CD1 LEU A 72 13.921 0.678 -7.138 1.00 0.96 C ATOM 1130 CD2 LEU A 72 11.451 0.398 -6.929 1.00 0.92 C ATOM 0 H LEU A 72 12.595 0.153 -11.679 1.00 0.39 H new ATOM 0 HA LEU A 72 14.646 0.265 -9.595 1.00 0.33 H new ATOM 0 HB2 LEU A 72 12.278 1.129 -9.356 1.00 0.37 H new ATOM 0 HB3 LEU A 72 11.715 -0.525 -9.488 1.00 0.37 H new ATOM 0 HG LEU A 72 12.850 -1.139 -7.430 1.00 0.46 H new ATOM 0 HD11 LEU A 72 14.013 0.541 -6.061 1.00 0.96 H new ATOM 0 HD12 LEU A 72 14.817 0.298 -7.630 1.00 0.96 H new ATOM 0 HD13 LEU A 72 13.807 1.739 -7.361 1.00 0.96 H new ATOM 0 HD21 LEU A 72 11.574 0.270 -5.853 1.00 0.92 H new ATOM 0 HD22 LEU A 72 11.284 1.452 -7.152 1.00 0.92 H new ATOM 0 HD23 LEU A 72 10.595 -0.185 -7.268 1.00 0.92 H new ATOM 1142 N HIS A 73 14.282 -2.349 -11.123 1.00 0.41 N ATOM 1143 CA HIS A 73 14.558 -3.778 -11.249 1.00 0.46 C ATOM 1144 C HIS A 73 15.720 -4.184 -10.343 1.00 0.41 C ATOM 1145 O HIS A 73 16.835 -3.672 -10.475 1.00 0.45 O ATOM 1146 CB HIS A 73 14.873 -4.112 -12.713 1.00 0.60 C ATOM 1147 CG HIS A 73 15.156 -5.560 -12.977 1.00 1.34 C ATOM 1148 ND1 HIS A 73 14.608 -6.592 -12.246 1.00 2.07 N ATOM 1149 CD2 HIS A 73 15.936 -6.144 -13.914 1.00 2.33 C ATOM 1150 CE1 HIS A 73 15.040 -7.739 -12.723 1.00 2.86 C ATOM 1151 NE2 HIS A 73 15.848 -7.501 -13.738 1.00 3.01 N ATOM 0 H HIS A 73 14.271 -1.850 -12.012 1.00 0.41 H new ATOM 0 HA HIS A 73 13.677 -4.339 -10.937 1.00 0.46 H new ATOM 0 HB2 HIS A 73 14.031 -3.801 -13.332 1.00 0.60 H new ATOM 0 HB3 HIS A 73 15.735 -3.524 -13.029 1.00 0.60 H new ATOM 0 HD1 HIS A 73 13.968 -6.483 -11.459 1.00 2.07 H new ATOM 0 HD2 HIS A 73 16.522 -5.634 -14.665 1.00 2.33 H new ATOM 0 HE1 HIS A 73 14.776 -8.716 -12.345 1.00 2.86 H new ATOM 1160 N ILE A 74 15.449 -5.097 -9.421 1.00 0.37 N ATOM 1161 CA ILE A 74 16.440 -5.504 -8.443 1.00 0.36 C ATOM 1162 C ILE A 74 17.284 -6.666 -8.974 1.00 0.45 C ATOM 1163 O ILE A 74 16.757 -7.650 -9.500 1.00 0.61 O ATOM 1164 CB ILE A 74 15.761 -5.892 -7.103 1.00 0.31 C ATOM 1165 CG1 ILE A 74 16.809 -6.164 -6.023 1.00 0.31 C ATOM 1166 CG2 ILE A 74 14.854 -7.102 -7.279 1.00 0.35 C ATOM 1167 CD1 ILE A 74 16.216 -6.377 -4.652 1.00 0.34 C ATOM 0 H ILE A 74 14.549 -5.569 -9.332 1.00 0.37 H new ATOM 0 HA ILE A 74 17.102 -4.658 -8.260 1.00 0.36 H new ATOM 0 HB ILE A 74 15.147 -5.050 -6.785 1.00 0.31 H new ATOM 0 HG12 ILE A 74 17.387 -7.045 -6.302 1.00 0.31 H new ATOM 0 HG13 ILE A 74 17.505 -5.326 -5.983 1.00 0.31 H new ATOM 0 HG21 ILE A 74 14.391 -7.352 -6.324 1.00 0.35 H new ATOM 0 HG22 ILE A 74 14.078 -6.872 -8.009 1.00 0.35 H new ATOM 0 HG23 ILE A 74 15.442 -7.950 -7.630 1.00 0.35 H new ATOM 0 HD11 ILE A 74 17.015 -6.565 -3.935 1.00 0.34 H new ATOM 0 HD12 ILE A 74 15.662 -5.487 -4.353 1.00 0.34 H new ATOM 0 HD13 ILE A 74 15.542 -7.233 -4.676 1.00 0.34 H new ATOM 1179 N THR A 75 18.597 -6.520 -8.889 1.00 0.61 N ATOM 1180 CA THR A 75 19.515 -7.567 -9.299 1.00 0.73 C ATOM 1181 C THR A 75 20.565 -7.794 -8.211 1.00 0.58 C ATOM 1182 O THR A 75 20.738 -6.940 -7.338 1.00 0.57 O ATOM 1183 CB THR A 75 20.209 -7.207 -10.632 1.00 1.02 C ATOM 1184 OG1 THR A 75 20.799 -5.903 -10.542 1.00 1.38 O ATOM 1185 CG2 THR A 75 19.224 -7.243 -11.790 1.00 1.56 C ATOM 0 H THR A 75 19.052 -5.678 -8.536 1.00 0.61 H new ATOM 0 HA THR A 75 18.943 -8.483 -9.448 1.00 0.73 H new ATOM 0 HB THR A 75 20.987 -7.948 -10.818 1.00 1.02 H new ATOM 0 HG1 THR A 75 20.587 -5.507 -9.671 1.00 1.38 H new ATOM 0 HG21 THR A 75 19.740 -6.986 -12.715 1.00 1.56 H new ATOM 0 HG22 THR A 75 18.801 -8.244 -11.877 1.00 1.56 H new ATOM 0 HG23 THR A 75 18.424 -6.525 -11.609 1.00 1.56 H new ATOM 1193 N PRO A 76 21.274 -8.937 -8.233 1.00 0.66 N ATOM 1194 CA PRO A 76 22.307 -9.240 -7.235 1.00 0.73 C ATOM 1195 C PRO A 76 23.414 -8.187 -7.220 1.00 0.72 C ATOM 1196 O PRO A 76 24.189 -8.070 -8.174 1.00 0.81 O ATOM 1197 CB PRO A 76 22.862 -10.603 -7.675 1.00 0.93 C ATOM 1198 CG PRO A 76 22.426 -10.769 -9.093 1.00 1.06 C ATOM 1199 CD PRO A 76 21.130 -10.021 -9.219 1.00 0.90 C ATOM 0 HA PRO A 76 21.903 -9.249 -6.223 1.00 0.73 H new ATOM 0 HB2 PRO A 76 23.949 -10.630 -7.592 1.00 0.93 H new ATOM 0 HB3 PRO A 76 22.474 -11.406 -7.048 1.00 0.93 H new ATOM 0 HG2 PRO A 76 23.174 -10.372 -9.780 1.00 1.06 H new ATOM 0 HG3 PRO A 76 22.294 -11.822 -9.340 1.00 1.06 H new ATOM 0 HD2 PRO A 76 20.985 -9.633 -10.227 1.00 0.90 H new ATOM 0 HD3 PRO A 76 20.274 -10.658 -8.996 1.00 0.90 H new ATOM 1207 N GLY A 77 23.469 -7.411 -6.144 1.00 0.86 N ATOM 1208 CA GLY A 77 24.440 -6.339 -6.047 1.00 1.10 C ATOM 1209 C GLY A 77 23.782 -4.972 -6.055 1.00 1.00 C ATOM 1210 O GLY A 77 24.433 -3.957 -6.314 1.00 1.32 O ATOM 0 H GLY A 77 22.856 -7.506 -5.334 1.00 0.86 H new ATOM 0 HA2 GLY A 77 25.019 -6.457 -5.131 1.00 1.10 H new ATOM 0 HA3 GLY A 77 25.141 -6.409 -6.879 1.00 1.10 H new ATOM 1214 N THR A 78 22.488 -4.948 -5.771 1.00 0.85 N ATOM 1215 CA THR A 78 21.729 -3.706 -5.730 1.00 0.82 C ATOM 1216 C THR A 78 21.373 -3.357 -4.289 1.00 0.85 C ATOM 1217 O THR A 78 20.593 -4.059 -3.650 1.00 1.52 O ATOM 1218 CB THR A 78 20.432 -3.829 -6.556 1.00 0.90 C ATOM 1219 OG1 THR A 78 20.738 -4.298 -7.876 1.00 1.52 O ATOM 1220 CG2 THR A 78 19.713 -2.491 -6.648 1.00 1.15 C ATOM 0 H THR A 78 21.938 -5.782 -5.564 1.00 0.85 H new ATOM 0 HA THR A 78 22.349 -2.918 -6.157 1.00 0.82 H new ATOM 0 HB THR A 78 19.777 -4.541 -6.054 1.00 0.90 H new ATOM 0 HG1 THR A 78 21.017 -5.237 -7.833 1.00 1.52 H new ATOM 0 HG21 THR A 78 18.802 -2.607 -7.236 1.00 1.15 H new ATOM 0 HG22 THR A 78 19.457 -2.146 -5.646 1.00 1.15 H new ATOM 0 HG23 THR A 78 20.364 -1.760 -7.128 1.00 1.15 H new ATOM 1228 N ALA A 79 21.970 -2.296 -3.770 1.00 0.68 N ATOM 1229 CA ALA A 79 21.717 -1.868 -2.403 1.00 0.73 C ATOM 1230 C ALA A 79 20.727 -0.705 -2.376 1.00 0.62 C ATOM 1231 O ALA A 79 20.183 -0.319 -3.416 1.00 0.56 O ATOM 1232 CB ALA A 79 23.023 -1.474 -1.734 1.00 0.85 C ATOM 0 H ALA A 79 22.636 -1.713 -4.277 1.00 0.68 H new ATOM 0 HA ALA A 79 21.276 -2.699 -1.852 1.00 0.73 H new ATOM 0 HB1 ALA A 79 22.826 -1.155 -0.711 1.00 0.85 H new ATOM 0 HB2 ALA A 79 23.699 -2.329 -1.723 1.00 0.85 H new ATOM 0 HB3 ALA A 79 23.483 -0.655 -2.287 1.00 0.85 H new ATOM 1238 N TYR A 80 20.504 -0.138 -1.191 1.00 0.63 N ATOM 1239 CA TYR A 80 19.586 0.993 -1.042 1.00 0.58 C ATOM 1240 C TYR A 80 20.141 2.226 -1.753 1.00 0.50 C ATOM 1241 O TYR A 80 19.397 3.136 -2.112 1.00 0.46 O ATOM 1242 CB TYR A 80 19.322 1.291 0.444 1.00 0.67 C ATOM 1243 CG TYR A 80 18.463 2.516 0.696 1.00 0.80 C ATOM 1244 CD1 TYR A 80 17.125 2.550 0.315 1.00 0.89 C ATOM 1245 CD2 TYR A 80 18.997 3.642 1.310 1.00 1.14 C ATOM 1246 CE1 TYR A 80 16.348 3.673 0.541 1.00 1.24 C ATOM 1247 CE2 TYR A 80 18.227 4.765 1.536 1.00 1.55 C ATOM 1248 CZ TYR A 80 16.905 4.777 1.151 1.00 1.58 C ATOM 1249 OH TYR A 80 16.144 5.903 1.372 1.00 2.03 O ATOM 0 H TYR A 80 20.944 -0.441 -0.322 1.00 0.63 H new ATOM 0 HA TYR A 80 18.636 0.728 -1.505 1.00 0.58 H new ATOM 0 HB2 TYR A 80 18.839 0.425 0.895 1.00 0.67 H new ATOM 0 HB3 TYR A 80 20.278 1.422 0.951 1.00 0.67 H new ATOM 0 HD1 TYR A 80 16.686 1.687 -0.164 1.00 0.89 H new ATOM 0 HD2 TYR A 80 20.033 3.639 1.616 1.00 1.14 H new ATOM 0 HE1 TYR A 80 15.311 3.684 0.241 1.00 1.24 H new ATOM 0 HE2 TYR A 80 18.660 5.632 2.013 1.00 1.55 H new ATOM 0 HH TYR A 80 16.649 6.698 1.101 1.00 2.03 H new ATOM 1259 N GLN A 81 21.448 2.232 -1.983 1.00 0.56 N ATOM 1260 CA GLN A 81 22.103 3.321 -2.695 1.00 0.59 C ATOM 1261 C GLN A 81 21.543 3.440 -4.114 1.00 0.54 C ATOM 1262 O GLN A 81 21.355 4.540 -4.636 1.00 0.63 O ATOM 1263 CB GLN A 81 23.614 3.076 -2.729 1.00 0.72 C ATOM 1264 CG GLN A 81 24.416 4.193 -3.373 1.00 0.84 C ATOM 1265 CD GLN A 81 25.904 3.893 -3.387 1.00 1.40 C ATOM 1266 OE1 GLN A 81 26.625 4.248 -2.455 1.00 2.01 O ATOM 1267 NE2 GLN A 81 26.377 3.230 -4.432 1.00 2.18 N ATOM 0 H GLN A 81 22.079 1.489 -1.684 1.00 0.56 H new ATOM 0 HA GLN A 81 21.909 4.259 -2.174 1.00 0.59 H new ATOM 0 HB2 GLN A 81 23.969 2.932 -1.709 1.00 0.72 H new ATOM 0 HB3 GLN A 81 23.807 2.149 -3.268 1.00 0.72 H new ATOM 0 HG2 GLN A 81 24.068 4.346 -4.395 1.00 0.84 H new ATOM 0 HG3 GLN A 81 24.239 5.123 -2.833 1.00 0.84 H new ATOM 0 HE21 GLN A 81 25.749 2.952 -5.186 1.00 2.18 H new ATOM 0 HE22 GLN A 81 27.369 2.998 -4.482 1.00 2.18 H new ATOM 1276 N SER A 82 21.269 2.300 -4.732 1.00 0.48 N ATOM 1277 CA SER A 82 20.652 2.275 -6.050 1.00 0.47 C ATOM 1278 C SER A 82 19.131 2.367 -5.929 1.00 0.40 C ATOM 1279 O SER A 82 18.461 2.943 -6.789 1.00 0.42 O ATOM 1280 CB SER A 82 21.049 0.999 -6.795 1.00 0.55 C ATOM 1281 OG SER A 82 22.461 0.875 -6.882 1.00 1.17 O ATOM 0 H SER A 82 21.465 1.379 -4.341 1.00 0.48 H new ATOM 0 HA SER A 82 21.007 3.136 -6.616 1.00 0.47 H new ATOM 0 HB2 SER A 82 20.636 0.131 -6.281 1.00 0.55 H new ATOM 0 HB3 SER A 82 20.620 1.011 -7.797 1.00 0.55 H new ATOM 0 HG SER A 82 22.688 0.051 -7.361 1.00 1.17 H new ATOM 1287 N PHE A 83 18.598 1.815 -4.844 1.00 0.36 N ATOM 1288 CA PHE A 83 17.156 1.794 -4.607 1.00 0.33 C ATOM 1289 C PHE A 83 16.613 3.210 -4.388 1.00 0.31 C ATOM 1290 O PHE A 83 15.563 3.570 -4.925 1.00 0.32 O ATOM 1291 CB PHE A 83 16.849 0.899 -3.392 1.00 0.35 C ATOM 1292 CG PHE A 83 15.383 0.714 -3.097 1.00 0.33 C ATOM 1293 CD1 PHE A 83 14.627 -0.207 -3.805 1.00 0.38 C ATOM 1294 CD2 PHE A 83 14.767 1.450 -2.096 1.00 0.32 C ATOM 1295 CE1 PHE A 83 13.286 -0.386 -3.522 1.00 0.41 C ATOM 1296 CE2 PHE A 83 13.426 1.276 -1.812 1.00 0.34 C ATOM 1297 CZ PHE A 83 12.685 0.356 -2.525 1.00 0.38 C ATOM 0 H PHE A 83 19.148 1.372 -4.108 1.00 0.36 H new ATOM 0 HA PHE A 83 16.661 1.385 -5.488 1.00 0.33 H new ATOM 0 HB2 PHE A 83 17.298 -0.080 -3.557 1.00 0.35 H new ATOM 0 HB3 PHE A 83 17.331 1.326 -2.513 1.00 0.35 H new ATOM 0 HD1 PHE A 83 15.091 -0.791 -4.586 1.00 0.38 H new ATOM 0 HD2 PHE A 83 15.343 2.168 -1.531 1.00 0.32 H new ATOM 0 HE1 PHE A 83 12.708 -1.107 -4.081 1.00 0.41 H new ATOM 0 HE2 PHE A 83 12.958 1.859 -1.033 1.00 0.34 H new ATOM 0 HZ PHE A 83 11.637 0.217 -2.304 1.00 0.38 H new ATOM 1307 N GLU A 84 17.345 4.019 -3.626 1.00 0.34 N ATOM 1308 CA GLU A 84 16.889 5.363 -3.284 1.00 0.39 C ATOM 1309 C GLU A 84 16.845 6.258 -4.517 1.00 0.37 C ATOM 1310 O GLU A 84 15.970 7.103 -4.635 1.00 0.40 O ATOM 1311 CB GLU A 84 17.785 5.996 -2.210 1.00 0.51 C ATOM 1312 CG GLU A 84 17.289 7.359 -1.745 1.00 0.64 C ATOM 1313 CD GLU A 84 18.186 7.992 -0.702 1.00 0.90 C ATOM 1314 OE1 GLU