USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 860 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 57 HIS : no HD1:sc= -4.83! C(o=-5.4!,f=-7.4!) USER MOD Set 1.2: A 74 SER OG : rot -72:sc= 0.907 USER MOD Set 1.3: A 78 THR OG1 : rot 120:sc= -1.5! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -89:sc= 0.212 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.206 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -5.48! C(o=-5.5!,f=-9.5!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 32:sc= 1.03 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.165 K(o=-0.16,f=-0.89) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.08 K(o=-1.1,f=-6.7!) USER MOD Single : A 81 ASN : amide:sc= -0.164 K(o=-0.16,f=-4.6!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.018 X(o=-0.018,f=-0.019) USER MOD Single : A 89 THR OG1 : rot -13:sc= 0.196! USER MOD Single : A 90 SER OG : rot 28:sc= 0.473 USER MOD Single : A 92 ASN : amide:sc= -1.71 X(o=-1.7,f=-1.7!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 113:sc= -1.62 USER MOD Single : A 106 SER OG : rot -170:sc= -0.454 USER MOD Single : A 110 ASN : amide:sc= -4.96! C(o=-5!,f=-2.2!) USER MOD Single : A 113 SER OG : rot 153:sc= 1.43 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.060 -0.594 -9.161 1.00 0.00 N ATOM 2 CA GLY A 1 -31.294 -1.828 -9.183 1.00 0.00 C ATOM 3 C GLY A 1 -31.418 -2.575 -7.853 1.00 0.00 C ATOM 4 O GLY A 1 -31.275 -1.979 -6.787 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.959 -0.107 -10.074 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.063 -0.811 -8.993 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.707 0.020 -8.400 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.646 -2.464 -9.995 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.246 -1.606 -9.383 1.00 0.00 H new ATOM 8 N SER A 2 -31.683 -3.869 -7.960 1.00 0.00 N ATOM 9 CA SER A 2 -31.828 -4.703 -6.779 1.00 0.00 C ATOM 10 C SER A 2 -30.616 -5.627 -6.639 1.00 0.00 C ATOM 11 O SER A 2 -29.962 -5.952 -7.629 1.00 0.00 O ATOM 12 CB SER A 2 -33.117 -5.524 -6.840 1.00 0.00 C ATOM 13 OG SER A 2 -34.204 -4.858 -6.202 1.00 0.00 O ATOM 0 H SER A 2 -31.801 -4.360 -8.846 1.00 0.00 H new ATOM 0 HA SER A 2 -31.884 -4.053 -5.906 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.373 -5.721 -7.881 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.954 -6.491 -6.364 1.00 0.00 H new ATOM 0 HG SER A 2 -35.009 -5.413 -6.264 1.00 0.00 H new ATOM 19 N SER A 3 -30.355 -6.024 -5.403 1.00 0.00 N ATOM 20 CA SER A 3 -29.233 -6.904 -5.121 1.00 0.00 C ATOM 21 C SER A 3 -27.921 -6.222 -5.513 1.00 0.00 C ATOM 22 O SER A 3 -27.921 -5.271 -6.293 1.00 0.00 O ATOM 23 CB SER A 3 -29.381 -8.237 -5.858 1.00 0.00 C ATOM 24 OG SER A 3 -30.226 -9.144 -5.156 1.00 0.00 O ATOM 0 H SER A 3 -30.901 -5.753 -4.585 1.00 0.00 H new ATOM 0 HA SER A 3 -29.220 -7.111 -4.051 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.789 -8.058 -6.853 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.398 -8.688 -5.993 1.00 0.00 H new ATOM 0 HG SER A 3 -30.296 -9.982 -5.659 1.00 0.00 H new ATOM 30 N GLY A 4 -26.835 -6.736 -4.956 1.00 0.00 N ATOM 31 CA GLY A 4 -25.519 -6.188 -5.238 1.00 0.00 C ATOM 32 C GLY A 4 -24.422 -7.037 -4.591 1.00 0.00 C ATOM 33 O GLY A 4 -24.137 -8.143 -5.048 1.00 0.00 O ATOM 0 H GLY A 4 -26.839 -7.526 -4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.362 -6.145 -6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.459 -5.165 -4.866 1.00 0.00 H new ATOM 37 N SER A 5 -23.836 -6.486 -3.538 1.00 0.00 N ATOM 38 CA SER A 5 -22.777 -7.178 -2.824 1.00 0.00 C ATOM 39 C SER A 5 -23.362 -8.338 -2.016 1.00 0.00 C ATOM 40 O SER A 5 -24.515 -8.284 -1.590 1.00 0.00 O ATOM 41 CB SER A 5 -22.015 -6.221 -1.905 1.00 0.00 C ATOM 42 OG SER A 5 -20.636 -6.563 -1.803 1.00 0.00 O ATOM 0 H SER A 5 -24.075 -5.568 -3.162 1.00 0.00 H new ATOM 0 HA SER A 5 -22.072 -7.573 -3.556 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.109 -5.203 -2.284 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.466 -6.235 -0.913 1.00 0.00 H new ATOM 0 HG SER A 5 -20.184 -5.928 -1.209 1.00 0.00 H new ATOM 48 N SER A 6 -22.540 -9.361 -1.828 1.00 0.00 N ATOM 49 CA SER A 6 -22.962 -10.532 -1.078 1.00 0.00 C ATOM 50 C SER A 6 -21.749 -11.201 -0.428 1.00 0.00 C ATOM 51 O SER A 6 -21.722 -11.401 0.785 1.00 0.00 O ATOM 52 CB SER A 6 -23.698 -11.526 -1.978 1.00 0.00 C ATOM 53 OG SER A 6 -24.949 -11.923 -1.423 1.00 0.00 O ATOM 0 H SER A 6 -21.584 -9.403 -2.182 1.00 0.00 H new ATOM 0 HA SER A 6 -23.652 -10.209 -0.299 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.862 -11.076 -2.957 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.074 -12.406 -2.132 1.00 0.00 H new ATOM 0 HG SER A 6 -25.389 -12.556 -2.028 1.00 0.00 H new ATOM 59 N GLY A 7 -20.776 -11.530 -1.264 1.00 0.00 N ATOM 60 CA GLY A 7 -19.563 -12.173 -0.786 1.00 0.00 C ATOM 61 C GLY A 7 -18.326 -11.347 -1.145 1.00 0.00 C ATOM 62 O GLY A 7 -18.422 -10.138 -1.355 1.00 0.00 O ATOM 0 H GLY A 7 -20.802 -11.364 -2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.617 -12.302 0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.479 -13.169 -1.222 1.00 0.00 H new ATOM 66 N MET A 8 -17.194 -12.031 -1.204 1.00 0.00 N ATOM 67 CA MET A 8 -15.939 -11.376 -1.533 1.00 0.00 C ATOM 68 C MET A 8 -14.856 -12.403 -1.871 1.00 0.00 C ATOM 69 O MET A 8 -15.053 -13.602 -1.683 1.00 0.00 O ATOM 70 CB MET A 8 -15.483 -10.522 -0.348 1.00 0.00 C ATOM 71 CG MET A 8 -15.156 -11.397 0.864 1.00 0.00 C ATOM 72 SD MET A 8 -13.956 -10.579 1.901 1.00 0.00 S ATOM 73 CE MET A 8 -12.839 -11.936 2.213 1.00 0.00 C ATOM 0 H MET A 8 -17.119 -13.033 -1.029 1.00 0.00 H new ATOM 0 HA MET A 8 -16.098 -10.744 -2.407 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.604 -9.942 -0.630 1.00 0.00 H new ATOM 0 HB3 MET A 8 -16.265 -9.809 -0.086 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.064 -11.598 1.433 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.767 -12.360 0.533 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.023 -11.596 2.851 1.00 0.00 H new ATOM 0 HE2 MET A 8 -13.377 -12.743 2.710 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.434 -12.298 1.268 1.00 0.00 H new ATOM 83 N VAL A 9 -13.736 -11.894 -2.363 1.00 0.00 N ATOM 84 CA VAL A 9 -12.622 -12.752 -2.728 1.00 0.00 C ATOM 85 C VAL A 9 -11.308 -12.019 -2.451 1.00 0.00 C ATOM 86 O VAL A 9 -10.420 -12.557 -1.791 1.00 0.00 O ATOM 87 CB VAL A 9 -12.761 -13.199 -4.185 1.00 0.00 C ATOM 88 CG1 VAL A 9 -13.780 -14.333 -4.315 1.00 0.00 C ATOM 89 CG2 VAL A 9 -13.134 -12.020 -5.087 1.00 0.00 C ATOM 0 H VAL A 9 -13.576 -10.898 -2.517 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.623 -13.658 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.793 -13.579 -4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.860 -14.632 -5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -13.455 -15.185 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -14.752 -13.991 -3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.227 -12.365 -6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.084 -11.597 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.358 -11.257 -5.028 1.00 0.00 H new ATOM 99 N THR A 10 -11.225 -10.802 -2.968 1.00 0.00 N ATOM 100 CA THR A 10 -10.034 -9.990 -2.784 1.00 0.00 C ATOM 101 C THR A 10 -10.404 -8.625 -2.200 1.00 0.00 C ATOM 102 O THR A 10 -11.088 -7.834 -2.847 1.00 0.00 O ATOM 103 CB THR A 10 -9.312 -9.899 -4.130 1.00 0.00 C ATOM 104 OG1 THR A 10 -9.232 -11.251 -4.574 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.851 -9.469 -3.983 1.00 0.00 C ATOM 0 H THR A 10 -11.963 -10.358 -3.514 1.00 0.00 H new ATOM 0 HA THR A 10 -9.354 -10.443 -2.063 1.00 0.00 H new ATOM 0 HB THR A 10 -9.835 -9.193 -4.775 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.779 -11.284 -5.442 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.385 -9.420 -4.967 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.806 -8.487 -3.511 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.319 -10.193 -3.365 1.00 0.00 H new ATOM 113 N PRO A 11 -9.923 -8.385 -0.951 1.00 0.00 N ATOM 114 CA PRO A 11 -10.196 -7.130 -0.272 1.00 0.00 C ATOM 115 C PRO A 11 -9.349 -5.997 -0.854 1.00 0.00 C ATOM 116 O PRO A 11 -8.278 -6.239 -1.409 1.00 0.00 O ATOM 117 CB PRO A 11 -9.898 -7.403 1.193 1.00 0.00 C ATOM 118 CG PRO A 11 -9.031 -8.650 1.217 1.00 0.00 C ATOM 119 CD PRO A 11 -9.110 -9.300 -0.155 1.00 0.00 C ATOM 0 HA PRO A 11 -11.226 -6.797 -0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.381 -6.559 1.650 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.818 -7.556 1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.000 -8.393 1.459 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.376 -9.340 1.987 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.119 -9.430 -0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.566 -10.289 -0.099 1.00 0.00 H new ATOM 127 N SER A 12 -9.860 -4.783 -0.707 1.00 0.00 N ATOM 128 CA SER A 12 -9.163 -3.612 -1.210 1.00 0.00 C ATOM 129 C SER A 12 -7.970 -3.285 -0.310 1.00 0.00 C ATOM 130 O SER A 12 -8.020 -3.507 0.898 1.00 0.00 O ATOM 131 CB SER A 12 -10.104 -2.408 -1.301 1.00 0.00 C ATOM 132 OG SER A 12 -10.836 -2.394 -2.524 1.00 0.00 O ATOM 0 H SER A 12 -10.749 -4.586 -0.247 1.00 0.00 H new ATOM 0 HA SER A 12 -8.802 -3.835 -2.214 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.800 -2.427 -0.462 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.526 -1.488 -1.214 1.00 0.00 H new ATOM 0 HG SER A 12 -10.327 -1.906 -3.204 1.00 0.00 H new ATOM 138 N LEU A 13 -6.924 -2.763 -0.935 1.00 0.00 N ATOM 139 CA LEU A 13 -5.720 -2.404 -0.205 1.00 0.00 C ATOM 140 C LEU A 13 -5.812 -0.942 0.234 1.00 0.00 C ATOM 141 O LEU A 13 -5.754 -0.036 -0.595 1.00 0.00 O ATOM 142 CB LEU A 13 -4.475 -2.719 -1.038 1.00 0.00 C ATOM 143 CG LEU A 13 -3.176 -2.918 -0.254 1.00 0.00 C ATOM 144 CD1 LEU A 13 -2.250 -1.710 -0.413 1.00 0.00 C ATOM 145 CD2 LEU A 13 -3.465 -3.230 1.216 1.00 0.00 C ATOM 0 H LEU A 13 -6.886 -2.580 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.630 -3.004 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.669 -3.622 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.325 -1.909 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.654 -3.780 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.334 -1.877 