A 84 19.203 8.606 -1.080 1.00 1.58 O ATOM 1315 OE2 GLU A 84 17.874 7.889 0.502 1.00 0.95 O ATOM 0 H GLU A 84 18.253 3.768 -3.235 1.00 0.34 H new ATOM 0 HA GLU A 84 15.879 5.271 -2.884 1.00 0.39 H new ATOM 0 HB2 GLU A 84 17.843 5.325 -1.353 1.00 0.51 H new ATOM 0 HB3 GLU A 84 18.796 6.099 -2.604 1.00 0.51 H new ATOM 0 HG2 GLU A 84 17.215 8.025 -2.605 1.00 0.64 H new ATOM 0 HG3 GLU A 84 16.284 7.253 -1.336 1.00 0.64 H new ATOM 1322 N GLN A 85 17.771 6.045 -5.450 1.00 0.37 N ATOM 1323 CA GLN A 85 17.838 6.856 -6.669 1.00 0.42 C ATOM 1324 C GLN A 85 16.520 6.817 -7.437 1.00 0.38 C ATOM 1325 O GLN A 85 16.178 7.756 -8.157 1.00 0.46 O ATOM 1326 CB GLN A 85 18.970 6.371 -7.577 1.00 0.50 C ATOM 1327 CG GLN A 85 20.365 6.727 -7.088 1.00 0.61 C ATOM 1328 CD GLN A 85 21.448 6.094 -7.940 1.00 1.44 C ATOM 1329 OE1 GLN A 85 21.880 6.661 -8.942 1.00 1.90 O ATOM 1330 NE2 GLN A 85 21.906 4.923 -7.533 1.00 2.16 N ATOM 0 H GLN A 85 18.485 5.319 -5.388 1.00 0.37 H new ATOM 0 HA GLN A 85 18.033 7.884 -6.365 1.00 0.42 H new ATOM 0 HB2 GLN A 85 18.899 5.288 -7.678 1.00 0.50 H new ATOM 0 HB3 GLN A 85 18.828 6.794 -8.571 1.00 0.50 H new ATOM 0 HG2 GLN A 85 20.486 7.810 -7.095 1.00 0.61 H new ATOM 0 HG3 GLN A 85 20.480 6.401 -6.054 1.00 0.61 H new ATOM 0 HE21 GLN A 85 21.519 4.487 -6.696 1.00 2.16 H new ATOM 0 HE22 GLN A 85 22.646 4.455 -8.056 1.00 2.16 H new ATOM 1339 N VAL A 86 15.781 5.735 -7.269 1.00 0.31 N ATOM 1340 CA VAL A 86 14.505 5.573 -7.934 1.00 0.31 C ATOM 1341 C VAL A 86 13.389 6.142 -7.076 1.00 0.29 C ATOM 1342 O VAL A 86 12.659 7.040 -7.491 1.00 0.32 O ATOM 1343 CB VAL A 86 14.218 4.087 -8.200 1.00 0.33 C ATOM 1344 CG1 VAL A 86 12.925 3.920 -8.979 1.00 0.38 C ATOM 1345 CG2 VAL A 86 15.385 3.439 -8.926 1.00 0.36 C ATOM 0 H VAL A 86 16.047 4.951 -6.673 1.00 0.31 H new ATOM 0 HA VAL A 86 14.550 6.108 -8.882 1.00 0.31 H new ATOM 0 HB VAL A 86 14.097 3.582 -7.242 1.00 0.33 H new ATOM 0 HG11 VAL A 86 12.741 2.860 -9.156 1.00 0.38 H new ATOM 0 HG12 VAL A 86 12.098 4.341 -8.407 1.00 0.38 H new ATOM 0 HG13 VAL A 86 13.006 4.439 -9.934 1.00 0.38 H new ATOM 0 HG21 VAL A 86 15.163 2.387 -9.105 1.00 0.36 H new ATOM 0 HG22 VAL A 86 15.546 3.943 -9.879 1.00 0.36 H new ATOM 0 HG23 VAL A 86 16.284 3.521 -8.315 1.00 0.36 H new ATOM 1355 N VAL A 87 13.277 5.616 -5.866 1.00 0.28 N ATOM 1356 CA VAL A 87 12.189 5.967 -4.968 1.00 0.32 C ATOM 1357 C VAL A 87 12.286 7.413 -4.477 1.00 0.35 C ATOM 1358 O VAL A 87 11.331 7.954 -3.922 1.00 0.37 O ATOM 1359 CB VAL A 87 12.139 5.007 -3.770 1.00 0.38 C ATOM 1360 CG1 VAL A 87 12.060 3.574 -4.265 1.00 0.38 C ATOM 1361 CG2 VAL A 87 13.341 5.196 -2.864 1.00 0.41 C ATOM 0 H VAL A 87 13.934 4.938 -5.481 1.00 0.28 H new ATOM 0 HA VAL A 87 11.266 5.874 -5.540 1.00 0.32 H new ATOM 0 HB VAL A 87 11.248 5.231 -3.183 1.00 0.38 H new ATOM 0 HG11 VAL A 87 12.025 2.896 -3.412 1.00 0.38 H new ATOM 0 HG12 VAL A 87 11.161 3.446 -4.868 1.00 0.38 H new ATOM 0 HG13 VAL A 87 12.938 3.349 -4.871 1.00 0.38 H new ATOM 0 HG21 VAL A 87 13.277 4.503 -2.025 1.00 0.41 H new ATOM 0 HG22 VAL A 87 14.254 5.002 -3.426 1.00 0.41 H new ATOM 0 HG23 VAL A 87 13.356 6.219 -2.488 1.00 0.41 H new ATOM 1371 N ASN A 88 13.435 8.041 -4.690 1.00 0.38 N ATOM 1372 CA ASN A 88 13.607 9.453 -4.351 1.00 0.47 C ATOM 1373 C ASN A 88 12.723 10.311 -5.249 1.00 0.44 C ATOM 1374 O ASN A 88 12.278 11.387 -4.855 1.00 0.45 O ATOM 1375 CB ASN A 88 15.073 9.886 -4.501 1.00 0.61 C ATOM 1376 CG ASN A 88 15.330 11.286 -3.967 1.00 0.78 C ATOM 1377 OD1 ASN A 88 14.700 11.721 -3.004 1.00 0.87 O ATOM 1378 ND2 ASN A 88 16.261 11.999 -4.586 1.00 0.97 N ATOM 0 H ASN A 88 14.261 7.599 -5.094 1.00 0.38 H new ATOM 0 HA ASN A 88 13.316 9.590 -3.310 1.00 0.47 H new ATOM 0 HB2 ASN A 88 15.712 9.178 -3.974 1.00 0.61 H new ATOM 0 HB3 ASN A 88 15.353 9.846 -5.554 1.00 0.61 H new ATOM 0 HD21 ASN A 88 16.476 12.944 -4.267 1.00 0.97 H new ATOM 0 HD22 ASN A 88 16.762 11.603 -5.381 1.00 0.97 H new ATOM 1385 N GLU A 89 12.439 9.800 -6.446 1.00 0.42 N ATOM 1386 CA GLU A 89 11.599 10.505 -7.406 1.00 0.45 C ATOM 1387 C GLU A 89 10.187 10.679 -6.866 1.00 0.38 C ATOM 1388 O GLU A 89 9.464 11.584 -7.271 1.00 0.43 O ATOM 1389 CB GLU A 89 11.548 9.746 -8.733 1.00 0.54 C ATOM 1390 CG GLU A 89 12.864 9.747 -9.483 1.00 0.65 C ATOM 1391 CD GLU A 89 13.263 11.131 -9.940 1.00 1.23 C ATOM 1392 OE1 GLU A 89 12.445 11.797 -10.604 1.00 1.28 O ATOM 1393 OE2 GLU A 89 14.396 11.565 -9.629 1.00 2.04 O ATOM 0 H GLU A 89 12.781 8.896 -6.773 1.00 0.42 H new ATOM 0 HA GLU A 89 12.037 11.489 -7.572 1.00 0.45 H new ATOM 0 HB2 GLU A 89 11.249 8.715 -8.541 1.00 0.54 H new ATOM 0 HB3 GLU A 89 10.778 10.188 -9.366 1.00 0.54 H new ATOM 0 HG2 GLU A 89 13.645 9.339 -8.842 1.00 0.65 H new ATOM 0 HG3 GLU A 89 12.787 9.089 -10.349 1.00 0.65 H new ATOM 1400 N LEU A 90 9.805 9.813 -5.940 1.00 0.31 N ATOM 1401 CA LEU A 90 8.473 9.858 -5.366 1.00 0.27 C ATOM 1402 C LEU A 90 8.332 11.068 -4.455 1.00 0.25 C ATOM 1403 O LEU A 90 7.352 11.805 -4.528 1.00 0.26 O ATOM 1404 CB LEU A 90 8.194 8.578 -4.580 1.00 0.26 C ATOM 1405 CG LEU A 90 8.421 7.282 -5.352 1.00 0.30 C ATOM 1406 CD1 LEU A 90 8.226 6.092 -4.436 1.00 0.31 C ATOM 1407 CD2 LEU A 90 7.487 7.194 -6.545 1.00 0.37 C ATOM 0 H LEU A 90 10.400 9.071 -5.571 1.00 0.31 H new ATOM 0 HA LEU A 90 7.748 9.941 -6.176 1.00 0.27 H new ATOM 0 HB2 LEU A 90 8.827 8.570 -3.693 1.00 0.26 H new ATOM 0 HB3 LEU A 90 7.161 8.600 -4.234 1.00 0.26 H new ATOM 0 HG LEU A 90 9.445 7.275 -5.725 1.00 0.30 H new ATOM 0 HD11 LEU A 90 8.390 5.171 -4.996 1.00 0.31 H new ATOM 0 HD12 LEU A 90 8.937 6.147 -3.612 1.00 0.31 H new ATOM 0 HD13 LEU A 90 7.210 6.100 -4.040 1.00 0.31 H new ATOM 0 HD21 LEU A 90 7.667 6.262 -7.080 1.00 0.37 H new ATOM 0 HD22 LEU A 90 6.453 7.221 -6.200 1.00 0.37 H new ATOM 0 HD23 LEU A 90 7.669 8.036 -7.212 1.00 0.37 H new ATOM 1419 N PHE A 91 9.336 11.279 -3.615 1.00 0.27 N ATOM 1420 CA PHE A 91 9.300 12.360 -2.641 1.00 0.29 C ATOM 1421 C PHE A 91 9.703 13.679 -3.288 1.00 0.33 C ATOM 1422 O PHE A 91 9.047 14.705 -3.093 1.00 0.33 O ATOM 1423 CB PHE A 91 10.235 12.051 -1.464 1.00 0.35 C ATOM 1424 CG PHE A 91 9.922 12.837 -0.219 1.00 0.37 C ATOM 1425 CD1 PHE A 91 10.326 14.158 -0.085 1.00 0.46 C ATOM 1426 CD2 PHE A 91 9.224 12.248 0.823 1.00 0.37 C ATOM 1427 CE1 PHE A 91 10.036 14.872 1.062 1.00 0.53 C ATOM 1428 CE2 PHE A 91 8.932 12.958 1.970 1.00 0.43 C ATOM 1429 CZ PHE A 91 9.338 14.272 2.090 1.00 0.50 C ATOM 0 H PHE A 91 10.186 10.715 -3.589 1.00 0.27 H new ATOM 0 HA PHE A 91 8.279 12.449 -2.270 1.00 0.29 H new ATOM 0 HB2 PHE A 91 10.177 10.987 -1.235 1.00 0.35 H new ATOM 0 HB3 PHE A 91 11.262 12.257 -1.764 1.00 0.35 H new ATOM 0 HD1 PHE A 91 10.873 14.633 -0.886 1.00 0.46 H new ATOM 0 HD2 PHE A 91 8.904 11.220 0.737 1.00 0.37 H new ATOM 0 HE1 PHE A 91 10.356 15.900 1.154 1.00 0.53 H new ATOM 0 HE2 PHE A 91 8.386 12.486 2.773 1.00 0.43 H new ATOM 0 HZ PHE A 91 9.110 14.829 2.987 1.00 0.50 H new ATOM 1439 N ARG A 92 10.762 13.636 -4.089 1.00 0.39 N ATOM 1440 CA ARG A 92 11.364 14.843 -4.640 1.00 0.49 C ATOM 1441 C ARG A 92 10.439 15.526 -5.646 1.00 0.51 C ATOM 1442 O ARG A 92 10.515 16.735 -5.847 1.00 0.62 O ATOM 1443 CB ARG A 92 12.702 14.494 -5.299 1.00 0.56 C ATOM 1444 CG ARG A 92 13.507 15.703 -5.751 1.00 1.24 C ATOM 1445 CD ARG A 92 13.858 16.608 -4.580 1.00 1.54 C ATOM 1446 NE ARG A 92 14.799 17.656 -4.961 1.00 2.30 N ATOM 1447 CZ ARG A 92 15.523 18.356 -4.089 1.00 2.99 C ATOM 1448 NH1 ARG A 92 15.350 18.179 -2.783 1.00 3.13 N ATOM 1449 NH2 ARG A 92 16.411 19.243 -4.522 1.00 3.95 N ATOM 0 H ARG A 92 11.223 12.772 -4.372 1.00 0.39 H new ATOM 0 HA ARG A 92 11.531 15.544 -3.822 1.00 0.49 H new ATOM 0 HB2 ARG A 92 13.301 13.915 -4.596 1.00 0.56 H new ATOM 0 HB3 ARG A 92 12.514 13.854 -6.161 1.00 0.56 H new ATOM 0 HG2 ARG A 92 14.422 15.370 -6.242 1.00 1.24 H new ATOM 0 HG3 ARG A 92 12.936 16.266 -6.489 1.00 1.24 H new ATOM 0 HD2 ARG A 92 12.948 17.063 -4.188 1.00 1.54 H new ATOM 0 HD3 ARG A 92 14.287 16.010 -3.776 1.00 1.54 H new ATOM 0 HE ARG A 92 14.909 17.865 -5.953 1.00 2.30 H new ATOM 0 HH11 ARG A 92 14.662 17.506 -2.446 1.00 3.13 H new ATOM 0 HH12 ARG A 92 15.906 18.716 -2.117 1.00 3.13 H new ATOM 0 HH21 ARG A 92 16.539 19.389 -5.523 1.00 3.95 H new ATOM 0 HH22 ARG A 92 16.965 19.778 -3.853 1.00 3.95 H new ATOM 1463 N ASP A 93 9.548 14.755 -6.251 1.00 0.46 N ATOM 1464 CA ASP A 93 8.670 15.281 -7.294 1.00 0.53 C ATOM 1465 C ASP A 93 7.353 15.793 -6.700 1.00 0.50 C ATOM 1466 O ASP A 93 6.347 15.912 -7.397 1.00 0.60 O ATOM 1467 CB ASP A 93 8.402 14.198 -8.351 1.00 0.62 C ATOM 1468 CG ASP A 93 7.698 14.731 -9.583 1.00 0.90 C ATOM 1469 OD1 ASP A 93 8.295 15.564 -10.302 1.00 1.14 O ATOM 1470 OD2 ASP A 93 6.540 14.332 -9.832 1.00 1.11 O ATOM 0 H ASP A 93 9.411 13.766 -6.041 1.00 0.46 H new ATOM 0 HA ASP A 93 9.169 16.124 -7.771 1.00 0.53 H new ATOM 0 HB2 ASP A 93 9.349 13.746 -8.648 1.00 0.62 H new ATOM 0 HB3 ASP A 93 7.797 13.408 -7.907 1.00 0.62 H new ATOM 1475 N GLY A 94 7.356 16.111 -5.411 1.00 0.45 N ATOM 1476 CA GLY A 94 6.151 16.659 -4.812 1.00 0.47 C ATOM 1477 C GLY A 94 5.265 15.599 -4.193 1.00 0.39 C ATOM 1478 O GLY A 94 4.045 15.680 -4.318 1.00 0.42 O ATOM 0 H GLY A 94 8.151 16.003 -4.781 1.00 0.45 H new ATOM 0 HA2 GLY A 94 6.429 17.384 -4.047 1.00 0.47 H new ATOM 0 HA3 GLY A 94 5.586 17.198 -5.573 1.00 0.47 H new ATOM 1482 N VAL A 95 5.892 14.580 -3.594 1.00 0.32 N ATOM 1483 CA VAL A 95 5.199 13.427 -2.991 1.00 0.26 C ATOM 1484 C VAL A 95 3.779 13.739 -2.502 1.00 0.25 C ATOM 1485 O VAL A 95 3.567 14.546 -1.601 1.00 0.29 O ATOM 1486 CB VAL A 95 6.016 12.840 -1.812 1.00 0.31 C ATOM 1487 CG1 VAL A 95 6.360 13.915 -0.791 1.00 0.40 C ATOM 1488 CG2 VAL A 95 5.260 11.691 -1.152 1.00 0.33 C ATOM 0 H VAL A 95 6.907 14.529 -3.511 1.00 0.32 H new ATOM 0 HA VAL A 95 5.113 12.698 -3.797 1.00 0.26 H new ATOM 0 HB VAL A 95 6.951 12.450 -2.214 1.00 0.31 H new ATOM 0 HG11 VAL A 95 6.933 13.473 0.024 1.00 0.40 H new ATOM 0 HG12 VAL A 95 6.952 14.695 -1.269 1.00 0.40 H new ATOM 0 HG13 VAL A 95 5.441 14.348 -0.395 1.00 0.40 H new ATOM 0 HG21 VAL A 95 5.851 11.293 -0.327 1.00 0.33 H new ATOM 0 HG22 VAL A 95 4.305 12.054 -0.772 1.00 0.33 H new ATOM 0 HG23 VAL A 95 5.083 10.903 -1.885 1.00 0.33 H new ATOM 1498 N ASN A 96 2.810 13.131 -3.160 1.00 0.24 N ATOM 1499 CA ASN A 96 1.427 13.151 -2.703 1.00 0.29 C ATOM 1500 C ASN A 96 1.049 11.752 -2.229 1.00 0.23 C ATOM 1501 O ASN A 96 1.881 10.842 -2.287 1.00 0.21 O ATOM 1502 CB ASN A 96 0.481 13.636 -3.814 1.00 0.41 C ATOM 1503 CG ASN A 96 0.342 15.152 -3.859 1.00 1.33 C ATOM 1504 OD1 ASN A 96 -0.697 15.679 -4.259 1.00 2.13 O ATOM 1505 ND2 ASN A 96 1.376 15.868 -3.449 1.00 2.00 N ATOM 0 H ASN A 96 2.955 12.610 -4.025 1.00 0.24 H new ATOM 0 HA ASN A 96 1.329 13.854 -1.875 1.00 0.29 H new ATOM 0 HB2 ASN A 96 0.849 13.282 -4.777 1.00 0.41 H new ATOM 0 HB3 ASN A 96 -0.503 13.191 -3.666 1.00 0.41 H new ATOM 0 HD21 ASN A 96 1.327 16.887 -3.458 1.00 2.00 H new ATOM 0 HD22 ASN A 96 2.223 15.401 -3.123 1.00 2.00 H new ATOM 1512 N TRP A 97 -0.183 11.566 -1.772 1.00 0.25 N ATOM 1513 CA TRP A 97 -0.601 10.276 -1.219 1.00 0.24 C ATOM 1514 C TRP A 97 -0.470 9.147 -2.247 1.00 0.25 C ATOM 1515 O TRP A 97 -0.246 7.990 -1.886 1.00 0.25 O ATOM 1516 CB TRP A 97 -2.036 10.349 -0.683 1.00 0.27 C ATOM 1517 CG TRP A 97 -2.191 11.275 0.494 1.00 0.28 C ATOM 1518 CD1 TRP A 97 -2.865 12.462 0.521 1.00 0.32 C ATOM 1519 CD2 TRP A 97 -1.655 11.093 1.814 1.00 0.27 C ATOM 1520 NE1 TRP A 97 -2.779 13.028 1.769 1.00 0.34 N ATOM 1521 CE2 TRP A 97 -2.043 12.209 2.580 1.00 0.30 C ATOM 1522 CE3 TRP A 97 -0.884 10.097 2.426 1.00 0.26 C ATOM 1523 CZ2 TRP A 97 -1.690 12.356 3.919 1.00 0.32 C ATOM 1524 CZ3 TRP A 97 -0.535 10.246 3.756 1.00 0.27 C ATOM 1525 CH2 TRP A 97 -0.937 11.368 4.489 1.00 0.30 C ATOM 0 H TRP A 97 -0.908 12.283 -1.771 1.00 0.25 H new ATOM 0 HA TRP A 97 0.069 10.049 -0.390 1.00 0.24 H new ATOM 0 HB2 TRP A 97 -2.698 10.678 -1.484 1.00 0.27 H new ATOM 0 HB3 TRP A 97 -2.359 9.349 -0.393 1.00 0.27 H new ATOM 0 HD1 TRP A 97 -3.390 12.894 -0.318 1.00 0.32 H new ATOM 0 HE1 TRP A 97 -3.197 13.916 2.046 1.00 0.34 H new ATOM 0 HE3 TRP A 97 -0.567 9.228 1.869 1.00 0.26 H new ATOM 0 HZ2 TRP A 97 -2.000 13.220 4.487 1.00 0.32 H new ATOM 0 HZ3 TRP A 97 0.058 9.483 4.237 1.00 0.27 H new ATOM 0 HH2 TRP A 97 -0.647 11.455 5.526 1.00 0.30 H new ATOM 1536 N GLY A 98 -0.581 9.487 -3.529 1.00 0.27 N ATOM 1537 CA GLY A 98 -0.452 8.494 -4.584 1.00 0.29 C ATOM 1538 C GLY A 98 0.961 7.948 -4.711 1.00 0.26 C ATOM 1539 O GLY A 98 1.161 6.839 -5.210 1.00 0.27 O ATOM 0 H GLY A 98 -0.759 10.436 -3.857 1.00 0.27 H new ATOM 0 HA2 GLY A 98 -1.138 7.670 -4.387 1.00 0.29 H new ATOM 0 HA3 GLY A 98 -0.751 8.938 -5.533 1.00 0.29 H new ATOM 1543 N ARG A 99 1.944 8.713 -4.245 1.00 0.26 N ATOM 1544 CA ARG A 99 3.341 8.284 -4.311 1.00 0.25 C ATOM 1545 C ARG A 99 3.578 7.158 -3.323 1.00 0.21 C ATOM 1546 O ARG A 99 4.375 6.256 -3.569 1.00 0.20 O ATOM 1547 CB ARG A 99 4.303 9.437 -4.007 1.00 0.30 C ATOM 1548 CG ARG A 99 4.341 10.539 -5.059 1.00 0.70 C ATOM 1549 CD ARG A 99 4.779 10.026 -6.427 1.00 1.40 C ATOM 1550 NE ARG A 99 3.684 9.400 -7.170 1.00 1.74 N ATOM 1551 CZ ARG A 99 3.790 8.976 -8.429 1.00 2.46 C ATOM 1552 NH1 ARG A 99 4.937 9.106 -9.086 1.00 3.06 N ATOM 1553 NH2 ARG A 99 2.740 8.441 -9.038 1.00 2.98 N ATOM 0 H ARG A 99 1.802 9.629 -3.819 1.00 0.26 H new ATOM 0 HA ARG A 99 3.535 7.940 -5.327 1.00 0.25 H new ATOM 0 HB2 ARG A 99 4.026 9.879 -3.050 1.00 0.30 H new ATOM 0 HB3 ARG A 99 5.308 9.031 -3.892 1.00 0.30 H new ATOM 0 HG2 ARG A 99 3.353 10.991 -5.143 1.00 0.70 H new ATOM 0 HG3 ARG A 99 5.023 11.324 -4.733 1.00 0.70 H new ATOM 0 HD2 ARG A 99 5.182 10.854 -7.010 1.00 1.40 H new ATOM 0 HD3 ARG A 99 5.586 9.304 -6.299 1.00 1.40 H new ATOM 0 HE ARG A 99 2.788 9.281 -6.697 1.00 1.74 H new ATOM 0 HH11 ARG A 99 5.742 9.532 -8.627 1.00 3.06 H new ATOM 0 HH12 ARG A 99 5.013 8.780 -10.049 1.00 3.06 H new ATOM 0 HH21 ARG A 99 1.853 8.354 -8.543 1.00 2.98 H new ATOM 0 HH22 ARG A 99 2.820 8.116 -10.002 1.00 2.98 H new ATOM 1567 N ILE A 100 2.864 7.218 -2.209 1.00 0.22 N ATOM 1568 CA ILE A 100 2.941 6.188 -1.191 1.00 0.21 C ATOM 1569 C ILE A 100 2.390 4.885 -1.746 1.00 0.20 C ATOM 1570 O ILE A 100 2.985 3.821 -1.582 1.00 0.19 O ATOM 1571 CB ILE A 100 2.153 6.601 0.069 1.00 0.24 C ATOM 1572 CG1 ILE A 100 2.751 7.878 0.669 1.00 0.26 C ATOM 1573 CG2 ILE A 100 2.141 5.476 1.089 1.00 0.24 C ATOM 1574 CD1 ILE A 100 2.139 8.273 1.991 1.00 0.30 C ATOM 0 H ILE A 100 2.220 7.978 -1.989 1.00 0.22 H new ATOM 0 HA ILE A 100 3.985 6.052 -0.909 1.00 0.21 H new ATOM 0 HB ILE A 100 1.121 6.804 -0.216 1.00 0.24 H new ATOM 0 HG12 ILE A 100 3.824 7.738 0.803 1.00 0.26 H new ATOM 0 HG13 ILE A 100 2.622 8.696 -0.040 1.00 0.26 H new ATOM 0 HG21 ILE A 100 1.580 5.789 1.969 1.00 0.24 H new ATOM 0 HG22 ILE A 100 1.670 4.595 0.653 1.00 0.24 H new ATOM 0 HG23 ILE A 100 3.164 5.236 1.378 1.00 0.24 H new ATOM 0 HD11 ILE A 100 2.613 9.185 2.353 1.00 0.30 H new ATOM 0 HD12 ILE A 100 1.071 8.446 1.860 1.00 0.30 H new ATOM 0 HD13 ILE A 100 2.291 7.473 2.716 1.00 0.30 H new ATOM 1586 N VAL A 101 1.260 4.990 -2.428 1.00 0.21 N ATOM 1587 CA VAL A 101 0.643 3.850 -3.080 1.00 0.21 C ATOM 1588 C VAL A 101 1.616 3.216 -4.060 1.00 0.20 C ATOM 1589 O VAL A 101 1.833 2.002 -4.051 1.00 0.21 O ATOM 1590 CB VAL A 101 -0.619 4.275 -3.842 1.00 0.25 C ATOM 1591 CG1 VAL A 101 -1.336 3.062 -4.402 1.00 0.29 C ATOM 1592 CG2 VAL A 101 -1.532 5.082 -2.942 1.00 0.26 C ATOM 0 H VAL A 101 0.748 5.865 -2.544 1.00 0.21 H new ATOM 0 HA VAL A 101 0.372 3.130 -2.308 1.00 0.21 H new ATOM 0 HB VAL A 101 -0.325 4.907 -4.680 1.00 0.25 H new ATOM 0 HG11 VAL A 101 -2.229 3.383 -4.939 1.00 0.29 H new ATOM 0 HG12 VAL A 101 -0.673 2.530 -5.085 1.00 0.29 H new ATOM 0 HG13 VAL A 101 -1.623 2.400 -3.585 1.00 0.29 H new ATOM 0 HG21 VAL A 101 -2.423 5.376 -3.497 1.00 0.26 H new ATOM 0 HG22 VAL A 101 -1.823 4.478 -2.083 1.00 0.26 H new ATOM 0 HG23 VAL A 101 -1.008 5.974 -2.598 1.00 0.26 H new ATOM 1602 N ALA A 102 2.198 4.060 -4.902 1.00 0.19 N ATOM 1603 CA ALA A 102 3.170 3.621 -5.888 1.00 0.19 C ATOM 1604 C ALA A 102 4.350 2.925 -5.220 1.00 0.17 C ATOM 1605 O ALA A 102 4.789 1.868 -5.669 1.00 0.19 O ATOM 1606 CB ALA A 102 3.646 4.808 -6.708 1.00 0.21 C ATOM 0 H ALA A 102 2.009 5.062 -4.919 1.00 0.19 H new ATOM 0 HA ALA A 102 2.690 2.901 -6.551 1.00 0.19 H new ATOM 0 HB1 ALA A 102 4.375 4.472 -7.446 1.00 0.21 H new ATOM 0 HB2 ALA A 102 2.796 5.262 -7.218 1.00 0.21 H new ATOM 0 HB3 ALA A 102 4.109 5.543 -6.049 1.00 0.21 H new ATOM 1612 N PHE A 103 4.832 3.513 -4.129 1.00 0.16 N ATOM 1613 CA PHE A 103 5.980 2.980 -3.396 1.00 0.17 C ATOM 1614 C PHE A 103 5.714 1.552 -2.930 1.00 0.17 C ATOM 1615 O PHE A 103 6.544 0.661 -3.115 1.00 0.21 O ATOM 1616 CB PHE A 103 6.299 3.878 -2.191 1.00 0.17 C ATOM 1617 CG PHE A 103 7.475 3.411 -1.374 1.00 0.19 C ATOM 1618 CD1 PHE A 103 8.747 3.383 -1.923 1.00 0.29 C ATOM 1619 CD2 PHE A 103 7.308 2.996 -0.061 1.00 0.17 C ATOM 1620 CE1 PHE A 103 9.828 2.954 -1.181 1.00 0.32 C ATOM 1621 CE2 PHE A 103 8.388 2.566 0.686 1.00 0.20 C ATOM 1622 CZ PHE A 103 9.649 2.545 0.125 1.00 0.26 C ATOM 0 H PHE A 103 4.442 4.366 -3.729 1.00 0.16 H new ATOM 0 HA PHE A 103 6.838 2.965 -4.068 1.00 0.17 H new ATOM 0 HB2 PHE A 103 6.495 4.890 -2.546 1.00 0.17 H new ATOM 0 HB3 PHE A 103 5.421 3.931 -1.548 1.00 0.17 H new ATOM 0 HD1 PHE A 103 8.894 3.701 -2.945 1.00 0.29 H new ATOM 0 HD2 PHE A 103 6.323 3.009 0.382 1.00 0.17 H new ATOM 0 HE1 PHE A 103 10.814 2.938 -1.622 1.00 0.32 H new ATOM 0 HE2 PHE A 103 8.246 2.247 1.708 1.00 0.20 H new ATOM 0 HZ PHE A 103 10.494 2.209 0.707 1.00 0.26 H new ATOM 1632 N PHE A 104 4.541 1.337 -2.352 1.00 0.16 N ATOM 1633 CA PHE A 104 4.178 0.027 -1.833 1.00 0.18 C ATOM 1634 C PHE A 104 3.965 -0.969 -2.967 1.00 0.19 C ATOM 1635 O PHE A 104 4.289 -2.151 -2.837 1.00 0.23 O ATOM 1636 CB PHE A 104 2.922 0.126 -0.960 1.00 0.19 C ATOM 1637 CG PHE A 104 3.192 0.637 0.431 1.00 0.21 C ATOM 1638 CD1 PHE A 104 3.661 1.925 0.623 1.00 0.24 C ATOM 1639 CD2 PHE A 104 2.981 -0.164 1.544 1.00 0.29 C ATOM 1640 CE1 PHE A 104 3.913 2.404 1.892 1.00 0.27 C ATOM 1641 CE2 PHE A 104 3.231 0.311 2.816 1.00 0.33 C ATOM 1642 CZ PHE A 104 3.681 1.563 3.005 1.00 0.30 C ATOM 0 H PHE A 104 3.825 2.053 -2.231 1.00 0.16 H new ATOM 0 HA PHE A 104 5.001 -0.334 -1.217 1.00 0.18 H new ATOM 0 HB2 PHE A 104 2.203 0.785 -1.447 1.00 0.19 H new ATOM 0 HB3 PHE A 104 2.458 -0.858 -0.893 1.00 0.19 H new ATOM 0 HD1 PHE A 104 3.832 2.563 -0.231 1.00 0.24 H new ATOM 0 HD2 PHE A 104 2.616 -1.172 1.414 1.00 0.29 H new ATOM 0 HE1 PHE A 104 4.283 3.409 2.034 1.00 0.27 H new ATOM 0 HE2 PHE A 104 3.063 -0.331 3.668 1.00 0.33 H new ATOM 0 HZ PHE A 104 3.865 1.926 4.005 1.00 0.30 H new ATOM 1652 N SER A 105 3.443 -0.482 -4.083 1.00 0.18 N ATOM 1653 CA SER A 105 3.211 -1.326 -5.247 1.00 0.21 C ATOM 1654 C SER A 105 4.537 -1.817 -5.835 1.00 0.21 C ATOM 1655 O SER A 105 4.641 -2.962 -6.277 1.00 0.23 O ATOM 1656 CB SER A 105 2.410 -0.560 -6.304 1.00 0.25 C ATOM 1657 OG SER A 105 1.197 -0.060 -5.763 1.00 1.04 O ATOM 0 H SER A 105 3.172 0.493 -4.208 1.00 0.18 H new ATOM 0 HA SER A 105 2.635 -2.196 -4.932 1.00 0.21 H new ATOM 0 HB2 SER A 105 3.008 0.266 -6.690 1.00 0.25 H new ATOM 0 HB3 SER A 105 2.193 -1.217 -7.146 1.00 0.25 H new ATOM 0 HG SER A 105 1.387 0.717 -5.196 1.00 1.04 H new ATOM 1663 N PHE A 106 5.557 -0.955 -5.815 1.00 0.20 N ATOM 1664 CA PHE A 106 6.862 -1.307 -6.366 1.00 0.21 C ATOM 1665 C PHE A 106 7.460 -2.479 -5.604 1.00 0.22 C ATOM 1666 O PHE A 106 7.906 -3.457 -6.206 1.00 0.24 O ATOM 1667 CB PHE A 106 7.830 -0.116 -6.319 1.00 0.23 C ATOM 1668 CG PHE A 106 7.403 1.068 -7.142 1.00 0.24 C ATOM 1669 CD1 PHE A 106 6.624 0.905 -8.277 1.00 0.30 C ATOM 1670 CD2 PHE A 106 7.789 2.349 -6.780 1.00 0.27 C ATOM 1671 CE1 PHE A 106 6.237 1.996 -9.031 1.00 0.35 C ATOM 1672 CE2 PHE A 106 7.406 3.442 -7.530 1.00 0.30 C ATOM 1673 CZ PHE A 106 6.629 3.266 -8.656 1.00 0.33 C ATOM 0 H PHE A 106 5.502 -0.014 -5.425 1.00 0.20 H new ATOM 0 HA PHE A 106 6.713 -1.589 -7.408 1.00 0.21 H new ATOM 0 HB2 PHE A 106 7.946 0.201 -5.283 1.00 0.23 H new ATOM 0 HB3 PHE A 106 8.810 -0.447 -6.663 1.00 0.23 H new ATOM 0 HD1 PHE A 106 6.316 -0.086 -8.575 1.00 0.30 H new ATOM 0 HD2 PHE A 106 8.397 2.494 -5.899 1.00 0.27 H new ATOM 0 HE1 PHE A 106 5.629 1.856 -9.912 1.00 0.35 H new ATOM 0 HE2 PHE A 106 7.714 4.434 -7.236 1.00 0.30 H new ATOM 0 HZ PHE A 106 6.328 4.120 -9.244 1.00 0.33 H new ATOM 1683 N GLY A 107 7.450 -2.384 -4.278 1.00 0.23 N ATOM 1684 CA GLY A 107 7.973 -3.456 -3.452 1.00 0.27 C ATOM 1685 C GLY A 107 7.253 -4.764 -3.701 1.00 0.32 C ATOM 1686 O