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.005 -1.575 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.750 -0.816 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.525 -3.367 1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.019 -2.403 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.058 -4.142 1.285 1.00 0.00 H new ATOM 157 N ARG A 14 -5.953 -0.757 1.539 1.00 0.00 N ATOM 158 CA ARG A 14 -6.054 0.580 2.099 1.00 0.00 C ATOM 159 C ARG A 14 -4.816 0.897 2.941 1.00 0.00 C ATOM 160 O ARG A 14 -4.639 0.342 4.024 1.00 0.00 O ATOM 161 CB ARG A 14 -7.304 0.720 2.969 1.00 0.00 C ATOM 162 CG ARG A 14 -7.436 2.143 3.515 1.00 0.00 C ATOM 163 CD ARG A 14 -8.315 2.170 4.768 1.00 0.00 C ATOM 164 NE ARG A 14 -9.517 2.999 4.524 1.00 0.00 N ATOM 165 CZ ARG A 14 -10.416 3.314 5.467 1.00 0.00 C ATOM 166 NH1 ARG A 14 -10.254 2.872 6.721 1.00 0.00 N ATOM 167 NH2 ARG A 14 -11.476 4.071 5.155 1.00 0.00 N ATOM 0 H ARG A 14 -6.000 -1.511 2.224 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.123 1.283 1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.189 0.468 2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.256 0.012 3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.448 2.539 3.751 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.865 2.791 2.751 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.611 1.156 5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.751 2.571 5.610 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.671 3.352 3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.447 2.296 6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.938 3.112 7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.599 4.408 4.200 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.160 4.311 5.872 1.00 0.00 H new ATOM 181 N LEU A 15 -3.992 1.789 2.411 1.00 0.00 N ATOM 182 CA LEU A 15 -2.777 2.187 3.101 1.00 0.00 C ATOM 183 C LEU A 15 -3.077 3.383 4.006 1.00 0.00 C ATOM 184 O LEU A 15 -3.422 4.461 3.522 1.00 0.00 O ATOM 185 CB LEU A 15 -1.651 2.442 2.097 1.00 0.00 C ATOM 186 CG LEU A 15 -1.178 1.228 1.296 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.324 1.657 0.101 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.445 0.229 2.195 1.00 0.00 C ATOM 0 H LEU A 15 -4.142 2.247 1.512 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.423 1.382 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.983 3.208 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.797 2.852 2.636 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.056 0.719 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.001 0.774 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.912 2.300 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.550 2.203 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.119 -0.625 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.424 0.712 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.117 -0.113 2.983 1.00 0.00 H new ATOM 200 N VAL A 16 -2.935 3.154 5.303 1.00 0.00 N ATOM 201 CA VAL A 16 -3.186 4.200 6.280 1.00 0.00 C ATOM 202 C VAL A 16 -1.856 4.674 6.867 1.00 0.00 C ATOM 203 O VAL A 16 -1.080 3.872 7.383 1.00 0.00 O ATOM 204 CB VAL A 16 -4.164 3.697 7.344 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.440 4.780 8.389 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.465 3.207 6.705 1.00 0.00 C ATOM 0 H VAL A 16 -2.649 2.259 5.700 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.656 5.061 5.806 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.701 2.851 7.852 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.138 4.397 9.134 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.507 5.061 8.877 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.872 5.654 7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.142 2.855 7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.933 4.026 6.159 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.247 2.390 6.017 1.00 0.00 H new ATOM 216 N PHE A 17 -1.633 5.977 6.768 1.00 0.00 N ATOM 217 CA PHE A 17 -0.409 6.567 7.283 1.00 0.00 C ATOM 218 C PHE A 17 -0.551 6.917 8.766 1.00 0.00 C ATOM 219 O PHE A 17 -0.969 8.022 9.110 1.00 0.00 O ATOM 220 CB PHE A 17 -0.164 7.852 6.489 1.00 0.00 C ATOM 221 CG PHE A 17 0.313 7.617 5.055 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.555 7.110 4.827 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.503 7.914 4.009 1.00 0.00 C ATOM 224 CE1 PHE A 17 1.998 6.891 3.495 1.00 0.00 C ATOM 225 CE2 PHE A 17 -0.060 7.695 2.678 1.00 0.00 C ATOM 226 CZ PHE A 17 1.182 7.188 2.449 1.00 0.00 C ATOM 0 H PHE A 17 -2.279 6.640 6.339 1.00 0.00 H new ATOM 0 HA PHE A 17 0.416 5.862 7.181 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.086 8.432 6.463 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.578 8.455 7.013 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.203 6.874 5.658 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.489 8.317 4.191 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.984 6.488 3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.709 7.931 1.847 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.519 7.022 1.437 1.00 0.00 H new ATOM 236 N VAL A 18 -0.195 5.955 9.604 1.00 0.00 N ATOM 237 CA VAL A 18 -0.277 6.148 11.042 1.00 0.00 C ATOM 238 C VAL A 18 0.910 6.993 11.508 1.00 0.00 C ATOM 239 O VAL A 18 0.804 7.733 12.485 1.00 0.00 O ATOM 240 CB VAL A 18 -0.358 4.792 11.748 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.744 4.167 11.575 1.00 0.00 C ATOM 242 CG2 VAL A 18 0.736 3.847 11.248 1.00 0.00 C ATOM 0 H VAL A 18 0.151 5.040 9.315 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.185 6.691 11.303 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.195 4.958 12.813 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.775 3.205 12.086 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.497 4.829 12.002 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.948 4.022 10.514 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.656 2.891 11.766 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.619 3.690 10.176 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.714 4.286 11.446 1.00 0.00 H new ATOM 252 N LYS A 19 2.013 6.856 10.787 1.00 0.00 N ATOM 253 CA LYS A 19 3.218 7.598 11.114 1.00 0.00 C ATOM 254 C LYS A 19 3.789 8.223 9.840 1.00 0.00 C ATOM 255 O LYS A 19 3.136 8.221 8.797 1.00 0.00 O ATOM 256 CB LYS A 19 4.212 6.705 11.859 1.00 0.00 C ATOM 257 CG LYS A 19 3.606 6.175 13.160 1.00 0.00 C ATOM 258 CD LYS A 19 4.110 6.973 14.365 1.00 0.00 C ATOM 259 CE LYS A 19 4.714 6.046 15.422 1.00 0.00 C ATOM 260 NZ LYS A 19 6.094 6.466 15.752 1.00 0.00 N ATOM 0 H LYS A 19 2.097 6.242 9.977 1.00 0.00 H new ATOM 0 HA LYS A 19 2.987 8.417 11.796 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.503 5.869 11.223 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.118 7.269 12.079 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.519 6.234 13.109 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.863 5.123 13.283 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.858 7.696 14.040 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.287 7.540 14.801 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.098 6.060 16.321 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.718 5.020 15.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.489 5.826 16.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.682 6.430 14.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.082 7.438 16.122 1.00 0.00 H new ATOM 274 N GLY A 20 5.001 8.743 9.965 1.00 0.00 N ATOM 275 CA GLY A 20 5.667 9.370 8.836 1.00 0.00 C ATOM 276 C GLY A 20 5.144 10.790 8.611 1.00 0.00 C ATOM 277 O GLY A 20 4.419 11.328 9.446 1.00 0.00 O ATOM 0 H GLY A 20 5.539 8.743 10.831 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.742 9.398 9.013 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.508 8.773 7.938 1.00 0.00 H new ATOM 281 N PRO A 21 5.543 11.372 7.448 1.00 0.00 N ATOM 282 CA PRO A 21 5.122 12.719 7.102 1.00 0.00 C ATOM 283 C PRO A 21 3.660 12.738 6.651 1.00 0.00 C ATOM 284 O PRO A 21 2.988 13.763 6.756 1.00 0.00 O ATOM 285 CB PRO A 21 6.085 13.165 6.015 1.00 0.00 C ATOM 286 CG PRO A 21 6.712 11.893 5.466 1.00 0.00 C ATOM 287 CD PRO A 21 6.401 10.765 6.435 1.00 0.00 C ATOM 0 HA PRO A 21 5.157 13.402 7.951 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.562 13.713 5.231 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.846 13.833 6.418 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.314 11.667 4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.789 12.015 5.356 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.897 9.939 5.933 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.311 10.361 6.878 1.00 0.00 H new ATOM 295 N ARG A 22 3.211 11.593 6.158 1.00 0.00 N ATOM 296 CA ARG A 22 1.841 11.465 5.691 1.00 0.00 C ATOM 297 C ARG A 22 0.918 11.084 6.850 1.00 0.00 C ATOM 298 O ARG A 22 -0.286 10.920 6.661 1.00 0.00 O ATOM 299 CB ARG A 22 1.731 10.408 4.591 1.00 0.00 C ATOM 300 CG ARG A 22 2.617 10.766 3.396 1.00 0.00 C ATOM 301 CD ARG A 22 1.828 10.693 2.087 1.00 0.00 C ATOM 302 NE ARG A 22 0.880 11.827 2.004 1.00 0.00 N ATOM 303 CZ ARG A 22 -0.222 11.830 1.242 1.00 0.00 C ATOM 304 NH1 ARG A 22 -0.522 10.760 0.493 1.00 0.00 N ATOM 305 NH2 ARG A 22 -1.024 12.903 1.230 1.00 0.00 N ATOM 0 H ARG A 22 3.772 10.745 6.072 1.00 0.00 H new ATOM 0 HA ARG A 22 1.538 12.430 5.284 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.023 9.435 4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.694 10.322 4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.021 11.770 3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.466 10.084 3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.512 10.717 1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.285 9.749 2.032 1.00 0.00 H new ATOM 0 HE ARG A 22 1.078 12.658 2.562 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.089 9.943 0.503 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.361 10.763 -0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.795 13.717 1.801 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.863 12.906 0.650 1.00 0.00 H new ATOM 319 N GLU A 23 1.518 10.953 8.024 1.00 0.00 N ATOM 320 CA GLU A 23 0.765 10.594 9.213 1.00 0.00 C ATOM 321 C GLU A 23 -0.586 11.312 9.223 1.00 0.00 C ATOM 322 O GLU A 23 -0.641 12.537 9.314 1.00 0.00 O ATOM 323 CB GLU A 23 1.561 10.907 10.482 1.00 0.00 C ATOM 324 CG GLU A 23 0.679 10.787 11.726 1.00 0.00 C ATOM 325 CD GLU A 23 1.495 11.011 13.001 1.00 0.00 C ATOM 326 OE1 GLU A 23 2.559 10.365 13.114 1.00 0.00 O ATOM 327 OE2 GLU A 23 1.037 11.824 13.833 1.00 0.00 O ATOM 0 H GLU A 23 2.517 11.089 8.177 1.00 0.00 H new ATOM 0 HA GLU A 23 0.583 9.519 9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.406 10.223 10.564 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.972 11.915 10.419 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.129 11.516 11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.217 9.800 11.755 1.00 0.00 H new ATOM 334 N GLY A 24 -1.643 10.518 9.128 1.00 0.00 N ATOM 335 CA GLY A 24 -2.990 11.063 9.124 1.00 0.00 C ATOM 336 C GLY A 24 -3.640 10.908 7.748 1.00 0.00 C ATOM 337 O GLY A 24 -4.807 11.252 7.567 1.00 0.00 O ATOM 0 H GLY A 24 -1.594 9.502 9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.594 10.554 9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.960 12.117 9.400 1.00 0.00 H new ATOM 341 N ASP A 25 -2.857 10.391 6.813 1.00 0.00 N ATOM 342 CA ASP A 25 -3.341 10.187 5.459 1.00 0.00 C ATOM 343 C ASP A 25 -3.673 8.707 5.258 1.00 0.00 C ATOM 344 O ASP A 25 -3.142 7.847 5.959 1.00 0.00 O ATOM 345 CB ASP A 25 -2.279 10.577 4.429 1.00 0.00 C ATOM 346 CG ASP A 25 -2.240 12.064 4.072 1.00 0.00 C ATOM 347 OD1 ASP A 25 -3.269 12.552 3.556 1.00 0.00 O ATOM 348 OD2 ASP A 25 -1.182 12.681 4.324 1.00 0.00 O ATOM 0 H ASP A 25 -1.890 10.107 6.967 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.224 10.810 5.320 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.300 10.284 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.451 10.004 3.518 1.00 0.00 H new ATOM 353 N ALA A 26 -4.551 8.455 4.298 1.00 0.00 N ATOM 354 CA ALA A 26 -4.960 7.094 3.996 1.00 0.00 C ATOM 355 C ALA A 26 -5.426 7.017 2.541 1.00 0.00 C ATOM 356 O ALA A 26 -5.919 8.000 1.990 1.00 0.00 O ATOM 357 CB ALA A 26 -6.047 6.657 4.980 1.00 0.00 C ATOM 0 H ALA A 26 -4.990 9.171 3.719 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.121 6.407 4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.354 5.636 4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.657 6.701 5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.906 7.322 4.892 1.00 0.00 H new ATOM 363 N LEU A 27 -5.253 5.839 1.959 1.00 0.00 N ATOM 364 CA LEU A 27 -5.649 5.620 0.579 1.00 0.00 C ATOM 365 C LEU A 27 -6.316 4.249 0.455 1.00 0.00 C ATOM 366 O LEU A 27 -6.262 3.442 1.382 1.00 0.00 O ATOM 367 CB LEU A 27 -4.455 5.810 -0.358 1.00 0.00 C ATOM 368 CG LEU A 27 -3.702 7.136 -0.225 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.234 6.975 -0.624 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.394 8.243 -1.022 1.00 0.00 C ATOM 0 H LEU A 27 -4.843 5.026 2.419 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.386 6.362 0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.751 4.996 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.806 5.716 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.720 7.435 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.722 7.932 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.760 6.237 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.173 6.641 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.838 9.174 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.429 7.966 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.409 8.379 -0.649 1.00 0.00 H new ATOM 382 N ASP A 28 -6.929 4.026 -0.698 1.00 0.00 N ATOM 383 CA ASP A 28 -7.605 2.766 -0.955 1.00 0.00 C ATOM 384 C ASP A 28 -7.517 2.440 -2.448 1.00 0.00 C ATOM 385 O ASP A 28 -7.590 3.335 -3.288 1.00 0.00 O ATOM 386 CB ASP A 28 -9.086 2.848 -0.577 1.00 0.00 C ATOM 387 CG ASP A 28 -9.919 3.807 -1.429 1.00 0.00 C ATOM 388 OD1 ASP A 28 -9.552 5.001 -1.463 1.00 0.00 O ATOM 389 OD2 ASP A 28 -10.904 3.324 -2.028 1.00 0.00 O ATOM 0 H ASP A 28 -6.972 4.697 -1.465 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.121 1.996 -0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.520 1.851 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.163 3.153 0.467 1.00 0.00 H new ATOM 394 N TYR A 29 -7.360 1.155 -2.731 1.00 0.00 N ATOM 395 CA TYR A 29 -7.260 0.699 -4.107 1.00 0.00 C ATOM 396 C TYR A 29 -7.998 -0.627 -4.301 1.00 0.00 C ATOM 397 O TYR A 29 -8.298 -1.321 -3.331 1.00 0.00 O ATOM 398 CB TYR A 29 -5.769 0.483 -4.373 1.00 0.00 C ATOM 399 CG TYR A 29 -4.932 1.761 -4.295 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.591 2.289 -3.067 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.517 2.386 -5.454 1.00 0.00 C ATOM 402 CE1 TYR A 29 -3.802 3.492 -2.993 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.729 3.589 -5.381 1.00 0.00 C ATOM 404 CZ TYR A 29 -3.410 4.083 -4.154 1.00 0.00 C ATOM 405 OH TYR A 29 -2.666 5.219 -4.085 1.00 0.00 O ATOM 0 H TYR A 29 -7.300 0.416 -2.031 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.704 1.427 -4.785 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.382 -0.237 -3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.647 0.041 -5.362 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.916 1.800 -2.160 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.783 1.973 -6.416 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.528 3.915 -2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.399 4.088 -6.280 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.458 5.529 -4.991 1.00 0.00 H new ATOM 415 N LYS A 30 -8.269 -0.939 -5.559 1.00 0.00 N ATOM 416 CA LYS A 30 -8.966 -2.169 -5.892 1.00 0.00 C ATOM 417 C LYS A 30 -7.960 -3.321 -5.950 1.00 0.00 C ATOM 418 O LYS A 30 -6.752 -3.093 -5.983 1.00 0.00 O ATOM 419 CB LYS A 30 -9.776 -1.996 -7.179 1.00 0.00 C ATOM 420 CG LYS A 30 -11.230 -1.637 -6.867 1.00 0.00 C ATOM 421 CD LYS A 30 -11.480 -0.140 -7.061 1.00 0.00 C ATOM 422 CE LYS A 30 -12.880 0.249 -6.582 1.00 0.00 C ATOM 423 NZ LYS A 30 -13.751 0.571 -7.734 1.00 0.00 N ATOM 0 H LYS A 30 -8.018 -0.361 -6.361 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.691 -2.416 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.328 -1.214 -7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.742 -2.917 -7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.896 -2.207 -7.515 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.465 -1.918 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.732 0.431 -6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.367 0.118 -8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.315 -0.569 -6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.817 1.109 -5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.697 0.833 -7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.343 1.366 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.826 -0.259 -8.356 1.00 0.00 H new ATOM 437 N PRO A 31 -8.510 -4.564 -5.960 1.00 0.00 N ATOM 438 CA PRO A 31 -7.674 -5.752 -6.013 1.00 0.00 C ATOM 439 C PRO A 31 -7.100 -5.956 -7.416 1.00 0.00 C ATOM 440 O PRO A 31 -7.833 -5.914 -8.403 1.00 0.00 O ATOM 441 CB PRO A 31 -8.579 -6.890 -5.570 1.00 0.00 C ATOM 442 CG PRO A 31 -10.001 -6.379 -5.732 1.00 0.00 C ATOM 443 CD PRO A 31 -9.936 -4.872 -5.922 1.00 0.00 C ATOM 0 HA PRO A 31 -6.800 -5.681 -5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.412 -7.780 -6.177 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.379 -7.168 -4.535 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.481 -6.851 -6.589 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.598 -6.628 -4.855 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.431 -4.567 -6.844 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.433 -4.348 -5.105 1.00 0.00 H new ATOM 451 N GLY A 32 -5.793 -6.173 -7.460 1.00 0.00 N ATOM 452 CA GLY A 32 -5.112 -6.384 -8.727 1.00 0.00 C ATOM 453 C GLY A 32 -4.519 -5.076 -9.255 1.00 0.00 C ATOM 454 O GLY A 32 -4.217 -4.962 -10.442 1.00 0.00 O ATOM 0 H GLY A 32 -5.188 -6.207 -6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.320 -7.121 -8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.812 -6.791 -9.457 1.00 0.00 H new ATOM 458 N SER A 33 -4.370 -4.123 -8.347 1.00 0.00 N ATOM 459 CA SER A 33 -3.818 -2.827 -8.707 1.00 0.00 C ATOM 460 C SER A 33 -2.511 -2.587 -7.949 1.00 0.00 C ATOM 461 O SER A 33 -2.517 -2.422 -6.730 1.00 0.00 O ATOM 462 CB SER A 33 -4.815 -1.704 -8.415 1.00 0.00 C ATOM 463 OG SER A 33 -5.814 -1.602 -9.426 1.00 0.00 O ATOM 0 H SER A 33 -4.621 -4.222 -7.363 1.00 0.00 H new ATOM 0 HA SER A 33 -3.615 -2.827 -9.778 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.291 -1.883 -7.451 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.281 -0.757 -8.335 1.00 0.00 H new ATOM 0 HG SER A 33 -6.432 -0.875 -9.203 1.00 0.00 H new ATOM 469 N THR A 34 -1.421 -2.575 -8.702 1.00 0.00 N ATOM 470 CA THR A 34 -0.109 -2.357 -8.117 1.00 0.00 C ATOM 471 C THR A 34 0.006 -0.928 -7.583 1.00 0.00 C ATOM 472 O THR A 34 -0.345 0.027 -8.274 1.00 0.00 O ATOM 473 CB THR A 34 0.943 -2.697 -9.175 1.00 0.00 C ATOM 474 OG1 THR A 34 0.644 -4.041 -9.543 1.00 0.00 O ATOM 475 CG2 THR A 34 2.355 -2.775 -8.592 1.00 0.00 C ATOM 0 H THR A 34 -1.420 -2.713 -9.713 1.00 0.00 H new ATOM 0 HA THR A 34 0.053 -3.006 -7.256 1.00 0.00 H new ATOM 0 HB THR A 34 0.918 -1.947 -9.966 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.278 -4.342 -10.227 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.063 -3.019 -9.384 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.620 -1.814 -8.152 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.389 -3.548 -7.824 1.00 0.00 H new ATOM 483 N ILE A 35 0.500 -0.827 -6.357 1.00 0.00 N ATOM 484 CA ILE A 35 0.666 0.469 -5.722 1.00 0.00 C ATOM 485 C ILE A 35 2.152 0.714 -5.452 1.00 0.00 C ATOM 486 O ILE A 35 2.679 0.284 -4.427 1.00 0.00 O ATOM 487 CB ILE A 35 -0.211 0.570 -4.473 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.687 0.366 -4.821 1.00 0.00 C ATOM 489 CG2 ILE A 35 0.028 1.892 -3.740 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.268 -0.831 -4.066 1.00 0.00 C ATOM 0 H ILE A 35 0.790 -1.622 -5.787 1.00 0.00 H new ATOM 0 HA ILE A 35 0.327 1.264 -6.386 1.00 0.00 H new ATOM 0 HB ILE A 35 0.073 -0.232 -3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.250 1.265 -4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.793 0.210 -5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.608 1.938 -2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.073 1.957 -3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.211 2.724 -4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.318 -0.954 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.718 -1.733 -4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.183 -0.661 -2.993 1.00 0.00 H new ATOM 502 N ARG A 36 2.786 1.402 -6.390 1.00 0.00 N ATOM 503 CA ARG A 36 4.201 1.709 -6.265 1.00 0.00 C ATOM 504 C ARG A 36 4.413 2.835 -5.252 1.00 0.00 C ATOM 505 O ARG A 36 4.124 3.996 -5.539 1.00 0.00 O ATOM 506 CB ARG A 36 4.794 2.125 -7.612 1.00 0.00 C ATOM 507 CG ARG A 36 4.639 1.010 -8.648 1.00 0.00 C ATOM 508 CD ARG A 36 4.474 1.589 -10.055 1.00 0.00 C ATOM 509 NE ARG A 36 3.241 2.403 -10.127 1.00 0.00 N ATOM 510 CZ ARG A 36 2.829 3.047 -11.227 1.00 0.00 C ATOM 511 NH1 ARG A 36 3.549 2.976 -12.355 1.00 0.00 N ATOM 512 NH2 ARG A 36 1.696 3.763 -11.200 1.00 0.00 N ATOM 0 H ARG A 36 2.346 1.756 -7.240 1.00 0.00 H new ATOM 0 HA ARG A 36 4.707 0.807 -5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.298 3.028 -7.968 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.849 2.368 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.512 0.358 -8.619 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.774 0.396 -8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.339 2.202 -10.309 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.430 0.782 -10.786 1.00 0.00 H new ATOM 0 HE ARG A 36 2.668 2.479 -9.286 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.411 2.431 -12.376 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.235 3.467 -13.192 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.147 3.818 -10.342 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.382 4.253 -12.038 1.00 0.00 H new ATOM 526 N VAL A 37 4.916 2.453 -4.087 1.00 0.00 N ATOM 527 CA VAL A 37 5.170 3.417 -3.030 1.00 0.00 C ATOM 528 C VAL A 37 6.623 3.888 -3.113 1.00 0.00 C ATOM 529 O VAL A 37 7.547 3.084 -3.006 1.00 0.00 O ATOM 530 CB VAL A 37 4.816 2.808 -1.671 1.00 0.00 C ATOM 531 CG1 VAL A 37 5.123 3.787 -0.535 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.352 2.366 -1.633 1.00 0.00 C ATOM 0 H VAL A 37 5.154 1.489 -3.852 1.00 0.00 H new ATOM 0 HA VAL A 37 4.536 4.295 -3.154 1.00 0.00 H new ATOM 0 HB VAL A 37 5.437 1.923 -1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.862 3.330 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.185 4.031 -0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.540 4.698 -0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.127 1.937 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.707 3.227 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.177 1.618 -2.407 1.00 0.00 H new ATOM 542 N GLY A 38 6.779 5.190 -3.304 1.00 0.00 N ATOM 543 CA GLY A 38 8.104 5.778 -3.404 1.00 0.00 C ATOM 544 C GLY A 38 8.155 7.136 -2.702 1.00 0.00 C ATOM 545 O GLY A 38 7.425 7.370 -1.740 1.00 0.00 O ATOM 0 H GLY A 38 6.010 5.854 -3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.838 5.107 -2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.375 5.896 -4.453 1.00 0.00 H new ATOM 549 N ARG A 39 9.025 7.997 -3.211 1.00 0.00 N ATOM 550 CA ARG A 39 9.181 9.326 -2.645 1.00 0.00 C ATOM 551 C ARG A 39 8.517 10.368 -3.547 1.00 0.00 C ATOM 552 O ARG A 39 8.174 11.459 -3.094 1.00 0.00 O ATOM 553 CB ARG A 39 10.659 9.680 -2.470 1.00 0.00 C ATOM 554 CG ARG A 39 10.832 11.163 -2.134 1.00 0.00 C ATOM 555 CD ARG A 39 12.223 11.437 -1.560 1.00 0.00 C ATOM 556 NE ARG A 39 12.854 12.566 -2.280 1.00 0.00 N ATOM 557 CZ ARG A 39 13.416 12.464 -3.492 1.00 0.00 C ATOM 558 NH1 ARG A 39 13.430 11.284 -4.127 1.00 0.00 N ATOM 559 NH2 ARG A 39 13.965 13.541 -4.069 1.00 0.00 N ATOM 0 H ARG A 39 9.629 7.800 -4.009 1.00 0.00 H new ATOM 0 HA ARG A 39 8.701 9.328 -1.667 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.091 9.071 -1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.204 9.445 -3.384 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.681 11.763 -3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.072 11.468 -1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.148 11.669 -0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.844 10.546 -1.649 1.00 0.00 H new ATOM 0 HE ARG A 39 12.861 13.479 -1.825 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.013 10.463 -3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.858 11.206 -5.050 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.955 14.439 -3.586 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.393 13.463 -4.992 1.00 0.00 H new ATOM 573 N ILE A 40 8.356 9.996 -4.808 1.00 0.00 N ATOM 574 CA ILE A 40 7.740 10.885 -5.778 1.00 0.00 C ATOM 575 C ILE A 40 6.331 10.382 -6.101 1.00 0.00 C ATOM 576 O ILE A 40 6.045 9.194 -5.962 1.00 0.00 O ATOM 577 CB ILE A 40 8.635 11.038 -7.009 1.00 0.00 C ATOM 578 CG1 ILE A 40 8.870 9.687 -7.688 1.00 0.00 C ATOM 579 CG2 ILE A 40 9.948 11.735 -6.649 1.00 0.00 C ATOM 580 CD1 ILE A 40 9.314 9.874 -9.141 1.00 0.00 C ATOM 0 H ILE A 40 8.642 9.090 -5.181 1.00 0.00 H new ATOM 0 HA ILE A 40 7.634 11.887 -5.363 1.00 0.00 H new ATOM 0 HB ILE A 40 8.120 11.674 -7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.629 9.128 -7.141 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.955 9.096 -7.657 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.566 11.831 -7.542 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.736 12.725 -6.246 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.480 11.146 -5.902 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.474 8.899 -9.601 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.542 10.412 -9.691 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.242 10.445 -9.167 1.00 0.00 H new ATOM 592 N VAL A 41 5.489 11.312 -6.527 1.00 0.00 N ATOM 593 CA VAL A 41 4.117 10.978 -6.871 1.00 0.00 C ATOM 594 C VAL A 41 4.031 10.670 -8.367 1.00 0.00 C ATOM 595 O VAL A 41 3.247 9.820 -8.786 1.00 0.00 O ATOM 596 CB VAL A 41 3.179 12.106 -6.438 1.00 0.00 C ATOM 597 CG1 VAL A 41 2.904 12.044 -4.934 1.00 0.00 C ATOM 598 CG2 VAL A 41 3.744 13.471 -6.835 1.00 0.00 C ATOM 0 H VAL A 41 5.730 12.296 -6.642 1.00 0.00 H new ATOM 0 HA VAL A 41 3.796 10.084 -6.336 1.00 0.00 H new ATOM 0 HB VAL A 41 2.231 11.971 -6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.235 12.857 -4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.439 11.089 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.842 12.141 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.058 14.256 -6.516 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.712 13.618 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.865 13.514 -7.917 1.00 0.00 H new ATOM 608 N ARG A 42 4.848 11.379 -9.132 1.00 0.00 N ATOM 609 CA ARG A 42 4.875 11.193 -10.573 1.00 0.00 C ATOM 610 C ARG A 42 4.800 9.704 -10.917 1.00 0.00 C ATOM 611 O ARG A 42 3.712 9.162 -11.112 1.00 0.00 O ATOM 612 CB ARG A 42 6.147 11.786 -11.182 1.00 0.00 C ATOM 613 CG ARG A 42 5.996 13.292 -11.406 1.00 0.00 C ATOM 614 CD ARG A 42 6.910 14.081 -10.466 1.00 0.00 C ATOM 615 NE ARG A 42 8.023 14.685 -11.232 1.00 0.00 N ATOM 616 CZ ARG A 42 8.901 15.558 -10.719 1.00 0.00 C ATOM 617 NH1 ARG A 42 8.800 15.934 -9.436 1.00 0.00 N ATOM 618 NH2 ARG A 42 9.879 16.055 -11.488 1.00 0.00 N ATOM 0 H ARG A 42 5.497 12.084 -8.781 1.00 0.00 H new ATOM 0 HA ARG A 42 4.011 11.711 -10.990 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.993 11.596 -10.522 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.365 11.294 -12.130 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.236 13.535 -12.441 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.959 13.585 -11.242 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.340 14.861 -9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.305 13.423 -9.692 1.00 0.00 H new ATOM 0 HE ARG A 42 8.128 14.420 -12.211 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.055 15.556 -8.851 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.468 16.598 -9.045 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.955 15.769 -12.464 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.547 16.719 -11.097 1.00 0.00 H new ATOM 632 N GLY A 43 5.969 9.084 -10.981 1.00 0.00 N ATOM 633 CA GLY A 43 6.049 7.668 -11.298 1.00 0.00 C ATOM 634 C GLY A 43 5.904 6.815 -10.037 1.00 0.00 C ATOM 635 O GLY A 43 6.865 6.187 -9.594 1.00 0.00 O ATOM 0 H GLY A 43 6.869 9.536 -10.819 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.266 7.406 -12.010 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.003 7.453 -11.779 1.00 0.00 H new ATOM 639 N ASN A 44 4.696 6.819 -9.493 1.00 0.00 N ATOM 640 CA ASN A 44 4.412 6.053 -8.292 1.00 0.00 C ATOM 641 C ASN A 44 2.960 6.290 -7.871 1.00 0.00 C ATOM 642 O ASN A 44 2.450 7.403 -7.990 1.00 0.00 O ATOM 643 CB ASN A 44 5.316 6.488 -7.136 1.00 0.00 C ATOM 644 CG ASN A 44 6.493 5.525 -6.969 1.00 0.00 C ATOM 645 OD1 ASN A 44 6.336 4.365 -6.625 1.00 0.00 O ATOM 646 ND2 ASN A 44 7.678 6.069 -7.231 1.00 0.00 N ATOM 0 H ASN A 44 3.902 7.341 -9.863 1.00 0.00 H new ATOM 0 HA ASN A 44 4.589 5.001 -8.514 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.689 7.495 -7.320 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.739 6.526 -6.212 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.526 5.508 -7.148 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.739 7.047 -7.515 1.00 0.00 H new ATOM 653 N GLU A 45 2.336 5.226 -7.389 1.00 0.00 N ATOM 654 CA GLU A 45 0.953 5.304 -6.951 1.00 0.00 C ATOM 655 C GLU A 45 0.850 6.127 -5.665 1.00 0.00 C ATOM 656 O GLU A 45 -0.136 6.831 -5.452 1.00 0.00 O ATOM 657 CB GLU A 45 0.359 3.907 -6.757 1.00 0.00 C ATOM 658 CG GLU A 45 -1.023 3.804 -7.406 1.00 0.00 C ATOM 659 CD GLU A 45 -0.914 3.813 -8.932 1.00 0.00 C ATOM 660 OE1 GLU A 45 -0.130 2.989 -9.450 1.00 0.00 O ATOM 661 OE2 GLU A 45 -1.618 4.644 -9.546 1.00 0.00 O ATOM 0 H GLU A 45 2.763 4.305 -7.292 1.00 0.00 H new ATOM 0 HA GLU A 45 0.374 5.804 -7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.025 3.161 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.282 3.685 -5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.515 2.888 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.646 4.636 -7.077 1.00 0.00 H new ATOM 668 N ILE A 46 1.881 6.010 -4.841 1.00 0.00 N ATOM 669 CA ILE A 46 1.918 6.734 -3.582 1.00 0.00 C ATOM 670 C ILE A 46 3.334 7.264 -3.345 1.00 0.00 C ATOM 671 O ILE A 46 4.313 6.609 -3.699 1.00 0.00 O ATOM 672 CB ILE A 46 1.392 5.857 -2.444 1.00 0.00 C ATOM 673 CG1 ILE A 46 0.004 5.305 -2.774 1.00 0.00 C ATOM 674 CG2 ILE A 46 1.405 6.617 -1.116 1.00 0.00 C ATOM 675 CD1 ILE A 46 -0.406 4.219 -1.778 1.00 0.00 C ATOM 0 H ILE A 46 2.697 5.425 -5.021 1.00 0.00 H new ATOM 0 HA ILE A 46 1.255 7.599 -3.620 1.00 0.00 H new ATOM 0 HB ILE A 46 2.060 5.003 -2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.726 6.114 -2.756 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.002 4.896 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.026 5.971 -0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.425 6.921 -0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.773 7.501 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.396 3.844 -2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.313 3.401 -1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.427 4.637 -0.772 1.00 0.00 H new ATOM 687 N ALA A 47 3.397 8.445 -2.749 1.00 0.00 N ATOM 688 CA ALA A 47 4.677 9.071 -2.461 1.00 0.00 C ATOM 689 C ALA A 47 4.673 9.592 -1.022 1.00 0.00 C ATOM 690 O ALA A 47 3.627 9.974 -0.500 1.00 0.00 O ATOM 691 CB ALA A 47 4.945 10.179 -3.481 1.00 0.00 C ATOM 0 H ALA A 47 2.583 8.986 -2.457 1.00 0.00 H new ATOM 0 HA ALA A 47 5.486 8.346 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.905 10.648 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.967 9.753 -4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.154 10.927 -3.422 1.00 0.00 H new ATOM 697 N ILE A 48 5.854 9.590 -0.423 1.00 0.00 N ATOM 698 CA ILE A 48 6.000 10.058 0.945 1.00 0.00 C ATOM 699 C ILE A 48 7.226 10.968 1.041 1.00 0.00 C ATOM 700 O ILE A 48 8.344 10.541 0.757 1.00 0.00 O ATOM 701 CB ILE A 48 6.036 8.875 1.915 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.727 8.084 1.863 1.00 0.00 C ATOM 703 CG2 ILE A 48 6.369 9.340 3.334 1.00 0.00 C ATOM 704 CD1 ILE A 48 4.990 6.609 1.554 1.00 0.00 C ATOM 0 H ILE A 48 6.719 9.272 -0.860 1.00 0.00 H new ATOM 0 HA ILE A 48 5.136 10.655 1.237 1.00 0.00 H new ATOM 0 HB ILE A 48 6.833 8.200 1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.206 8.172 2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.072 8.508 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.388 8.480 4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.345 9.825 3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.611 10.047 3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.043 6.069 1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.489 6.523 0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.625 6.182 2.330 1.00 0.00 H new ATOM 716 N LYS A 49 6.974 12.206 1.440 1.00 0.00 N ATOM 717 CA LYS A 49 8.044 13.181 1.577 1.00 0.00 C ATOM 718 C LYS A 49 8.692 13.031 2.954 1.00 0.00 C ATOM 719 O LYS A 49 8.552 13.906 3.808 1.00 0.00 O ATOM 720 CB LYS A 49 7.523 14.591 1.291 1.00 0.00 C ATOM 721 CG LYS A 49 7.415 14.841 -0.214 1.00 0.00 C ATOM 722 CD LYS A 49 8.752 15.315 -0.789 1.00 0.00 C ATOM 723 CE LYS A 49 9.144 14.489 -2.016 1.00 0.00 C ATOM 724 NZ LYS A 49 9.129 15.330 -3.233 1.00 0.00 N ATOM 0 H LYS A 49 6.045 12.557 1.673 1.00 0.00 H new ATOM 0 HA LYS A 49 8.823 12.998 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.546 14.723 1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.191 15.327 1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.103 13.926 -0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.646 15.589 -0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.682 16.368 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.528 15.234 -0.028 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.137 14.063 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.454 13.654 -2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.397 14.754 -4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.174 15.716 -3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.805 16.112 -3.123 1.00 0.00 H new ATOM 738 N ASP A 50 9.386 11.917 3.129 1.00 0.00 N ATOM 739 CA ASP A 50 10.056 11.641 4.389 1.00 0.00 C ATOM 740 C ASP A 50 11.569 11.617 4.162 1.00 0.00 C ATOM 741 O ASP A 50 12.343 11.572 5.117 1.00 0.00 O ATOM 742 CB ASP A 50 9.640 10.280 4.948 1.00 0.00 C ATOM 743 CG ASP A 50 10.122 9.990 6.370 1.00 0.00 C ATOM 744 OD1 ASP A 50 10.888 10.829 6.892 1.00 0.00 O ATOM 745 OD2 ASP A 50 9.714 8.936 6.904 1.00 0.00 O ATOM 0 H ASP A 50 9.499 11.194 2.419 1.00 0.00 H new ATOM 0 HA ASP A 50 9.777 12.421 5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.552 10.213 4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.019 9.501 4.286 1.00 0.00 H new ATOM 750 N ALA A 51 11.946 11.647 2.892 1.00 0.00 N ATOM 751 CA ALA A 51 13.352 11.629 2.528 1.00 0.00 C ATOM 752 C ALA A 51 13.863 10.188 2.556 1.00 0.00 C ATOM 753 O ALA A 51 14.373 9.686 1.555 1.00 0.00 O ATOM 754 CB ALA A 51 14.136 12.544 3.472 1.00 0.00 C ATOM 0 H ALA A 51 11.302 11.684 2.102 1.00 0.00 H new ATOM 0 HA ALA A 51 13.491 12.009 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.191 12.530 3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 51 13.754 13.562 3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 51 14.022 12.192 4.497 1.00 0.00 H new ATOM 760 N GLY A 52 13.710 9.561 3.714 1.00 0.00 N ATOM 761 CA GLY A 52 14.149 8.187 3.885 1.00 0.00 C ATOM 762 C GLY A 52 13.633 7.300 2.751 1.00 0.00 C ATOM 763 O GLY A 52 14.194 6.239 2.483 1.00 0.00 O ATOM 0 H GLY A 52 13.288 9.980 4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.238 8.151 3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.793 7.804 4.841 1.00 0.00 H new ATOM 767 N ILE A 53 12.569 7.768 2.114 1.00 0.00 N ATOM 768 CA ILE A 53 11.970 7.031 1.015 1.00 0.00 C ATOM 769 C ILE A 53 12.588 7.500 -0.304 1.00 0.00 C ATOM 770 O ILE A 53 12.878 8.683 -0.472 1.00 0.00 O ATOM 771 CB ILE A 53 10.445 7.151 1.056 1.00 0.00 C ATOM 772 CG1 ILE A 53 9.880 6.516 2.328 1.00 0.00 C ATOM 773 CG2 ILE A 53 9.814 6.564 -0.208 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.689 7.317 2.858 1.00 0.00 C ATOM 0 H ILE A 53 12.107 8.649 2.339 1.00 0.00 H new ATOM 0 HA ILE A 53 12.185 5.967 1.109 1.00 0.00 H new ATOM 0 HB ILE A 53 10.186 8.209 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.571 5.492 2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.658 6.466 3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.730 6.662 -0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.183 7.101 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.079 5.510 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.306 6.844 3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.007 8.334 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.904 7.344 2.103 1.00 0.00 H new ATOM 786 N SER A 54 12.771 6.547 -1.206 1.00 0.00 N ATOM 787 CA SER A 54 13.350 6.847 -2.505 1.00 0.00 C ATOM 788 C SER A 54 12.275 6.757 -3.590 1.00 0.00 C ATOM 789 O SER A 54 11.173 6.272 -3.338 1.00 0.00 O ATOM 790 CB SER A 54 14.507 5.899 -2.825 1.00 0.00 C ATOM 791 OG SER A 54 15.566 6.562 -3.510 1.00 0.00 O ATOM 0 H SER A 54 12.529 5.567 -1.063 1.00 0.00 H new ATOM 0 HA SER A 54 13.745 7.862 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.888 5.467 -1.900 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.141 5.073 -3.435 1.00 0.00 H new ATOM 0 HG SER A 54 16.286 5.924 -3.695 1.00 0.00 H new ATOM 797 N THR A 55 12.633 7.232 -4.774 1.00 0.00 N ATOM 798 CA THR A 55 11.713 7.211 -5.898 1.00 0.00 C ATOM 799 C THR A 55 11.105 5.817 -6.064 1.00 0.00 C ATOM 800 O THR A 55 9.885 5.671 -6.131 1.00 0.00 O ATOM 801 CB THR A 55 12.469 7.695 -7.137 1.00 0.00 C ATOM 802 OG1 THR A 55 13.767 7.125 -6.996 1.00 0.00 O ATOM 803 CG2 THR A 55 12.720 9.204 -7.117 1.00 0.00 C ATOM 0 H THR A 55 13.548 7.634 -4.979 1.00 0.00 H new ATOM 0 HA THR A 55 10.870 7.881 -5.731 1.00 0.00 H new ATOM 0 HB THR A 55 11.905 7.433 -8.032 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.324 7.387 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.259 9.495 -8.018 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.767 9.731 -7.079 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.313 9.463 -6.240 1.00 0.00 H new ATOM 811 N LYS A 56 11.983 4.827 -6.125 1.00 0.00 N ATOM 812 CA LYS A 56 11.548 3.449 -6.282 1.00 0.00 C ATOM 813 C LYS A 56 11.935 2.652 -5.034 1.00 0.00 C ATOM 814 O LYS A 56 12.718 1.707 -5.115 1.00 0.00 O ATOM 815 CB LYS A 56 12.096 2.859 -7.583 1.00 0.00 C ATOM 816 CG LYS A 56 11.660 3.692 -8.789 1.00 0.00 C ATOM 817 CD LYS A 56 10.354 3.159 -9.381 1.00 0.00 C ATOM 818 CE LYS A 56 9.453 4.306 -9.844 1.00 0.00 C ATOM 819 NZ LYS A 56 8.756 3.943 -11.098 1.00 0.00 N ATOM 0 H LYS A 56 12.994 4.951 -6.069 1.00 0.00 H new ATOM 0 HA LYS A 56 10.463 3.399 -6.369 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.184 2.819 -7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.744 1.834 -7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.530 4.732 -8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.441 3.675 -9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.574 2.502 -10.223 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.831 2.559 -8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.723 4.538 -9.069 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.049 5.205 -10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.149 4.732 -11.