GLY A 107 7.860 -5.834 -3.654 1.00 0.37 O ATOM 0 H GLY A 107 7.089 -1.583 -3.761 1.00 0.23 H new ATOM 0 HA2 GLY A 107 9.037 -3.583 -3.653 1.00 0.27 H new ATOM 0 HA3 GLY A 107 7.878 -3.184 -2.401 1.00 0.27 H new ATOM 1690 N GLY A 108 5.957 -4.672 -3.981 1.00 0.33 N ATOM 1691 CA GLY A 108 5.155 -5.849 -4.262 1.00 0.41 C ATOM 1692 C GLY A 108 5.617 -6.595 -5.500 1.00 0.42 C ATOM 1693 O GLY A 108 5.404 -7.799 -5.624 1.00 0.63 O ATOM 0 H GLY A 108 5.443 -3.792 -4.018 1.00 0.33 H new ATOM 0 HA2 GLY A 108 5.191 -6.521 -3.404 1.00 0.41 H new ATOM 0 HA3 GLY A 108 4.114 -5.551 -4.390 1.00 0.41 H new ATOM 1697 N ALA A 109 6.239 -5.882 -6.420 1.00 0.27 N ATOM 1698 CA ALA A 109 6.798 -6.498 -7.611 1.00 0.26 C ATOM 1699 C ALA A 109 8.237 -6.925 -7.362 1.00 0.23 C ATOM 1700 O ALA A 109 8.666 -7.993 -7.805 1.00 0.24 O ATOM 1701 CB ALA A 109 6.726 -5.534 -8.778 1.00 0.29 C ATOM 0 H ALA A 109 6.371 -4.872 -6.366 1.00 0.27 H new ATOM 0 HA ALA A 109 6.214 -7.385 -7.854 1.00 0.26 H new ATOM 0 HB1 ALA A 109 7.148 -6.005 -9.666 1.00 0.29 H new ATOM 0 HB2 ALA A 109 5.686 -5.269 -8.967 1.00 0.29 H new ATOM 0 HB3 ALA A 109 7.293 -4.633 -8.542 1.00 0.29 H new ATOM 1707 N LEU A 110 8.962 -6.088 -6.631 1.00 0.22 N ATOM 1708 CA LEU A 110 10.365 -6.321 -6.324 1.00 0.23 C ATOM 1709 C LEU A 110 10.560 -7.621 -5.562 1.00 0.21 C ATOM 1710 O LEU A 110 11.408 -8.440 -5.916 1.00 0.21 O ATOM 1711 CB LEU A 110 10.906 -5.167 -5.489 1.00 0.25 C ATOM 1712 CG LEU A 110 10.910 -3.815 -6.180 1.00 0.28 C ATOM 1713 CD1 LEU A 110 11.338 -2.739 -5.205 1.00 0.32 C ATOM 1714 CD2 LEU A 110 11.830 -3.848 -7.385 1.00 0.36 C ATOM 0 H LEU A 110 8.591 -5.225 -6.233 1.00 0.22 H new ATOM 0 HA LEU A 110 10.906 -6.391 -7.268 1.00 0.23 H new ATOM 0 HB2 LEU A 110 10.313 -5.090 -4.578 1.00 0.25 H new ATOM 0 HB3 LEU A 110 11.926 -5.405 -5.186 1.00 0.25 H new ATOM 0 HG LEU A 110 9.902 -3.586 -6.526 1.00 0.28 H new ATOM 0 HD11 LEU A 110 11.339 -1.772 -5.708 1.00 0.32 H new ATOM 0 HD12 LEU A 110 10.643 -2.711 -4.366 1.00 0.32 H new ATOM 0 HD13 LEU A 110 12.341 -2.958 -4.839 1.00 0.32 H new ATOM 0 HD21 LEU A 110 11.825 -2.873 -7.873 1.00 0.36 H new ATOM 0 HD22 LEU A 110 12.843 -4.088 -7.063 1.00 0.36 H new ATOM 0 HD23 LEU A 110 11.484 -4.607 -8.087 1.00 0.36 H new ATOM 1726 N CYS A 111 9.775 -7.797 -4.507 1.00 0.21 N ATOM 1727 CA CYS A 111 9.899 -8.964 -3.647 1.00 0.21 C ATOM 1728 C CYS A 111 9.747 -10.257 -4.442 1.00 0.21 C ATOM 1729 O CYS A 111 10.438 -11.243 -4.185 1.00 0.25 O ATOM 1730 CB CYS A 111 8.858 -8.903 -2.526 1.00 0.22 C ATOM 1731 SG CYS A 111 7.162 -8.667 -3.096 1.00 1.34 S ATOM 0 H CYS A 111 9.044 -7.143 -4.227 1.00 0.21 H new ATOM 0 HA CYS A 111 10.897 -8.957 -3.208 1.00 0.21 H new ATOM 0 HB2 CYS A 111 8.909 -9.826 -1.948 1.00 0.22 H new ATOM 0 HB3 CYS A 111 9.118 -8.089 -1.849 1.00 0.22 H new ATOM 0 HG CYS A 111 6.994 -7.429 -3.457 1.00 1.34 H new ATOM 1737 N VAL A 112 8.866 -10.228 -5.429 1.00 0.19 N ATOM 1738 CA VAL A 112 8.585 -11.398 -6.240 1.00 0.20 C ATOM 1739 C VAL A 112 9.771 -11.753 -7.122 1.00 0.22 C ATOM 1740 O VAL A 112 10.307 -12.862 -7.042 1.00 0.25 O ATOM 1741 CB VAL A 112 7.353 -11.163 -7.120 1.00 0.23 C ATOM 1742 CG1 VAL A 112 7.102 -12.366 -8.010 1.00 0.27 C ATOM 1743 CG2 VAL A 112 6.138 -10.870 -6.257 1.00 0.25 C ATOM 0 H VAL A 112 8.330 -9.399 -5.688 1.00 0.19 H new ATOM 0 HA VAL A 112 8.391 -12.227 -5.560 1.00 0.20 H new ATOM 0 HB VAL A 112 7.538 -10.299 -7.758 1.00 0.23 H new ATOM 0 HG11 VAL A 112 6.224 -12.184 -8.629 1.00 0.27 H new ATOM 0 HG12 VAL A 112 7.969 -12.532 -8.650 1.00 0.27 H new ATOM 0 HG13 VAL A 112 6.933 -13.247 -7.391 1.00 0.27 H new ATOM 0 HG21 VAL A 112 5.270 -10.705 -6.895 1.00 0.25 H new ATOM 0 HG22 VAL A 112 5.948 -11.716 -5.597 1.00 0.25 H new ATOM 0 HG23 VAL A 112 6.323 -9.978 -5.659 1.00 0.25 H new ATOM 1753 N GLU A 113 10.181 -10.802 -7.957 1.00 0.22 N ATOM 1754 CA GLU A 113 11.283 -11.024 -8.889 1.00 0.25 C ATOM 1755 C GLU A 113 12.551 -11.428 -8.148 1.00 0.25 C ATOM 1756 O GLU A 113 13.396 -12.130 -8.691 1.00 0.30 O ATOM 1757 CB GLU A 113 11.533 -9.782 -9.756 1.00 0.29 C ATOM 1758 CG GLU A 113 11.872 -8.523 -8.973 1.00 0.30 C ATOM 1759 CD GLU A 113 11.966 -7.298 -9.863 1.00 0.39 C ATOM 1760 OE1 GLU A 113 10.917 -6.788 -10.309 1.00 0.51 O ATOM 1761 OE2 GLU A 113 13.097 -6.837 -10.124 1.00 0.50 O ATOM 0 H GLU A 113 9.767 -9.871 -8.007 1.00 0.22 H new ATOM 0 HA GLU A 113 10.999 -11.844 -9.549 1.00 0.25 H new ATOM 0 HB2 GLU A 113 12.349 -9.995 -10.447 1.00 0.29 H new ATOM 0 HB3 GLU A 113 10.646 -9.591 -10.359 1.00 0.29 H new ATOM 0 HG2 GLU A 113 11.112 -8.357 -8.210 1.00 0.30 H new ATOM 0 HG3 GLU A 113 12.820 -8.665 -8.453 1.00 0.30 H new ATOM 1768 N SER A 114 12.660 -11.013 -6.895 1.00 0.23 N ATOM 1769 CA SER A 114 13.798 -11.379 -6.074 1.00 0.28 C ATOM 1770 C SER A 114 13.813 -12.881 -5.818 1.00 0.27 C ATOM 1771 O SER A 114 14.842 -13.534 -5.964 1.00 0.31 O ATOM 1772 CB SER A 114 13.769 -10.614 -4.754 1.00 0.33 C ATOM 1773 OG SER A 114 13.847 -9.222 -4.984 1.00 0.99 O ATOM 0 H SER A 114 11.973 -10.422 -6.427 1.00 0.23 H new ATOM 0 HA SER A 114 14.709 -11.113 -6.610 1.00 0.28 H new ATOM 0 HB2 SER A 114 12.853 -10.848 -4.212 1.00 0.33 H new ATOM 0 HB3 SER A 114 14.601 -10.931 -4.125 1.00 0.33 H new ATOM 0 HG SER A 114 12.997 -8.903 -5.354 1.00 0.99 H new ATOM 1779 N VAL A 115 12.659 -13.435 -5.481 1.00 0.28 N ATOM 1780 CA VAL A 115 12.564 -14.851 -5.170 1.00 0.33 C ATOM 1781 C VAL A 115 12.767 -15.686 -6.425 1.00 0.37 C ATOM 1782 O VAL A 115 13.534 -16.652 -6.424 1.00 0.42 O ATOM 1783 CB VAL A 115 11.207 -15.194 -4.538 1.00 0.40 C ATOM 1784 CG1 VAL A 115 11.117 -16.682 -4.241 1.00 0.45 C ATOM 1785 CG2 VAL A 115 10.997 -14.382 -3.273 1.00 0.41 C ATOM 0 H VAL A 115 11.777 -12.926 -5.416 1.00 0.28 H new ATOM 0 HA VAL A 115 13.349 -15.083 -4.450 1.00 0.33 H new ATOM 0 HB VAL A 115 10.419 -14.941 -5.247 1.00 0.40 H new ATOM 0 HG11 VAL A 115 10.149 -16.906 -3.794 1.00 0.45 H new ATOM 0 HG12 VAL A 115 11.228 -17.245 -5.168 1.00 0.45 H new ATOM 0 HG13 VAL A 115 11.910 -16.963 -3.548 1.00 0.45 H new ATOM 0 HG21 VAL A 115 10.031 -14.634 -2.835 1.00 0.41 H new ATOM 0 HG22 VAL A 115 11.790 -14.608 -2.560 1.00 0.41 H new ATOM 0 HG23 VAL A 115 11.019 -13.319 -3.515 1.00 0.41 H new ATOM 1795 N ASP A 116 12.089 -15.296 -7.500 1.00 0.38 N ATOM 1796 CA ASP A 116 12.179 -16.010 -8.772 1.00 0.46 C ATOM 1797 C ASP A 116 13.609 -16.033 -9.307 1.00 0.47 C ATOM 1798 O ASP A 116 13.978 -16.925 -10.071 1.00 0.56 O ATOM 1799 CB ASP A 116 11.255 -15.377 -9.816 1.00 0.49 C ATOM 1800 CG ASP A 116 9.790 -15.681 -9.574 1.00 1.08 C ATOM 1801 OD1 ASP A 116 9.392 -16.856 -9.714 1.00 1.23 O ATOM 1802 OD2 ASP A 116 9.026 -14.745 -9.264 1.00 1.89 O ATOM 0 H ASP A 116 11.469 -14.487 -7.517 1.00 0.38 H new ATOM 0 HA ASP A 116 11.865 -17.037 -8.585 1.00 0.46 H new ATOM 0 HB2 ASP A 116 11.401 -14.297 -9.815 1.00 0.49 H new ATOM 0 HB3 ASP A 116 11.536 -15.735 -10.806 1.00 0.49 H new ATOM 1807 N LYS A 117 14.414 -15.060 -8.903 1.00 0.43 N ATOM 1808 CA LYS A 117 15.791 -14.964 -9.380 1.00 0.49 C ATOM 1809 C LYS A 117 16.785 -15.457 -8.331 1.00 0.47 C ATOM 1810 O LYS A 117 17.966 -15.110 -8.377 1.00 0.52 O ATOM 1811 CB LYS A 117 16.107 -13.520 -9.773 1.00 0.53 C ATOM 1812 CG LYS A 117 15.238 -13.006 -10.907 1.00 0.61 C ATOM 1813 CD LYS A 117 15.444 -11.521 -11.138 1.00 1.20 C ATOM 1814 CE LYS A 117 14.478 -10.985 -12.182 1.00 1.32 C ATOM 1815 NZ LYS A 117 14.731 -11.564 -13.527 1.00 1.90 N ATOM 0 H LYS A 117 14.141 -14.327 -8.248 1.00 0.43 H new ATOM 0 HA LYS A 117 15.890 -15.606 -10.255 1.00 0.49 H new ATOM 0 HB2 LYS A 117 15.976 -12.876 -8.903 1.00 0.53 H new ATOM 0 HB3 LYS A 117 17.155 -13.451 -10.066 1.00 0.53 H new ATOM 0 HG2 LYS A 117 15.470 -13.553 -11.821 1.00 0.61 H new ATOM 0 HG3 LYS A 117 14.190 -13.197 -10.679 1.00 0.61 H new ATOM 0 HD2 LYS A 117 15.305 -10.982 -10.201 1.00 1.20 H new ATOM 0 HD3 LYS A 117 16.469 -11.340 -11.461 1.00 1.20 H new ATOM 0 HE2 LYS A 117 13.455 -11.209 -11.878 1.00 1.32 H new ATOM 0 HE3 LYS A 117 14.565 -9.900 -12.233 1.00 1.32 H new ATOM 0 HZ1 LYS A 117 14.107 -11.109 -14.224 1.00 1.90 H new ATOM 0 HZ2 LYS A 117 15.723 -11.402 -13.793 1.00 1.90 H new ATOM 0 HZ3 LYS A 117 14.540 -12.586 -13.506 1.00 1.90 H new ATOM 1829 N GLU A 118 16.294 -16.263 -7.388 1.00 0.45 N ATOM 1830 CA GLU A 118 17.144 -16.924 -6.390 1.00 0.49 C ATOM 1831 C GLU A 118 17.777 -15.911 -5.440 1.00 0.45 C ATOM 1832 O GLU A 118 18.834 -16.156 -4.856 1.00 0.55 O ATOM 1833 CB GLU A 118 18.233 -17.758 -7.078 1.00 0.59 C ATOM 1834 CG GLU A 118 17.688 -18.804 -8.038 1.00 1.07 C ATOM 1835 CD GLU A 118 16.829 -19.840 -7.348 1.00 1.72 C ATOM 1836 OE1 GLU A 118 17.385 -20.829 -6.829 1.00 1.89 O ATOM 1837 OE2 GLU A 118 15.590 -19.673 -7.317 1.00 2.54 O ATOM 0 H GLU A 118 15.301 -16.477 -7.293 1.00 0.45 H new ATOM 0 HA GLU A 118 16.510 -17.587 -5.802 1.00 0.49 H new ATOM 0 HB2 GLU A 118 18.900 -17.090 -7.623 1.00 0.59 H new ATOM 0 HB3 GLU A 118 18.833 -18.255 -6.316 1.00 0.59 H new ATOM 0 HG2 GLU A 118 17.102 -18.310 -8.813 1.00 1.07 H new ATOM 0 HG3 GLU A 118 18.520 -19.302 -8.537 1.00 1.07 H new ATOM 1844 N MET A 119 17.109 -14.785 -5.266 1.00 0.35 N ATOM 1845 CA MET A 119 17.597 -13.732 -4.393 1.00 0.33 C ATOM 1846 C MET A 119 16.717 -13.640 -3.150 1.00 0.31 C ATOM 1847 O MET A 119 16.082 -12.616 -2.887 1.00 0.27 O ATOM 1848 CB MET A 119 17.623 -12.392 -5.137 1.00 0.34 C ATOM 1849 CG MET A 119 18.397 -12.444 -6.446 1.00 0.41 C ATOM 1850 SD MET A 119 18.485 -10.853 -7.289 1.00 0.47 S ATOM 1851 CE MET A 119 16.752 -10.435 -7.438 1.00 0.44 C ATOM 0 H MET A 119 16.221 -14.575 -5.721 1.00 0.35 H new ATOM 0 HA MET A 119 18.615 -13.970 -4.084 1.00 0.33 H new ATOM 0 HB2 MET A 119 16.599 -12.078 -5.341 1.00 0.34 H new ATOM 0 HB3 MET A 119 18.066 -11.634 -4.491 1.00 0.34 H new ATOM 0 HG2 MET A 119 19.409 -12.798 -6.248 1.00 0.41 H new ATOM 0 HG3 MET A 119 17.928 -13.172 -7.108 1.00 0.41 H new ATOM 0 HE1 MET A 119 16.596 -9.845 -8.341 1.00 0.44 H new ATOM 0 HE2 MET A 119 16.161 -11.349 -7.495 1.00 0.44 H new ATOM 0 HE3 MET A 119 16.441 -9.856 -6.569 1.00 0.44 H new ATOM 1861 N GLN A 120 16.685 -14.729 -2.388 1.00 0.36 N ATOM 1862 CA GLN A 120 15.843 -14.821 -1.197 1.00 0.39 C ATOM 1863 C GLN A 120 16.330 -13.887 -0.095 1.00 0.41 C ATOM 1864 O GLN A 120 15.598 -13.583 0.844 1.00 0.47 O