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.457 3.744 -11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.171 3.098 -10.938 1.00 0.00 H new ATOM 833 N HIS A 57 11.367 3.062 -3.910 1.00 0.00 N ATOM 834 CA HIS A 57 11.642 2.398 -2.647 1.00 0.00 C ATOM 835 C HIS A 57 11.207 0.934 -2.732 1.00 0.00 C ATOM 836 O HIS A 57 12.039 0.030 -2.665 1.00 0.00 O ATOM 837 CB HIS A 57 10.984 3.146 -1.485 1.00 0.00 C ATOM 838 CG HIS A 57 11.351 2.608 -0.123 1.00 0.00 C ATOM 839 ND1 HIS A 57 11.871 3.405 0.883 1.00 0.00 N ATOM 840 CD2 HIS A 57 11.267 1.347 0.390 1.00 0.00 C ATOM 841 CE1 HIS A 57 12.087 2.646 1.948 1.00 0.00 C ATOM 842 NE2 HIS A 57 11.712 1.371 1.640 1.00 0.00 N ATOM 0 H HIS A 57 10.717 3.846 -3.847 1.00 0.00 H new ATOM 0 HA HIS A 57 12.714 2.412 -2.451 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.266 4.198 -1.537 1.00 0.00 H new ATOM 0 HB3 HIS A 57 9.901 3.100 -1.603 1.00 0.00 H new ATOM 0 HD2 HIS A 57 10.900 0.476 -0.133 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.489 2.979 2.894 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.765 0.568 2.267 1.00 0.00 H new ATOM 850 N LEU A 58 9.904 0.744 -2.877 1.00 0.00 N ATOM 851 CA LEU A 58 9.348 -0.595 -2.972 1.00 0.00 C ATOM 852 C LEU A 58 8.093 -0.561 -3.846 1.00 0.00 C ATOM 853 O LEU A 58 7.629 0.511 -4.231 1.00 0.00 O ATOM 854 CB LEU A 58 9.110 -1.176 -1.576 1.00 0.00 C ATOM 855 CG LEU A 58 8.345 -0.282 -0.599 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.015 0.175 -1.200 1.00 0.00 C ATOM 857 CD2 LEU A 58 8.156 -0.980 0.750 1.00 0.00 C ATOM 0 H LEU A 58 9.217 1.496 -2.931 1.00 0.00 H new ATOM 0 HA LEU A 58 10.056 -1.268 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.565 -2.114 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.077 -1.418 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 58 8.940 0.613 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.491 0.809 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.203 0.738 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.401 -0.696 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.609 -0.323 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.593 -1.902 0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.131 -1.212 1.179 1.00 0.00 H new ATOM 869 N ARG A 59 7.578 -1.747 -4.133 1.00 0.00 N ATOM 870 CA ARG A 59 6.386 -1.867 -4.954 1.00 0.00 C ATOM 871 C ARG A 59 5.396 -2.843 -4.315 1.00 0.00 C ATOM 872 O ARG A 59 5.774 -3.944 -3.916 1.00 0.00 O ATOM 873 CB ARG A 59 6.733 -2.354 -6.362 1.00 0.00 C ATOM 874 CG ARG A 59 5.568 -3.132 -6.977 1.00 0.00 C ATOM 875 CD ARG A 59 5.888 -3.555 -8.412 1.00 0.00 C ATOM 876 NE ARG A 59 5.895 -2.371 -9.300 1.00 0.00 N ATOM 877 CZ ARG A 59 6.478 -2.340 -10.506 1.00 0.00 C ATOM 878 NH1 ARG A 59 7.104 -3.428 -10.976 1.00 0.00 N ATOM 879 NH2 ARG A 59 6.434 -1.221 -11.242 1.00 0.00 N ATOM 0 H ARG A 59 7.965 -2.634 -3.811 1.00 0.00 H new ATOM 0 HA ARG A 59 5.933 -0.878 -5.025 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.980 -1.501 -6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.618 -2.989 -6.323 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.356 -4.014 -6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.669 -2.516 -6.968 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.858 -4.051 -8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.149 -4.277 -8.760 1.00 0.00 H new ATOM 0 HE ARG A 59 5.427 -1.526 -8.973 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.137 -4.280 -10.416 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.548 -3.404 -11.894 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.957 -0.394 -10.884 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.878 -1.197 -12.160 1.00 0.00 H new ATOM 893 N ILE A 60 4.148 -2.405 -4.236 1.00 0.00 N ATOM 894 CA ILE A 60 3.102 -3.226 -3.652 1.00 0.00 C ATOM 895 C ILE A 60 2.218 -3.788 -4.767 1.00 0.00 C ATOM 896 O ILE A 60 1.788 -3.051 -5.653 1.00 0.00 O ATOM 897 CB ILE A 60 2.329 -2.436 -2.593 1.00 0.00 C ATOM 898 CG1 ILE A 60 3.140 -2.311 -1.302 1.00 0.00 C ATOM 899 CG2 ILE A 60 0.951 -3.053 -2.347 1.00 0.00 C ATOM 900 CD1 ILE A 60 2.575 -1.208 -0.404 1.00 0.00 C ATOM 0 H ILE A 60 3.838 -1.491 -4.567 1.00 0.00 H new ATOM 0 HA ILE A 60 3.535 -4.078 -3.128 1.00 0.00 H new ATOM 0 HB ILE A 60 2.167 -1.426 -2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.129 -3.261 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.181 -2.092 -1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.422 -2.473 -1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.379 -3.047 -3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.069 -4.080 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.170 -1.140 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.610 -0.255 -0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.542 -1.442 -0.146 1.00 0.00 H new ATOM 912 N GLU A 61 1.973 -5.087 -4.686 1.00 0.00 N ATOM 913 CA GLU A 61 1.148 -5.756 -5.677 1.00 0.00 C ATOM 914 C GLU A 61 0.277 -6.824 -5.011 1.00 0.00 C ATOM 915 O GLU A 61 0.486 -7.162 -3.847 1.00 0.00 O ATOM 916 CB GLU A 61 2.008 -6.365 -6.787 1.00 0.00 C ATOM 917 CG GLU A 61 2.970 -7.413 -6.222 1.00 0.00 C ATOM 918 CD GLU A 61 2.486 -8.829 -6.542 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.393 -9.180 -6.047 1.00 0.00 O ATOM 920 OE2 GLU A 61 3.220 -9.527 -7.274 1.00 0.00 O ATOM 0 H GLU A 61 2.331 -5.694 -3.949 1.00 0.00 H new ATOM 0 HA GLU A 61 0.493 -5.014 -6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.366 -6.823 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.574 -5.579 -7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.965 -7.262 -6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.056 -7.289 -5.142 1.00 0.00 H new ATOM 927 N SER A 62 -0.680 -7.325 -5.778 1.00 0.00 N ATOM 928 CA SER A 62 -1.582 -8.347 -5.276 1.00 0.00 C ATOM 929 C SER A 62 -1.616 -9.535 -6.240 1.00 0.00 C ATOM 930 O SER A 62 -1.700 -9.352 -7.454 1.00 0.00 O ATOM 931 CB SER A 62 -2.992 -7.787 -5.075 1.00 0.00 C ATOM 932 OG SER A 62 -3.970 -8.819 -4.997 1.00 0.00 O ATOM 0 H SER A 62 -0.850 -7.042 -6.743 1.00 0.00 H new ATOM 0 HA SER A 62 -1.212 -8.683 -4.307 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.019 -7.192 -4.162 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.237 -7.117 -5.899 1.00 0.00 H new ATOM 0 HG SER A 62 -3.574 -9.614 -4.583 1.00 0.00 H new ATOM 938 N ASP A 63 -1.547 -10.726 -5.664 1.00 0.00 N ATOM 939 CA ASP A 63 -1.569 -11.943 -6.457 1.00 0.00 C ATOM 940 C ASP A 63 -2.280 -13.046 -5.671 1.00 0.00 C ATOM 941 O ASP A 63 -2.440 -12.943 -4.456 1.00 0.00 O ATOM 942 CB ASP A 63 -0.150 -12.424 -6.767 1.00 0.00 C ATOM 943 CG ASP A 63 0.435 -11.906 -8.082 1.00 0.00 C ATOM 944 OD1 ASP A 63 -0.353 -11.782 -9.044 1.00 0.00 O ATOM 945 OD2 ASP A 63 1.658 -11.647 -8.097 1.00 0.00 O ATOM 0 H ASP A 63 -1.476 -10.874 -4.657 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.089 -11.728 -7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.506 -12.122 -5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.149 -13.514 -6.790 1.00 0.00 H new ATOM 950 N SER A 64 -2.689 -14.077 -6.397 1.00 0.00 N ATOM 951 CA SER A 64 -3.380 -15.198 -5.783 1.00 0.00 C ATOM 952 C SER A 64 -4.443 -14.687 -4.808 1.00 0.00 C ATOM 953 O SER A 64 -4.470 -15.090 -3.646 1.00 0.00 O ATOM 954 CB SER A 64 -2.397 -16.121 -5.060 1.00 0.00 C ATOM 955 OG SER A 64 -2.712 -17.496 -5.259 1.00 0.00 O ATOM 0 H SER A 64 -2.555 -14.159 -7.405 1.00 0.00 H new ATOM 0 HA SER A 64 -3.866 -15.774 -6.571 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.386 -15.925 -5.417 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.407 -15.897 -3.993 1.00 0.00 H new ATOM 0 HG SER A 64 -2.061 -18.053 -4.783 1.00 0.00 H new ATOM 961 N GLY A 65 -5.293 -13.807 -5.317 1.00 0.00 N ATOM 962 CA GLY A 65 -6.355 -13.237 -4.507 1.00 0.00 C ATOM 963 C GLY A 65 -5.829 -12.809 -3.135 1.00 0.00 C ATOM 964 O GLY A 65 -6.485 -13.029 -2.118 1.00 0.00 O ATOM 0 H GLY A 65 -5.267 -13.475 -6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.786 -12.377 -5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.154 -13.968 -4.382 1.00 0.00 H new ATOM 968 N ASN A 66 -4.649 -12.206 -3.152 1.00 0.00 N ATOM 969 CA ASN A 66 -4.027 -11.745 -1.922 1.00 0.00 C ATOM 970 C ASN A 66 -3.093 -10.575 -2.236 1.00 0.00 C ATOM 971 O ASN A 66 -2.817 -10.291 -3.400 1.00 0.00 O ATOM 972 CB ASN A 66 -3.195 -12.855 -1.277 1.00 0.00 C ATOM 973 CG ASN A 66 -4.083 -13.818 -0.486 1.00 0.00 C ATOM 974 OD1 ASN A 66 -4.991 -13.422 0.226 1.00 0.00 O ATOM 975 ND2 ASN A 66 -3.771 -15.100 -0.651 1.00 0.00 N ATOM 0 H ASN A 66 -4.108 -12.026 -3.998 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.818 -11.442 -1.236 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.654 -13.404 -2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.448 -12.417 -0.615 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.305 -15.821 -0.166 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.998 -15.362 -1.263 1.00 0.00 H new ATOM 982 N TRP A 67 -2.633 -9.926 -1.176 1.00 0.00 N ATOM 983 CA TRP A 67 -1.736 -8.792 -1.323 1.00 0.00 C ATOM 984 C TRP A 67 -0.365 -9.202 -0.784 1.00 0.00 C ATOM 985 O TRP A 67 -0.274 -9.907 0.220 1.00 0.00 O ATOM 986 CB TRP A 67 -2.304 -7.550 -0.634 1.00 0.00 C ATOM 987 CG TRP A 67 -3.581 -7.009 -1.279 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.842 -7.421 -1.086 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.672 -5.932 -2.235 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.734 -6.692 -1.845 1.00 0.00 N ATOM 991 CE2 TRP A 67 -5.000 -5.757 -2.566 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.664 -5.132 -2.802 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.443 -4.789 -3.474 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -3.123 -4.168 -3.708 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.457 -3.980 -4.052 1.00 0.00 C ATOM 0 H TRP A 67 -2.865 -10.164 -0.212 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.629 -8.518 -2.372 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.509 -7.788 0.410 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.547 -6.766 -0.639 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.124 -8.223 -0.420 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.746 -6.816 -1.872 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.619 -5.252 -2.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.489 -4.672 -3.