ATOM 1865 CB GLN A 120 15.803 -16.257 -0.671 1.00 0.49 C ATOM 1866 CG GLN A 120 15.136 -17.251 -1.616 1.00 0.53 C ATOM 1867 CD GLN A 120 15.163 -18.671 -1.074 1.00 0.65 C ATOM 1868 OE1 GLN A 120 15.167 -18.885 0.138 1.00 0.71 O ATOM 1869 NE2 GLN A 120 15.162 -19.651 -1.965 1.00 0.70 N ATOM 0 H GLN A 120 17.236 -15.567 -2.575 1.00 0.36 H new ATOM 0 HA GLN A 120 14.838 -14.517 -1.488 1.00 0.39 H new ATOM 0 HB2 GLN A 120 16.823 -16.588 -0.474 1.00 0.49 H new ATOM 0 HB3 GLN A 120 15.274 -16.268 0.282 1.00 0.49 H new ATOM 0 HG2 GLN A 120 14.103 -16.949 -1.786 1.00 0.53 H new ATOM 0 HG3 GLN A 120 15.639 -17.224 -2.582 1.00 0.53 H new ATOM 0 HE21 GLN A 120 15.159 -19.434 -2.962 1.00 0.70 H new ATOM 0 HE22 GLN A 120 15.165 -20.623 -1.654 1.00 0.70 H new ATOM 1878 N VAL A 121 17.570 -13.442 -0.193 1.00 0.39 N ATOM 1879 CA VAL A 121 18.091 -12.479 0.761 1.00 0.44 C ATOM 1880 C VAL A 121 17.690 -11.064 0.364 1.00 0.38 C ATOM 1881 O VAL A 121 17.559 -10.180 1.208 1.00 0.47 O ATOM 1882 CB VAL A 121 19.622 -12.569 0.900 1.00 0.52 C ATOM 1883 CG1 VAL A 121 20.019 -13.889 1.539 1.00 0.98 C ATOM 1884 CG2 VAL A 121 20.303 -12.402 -0.448 1.00 0.92 C ATOM 0 H VAL A 121 18.230 -13.729 -0.916 1.00 0.39 H new ATOM 0 HA VAL A 121 17.655 -12.722 1.730 1.00 0.44 H new ATOM 0 HB VAL A 121 19.952 -11.756 1.546 1.00 0.52 H new ATOM 0 HG11 VAL A 121 21.104 -13.937 1.630 1.00 0.98 H new ATOM 0 HG12 VAL A 121 19.568 -13.964 2.528 1.00 0.98 H new ATOM 0 HG13 VAL A 121 19.670 -14.714 0.917 1.00 0.98 H new ATOM 0 HG21 VAL A 121 21.383 -12.470 -0.321 1.00 0.92 H new ATOM 0 HG22 VAL A 121 19.967 -13.188 -1.125 1.00 0.92 H new ATOM 0 HG23 VAL A 121 20.047 -11.429 -0.867 1.00 0.92 H new ATOM 1894 N LEU A 122 17.454 -10.861 -0.925 1.00 0.30 N ATOM 1895 CA LEU A 122 17.087 -9.548 -1.426 1.00 0.27 C ATOM 1896 C LEU A 122 15.629 -9.231 -1.145 1.00 0.23 C ATOM 1897 O LEU A 122 15.301 -8.100 -0.798 1.00 0.23 O ATOM 1898 CB LEU A 122 17.391 -9.409 -2.918 1.00 0.28 C ATOM 1899 CG LEU A 122 18.803 -8.921 -3.243 1.00 0.37 C ATOM 1900 CD1 LEU A 122 19.845 -9.888 -2.719 1.00 0.39 C ATOM 1901 CD2 LEU A 122 18.963 -8.729 -4.735 1.00 0.41 C ATOM 0 H LEU A 122 17.510 -11.587 -1.639 1.00 0.30 H new ATOM 0 HA LEU A 122 17.698 -8.822 -0.890 1.00 0.27 H new ATOM 0 HB2 LEU A 122 17.237 -10.376 -3.397 1.00 0.28 H new ATOM 0 HB3 LEU A 122 16.673 -8.717 -3.358 1.00 0.28 H new ATOM 0 HG LEU A 122 18.953 -7.961 -2.749 1.00 0.37 H new ATOM 0 HD11 LEU A 122 20.841 -9.518 -2.963 1.00 0.39 H new ATOM 0 HD12 LEU A 122 19.747 -9.978 -1.637 1.00 0.39 H new ATOM 0 HD13 LEU A 122 19.698 -10.865 -3.179 1.00 0.39 H new ATOM 0 HD21 LEU A 122 19.973 -8.381 -4.951 1.00 0.41 H new ATOM 0 HD22 LEU A 122 18.789 -9.677 -5.245 1.00 0.41 H new ATOM 0 HD23 LEU A 122 18.242 -7.990 -5.086 1.00 0.41 H new ATOM 1913 N VAL A 123 14.757 -10.228 -1.261 1.00 0.23 N ATOM 1914 CA VAL A 123 13.337 -10.029 -0.989 1.00 0.25 C ATOM 1915 C VAL A 123 13.125 -9.495 0.426 1.00 0.27 C ATOM 1916 O VAL A 123 12.253 -8.658 0.669 1.00 0.31 O ATOM 1917 CB VAL A 123 12.520 -11.327 -1.192 1.00 0.28 C ATOM 1918 CG1 VAL A 123 13.067 -12.466 -0.353 1.00 0.31 C ATOM 1919 CG2 VAL A 123 11.057 -11.093 -0.868 1.00 0.31 C ATOM 0 H VAL A 123 15.007 -11.177 -1.540 1.00 0.23 H new ATOM 0 HA VAL A 123 12.976 -9.292 -1.706 1.00 0.25 H new ATOM 0 HB VAL A 123 12.609 -11.610 -2.241 1.00 0.28 H new ATOM 0 HG11 VAL A 123 12.469 -13.362 -0.521 1.00 0.31 H new ATOM 0 HG12 VAL A 123 14.101 -12.662 -0.636 1.00 0.31 H new ATOM 0 HG13 VAL A 123 13.025 -12.194 0.702 1.00 0.31 H new ATOM 0 HG21 VAL A 123 10.499 -12.017 -1.017 1.00 0.31 H new ATOM 0 HG22 VAL A 123 10.961 -10.774 0.170 1.00 0.31 H new ATOM 0 HG23 VAL A 123 10.658 -10.319 -1.524 1.00 0.31 H new ATOM 1929 N SER A 124 13.960 -9.954 1.343 1.00 0.29 N ATOM 1930 CA SER A 124 13.866 -9.544 2.729 1.00 0.35 C ATOM 1931 C SER A 124 14.387 -8.120 2.911 1.00 0.34 C ATOM 1932 O SER A 124 13.781 -7.316 3.620 1.00 0.44 O ATOM 1933 CB SER A 124 14.647 -10.511 3.619 1.00 0.43 C ATOM 1934 OG SER A 124 14.537 -10.150 4.985 1.00 1.32 O ATOM 0 H SER A 124 14.713 -10.614 1.149 1.00 0.29 H new ATOM 0 HA SER A 124 12.816 -9.563 3.022 1.00 0.35 H new ATOM 0 HB2 SER A 124 14.272 -11.525 3.476 1.00 0.43 H new ATOM 0 HB3 SER A 124 15.696 -10.515 3.324 1.00 0.43 H new ATOM 0 HG SER A 124 15.044 -10.785 5.533 1.00 1.32 H new ATOM 1940 N ARG A 125 15.502 -7.797 2.260 1.00 0.28 N ATOM 1941 CA ARG A 125 16.090 -6.471 2.408 1.00 0.31 C ATOM 1942 C ARG A 125 15.270 -5.433 1.648 1.00 0.24 C ATOM 1943 O ARG A 125 15.368 -4.239 1.914 1.00 0.24 O ATOM 1944 CB ARG A 125 17.567 -6.450 1.980 1.00 0.41 C ATOM 1945 CG ARG A 125 17.818 -6.739 0.510 1.00 0.91 C ATOM 1946 CD ARG A 125 19.310 -6.866 0.223 1.00 0.74 C ATOM 1947 NE ARG A 125 19.955 -7.876 1.066 1.00 1.01 N ATOM 1948 CZ ARG A 125 21.257 -8.165 1.013 1.00 1.24 C ATOM 1949 NH1 ARG A 125 22.045 -7.532 0.151 1.00 1.28 N ATOM 1950 NH2 ARG A 125 21.771 -9.082 1.825 1.00 1.84 N ATOM 0 H ARG A 125 16.008 -8.424 1.635 1.00 0.28 H new ATOM 0 HA ARG A 125 16.066 -6.211 3.466 1.00 0.31 H new ATOM 0 HB2 ARG A 125 17.984 -5.471 2.218 1.00 0.41 H new ATOM 0 HB3 ARG A 125 18.112 -7.182 2.576 1.00 0.41 H new ATOM 0 HG2 ARG A 125 17.310 -7.660 0.225 1.00 0.91 H new ATOM 0 HG3 ARG A 125 17.394 -5.940 -0.099 1.00 0.91 H new ATOM 0 HD2 ARG A 125 19.455 -7.125 -0.826 1.00 0.74 H new ATOM 0 HD3 ARG A 125 19.792 -5.901 0.383 1.00 0.74 H new ATOM 0 HE ARG A 125 19.376 -8.388 1.732 1.00 1.01 H new ATOM 0 HH11 ARG A 125 21.655 -6.824 -0.471 1.00 1.28 H new ATOM 0 HH12 ARG A 125 23.040 -7.754 0.112 1.00 1.28 H new ATOM 0 HH21 ARG A 125 21.170 -9.567 2.491 1.00 1.84 H new ATOM 0 HH22 ARG A 125 22.766 -9.301 1.782 1.00 1.84 H new ATOM 1964 N ILE A 126 14.448 -5.895 0.713 1.00 0.21 N ATOM 1965 CA ILE A 126 13.472 -5.035 0.062 1.00 0.19 C ATOM 1966 C ILE A 126 12.511 -4.470 1.096 1.00 0.19 C ATOM 1967 O ILE A 126 12.313 -3.259 1.174 1.00 0.19 O ATOM 1968 CB ILE A 126 12.686 -5.805 -1.015 1.00 0.19 C ATOM 1969 CG1 ILE A 126 13.584 -6.055 -2.220 1.00 0.20 C ATOM 1970 CG2 ILE A 126 11.427 -5.054 -1.425 1.00 0.20 C ATOM 1971 CD1 ILE A 126 12.942 -6.906 -3.279 1.00 0.23 C ATOM 0 H ILE A 126 14.440 -6.862 0.390 1.00 0.21 H new ATOM 0 HA ILE A 126 14.007 -4.219 -0.424 1.00 0.19 H new ATOM 0 HB ILE A 126 12.371 -6.762 -0.599 1.00 0.19 H new ATOM 0 HG12 ILE A 126 13.867 -5.097 -2.657 1.00 0.20 H new ATOM 0 HG13 ILE A 126 14.502 -6.537 -1.885 1.00 0.20 H new ATOM 0 HG21 ILE A 126 10.895 -5.624 -2.187 1.00 0.20 H new ATOM 0 HG22 ILE A 126 10.783 -4.921 -0.555 1.00 0.20 H new ATOM 0 HG23 ILE A 126 11.700 -4.078 -1.827 1.00 0.20 H new ATOM 0 HD11 ILE A 126 13.638 -7.043 -4.107 1.00 0.23 H new ATOM 0 HD12 ILE A 126 12.683 -7.877 -2.858 1.00 0.23 H new ATOM 0 HD13 ILE A 126 12.039 -6.416 -3.642 1.00 0.23 H new ATOM 1983 N ALA A 127 11.924 -5.358 1.893 1.00 0.22 N ATOM 1984 CA ALA A 127 11.048 -4.951 2.983 1.00 0.25 C ATOM 1985 C ALA A 127 11.777 -4.014 3.933 1.00 0.24 C ATOM 1986 O ALA A 127 11.191 -3.071 4.465 1.00 0.26 O ATOM 1987 CB ALA A 127 10.534 -6.170 3.731 1.00 0.30 C ATOM 0 H ALA A 127 12.041 -6.367 1.802 1.00 0.22 H new ATOM 0 HA ALA A 127 10.197 -4.418 2.560 1.00 0.25 H new ATOM 0 HB1 ALA A 127 9.881 -5.850 4.543 1.00 0.30 H new ATOM 0 HB2 ALA A 127 9.976 -6.808 3.046 1.00 0.30 H new ATOM 0 HB3 ALA A 127 11.376 -6.727 4.141 1.00 0.30 H new ATOM 1993 N ALA A 128 13.062 -4.274 4.122 1.00 0.22 N ATOM 1994 CA ALA A 128 13.897 -3.437 4.965 1.00 0.23 C ATOM 1995 C ALA A 128 14.002 -2.028 4.391 1.00 0.19 C ATOM 1996 O ALA A 128 13.767 -1.049 5.098 1.00 0.19 O ATOM 1997 CB ALA A 128 15.275 -4.055 5.124 1.00 0.27 C ATOM 0 H ALA A 128 13.550 -5.064 3.699 1.00 0.22 H new ATOM 0 HA ALA A 128 13.434 -3.368 5.949 1.00 0.23 H new ATOM 0 HB1 ALA A 128 15.889 -3.416 5.758 1.00 0.27 H new ATOM 0 HB2 ALA A 128 15.182 -5.039 5.582 1.00 0.27 H new ATOM 0 HB3 ALA A 128 15.745 -4.154 4.145 1.00 0.27 H new ATOM 2003 N TRP A 129 14.334 -1.930 3.104 1.00 0.17 N ATOM 2004 CA TRP A 129 14.443 -0.629 2.440 1.00 0.17 C ATOM 2005 C TRP A 129 13.096 0.073 2.427 1.00 0.15 C ATOM 2006 O TRP A 129 13.016 1.282 2.639 1.00 0.18 O ATOM 2007 CB TRP A 129 14.940 -0.763 0.999 1.00 0.20 C ATOM 2008 CG TRP A 129 16.268 -1.435 0.867 1.00 0.24 C ATOM 2009 CD1 TRP A 129 17.297 -1.418 1.763 1.00 0.27 C ATOM 2010 CD2 TRP A 129 16.711 -2.214 -0.244 1.00 0.31 C ATOM 2011 NE1 TRP A 129 18.353 -2.148 1.275 1.00 0.33 N ATOM 2012 CE2 TRP A 129 18.017 -2.645 0.042 1.00 0.36 C ATOM 2013 CE3 TRP A 129 16.125 -2.588 -1.454 1.00 0.37 C ATOM 2014 CZ2 TRP A 129 18.746 -3.434 -0.841 1.00 0.45 C ATOM 2015 CZ3 TRP A 129 16.847 -3.371 -2.329 1.00 0.47 C ATOM 2016 CH2 TRP A 129 18.147 -3.788 -2.019 1.00 0.50 C ATOM 0 H TRP A 129 14.531 -2.730 2.503 1.00 0.17 H new ATOM 0 HA TRP A 129 15.168 -0.044 3.006 1.00 0.17 H new ATOM 0 HB2 TRP A 129 14.203 -1.324 0.424 1.00 0.20 H new ATOM 0 HB3 TRP A 129 15.003 0.230 0.555 1.00 0.20 H new ATOM 0 HD1 TRP A 129 17.283 -0.907 2.714 1.00 0.27 H new ATOM 0 HE1 TRP A 129 19.242 -2.296 1.752 1.00 0.33 H new ATOM 0 HE3 TRP A 129 15.123 -2.269 -1.701 1.00 0.37 H new ATOM 0 HZ2 TRP A 129 19.750 -3.756 -0.605 1.00 0.45 H new ATOM 0 HZ3 TRP A 129 16.403 -3.667 -3.268 1.00 0.47 H new ATOM 0 HH2 TRP A 129 18.688 -4.402 -2.724 1.00 0.50 H new ATOM 2027 N MET A 130 12.045 -0.697 2.174 1.00 0.16 N ATOM 2028 CA MET A 130 10.687 -0.171 2.167 1.00 0.21 C ATOM 2029 C MET A 130 10.358 0.450 3.514 1.00 0.19 C ATOM 2030 O MET A 130 9.904 1.589 3.590 1.00 0.21 O ATOM 2031 CB MET A 130 9.686 -1.284 1.861 1.00 0.29 C ATOM 2032 CG MET A 130 9.662 -1.738 0.409 1.00 0.33 C ATOM 2033 SD MET A 130 8.567 -0.734 -0.607 1.00 0.71 S ATOM 2034 CE MET A 130 7.019 -0.974 0.264 1.00 0.29 C ATOM 0 H MET A 130 12.109 -1.694 1.970 1.00 0.16 H new ATOM 0 HA MET A 130 10.619 0.592 1.392 1.00 0.21 H new ATOM 0 HB2 MET A 130 9.915 -2.143 2.492 1.00 0.29 H new ATOM 0 HB3 MET A 130 8.688 -0.942 2.137 1.00 0.29 H new ATOM 0 HG2 MET A 130 10.672 -1.695 0.001 1.00 0.33 H new ATOM 0 HG3 MET A 130 9.343 -2.779 0.362 1.00 0.33 H new ATOM 0 HE1 MET A 130 6.331 -1.538 -0.366 1.00 0.29 H new ATOM 0 HE2 MET A 130 7.202 -1.525 1.186 1.00 0.29 H new ATOM 0 HE3 MET A 130 6.581 -0.005 0.502 1.00 0.29 H new ATOM 2044 N ALA A 131 10.619 -0.301 4.579 1.00 0.18 N ATOM 2045 CA ALA A 131 10.354 