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.389 -3.525 -4.172 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.731 -3.214 -4.762 1.00 0.00 H new ATOM 1006 N VAL A 68 0.669 -8.742 -1.474 1.00 0.00 N ATOM 1007 CA VAL A 68 2.032 -9.051 -1.076 1.00 0.00 C ATOM 1008 C VAL A 68 2.881 -7.781 -1.150 1.00 0.00 C ATOM 1009 O VAL A 68 2.533 -6.838 -1.859 1.00 0.00 O ATOM 1010 CB VAL A 68 2.582 -10.190 -1.937 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.580 -11.342 -2.029 1.00 0.00 C ATOM 1012 CG2 VAL A 68 2.968 -9.686 -3.330 1.00 0.00 C ATOM 0 H VAL A 68 0.590 -8.158 -2.306 1.00 0.00 H new ATOM 0 HA VAL A 68 2.059 -9.399 -0.044 1.00 0.00 H new ATOM 0 HB VAL A 68 3.483 -10.569 -1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.996 -12.138 -2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.376 -11.727 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.653 -10.983 -2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.356 -10.515 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.090 -9.268 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.734 -8.915 -3.239 1.00 0.00 H new ATOM 1022 N ILE A 69 3.979 -7.797 -0.408 1.00 0.00 N ATOM 1023 CA ILE A 69 4.880 -6.658 -0.381 1.00 0.00 C ATOM 1024 C ILE A 69 6.286 -7.116 -0.776 1.00 0.00 C ATOM 1025 O ILE A 69 6.687 -8.237 -0.467 1.00 0.00 O ATOM 1026 CB ILE A 69 4.820 -5.960 0.979 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.655 -4.678 0.974 1.00 0.00 C ATOM 1028 CG2 ILE A 69 5.237 -6.911 2.102 1.00 0.00 C ATOM 1029 CD1 ILE A 69 4.958 -3.566 1.762 1.00 0.00 C ATOM 0 H ILE A 69 4.265 -8.581 0.179 1.00 0.00 H new ATOM 0 HA ILE A 69 4.571 -5.910 -1.111 1.00 0.00 H new ATOM 0 HB ILE A 69 3.787 -5.671 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.635 -4.876 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.821 -4.352 -0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.186 -6.390 3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.565 -7.769 2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.258 -7.252 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.573 -2.666 1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.989 -3.353 1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.816 -3.886 2.794 1.00 0.00 H new ATOM 1041 N GLN A 70 6.995 -6.225 -1.453 1.00 0.00 N ATOM 1042 CA GLN A 70 8.348 -6.524 -1.893 1.00 0.00 C ATOM 1043 C GLN A 70 9.234 -5.284 -1.763 1.00 0.00 C ATOM 1044 O GLN A 70 8.919 -4.230 -2.314 1.00 0.00 O ATOM 1045 CB GLN A 70 8.353 -7.054 -3.328 1.00 0.00 C ATOM 1046 CG GLN A 70 9.783 -7.269 -3.829 1.00 0.00 C ATOM 1047 CD GLN A 70 9.787 -7.849 -5.244 1.00 0.00 C ATOM 1048 OE1 GLN A 70 8.967 -7.514 -6.083 1.00 0.00 O ATOM 1049 NE2 GLN A 70 10.754 -8.736 -5.462 1.00 0.00 N ATOM 0 H GLN A 70 6.659 -5.296 -1.708 1.00 0.00 H new ATOM 0 HA GLN A 70 8.754 -7.306 -1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.803 -7.994 -3.374 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.837 -6.350 -3.981 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.322 -6.322 -3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.311 -7.943 -3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.408 -8.971 -4.715 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.842 -9.181 -6.376 1.00 0.00 H new ATOM 1058 N ASP A 71 10.326 -5.451 -1.031 1.00 0.00 N ATOM 1059 CA ASP A 71 11.261 -4.358 -0.822 1.00 0.00 C ATOM 1060 C ASP A 71 12.219 -4.277 -2.012 1.00 0.00 C ATOM 1061 O ASP A 71 13.119 -5.104 -2.146 1.00 0.00 O ATOM 1062 CB ASP A 71 12.094 -4.580 0.442 1.00 0.00 C ATOM 1063 CG ASP A 71 13.432 -3.839 0.473 1.00 0.00 C ATOM 1064 OD1 ASP A 71 13.537 -2.826 -0.252 1.00 0.00 O ATOM 1065 OD2 ASP A 71 14.320 -4.302 1.221 1.00 0.00 O ATOM 0 H ASP A 71 10.584 -6.326 -0.575 1.00 0.00 H new ATOM 0 HA ASP A 71 10.686 -3.438 -0.718 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.505 -4.272 1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.285 -5.648 0.551 1.00 0.00 H new ATOM 1070 N LEU A 72 11.992 -3.272 -2.846 1.00 0.00 N ATOM 1071 CA LEU A 72 12.824 -3.072 -4.020 1.00 0.00 C ATOM 1072 C LEU A 72 14.217 -2.617 -3.581 1.00 0.00 C ATOM 1073 O LEU A 72 14.662 -1.529 -3.944 1.00 0.00 O ATOM 1074 CB LEU A 72 12.145 -2.115 -5.001 1.00 0.00 C ATOM 1075 CG LEU A 72 10.945 -2.677 -5.765 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.125 -3.620 -4.882 1.00 0.00 C ATOM 1077 CD2 LEU A 72 10.090 -1.551 -6.349 1.00 0.00 C ATOM 0 H LEU A 72 11.244 -2.588 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 72 12.951 -4.009 -4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.819 -1.233 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.888 -1.782 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 72 11.319 -3.265 -6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.278 -4.005 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.752 -4.450 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.760 -3.077 -4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.244 -1.978 -6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.724 -0.916 -5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.692 -0.955 -7.035 1.00 0.00 H new ATOM 1089 N GLY A 73 14.868 -3.473 -2.807 1.00 0.00 N ATOM 1090 CA GLY A 73 16.202 -3.173 -2.315 1.00 0.00 C ATOM 1091 C GLY A 73 16.354 -1.679 -2.021 1.00 0.00 C ATOM 1092 O GLY A 73 17.349 -1.065 -2.405 1.00 0.00 O ATOM 0 H GLY A 73 14.496 -4.375 -2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.397 -3.747 -1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.943 -3.479 -3.053 1.00 0.00 H new ATOM 1096 N SER A 74 15.354 -1.137 -1.343 1.00 0.00 N ATOM 1097 CA SER A 74 15.364 0.274 -0.993 1.00 0.00 C ATOM 1098 C SER A 74 16.704 0.645 -0.355 1.00 0.00 C ATOM 1099 O SER A 74 17.569 -0.211 -0.177 1.00 0.00 O ATOM 1100 CB SER A 74 14.212 0.615 -0.046 1.00 0.00 C ATOM 1101 OG SER A 74 13.877 -0.480 0.803 1.00 0.00 O ATOM 0 H SER A 74 14.531 -1.649 -1.026 1.00 0.00 H new ATOM 0 HA SER A 74 15.231 0.854 -1.906 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.487 1.476 0.564 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.337 0.903 -0.629 1.00 0.00 H new ATOM 0 HG SER A 74 13.431 -1.177 0.278 1.00 0.00 H new ATOM 1107 N SER A 75 16.834 1.922 -0.028 1.00 0.00 N ATOM 1108 CA SER A 75 18.053 2.417 0.587 1.00 0.00 C ATOM 1109 C SER A 75 18.143 1.934 2.036 1.00 0.00 C ATOM 1110 O SER A 75 19.066 1.205 2.395 1.00 0.00 O ATOM 1111 CB SER A 75 18.117 3.945 0.532 1.00 0.00 C ATOM 1112 OG SER A 75 19.409 4.412 0.153 1.00 0.00 O ATOM 0 H SER A 75 16.114 2.629 -0.178 1.00 0.00 H new ATOM 0 HA SER A 75 18.902 2.024 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 75 17.376 4.314 -0.177 1.00 0.00 H new ATOM 0 HB3 SER A 75 17.855 4.354 1.508 1.00 0.00 H new ATOM 0 HG SER A 75 19.408 5.392 0.128 1.00 0.00 H new ATOM 1118 N ASN A 76 17.170 2.360 2.829 1.00 0.00 N ATOM 1119 CA ASN A 76 17.127 1.980 4.231 1.00 0.00 C ATOM 1120 C ASN A 76 16.578 0.557 4.352 1.00 0.00 C ATOM 1121 O ASN A 76 17.290 -0.354 4.770 1.00 0.00 O ATOM 1122 CB ASN A 76 16.210 2.911 5.026 1.00 0.00 C ATOM 1123 CG ASN A 76 16.553 4.378 4.760 1.00 0.00 C ATOM 1124 OD1 ASN A 76 17.248 4.718 3.816 1.00 0.00 O ATOM 1125 ND2 ASN A 76 16.030 5.224 5.641 1.00 0.00 N ATOM 0 H ASN A 76 16.406 2.964 2.527 1.00 0.00 H new ATOM 0 HA ASN A 76 18.139 2.045 4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.171 2.722 4.755 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.306 2.699 6.091 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.201 6.225 5.550 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.457 4.872 6.408 1.00 0.00 H new ATOM 1132 N GLY A 77 15.314 0.411 3.980 1.00 0.00 N ATOM 1133 CA GLY A 77 14.661 -0.885 4.042 1.00 0.00 C ATOM 1134 C GLY A 77 13.214 -0.747 4.520 1.00 0.00 C ATOM 1135 O GLY A 77 12.777 0.344 4.882 1.00 0.00 O ATOM 0 H GLY A 77 14.725 1.169 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.680 -1.353 3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.210 -1.541 4.718 1.00 0.00 H new ATOM 1139 N THR A 78 12.510 -1.869 4.505 1.00 0.00 N ATOM 1140 CA THR A 78 11.121 -1.888 4.932 1.00 0.00 C ATOM 1141 C THR A 78 10.954 -2.777 6.166 1.00 0.00 C ATOM 1142 O THR A 78 11.627 -3.799 6.294 1.00 0.00 O ATOM 1143 CB THR A 78 10.266 -2.331 3.743 1.00 0.00 C ATOM 1144 OG1 THR A 78 10.628 -1.429 2.701 1.00 0.00 O ATOM 1145 CG2 THR A 78 8.775 -2.067 3.964 1.00 0.00 C ATOM 0 H THR A 78 12.876 -2.772 4.204 1.00 0.00 H new ATOM 0 HA THR A 78 10.788 -0.896 5.238 1.00 0.00 H new ATOM 0 HB THR A 78 10.423 -3.394 3.558 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.997 -1.933 1.946 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.213 -2.399 3.091 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.435 -2.613 4.844 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.613 -1.000 4.115 1.00 0.00 H new ATOM 1153 N LEU A 79 10.054 -2.357 7.042 1.00 0.00 N ATOM 1154 CA LEU A 79 9.790 -3.103 8.261 1.00 0.00 C ATOM 1155 C LEU A 79 8.311 -3.492 8.305 1.00 0.00 C ATOM 1156 O LEU A 79 7.438 -2.652 8.095 1.00 0.00 O ATOM 1157 CB LEU A 79 10.255 -2.311 9.485 1.00 0.00 C ATOM 1158 CG LEU A 79 11.761 -2.313 9.753 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.150 -1.178 10.702 1.00 0.00 C ATOM 1160 CD2 LEU A 79 12.224 -3.677 10.270 1.00 0.00 C ATOM 0 H LEU A 79 9.498 -1.509 6.932 1.00 0.00 H new ATOM 0 HA LEU A 79 10.364 -4.030 8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.928 -1.278 9.370 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.749 -2.709 10.364 1.00 0.00 H new ATOM 0 HG LEU A 79 12.276 -2.135 8.809 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.226 -1.202 10.876 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.876 -0.222 10.257 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.626 -1.301 11.650 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.298 -3.651 10.453 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.704 -3.910 11.199 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.000 -4.443 9.527 1.00 0.00 H new ATOM 1172 N LEU A 80 8.076 -4.767 8.579 1.00 0.00 N ATOM 1173 CA LEU A 80 6.718 -5.278 8.654 1.00 0.00 C ATOM 1174 C LEU A 80 6.493 -5.918 10.025 1.00 0.00 C ATOM 1175 O LEU A 80 6.970 -7.021 10.285 1.00 0.00 O ATOM 1176 CB LEU A 80 6.434 -6.220 7.482 1.00 0.00 C ATOM 1177 CG LEU A 80 4.959 -6.470 7.164 1.00 0.00 C ATOM 1178 CD1 LEU A 80 4.164 -5.163 7.183 1.00 0.00 C ATOM 1179 CD2 LEU A 80 4.803 -7.216 5.838 1.00 0.00 C ATOM 0 H LEU A 80 8.803 -5.461 8.752 1.00 0.00 H new ATOM 0 HA LEU A 80 6.000 -4.464 8.560 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.913 -5.814 6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.908 -7.179 7.690 1.00 0.00 H new ATOM 0 HG LEU A 80 4.546 -7.109 7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.119 -5.370 6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.236 -4.708 8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.570 -4.479 6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.745 -7.381 