0.162 5.931 1.00 0.20 C ATOM 2046 C ALA A 131 11.256 1.335 6.281 1.00 0.21 C ATOM 2047 O ALA A 131 10.831 2.279 6.942 1.00 0.23 O ATOM 2048 CB ALA A 131 10.548 -0.973 6.922 1.00 0.23 C ATOM 0 H ALA A 131 11.017 -1.239 4.528 1.00 0.18 H new ATOM 0 HA ALA A 131 9.319 0.499 5.986 1.00 0.20 H new ATOM 0 HB1 ALA A 131 10.347 -0.613 7.931 1.00 0.23 H new ATOM 0 HB2 ALA A 131 9.862 -1.786 6.683 1.00 0.23 H new ATOM 0 HB3 ALA A 131 11.574 -1.335 6.864 1.00 0.23 H new ATOM 2054 N THR A 132 12.500 1.267 5.827 1.00 0.22 N ATOM 2055 CA THR A 132 13.454 2.344 6.034 1.00 0.25 C ATOM 2056 C THR A 132 12.963 3.630 5.372 1.00 0.24 C ATOM 2057 O THR A 132 12.784 4.643 6.038 1.00 0.25 O ATOM 2058 CB THR A 132 14.848 1.973 5.479 1.00 0.31 C ATOM 2059 OG1 THR A 132 15.336 0.792 6.133 1.00 0.33 O ATOM 2060 CG2 THR A 132 15.838 3.110 5.681 1.00 0.37 C ATOM 0 H THR A 132 12.872 0.471 5.310 1.00 0.22 H new ATOM 0 HA THR A 132 13.541 2.504 7.109 1.00 0.25 H new ATOM 0 HB THR A 132 14.748 1.787 4.410 1.00 0.31 H new ATOM 0 HG1 THR A 132 14.962 -0.002 5.697 1.00 0.33 H new ATOM 0 HG21 THR A 132 16.810 2.821 5.281 1.00 0.37 H new ATOM 0 HG22 THR A 132 15.482 3.999 5.161 1.00 0.37 H new ATOM 0 HG23 THR A 132 15.933 3.325 6.745 1.00 0.37 H new ATOM 2068 N TYR A 133 12.725 3.578 4.067 1.00 0.23 N ATOM 2069 CA TYR A 133 12.289 4.756 3.324 1.00 0.24 C ATOM 2070 C TYR A 133 10.970 5.282 3.883 1.00 0.21 C ATOM 2071 O TYR A 133 10.797 6.489 4.054 1.00 0.23 O ATOM 2072 CB TYR A 133 12.139 4.427 1.834 1.00 0.27 C ATOM 2073 CG TYR A 133 11.773 5.618 0.976 1.00 0.33 C ATOM 2074 CD1 TYR A 133 12.759 6.422 0.417 1.00 0.42 C ATOM 2075 CD2 TYR A 133 10.445 5.937 0.718 1.00 0.36 C ATOM 2076 CE1 TYR A 133 12.432 7.508 -0.371 1.00 0.50 C ATOM 2077 CE2 TYR A 133 10.111 7.018 -0.072 1.00 0.45 C ATOM 2078 CZ TYR A 133 11.107 7.801 -0.612 1.00 0.51 C ATOM 2079 OH TYR A 133 10.779 8.872 -1.407 1.00 0.61 O ATOM 0 H TYR A 133 12.826 2.735 3.502 1.00 0.23 H new ATOM 0 HA TYR A 133 13.048 5.531 3.434 1.00 0.24 H new ATOM 0 HB2 TYR A 133 13.075 4.003 1.470 1.00 0.27 H new ATOM 0 HB3 TYR A 133 11.375 3.659 1.717 1.00 0.27 H new ATOM 0 HD1 TYR A 133 13.798 6.194 0.602 1.00 0.42 H new ATOM 0 HD2 TYR A 133 9.661 5.328 1.143 1.00 0.36 H new ATOM 0 HE1 TYR A 133 13.210 8.124 -0.796 1.00 0.50 H new ATOM 0 HE2 TYR A 133 9.074 7.249 -0.266 1.00 0.45 H new ATOM 0 HH TYR A 133 10.944 8.645 -2.346 1.00 0.61 H new ATOM 2089 N LEU A 134 10.057 4.367 4.184 1.00 0.20 N ATOM 2090 CA LEU A 134 8.757 4.724 4.731 1.00 0.20 C ATOM 2091 C LEU A 134 8.900 5.417 6.084 1.00 0.21 C ATOM 2092 O LEU A 134 8.333 6.478 6.300 1.00 0.24 O ATOM 2093 CB LEU A 134 7.888 3.467 4.851 1.00 0.20 C ATOM 2094 CG LEU A 134 6.589 3.617 5.643 1.00 0.22 C ATOM 2095 CD1 LEU A 134 5.687 4.662 5.015 1.00 0.26 C ATOM 2096 CD2 LEU A 134 5.870 2.281 5.728 1.00 0.26 C ATOM 0 H LEU A 134 10.196 3.365 4.057 1.00 0.20 H new ATOM 0 HA LEU A 134 8.273 5.428 4.054 1.00 0.20 H new ATOM 0 HB2 LEU A 134 7.639 3.126 3.846 1.00 0.20 H new ATOM 0 HB3 LEU A 134 8.484 2.682 5.316 1.00 0.20 H new ATOM 0 HG LEU A 134 6.840 3.948 6.651 1.00 0.22 H new ATOM 0 HD11 LEU A 134 4.770 4.749 5.598 1.00 0.26 H new ATOM 0 HD12 LEU A 134 6.200 5.624 5.000 1.00 0.26 H new ATOM 0 HD13 LEU A 134 5.442 4.366 3.995 1.00 0.26 H new ATOM 0 HD21 LEU A 134 4.946 2.400 6.294 1.00 0.26 H new ATOM 0 HD22 LEU A 134 5.637 1.929 4.723 1.00 0.26 H new ATOM 0 HD23 LEU A 134 6.511 1.554 6.228 1.00 0.26 H new ATOM 2108 N ASN A 135 9.685 4.834 6.974 1.00 0.24 N ATOM 2109 CA ASN A 135 9.837 5.370 8.325 1.00 0.29 C ATOM 2110 C ASN A 135 10.758 6.590 8.363 1.00 0.30 C ATOM 2111 O ASN A 135 10.556 7.509 9.154 1.00 0.33 O ATOM 2112 CB ASN A 135 10.364 4.274 9.259 1.00 0.37 C ATOM 2113 CG ASN A 135 10.772 4.801 10.624 1.00 0.92 C ATOM 2114 OD1 ASN A 135 9.931 5.004 11.499 1.00 1.17 O ATOM 2115 ND2 ASN A 135 12.070 4.982 10.829 1.00 1.46 N ATOM 0 H ASN A 135 10.228 3.990 6.790 1.00 0.24 H new ATOM 0 HA ASN A 135 8.855 5.701 8.664 1.00 0.29 H new ATOM 0 HB2 ASN A 135 9.595 3.512 9.385 1.00 0.37 H new ATOM 0 HB3 ASN A 135 11.221 3.788 8.792 1.00 0.37 H new ATOM 0 HD21 ASN A 135 12.403 5.301 11.739 1.00 1.46 H new ATOM 0 HD22 ASN A 135 12.735 4.802 10.077 1.00 1.46 H new ATOM 2122 N ASP A 136 11.763 6.605 7.510 1.00 0.32 N ATOM 2123 CA ASP A 136 12.773 7.660 7.548 1.00 0.37 C ATOM 2124 C ASP A 136 12.410 8.845 6.651 1.00 0.34 C ATOM 2125 O ASP A 136 12.363 9.985 7.106 1.00 0.36 O ATOM 2126 CB ASP A 136 14.138 7.096 7.147 1.00 0.46 C ATOM 2127 CG ASP A 136 15.228 8.138 7.180 1.00 1.19 C ATOM 2128 OD1 ASP A 136 15.804 8.363 8.262 1.00 1.27 O ATOM 2129 OD2 ASP A 136 15.506 8.745 6.127 1.00 2.07 O ATOM 0 H ASP A 136 11.907 5.905 6.783 1.00 0.32 H new ATOM 0 HA ASP A 136 12.816 8.030 8.572 1.00 0.37 H new ATOM 0 HB2 ASP A 136 14.401 6.279 7.819 1.00 0.46 H new ATOM 0 HB3 ASP A 136 14.073 6.675 6.144 1.00 0.46 H new ATOM 2134 N HIS A 137 12.156 8.575 5.378 1.00 0.33 N ATOM 2135 CA HIS A 137 11.930 9.645 4.402 1.00 0.35 C ATOM 2136 C HIS A 137 10.455 10.012 4.283 1.00 0.29 C ATOM 2137 O HIS A 137 10.102 11.187 4.235 1.00 0.32 O ATOM 2138 CB HIS A 137 12.469 9.245 3.021 1.00 0.45 C ATOM 2139 CG HIS A 137 13.889 9.654 2.769 1.00 0.63 C ATOM 2140 ND1 HIS A 137 14.918 9.438 3.661 1.00 1.07 N ATOM 2141 CD2 HIS A 137 14.447 10.279 1.705 1.00 1.53 C ATOM 2142 CE1 HIS A 137 16.041 9.910 3.156 1.00 0.95 C ATOM 2143 NE2 HIS A 137 15.784 10.424 1.972 1.00 1.34 N ATOM 0 H HIS A 137 12.100 7.632 4.993 1.00 0.33 H new ATOM 0 HA HIS A 137 12.469 10.520 4.766 1.00 0.35 H new ATOM 0 HB2 HIS A 137 12.391 8.163 2.913 1.00 0.45 H new ATOM 0 HB3 HIS A 137 11.834 9.689 2.254 1.00 0.45 H new ATOM 0 HD1 HIS A 137 14.825 8.984 4.570 1.00 1.07 H new ATOM 0 HD2 HIS A 137 13.934 10.603 0.812 1.00 1.53 H new ATOM 0 HE1 HIS A 137 17.009 9.880 3.634 1.00 0.95 H new ATOM 2152 N LEU A 138 9.603 9.001 4.242 1.00 0.26 N ATOM 2153 CA LEU A 138 8.192 9.188 3.929 1.00 0.25 C ATOM 2154 C LEU A 138 7.390 9.628 5.158 1.00 0.24 C ATOM 2155 O LEU A 138 6.517 10.491 5.062 1.00 0.25 O ATOM 2156 CB LEU A 138 7.641 7.880 3.362 1.00 0.23 C ATOM 2157 CG LEU A 138 6.252 7.950 2.738 1.00 0.23 C ATOM 2158 CD1 LEU A 138 6.221 8.975 1.616 1.00 0.26 C ATOM 2159 CD2 LEU A 138 5.851 6.579 2.220 1.00 0.22 C ATOM 0 H LEU A 138 9.866 8.032 4.423 1.00 0.26 H new ATOM 0 HA LEU A 138 8.096 9.984 3.191 1.00 0.25 H new ATOM 0 HB2 LEU A 138 8.337 7.513 2.608 1.00 0.23 H new ATOM 0 HB3 LEU A 138 7.620 7.141 4.163 1.00 0.23 H new ATOM 0 HG LEU A 138 5.538 8.262 3.500 1.00 0.23 H new ATOM 0 HD11 LEU A 138 5.221 9.010 1.183 1.00 0.26 H new ATOM 0 HD12 LEU A 138 6.480 9.957 2.013 1.00 0.26 H new ATOM 0 HD13 LEU A 138 6.940 8.694 0.846 1.00 0.26 H new ATOM 0 HD21 LEU A 138 4.858 6.634 1.775 1.00 0.22 H new ATOM 0 HD22 LEU A 138 6.568 6.250 1.467 1.00 0.22 H new ATOM 0 HD23 LEU A 138 5.840 5.867 3.045 1.00 0.22 H new ATOM 2171 N GLU A 139 7.704 9.029 6.303 1.00 0.26 N ATOM 2172 CA GLU A 139 7.030 9.320 7.573 1.00 0.29 C ATOM 2173 C GLU A 139 6.922 10.829 7.856 1.00 0.30 C ATOM 2174 O GLU A 139 5.832 11.307 8.178 1.00 0.30 O ATOM 2175 CB GLU A 139 7.760 8.616 8.722 1.00 0.36 C ATOM 2176 CG GLU A 139 7.081 8.738 10.079 1.00 0.52 C ATOM 2177 CD GLU A 139 5.788 7.955 10.165 1.00 1.00 C ATOM 2178 OE1 GLU A 139 5.844 6.717 10.300 1.00 1.46 O ATOM 2179 OE2 GLU A 139 4.706 8.575 10.065 1.00 1.74 O ATOM 0 H GLU A 139 8.437 8.324 6.381 1.00 0.26 H new ATOM 0 HA GLU A 139 6.011 8.940 7.493 1.00 0.29 H new ATOM 0 HB2 GLU A 139 7.862 7.559 8.476 1.00 0.36 H new ATOM 0 HB3 GLU A 139 8.768 9.024 8.798 1.00 0.36 H new ATOM 0 HG2 GLU A 139 7.764 8.388 10.854 1.00 0.52 H new ATOM 0 HG3 GLU A 139 6.877 9.789 10.284 1.00 0.52 H new ATOM 2186 N PRO A 140 8.031 11.610 7.752 1.00 0.33 N ATOM 2187 CA PRO A 140 7.988 13.061 7.989 1.00 0.36 C ATOM 2188 C PRO A 140 6.902 13.760 7.180 1.00 0.31 C ATOM 2189 O PRO A 140 6.312 14.735 7.640 1.00 0.36 O ATOM 2190 CB PRO A 140 9.371 13.545 7.550 1.00 0.42 C ATOM 2191 CG PRO A 140 10.255 12.365 7.734 1.00 0.42 C ATOM 2192 CD PRO A 140 9.404 11.159 7.433 1.00 0.35 C ATOM 0 HA PRO A 140 7.753 13.286 9.029 1.00 0.36 H new ATOM 0 HB2 PRO A 140 9.364 13.877 6.512 1.00 0.42 H new ATOM 0 HB3 PRO A 140 9.706 14.389 8.153 1.00 0.42 H new ATOM 0 HG2 PRO A 140 11.114 12.413 7.065 1.00 0.42 H new ATOM 0 HG3 PRO A 140 10.645 12.324 8.751 1.00 0.42 H new ATOM 0 HD2 PRO A 140 9.494 10.856 6.390 1.00 0.35 H new ATOM 0 HD3 PRO A 140 9.695 10.302 8.040 1.00 0.35 H new ATOM 2200 N TRP A 141 6.631 13.266 5.978 1.00 0.28 N ATOM 2201 CA TRP A 141 5.585 13.848 5.154 1.00 0.25 C ATOM 2202 C TRP A 141 4.225 13.307 5.584 1.00 0.22 C ATOM 2203 O TRP A 141 3.264 14.066 5.732 1.00 0.22 O ATOM 2204 CB TRP A 141 5.822 13.563 3.664 1.00 0.29 C ATOM 2205 CG TRP A 141 4.900 14.344 2.779 1.00 0.29 C ATOM 2206 CD1 TRP A 141 5.109 15.601 2.292 1.00 0.32 C ATOM 2207 CD2 TRP A 141 3.619 13.930 2.288 1.00 0.30 C ATOM 2208 NE1 TRP A 141 4.034 15.996 1.536 1.00 0.35 N ATOM 2209 CE2 TRP A 141 3.108 14.988 1.516 1.00 0.33 C ATOM 2210 CE3 TRP A 141 2.856 12.767 2.427 1.00 0.31 C ATOM 2211 CZ2 TRP A 141 1.867 14.919 0.889 1.00 0.36 C ATOM 2212 CZ3 TRP A 141 1.626 12.699 1.803 1.00 0.35 C ATOM 2213 CH2 TRP A 141 1.140 13.769 1.043 1.00 0.36 C ATOM 0 H TRP A 141 7.116 12.473 5.558 1.00 0.28 H new ATOM 0 HA TRP A 141 5.605 14.929 5.294 1.00 0.25 H new ATOM 0 HB2 TRP A 141 6.855 13.804 3.411 1.00 0.29 H new ATOM 0 HB3 TRP A 141 5.687 12.498 3.475 1.00 0.29 H new ATOM 0 HD1 TRP A 141 5.991 16.197 2.475 1.00 0.32 H new ATOM 0 HE1 TRP A 141 3.940 16.896 1.065 1.00 0.35 H new ATOM 0 HE3 TRP A 141 3.222 11.936 3.012 1.00 0.31 H new ATOM 0 HZ2 TRP A 141 1.491 15.744 0.302 1.00 0.36 H new ATOM 0 HZ3 TRP A 141 1.029 11.805 1.903 1.00 0.35 H new ATOM 0 HH2 TRP A 141 0.173 13.686 0.569 1.00 0.36 H new ATOM 2224 N ILE A 142 4.161 11.998 5.804 1.00 0.20 N ATOM 2225 CA ILE A 142 2.922 11.333 6.191 1.00 0.19 C ATOM 2226 C ILE A 142 2.348 11.940 7.468 1.00 0.20 C ATOM 2227 O ILE A 142 1.243 12.483 7.464 1.00 0.20 O ATOM 2228 CB ILE A 142 3.155 9.819 6.410 1.00 0.21 C ATOM 2229 CG1 ILE A 142 3.535 9.139 5.097 1.00 0.21 C ATOM 2230 CG2 ILE A 142 1.919 9.156 7.003 1.00 0.25 C ATOM 2231 CD1 ILE A 142 3.881 7.680 5.265 1.00 0.23 C ATOM 0 H ILE A 142 4.961 11.371 5.720 1.00 0.20 H new ATOM 0 HA ILE A 142 2.210 11.475 5.378 1.00 0.19 H new ATOM 0 HB ILE A 142 3.978 9.706 7.116 1.00 0.21 H new ATOM 0 HG12 ILE A 142 2.707 9.231 4.394 1.00 0.21 H new ATOM 0 HG13 ILE A 142 4.386 9.660 4.658 1.00 0.21 H new ATOM 0 HG21 ILE A 142 2.110 8.093 7.147 1.00 0.25 H new ATOM 0 HG22 ILE A 142 1.685 9.616 7.963 1.00 0.25 H new ATOM 0 HG23 ILE A 142 1.076 9.285 6.324 1.00 0.25 H new ATOM 0 HD11 ILE A 142 4.142 7.254 4.296 1.00 0.23 H new ATOM 0 HD12 ILE A 142 4.728 7.583 5.944 1.00 0.23 H new ATOM 0 HD13 ILE A 142 3.023 7.148 5.676 1.00 0.23 H new ATOM 2243 N GLN A 143 3.119 11.863 8.546 1.00 0.25 N ATOM 2244 CA GLN A 143 2.657 12.294 9.857 1.00 0.30 C ATOM 2245 C GLN A 143 2.348 13.790 9.875 1.00 0.29 C ATOM 2246 O GLN A 143 1.407 14.227 10.536 1.00 0.31 O ATOM 2247 CB GLN A 143 3.702 11.948 10.921 1.00 0.40 C ATOM 2248 CG GLN A 143 3.221 12.169 12.348 1.00 0.51 C ATOM 2249 CD GLN A 143 1.979 11.356 12.684 1.00 0.95 C ATOM 2250 OE1 GLN A 143 1.766 10.264 12.149 1.00 1.51 O ATOM 2251 NE2 GLN A 143 1.142 11.882 13.566 1.00 1.60 N ATOM 0 H GLN A 143 4.073 11.503 8.536 1.00 0.25 H new ATOM 0 HA GLN A 143 1.732 11.764 10.082 1.00 0.30 H new ATOM 0 HB2 GLN A 143 3.995 10.905 10.804 1.00 0.40 H new ATOM 0 HB3 GLN A 143 4.594 12.551 10.751 1.00 0.40 H new ATOM 0 HG2 GLN A 143 4.020 11.906 13.041 1.00 0.51 H new ATOM 0 HG3 GLN A 143 3.007 13.228 12.495 1.00 0.51 H new ATOM 0 HE21 GLN A 143 1.349 12.787 13.989 1.00 1.60 H new ATOM 0 HE22 GLN A 143 0.291 11.382 13.822 1.00 1.60 H new ATOM 2260 N GLU A 144 3.132 14.569 9.135 1.00 0.29 N ATOM 2261 CA GLU A 144 2.925 16.014 9.060 1.00 0.33 C ATOM 2262 C GLU A 144 1.583 16.340 8.404 1.00 0.29 C ATOM 2263 O GLU A 144 0.947 17.343 8.730 1.00 0.35 O ATOM 2264 CB GLU A 144 4.069 16.680 8.291 1.00 0.41 C ATOM 2265 CG GLU A 144 3.935 18.188 8.178 1.00 0.64 C ATOM 2266 CD GLU A 144 5.159 18.836 7.570 1.00 1.09 C ATOM 2267 OE1 GLU A 144 5.290 18.829 6.327 1.00 1.75 O ATOM 2268 OE2 GLU A 144 5.996 19.362 8.335 1.00 1.25 O ATOM 0 H GLU A 144 3.915 14.226 8.579 1.00 0.29 H new ATOM 0 HA GLU A 144 2.912 16.407 10.077 1.00 0.33 H new ATOM 0 HB2 GLU A 144 5.012 16.444 8.785 1.00 0.41 H new ATOM 0 HB3 GLU A 144 4.118 16.253 7.289 1.00 0.41 H new ATOM 0 HG2 GLU A 144 3.062 18.427 7.571 1.00 0.64 H new ATOM 0 HG3 GLU A 144 3.759 18.609 9.168 1.00 0.64 H new ATOM 2275 N ASN A 145 1.149 15.482 7.491 1.00 0.24 N ATOM 2276 CA ASN A 145 -0.137 15.663 6.825 1.00 0.28 C ATOM 2277 C ASN A 145 -1.244 14.926 7.568 1.00 0.30 C ATOM 2278 O ASN A 145 -2.281 14.595 6.992 1.00 0.42 O ATOM 2279 CB ASN A 145 -0.074 15.188 5.367 1.00 0.32 C ATOM 2280 CG ASN A 145 0.647 16.172 4.462 1.00 0.34 C ATOM 2281 OD1 ASN A 145 0.027 17.064 3.881 1.00 0.40 O ATOM 2282 ND2 ASN A 145 1.955 16.021 4.328 1.00 0.33 N ATOM 0 H ASN A 145 1.666 14.655 7.194 1.00 0.24 H new ATOM 0 HA ASN A 145 -0.364 16.729 6.832 1.00 0.28 H new ATOM 0 HB2 ASN A 145 0.432 14.223 5.325 1.00 0.32 H new ATOM 0 HB3 ASN A 145 -1.087 15.033 4.995 1.00 0.32 H new ATOM 0 HD21 ASN A 145 2.483 16.655 3.728 1.00 0.33 H new ATOM 0 HD22 ASN A 145 2.435 15.271 4.825 1.00 0.33 H new ATOM 2289 N GLY A 146 -1.025 14.672 8.851 1.00 0.25 N ATOM 2290 CA GLY A 146 -2.056 14.072 9.679 1.00 0.30 C ATOM 2291 C GLY A 146 -1.829 12.597 9.917 1.00 0.30 C ATOM 2292 O GLY A 146 -2.432 12.003 10.810 1.00 0.41 O ATOM 0 H GLY A 146 -0.150 14.871 9.336 1.00 0.25 H new ATOM 0 HA2 GLY A 146 -2.093 14.589 10.638 1.00 0.30 H new ATOM 0 HA3 GLY A 146 -3.026 14.214 9.203 1.00 0.30 H new ATOM 2296 N GLY A 147 -0.964 12.004 9.117 1.00 0.24 N ATOM 2297 CA GLY A 147 -0.680 10.596 9.249 1.00 0.22 C ATOM 2298 C GLY A 147 -1.566 9.761 8.354 1.00 0.19 C ATOM 2299 O GLY A 147 -2.249 10.292 7.472 1.00 0.20 O ATOM 0 H GLY A 147 -0.450 12.476 8.373 1.00 0.24 H new ATOM 0 HA2 GLY A 147 0.365 10.411 9.001 1.00 0.22 H new ATOM 0 HA3 GLY A 147 -0.821 10.292 10.286 1.00 0.22 H new ATOM 2303 N TRP A 148 -1.567 8.459 8.586 1.00 0.20 N ATOM 2304 CA TRP A 148 -2.374 7.538 7.800 1.00 0.21 C ATOM 2305 C TRP A 148 -3.858 7.829 7.971 1.00 0.23 C ATOM 2306 O TRP A 148 -4.649 7.552 7.078 1.00 0.25 O ATOM 2307 CB TRP A 148 -2.079 6.089 8.190 1.00 0.23 C ATOM 2308 CG TRP A 148 -0.673 5.667 7.887 1.00 0.23 C ATOM 2309 CD1 TRP A 148 0.326 5.411 8.786 1.00 0.28 C ATOM 2310 CD2 TRP A 148 -0.105 5.461 6.590 1.00 0.22 C ATOM 2311 NE1 TRP A 148 1.470 5.047 8.124 1.00 0.29 N ATOM 2312 CE2 TRP A 148 1.232 5.072 6.778 1.00 0.25 C ATOM 2313 CE3 TRP A 148 -0.600 5.563 5.286 1.00 0.22 C ATOM 2314 CZ2 TRP A 148 2.080 4.784 5.717 1.00 0.26 C ATOM 2315 CZ3 TRP A 148 0.247 5.278 4.231 1.00 0.23 C ATOM 2316 CH2 TRP A 148 1.574 4.890 4.454 1.00 0.24 C ATOM 0 H TRP A 148 -1.014 8.013 9.318 1.00 0.20 H new ATOM 0 HA TRP A 148 -2.111 7.680 6.752 1.00 0.21 H new ATOM 0 HB2 TRP A 148 -2.267 5.962 9.256 1.00 0.23 H new ATOM 0 HB3 TRP A 148 -2.770 5.431 7.663 1.00 0.23 H new ATOM 0 HD1 TRP A 148 0.228 5.485 9.859 1.00 0.28 H new ATOM 0 HE1 TRP A 148 2.356 4.798 8.565 1.00 0.29 H new ATOM 0 HE3 TRP A 148 -1.623 5.858 5.107 1.00 0.22 H new ATOM 0 HZ2 TRP A 148 3.104 4.486 5.885 1.00 0.26 H new ATOM 0 HZ3 TRP A 148 -0.121 5.356 3.219 1.00 0.23 H new ATOM 0 HH2 TRP A 148 2.210 4.670 3.609 1.00 0.24 H new ATOM 2327 N ASP A 149 -4.224 8.411 9.112 1.00 0.26 N ATOM 2328 CA ASP A 149 -5.622 8.757 9.392 1.00 0.31 C ATOM 2329 C ASP A 149 -6.207 9.615 8.275 1.00 0.30 C ATOM 2330 O ASP A 149 -7.402 9.547 7.988 1.00 0.37 O ATOM 2331 CB ASP A 149 -5.750 9.494 10.731 1.00 0.40 C ATOM 2332 CG ASP A 149 -5.382 8.624 11.913 1.00 1.24 C ATOM 2333 OD1 ASP A 149 -6.228 7.820 12.353 1.00 1.96 O ATOM 2334 OD2 ASP A 149 -4.242 8.741 12.410 1.00 1.94 O ATOM 0 H ASP A 149 -3.574 8.654 9.859 1.00 0.26 H new ATOM 0 HA ASP A 149 -6.183 7.824 9.450 1.00 0.31 H new ATOM 0 HB2 ASP A 149 -5.108 10.375 10.719 1.00 0.40 H new ATOM 0 HB3 ASP A 149 -6.774 9.848 10.850 1.00 0.40 H new ATOM 2339 N THR A 150 -5.356 10.408 7.643 1.00 0.27 N ATOM 2340 CA THR A 150 -5.763 11.225 6.511 1.00 0.29 C ATOM 2341 C THR A 150 -5.945 10.356 5.270 1.00 0.28 C ATOM 2342 O THR A 150 -6.997 10.374 4.631 1.00 0.33 O ATOM 2343 CB THR A 150 -4.706 12.308 6.227 1.00 0.33 C ATOM 2344 OG1 THR A 150 -4.458 13.067 7.419 1.00 0.38 O ATOM 2345 CG2 THR A 150 -5.157 13.240 5.113 1.00 0.37 C ATOM 0 H THR A 150 -4.373 10.503 7.897 1.00 0.27 H new ATOM 0 HA THR A 150 -6.711 11.704 6.756 1.00 0.29 H new ATOM 0 HB THR A 150 -3.790 11.812 5.907 1.00 0.33 H new ATOM 0 HG1 THR A 150 -3.585 13.507 7.351 1.00 0.38 H new ATOM 0 HG21 THR A 150 -4.390 13.993 4.936 1.00 0.37 H new ATOM 0 HG22 THR A 150 -5.319 12.665 4.201 1.00 0.37 H new ATOM 0 HG23 THR A 150 -6.087 13.730 5.403 1.00 0.37 H new ATOM 2353 N PHE A 151 -4.917 9.574 4.956 1.00 0.24 N ATOM 2354 CA PHE A 151 -4.902 8.749 3.752 1.00 0.25 C ATOM 2355 C PHE A 151 -6.024 7.710 3.780 1.00 0.26 C ATOM 2356 O PHE A 151 -6.689 7.472 2.771 1.00 0.30 O ATOM 2357 CB PHE A 151 -3.536 8.063 3.621 1.00 0.25 C ATOM 2358 CG PHE A 151 -3.383 7.232 2.380 1.00 0.27 C ATOM 2359 CD1 PHE A 151 -3.457 7.814 1.128 1.00 0.39 C ATOM 2360 CD2 PHE A 151 -3.153 5.872 2.467 1.00 0.26 C ATOM 2361 CE1 PHE A 151 -3.309 7.054 -0.015 1.00 0.43 C ATOM 2362 CE2 PHE A 151 -3.005 5.106 1.330 1.00 0.28 C ATOM 2363 CZ PHE A 151 -3.084 5.696 0.086 1.00 0.34 C ATOM 0 H PHE A 151 -4.075 9.494 5.525 1.00 0.24 H new ATOM 0 HA PHE A 151 -5.069 9.390 2.886 1.00 0.25 H new ATOM 0 HB2 PHE A 151 -2.756 8.825 3.633 1.00 0.25 H new ATOM 0 HB3 PHE A 151 -3.375 7.428 4.492 1.00 0.25 H new ATOM 0 HD1 PHE A 151 -3.633 8.876 1.043 1.00 0.39 H new ATOM 0 HD2 PHE A 151 -3.088 5.403 3.438 1.00 0.26 H new ATOM 0 HE1 PHE A 151 -3.369 7.521 -0.987 1.00 0.43 H new ATOM 0 HE2 PHE A 151 -2.827 4.044 1.414 1.00 0.28 H new ATOM 0 HZ PHE A 151 -2.970 5.098 -0.806 1.00 0.34 H new ATOM 2373 N VAL A 152 -6.240 7.112 4.945 1.00 0.25 N ATOM 2374 CA VAL A 152 -7.273 6.098 5.112 1.00 0.29 C ATOM 2375 C VAL A 152 -8.662 6.710 4.964 1.00 0.35 C ATOM 2376 O VAL A 152 -9.591 6.064 4.485 1.00 0.45 O ATOM 2377 CB VAL A 152 -7.147 5.402 6.484 1.00 0.29 C ATOM 2378 CG1 VAL A 152 -8.209 4.331 6.656 1.00 0.35 C ATOM 2379 CG2 VAL A 152 -5.759 4.802 6.646 1.00 0.28 C ATOM 0 H VAL A 152 -5.710 7.314 5.793 1.00 0.25 H new ATOM 0 HA VAL A 152 -7.134 5.352 4.330 1.00 0.29 H new ATOM 0 HB VAL A 152 -7.299 6.154 7.259 1.00 0.29 H new ATOM 0 HG11 VAL A 152 -8.095 3.859 7.632 1.00 0.35 H new ATOM 0 HG12 VAL A 152 -9.198 4.784 6.586 1.00 0.35 H new ATOM 0 HG13 VAL A 152 -8.098 3.580 5.874 1.00 0.35 H new ATOM 0 HG21 VAL A 152 -5.685 4.315 7.618 1.00 0.28 H new ATOM 0 HG22 VAL A 152 -5.585 4.069 5.858 1.00 0.28 H new ATOM 0 HG23 VAL A 152 -5.011 5.592 6.578 1.00 0.28 H new ATOM 2389 N GLU A 153 -8.794 7.964 5.366 1.00 0.37 N ATOM 2390 CA GLU A 153 -10.052 8.679 5.220 1.00 0.46 C ATOM 2391 C GLU A 153 -10.306 9.009 3.749 1.00 0.51 C ATOM 2392 O GLU A 153 -11.415 8.837 3.245 1.00 0.62 O ATOM 2393 CB GLU A 153 -10.028 9.962 6.056 1.00 0.52 C ATOM 2394 CG GLU A 153 -11.387 10.632 6.203 1.00 0.70 C ATOM 2395 CD GLU A 153 -12.386 9.764 6.942 1.00 1.35 C ATOM 2396 OE1 GLU A 153 -12.198 9.530 8.155 1.00 1.42 O ATOM 2397 OE2 GLU A 153 -13.357 9.299 6.317 1.00 2.17 O ATOM 0 H GLU A 153 -8.046 8.508 5.796 1.00 0.37 H new ATOM 0 HA GLU A 153 -10.861 8.043 5.578 1.00 0.46 H new ATOM 0 HB2 GLU A 153 -9.640 9.730 7.048 1.00 0.52 H new ATOM 0 HB3 GLU A 153 -9.334 10.668 5.599 1.00 0.52 H new ATOM 0 HG2 GLU A 153 -11.267 11.576 6.735 1.00 0.70 H new ATOM 0 HG3 GLU A 153 -11.779 10.871 5.215 1.00 0.70 H new ATOM 2404 N LEU A 154 -9.261 9.455 3.058 1.00 0.50 N ATOM 2405 CA LEU A 154 -9.378 9.860 1.657 1.00 0.59 C ATOM 2406 C LEU A 154 -9.708 8.675 0.749 1.00 0.68 C ATOM 2407 O LEU A 154 -10.500 8.803 -0.185 1.00 0.74 O ATOM 2408 CB LEU A 154 -8.087 10.535 1.183 1.00 0.65 C ATOM 2409 CG LEU A 154 -7.714 11.822 1.921 1.00 0.64 C ATOM 2410 CD1 LEU A 154 -6.381 12.352 1.418 1.00 0.75 C ATOM 2411 CD2 LEU A 154 -8.801 12.872 1.749 1.00 0.67 C ATOM 0 H LEU A 154 -8.321 9.546 3.444 1.00 0.50 H new ATOM 0 HA LEU A 154 -10.201 10.572 1.594 1.00 0.59 H new ATOM 0 HB2 LEU A 154 -7.266 9.825 1.286 1.00 0.65 H new ATOM 0 HB3 LEU A 154 -8.183 10.759 0.121 1.00 0.65 H new ATOM 0 HG LEU A 154 -7.620 11.595 2.983 1.00 0.64 H new ATOM 0 HD11 LEU A 154 -6.129 13.268 1.952 1.00 0.75 H new ATOM 0 HD12 LEU A 154 -5.605 11.606 1.590 1.00 0.75 H new ATOM 0 HD13 LEU A 154 -6.452 12.562 0.351 1.00 0.75 H new ATOM 0 HD21 LEU A 154 -8.517 13.780 2.281 1.00 0.67 H new ATOM 0 HD22 LEU A 154 -8.926 13.096 0.690 1.00 0.67 H new ATOM 0 HD23 LEU A 154 -9.740 12.493 2.153 1.00 0.67 H new ATOM 2444 N GLY A 156 -10.995 5.800 1.897 1.00 0.89 N ATOM 2445 CA GLY A 156 -11.878 4.923 2.651 1.00 1.02 C ATOM 2446 C GLY A 156 -13.135 4.566 1.878 1.00 1.11 C ATOM 2447 O GLY A 156 -14.246 4.887 2.295 1.00 1.68 O ATOM 0 HA2 GLY A 156 -11.343 4.010 2.912 1.00 1.02 H new ATOM 0 HA3 GLY A 156 -12.155 5.408 3.587 1.00 1.02 H new ATOM 2451 N ASN A 157 -12.961 3.899 0.745 1.00 1.62 N ATOM 2452 CA ASN A 157 -14.086 3.533 -0.105 1.00 2.05 C ATOM 2453 C ASN A 157 -14.563 2.123 0.209 1.00 2.33 C ATOM 2454 O ASN A 157 -15.569 1.664 -0.333 1.00 2.52 O ATOM 2455 CB ASN A 157 -13.702 3.621 -1.584 1.00 3.21 C ATOM 2456 CG ASN A 157 -13.199 4.993 -1.990 1.00 3.90 C ATOM 2457 OD1 ASN A 157 -13.595 6.012 -1.422 1.00 4.30 O ATOM 2458 ND2 ASN A 157 -12.326 5.025 -2.985 1.00 4.60 N ATOM 0 H ASN A 157 -12.051 3.600 0.393 1.00 1.62 H new ATOM 0 HA ASN A 157 -14.894 4.237 0.096 1.00 2.05 H new ATOM 0 HB2 ASN A 157 -12.931 2.881 -1.797 1.00 3.21 H new ATOM 0 HB3 ASN A 157 -14.568 3.364 -2.194 1.00 3.21 H new ATOM 0 HD21 ASN A 157 -11.955 5.918 -3.309 1.00 4.60 H new ATOM 0 HD22 ASN A 157 -12.025 4.157 -3.427 1.00 4.60 H new ATOM 2465 N ASN A 158 -13.842 1.440 1.087 1.00 2.99 N ATOM 2466 CA ASN A 158 -14.170 0.064 1.443 1.00 4.03 C ATOM 2467 C ASN A 158 -15.467 0.008 2.241 1.00 4.18 C ATOM 2468 O ASN A 158 -16.378 -0.750 1.906 1.00 4.81 O ATOM 2469 CB ASN A 158 -13.030 -0.573 2.240 1.00 5.08 C ATOM 2470 CG ASN A 158 -13.370 -1.970 2.731 1.00 5.98 C ATOM 2471 OD1 ASN A 158 -13.896 -2.141 3.831 1.00 6.22 O ATOM 2472 ND2 ASN A 158 -13.069 -2.977 1.925 1.00 6.76 N ATOM 0 H ASN A 158 -13.024 1.816 1.567 1.00 2.99 H new ATOM 0 HA ASN A 158 -14.307 -0.501 0.521 1.00 4.03 H new ATOM 0 HB2 ASN A 158 -12.137 -0.618 1.617 1.00 5.08 H new ATOM 0 HB3 ASN A 158 -12.791 0.060 3.094 1.00 5.08 H new ATOM 0 HD21 ASN A 158 -13.273 -3.935 2.208 1.00 6.76 H new ATOM 0 HD22 ASN A 158 -12.634 -2.794 1.021 1.00 6.76 H new ATOM 2479 N ALA A 159 -15.550 0.815 3.290 1.00 3.95 N ATOM 2480 CA ALA A 159 -16.758 0.886 4.105 1.00 4.72 C ATOM 2481 C ALA A 159 -17.922 1.437 3.291 1.00 4.66 C ATOM 2482 O ALA A 159 -19.061 0.986 3.421 1.00 5.63 O ATOM 2483 CB ALA A 159 -16.516 1.748 5.333 1.00 4.78 C ATOM 0 H ALA A 159 -14.796 1.430 3.598 1.00 3.95 H new ATOM 0 HA ALA A 159 -17.014 -0.122 4.431 1.00 4.72 H new ATOM 0 HB1 ALA A 159 -17.426 1.792 5.932 1.00 4.78 H new ATOM 0 HB2 ALA A 159 -15.711 1.316 5.928 1.00 4.78 H new ATOM 0 HB3 ALA A 159 -16.238 2.755 5.022 1.00 4.78 H new ATOM 2489 N ALA A 160 -17.614 2.405 2.434 1.00 3.75 N ATOM 2490 CA ALA A 160 -18.611 3.027 1.570 1.00 4.08 C ATOM 2491 C ALA A 160 -19.229 2.015 0.607 1.00 4.33 C ATOM 2492 O ALA A 160 -20.393 2.143 0.223 1.00 5.11 O ATOM 2493 CB ALA A 160 -17.982 4.174 0.795 1.00 3.59 C ATOM 0 H ALA A 160 -16.672 2.779 2.319 1.00 3.75 H new ATOM 0 HA ALA A 160 -19.411 3.413 2.202 1.00 4.08 H new ATOM 0 HB1 ALA A 160 -18.733 4.634 0.152 1.00 3.59 H new ATOM 0 HB2 ALA A 160 -17.598 4.918 1.493 1.00 3.59 H new ATOM 0 HB3 ALA A 160 -17.164 3.794 0.183 1.00 3.59 H new ATOM 2499 N ALA A 161 -18.450 1.006 0.226 1.00 3.93 N ATOM 2500 CA ALA A 161 -18.915 -0.020 -0.701 1.00 4.43 C ATOM 2501 C ALA A 161 -20.055 -0.839 -0.101 1.00 5.54 C ATOM 2502 O ALA A 161 -20.927 -1.323 -0.821 1.00 6.11 O ATOM 2503 CB ALA A 161 -17.767 -0.931 -1.108 1.00 4.39 C ATOM 0 H ALA A 161 -17.490 0.878 0.547 1.00 3.93 H new ATOM 0 HA ALA A 161 -19.296 0.484 -1.589 1.00 4.43 H new ATOM 0 HB1 ALA A 161 -18.133 -1.690 -1.800 1.00 4.39 H new ATOM 0 HB2 ALA A 161 -16.989 -0.342 -1.594 1.00 4.39 H new ATOM 0 HB3 ALA A 161 -17.355 -1.415 -0.222 1.00 4.39 H new ATOM 2509 N GLU A 162 -20.060 -0.970 1.222 1.00 5.98 N ATOM 2510 CA GLU A 162 -21.090 -1.745 1.911 1.00 7.23 C ATOM 2511 C GLU A 162 -22.438 -1.031 1.872 1.00 7.80 C ATOM 2512 O GLU A 162 -23.479 -1.638 2.121 1.00 8.75 O ATOM 2513 CB GLU A 162 -20.680 -2.014 3.359 1.00 7.72 C ATOM 2514 CG GLU A 162 -19.511 -2.973 3.483 1.00 7.99 C ATOM 2515 CD GLU A 162 -19.064 -3.177 4.915 1.00 8.68 C ATOM 2516 OE1 GLU A 162 -19.822 -3.791 5.696 1.00 9.03 O ATOM 2517 OE2 GLU A 162 -17.961 -2.709 5.274 1.00 9.09 O ATOM 0 H GLU A 162 -19.364 -0.551 1.839 1.00 5.98 H new ATOM 0 HA GLU A 162 -21.194 -2.697 1.390 1.00 7.23 H new ATOM 0 HB2 GLU A 162 -20.419 -1.070 3.837 1.00 7.72 H new ATOM 0 HB3 GLU A 162 -21.534 -2.420 3.902 1.00 7.72 H new ATOM 0 HG2 GLU A 162 -19.791 -3.936 3.055 1.00 7.99 H new ATOM 0 HG3 GLU A 162 -18.674 -2.594 2.897 1.00 7.99 H new ATOM 2524 N SER A 163 -22.416 0.255 1.553 1.00 7.39 N ATOM 2525 CA SER A 163 -23.640 1.032 1.460 1.00 8.21 C ATOM 2526 C SER A 163 -24.156 1.052 0.022 1.00 8.28 C ATOM 2527 O SER A 163 -25.190 1.649 -0.274 1.00 9.15 O ATOM 2528 CB SER A 163 -23.384 2.454 1.949 1.00 8.03 C ATOM 2529 OG SER A 163 -22.754 2.444 3.221 1.00 7.86 O ATOM 0 H SER A 163 -21.565 0.780 1.355 1.00 7.39 H new ATOM 0 HA SER A 163 -24.400 0.568 2.089 1.00 8.21 H new ATOM 0 HB2 SER A 163 -22.756 2.983 1.232 1.00 8.03 H new ATOM 0 HB3 SER A 163 -24.327 2.998 2.009 1.00 8.03 H new ATOM 0 HG SER A 163 -22.597 3.365 3.516 1.00 7.86 H new ATOM 2535 N ARG A 164 -23.427 0.390 -0.868 1.00 7.47 N ATOM 2536 CA ARG A 164 -23.790 0.344 -2.279 1.00 7.60 C ATOM 2537 C ARG A 164 -24.456 -0.982 -2.627 1.00 8.33 C ATOM 2538 O ARG A 164 -24.721 -1.269 -3.794 1.00 8.87 O ATOM 2539 CB ARG A 164 -22.549 0.550 -3.146 1.00 6.69 C ATOM 2540 CG ARG A 164 -21.820 1.848 -2.860 1.00 6.19 C ATOM 2541 CD ARG A 164 -20.576 1.986 -3.716 1.00 5.74 C ATOM 2542 NE ARG A 164 -19.800 3.173 -3.372 1.00 5.66 N ATOM 2543 CZ ARG A 164 -18.633 3.487 -3.931 1.00 5.62 C ATOM 2544 NH1 ARG A 164 -18.123 2.714 -4.881 1.00 5.62 N ATOM 2545 NH2 ARG A 164 -17.985 4.578 -3.547 1.00 6.02 N ATOM 0 H ARG A 164 -22.577 -0.124 -0.636 1.00 7.47 H new ATOM 0 HA ARG A 164 -24.502 1.146 -2.475 1.00 7.60 H new ATOM 0 HB2 ARG A 164 -21.864 -0.284 -2.990 1.00 6.69 H new ATOM 0 HB3 ARG A 164 -22.842 0.531 -4.196 1.00 6.69 H new ATOM 0 HG2 ARG A 164 -22.487 2.690 -3.047 1.00 6.19 H new ATOM 0 HG3 ARG A 164 -21.544 1.887 -1.806 1.00 6.19 H new ATOM 0 HD2 ARG A 164 -19.954 1.099 -3.595 1.00 5.74 H new ATOM 0 HD3 ARG A 164 -20.863 2.033 -4.766 1.00 5.74 H new ATOM 0 HE ARG A 164 -20.174 3.800 -2.660 1.00 5.66 H new ATOM 0 HH11 ARG A 164 -18.625 1.879 -5.183 1.00 5.62 H new ATOM 0 HH12 ARG A 164 -17.229 2.955 -5.309 1.00 5.62 H new ATOM 0 HH21 ARG A 164 -18.380 5.178 -2.823 1.00 6.02 H new ATOM 0 HH22 ARG A 164 -17.091 4.818 -3.976 1.00 6.02 H new ATOM 2559 N LYS A 165 -24.743 -1.779 -1.606 1.00 8.52 N ATOM 2560 CA LYS A 165 -25.300 -3.110 -1.810 1.00 9.41 C ATOM 2561 C LYS A 165 -26.795 -3.027 -2.103 1.00 10.47 C ATOM 2562 O LYS A 165 -27.351 -3.876 -2.799 1.00 11.24 O ATOM 2563 CB LYS A 165 -25.036 -3.987 -0.584 1.00 9.61 C ATOM 2564 CG LYS A 165 -23.569 -4.024 -0.185 1.00 9.69 C ATOM 2565 CD LYS A 165 -23.314 -4.988 0.962 1.00 10.12 C ATOM 2566 CE LYS A 165 -23.495 -6.433 0.528 1.00 10.34 C ATOM 2567 NZ LYS A 165 -23.151 -7.383 1.617 1.00 10.42 N ATOM 0 H LYS A 165 -24.599 -1.527 -0.628 1.00 8.52 H new ATOM 0 HA LYS A 165 -24.811 -3.564 -2.672 1.00 9.41 H new ATOM 0 HB2 LYS A 165 -25.626 -3.617 0.255 1.00 9.61 H new ATOM 0 HB3 LYS A 165 -25.377 -5.002 -0.790 1.00 9.61 H new ATOM 0 HG2 LYS A 165 -22.967 -4.317 -1.045 1.00 9.69 H new ATOM 0 HG3 LYS A 165 -23.247 -3.024 0.104 1.00 9.69 H new ATOM 0 HD2 LYS A 165 -22.302 -4.845 1.340 1.00 10.12 H new ATOM 0 HD3 LYS A 165 -23.995 -4.766 1.783 1.00 10.12 H new ATOM 0 HE2 LYS A 165 -24.528 -6.593 0.219 1.00 10.34 H new ATOM 0 HE3 LYS A 165 -22.868 -6.633 -0.341 1.00 10.34 H new ATOM 0 HZ1 LYS A 165 -23.287 -8.358 1.283 1.00 10.42 H new ATOM 0 HZ2 LYS A 165 -22.158 -7.248 1.895 1.00 10.42 H new ATOM 0 HZ3 LYS A 165 -23.767 -7.209 2.437 1.00 10.42 H new ATOM 2581 N GLY A 166 -27.438 -1.988 -1.581 1.00 10.61 N ATOM 2582 CA GLY A 166 -28.834 -1.745 -1.893 1.00 11.72 C ATOM 2583 C GLY A 166 -29.030 -1.456 -3.367 1.00 12.02 C ATOM 2584 O GLY A 166 -30.042 -1.830 -3.957 1.00 13.02 O ATOM 0 H GLY A 166 -27.017 -1.309 -0.947 1.00 10.61 H new ATOM 0 HA2 GLY A 166 -29.428 -2.614 -1.609 1.00 11.72 H new ATOM 0 HA3 GLY A 166 -29.199 -0.903 -1.304 1.00 11.72 H new ATOM 2588 N GLN A 167 -28.040 -0.803 -3.962 1.00 11.25 N ATOM 2589 CA GLN A 167 -28.042 -0.541 -5.396 1.00 11.64 C ATOM 2590 C GLN A 167 -28.007 -1.859 -6.161 1.00 12.01 C ATOM 2591 O GLN A 167 -28.713 -2.035 -7.156 1.00 12.84 O ATOM 2592 CB GLN A 167 -26.836 0.327 -5.779 1.00 10.86 C ATOM 2593 CG GLN A 167 -26.692 0.575 -7.272 1.00 11.50 C ATOM 2594 CD GLN A 167 -25.487 1.431 -7.600 1.00 11.89 C ATOM 2595 OE1 GLN A 167 -24.484 1.414 -6.885 1.00 11.87 O ATOM 2596 NE2 GLN A 167 -25.573 2.182 -8.686 1.00 12.41 N ATOM 0 H GLN A 167 -27.221 -0.443 -3.471 1.00 11.25 H new ATOM 0 HA GLN A 167 -28.953 -0.003 -5.657 1.00 11.64 H new ATOM 0 HB2 GLN A 167 -26.918 1.287 -5.269 1.00 10.86 H new ATOM 0 HB3 GLN A 167 -25.928 -0.152 -5.413 1.00 10.86 H new ATOM 0 HG2 GLN A 167 -26.608 -0.380 -7.790 1.00 11.50 H new ATOM 0 HG3 GLN A 167 -27.593 1.062 -7.646 1.00 11.50 H new ATOM 0 HE21 GLN A 167 -26.422 2.167 -9.251 1.00 12.41 H new ATOM 0 HE22 GLN A 167 -24.790 2.776 -8.958 1.00 12.41 H new ATOM 2605 N GLU A 168 -27.195 -2.790 -5.671 1.00 11.51 N ATOM 2606 CA GLU A 168 -27.091 -4.112 -6.272 1.00 11.94 C ATOM 2607 C GLU A 168 -28.404 -4.864 -6.099 1.00 13.03 C ATOM 2608 O GLU A 168 -28.846 -5.591 -6.990 1.00 13.73 O ATOM 2609 CB GLU A 168 -25.961 -4.909 -5.622 1.00 11.38 C ATOM 2610 CG GLU A 168 -24.656 -4.141 -5.504 1.00 10.85 C ATOM 2611 CD GLU A 168 -23.540 -4.986 -4.929 1.00 10.80 C ATOM 2612 OE1 GLU A 168 -23.655 -5.404 -3.760 1.00 10.98 O ATOM 2613 OE2 GLU A 168 -22.546 -5.240 -5.643 1.00 10.74 O ATOM 0 H GLU A 168 -26.598 -2.651 -4.856 1.00 11.51 H new ATOM 0 HA GLU A 168 -26.875 -3.992 -7.334 1.00 11.94 H new ATOM 0 HB2 GLU A 168 -26.277 -5.224 -4.628 1.00 11.38 H new ATOM 0 HB3 GLU A 168 -25.787 -5.815 -6.203 1.00 11.38 H new ATOM 0 HG2 GLU A 168 -24.362 -3.776 -6.488 1.00 10.85 H new ATOM 0 HG3 GLU A 168 -24.808 -3.266 -4.872 1.00 10.85 H new