5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.238 -6.623 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.315 -8.176 5.898 1.00 0.00 H new ATOM 1191 N ASN A 81 5.766 -5.197 10.867 1.00 0.00 N ATOM 1192 CA ASN A 81 5.472 -5.681 12.205 1.00 0.00 C ATOM 1193 C ASN A 81 6.773 -6.109 12.886 1.00 0.00 C ATOM 1194 O ASN A 81 7.097 -7.295 12.923 1.00 0.00 O ATOM 1195 CB ASN A 81 4.540 -6.894 12.160 1.00 0.00 C ATOM 1196 CG ASN A 81 3.273 -6.583 11.362 1.00 0.00 C ATOM 1197 OD1 ASN A 81 2.466 -5.745 11.731 1.00 0.00 O ATOM 1198 ND2 ASN A 81 3.143 -7.302 10.251 1.00 0.00 N ATOM 0 H ASN A 81 5.372 -4.282 10.648 1.00 0.00 H new ATOM 0 HA ASN A 81 4.988 -4.875 12.756 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.059 -7.740 11.709 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.272 -7.189 13.175 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.330 -7.168 9.649 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.856 -7.987 10.001 1.00 0.00 H new ATOM 1205 N SER A 82 7.485 -5.120 13.406 1.00 0.00 N ATOM 1206 CA SER A 82 8.744 -5.380 14.083 1.00 0.00 C ATOM 1207 C SER A 82 9.503 -6.497 13.366 1.00 0.00 C ATOM 1208 O SER A 82 9.968 -7.443 14.000 1.00 0.00 O ATOM 1209 CB SER A 82 8.514 -5.750 15.550 1.00 0.00 C ATOM 1210 OG SER A 82 8.536 -4.606 16.399 1.00 0.00 O ATOM 0 H SER A 82 7.214 -4.137 13.372 1.00 0.00 H new ATOM 0 HA SER A 82 9.342 -4.469 14.056 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.554 -6.257 15.650 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.282 -6.454 15.871 1.00 0.00 H new ATOM 0 HG SER A 82 8.384 -4.884 17.326 1.00 0.00 H new ATOM 1216 N ASN A 83 9.606 -6.351 12.053 1.00 0.00 N ATOM 1217 CA ASN A 83 10.301 -7.337 11.242 1.00 0.00 C ATOM 1218 C ASN A 83 10.814 -6.669 9.965 1.00 0.00 C ATOM 1219 O ASN A 83 10.073 -5.955 9.292 1.00 0.00 O ATOM 1220 CB ASN A 83 9.363 -8.476 10.836 1.00 0.00 C ATOM 1221 CG ASN A 83 10.136 -9.785 10.660 1.00 0.00 C ATOM 1222 OD1 ASN A 83 10.679 -10.346 11.598 1.00 0.00 O ATOM 1223 ND2 ASN A 83 10.153 -10.239 9.411 1.00 0.00 N ATOM 0 H ASN A 83 9.220 -5.565 11.530 1.00 0.00 H new ATOM 0 HA ASN A 83 11.124 -7.741 11.832 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.591 -8.604 11.595 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.856 -8.221 9.905 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.641 -11.107 9.190 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.678 -9.720 8.673 1.00 0.00 H new ATOM 1230 N ALA A 84 12.080 -6.926 9.669 1.00 0.00 N ATOM 1231 CA ALA A 84 12.701 -6.360 8.484 1.00 0.00 C ATOM 1232 C ALA A 84 12.453 -7.285 7.291 1.00 0.00 C ATOM 1233 O ALA A 84 12.757 -8.475 7.351 1.00 0.00 O ATOM 1234 CB ALA A 84 14.192 -6.134 8.747 1.00 0.00 C ATOM 0 H ALA A 84 12.692 -7.519 10.230 1.00 0.00 H new ATOM 0 HA ALA A 84 12.261 -5.391 8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.658 -5.709 7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.314 -5.446 9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.667 -7.085 8.987 1.00 0.00 H new ATOM 1240 N LEU A 85 11.904 -6.702 6.235 1.00 0.00 N ATOM 1241 CA LEU A 85 11.612 -7.459 5.030 1.00 0.00 C ATOM 1242 C LEU A 85 12.914 -7.727 4.273 1.00 0.00 C ATOM 1243 O LEU A 85 13.995 -7.390 4.752 1.00 0.00 O ATOM 1244 CB LEU A 85 10.548 -6.745 4.193 1.00 0.00 C ATOM 1245 CG LEU A 85 9.216 -6.471 4.894 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.372 -5.475 4.096 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.461 -7.774 5.165 1.00 0.00 C ATOM 0 H LEU A 85 11.654 -5.714 6.189 1.00 0.00 H new ATOM 0 HA LEU A 85 11.186 -8.430 5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.959 -5.795 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.351 -7.344 3.304 1.00 0.00 H new ATOM 0 HG LEU A 85 9.426 -6.014 5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.431 -5.297 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.915 -4.535 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.168 -5.882 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.518 -7.551 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.261 -8.282 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.065 -8.419 5.803 1.00 0.00 H new ATOM 1259 N ASP A 86 12.767 -8.329 3.102 1.00 0.00 N ATOM 1260 CA ASP A 86 13.918 -8.646 2.273 1.00 0.00 C ATOM 1261 C ASP A 86 13.554 -8.436 0.802 1.00 0.00 C ATOM 1262 O ASP A 86 12.397 -8.593 0.416 1.00 0.00 O ATOM 1263 CB ASP A 86 14.341 -10.105 2.453 1.00 0.00 C ATOM 1264 CG ASP A 86 15.832 -10.317 2.725 1.00 0.00 C ATOM 1265 OD1 ASP A 86 16.398 -9.481 3.462 1.00 0.00 O ATOM 1266 OD2 ASP A 86 16.371 -11.309 2.189 1.00 0.00 O ATOM 0 H ASP A 86 11.868 -8.606 2.707 1.00 0.00 H new ATOM 0 HA ASP A 86 14.739 -7.994 2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.772 -10.533 3.278 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.068 -10.660 1.555 1.00 0.00 H new ATOM 1271 N PRO A 87 14.591 -8.076 0.000 1.00 0.00 N ATOM 1272 CA PRO A 87 14.393 -7.843 -1.421 1.00 0.00 C ATOM 1273 C PRO A 87 14.224 -9.164 -2.174 1.00 0.00 C ATOM 1274 O PRO A 87 13.480 -9.235 -3.152 1.00 0.00 O ATOM 1275 CB PRO A 87 15.616 -7.058 -1.866 1.00 0.00 C ATOM 1276 CG PRO A 87 16.668 -7.280 -0.791 1.00 0.00 C ATOM 1277 CD PRO A 87 15.975 -7.880 0.422 1.00 0.00 C ATOM 0 HA PRO A 87 13.481 -7.286 -1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.970 -7.405 -2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.383 -5.998 -1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.449 -7.948 -1.154 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.150 -6.338 -0.528 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.437 -8.823 0.716 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.036 -7.214 1.283 1.00 0.00 H new ATOM 1285 N GLU A 88 14.926 -10.178 -1.691 1.00 0.00 N ATOM 1286 CA GLU A 88 14.864 -11.493 -2.307 1.00 0.00 C ATOM 1287 C GLU A 88 13.793 -12.347 -1.625 1.00 0.00 C ATOM 1288 O GLU A 88 13.923 -13.568 -1.551 1.00 0.00 O ATOM 1289 CB GLU A 88 16.228 -12.184 -2.263 1.00 0.00 C ATOM 1290 CG GLU A 88 17.258 -11.417 -3.093 1.00 0.00 C ATOM 1291 CD GLU A 88 18.345 -12.355 -3.623 1.00 0.00 C ATOM 1292 OE1 GLU A 88 17.982 -13.257 -4.409 1.00 0.00 O ATOM 1293 OE2 GLU A 88 19.513 -12.150 -3.229 1.00 0.00 O ATOM 0 H GLU A 88 15.541 -10.116 -0.880 1.00 0.00 H new ATOM 0 HA GLU A 88 14.590 -11.370 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.569 -12.257 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.136 -13.202 -2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.762 -10.922 -3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.712 -10.636 -2.483 1.00 0.00 H new ATOM 1300 N THR A 89 12.760 -11.672 -1.144 1.00 0.00 N ATOM 1301 CA THR A 89 11.668 -12.355 -0.471 1.00 0.00 C ATOM 1302 C THR A 89 10.369 -11.559 -0.620 1.00 0.00 C ATOM 1303 O THR A 89 10.393 -10.331 -0.674 1.00 0.00 O ATOM 1304 CB THR A 89 12.078 -12.581 0.985 1.00 0.00 C ATOM 1305 OG1 THR A 89 13.205 -13.449 0.898 1.00 0.00 O ATOM 1306 CG2 THR A 89 11.042 -13.393 1.766 1.00 0.00 C ATOM 0 H THR A 89 12.656 -10.659 -1.207 1.00 0.00 H new ATOM 0 HA THR A 89 11.471 -13.327 -0.923 1.00 0.00 H new ATOM 0 HB THR A 89 12.228 -11.618 1.473 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.266 -13.816 -0.009 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.382 -13.525 2.793 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.089 -12.864 1.764 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.916 -14.369 1.298 1.00 0.00 H new ATOM 1314 N SER A 90 9.268 -12.292 -0.681 1.00 0.00 N ATOM 1315 CA SER A 90 7.962 -11.671 -0.823 1.00 0.00 C ATOM 1316 C SER A 90 7.011 -12.200 0.253 1.00 0.00 C ATOM 1317 O SER A 90 6.754 -13.401 0.322 1.00 0.00 O ATOM 1318 CB SER A 90 7.380 -11.922 -2.216 1.00 0.00 C ATOM 1319 OG SER A 90 7.130 -13.305 -2.448 1.00 0.00 O ATOM 0 H SER A 90 9.253 -13.311 -0.635 1.00 0.00 H new ATOM 0 HA SER A 90 8.080 -10.595 -0.697 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.452 -11.362 -2.327 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.071 -11.547 -2.971 1.00 0.00 H new ATOM 0 HG SER A 90 6.948 -13.752 -1.595 1.00 0.00 H new ATOM 1325 N VAL A 91 6.515 -11.278 1.064 1.00 0.00 N ATOM 1326 CA VAL A 91 5.598 -11.636 2.133 1.00 0.00 C ATOM 1327 C VAL A 91 4.175 -11.244 1.732 1.00 0.00 C ATOM 1328 O VAL A 91 3.983 -10.397 0.860 1.00 0.00 O ATOM 1329 CB VAL A 91 6.048 -10.993 3.446 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.210 -11.501 4.621 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.539 -11.232 3.692 1.00 0.00 C ATOM 0 H VAL A 91 6.731 -10.283 1.003 1.00 0.00 H new ATOM 0 HA VAL A 91 5.604 -12.714 2.296 1.00 0.00 H new ATOM 0 HB VAL A 91 5.891 -9.918 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.551 -11.028 5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.161 -11.255 4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.320 -12.582 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.832 -10.764 4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.732 -12.304 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.117 -10.799 2.875 1.00 0.00 H new ATOM 1341 N ASN A 92 3.214 -11.878 2.386 1.00 0.00 N ATOM 1342 CA ASN A 92 1.814 -11.606 2.108 1.00 0.00 C ATOM 1343 C ASN A 92 1.281 -10.603 3.133 1.00 0.00 C ATOM 1344 O ASN A 92 1.249 -10.889 4.329 1.00 0.00 O ATOM 1345 CB ASN A 92 0.973 -12.880 2.213 1.00 0.00 C ATOM 1346 CG ASN A 92 1.003 -13.441 3.636 1.00 0.00 C ATOM 1347 OD1 ASN A 92 0.145 -13.166 4.458 1.00 0.00 O ATOM 1348 ND2 ASN A 92 2.037 -14.242 3.880 1.00 0.00 N ATOM 0 H ASN A 92 3.377 -12.580 3.108 1.00 0.00 H new ATOM 0 HA ASN A 92 1.743 -11.209 1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.056 -12.666 1.924 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.350 -13.628 1.515 1.00 0.00 H new ATOM 0 HD21 ASN A 92 2.147 -14.667 4.801 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.720 -14.431 3.146 1.00 0.00 H new ATOM 1355 N LEU A 93 0.875 -9.447 2.627 1.00 0.00 N ATOM 1356 CA LEU A 93 0.344 -8.400 3.483 1.00 0.00 C ATOM 1357 C LEU A 93 -0.805 -8.965 4.320 1.00 0.00 C ATOM 1358 O LEU A 93 -1.277 -10.072 4.066 1.00 0.00 O ATOM 1359 CB LEU A 93 -0.043 -7.174 2.654 1.00 0.00 C ATOM 1360 CG LEU A 93 1.114 -6.295 2.176 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.648 -5.311 1.101 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.784 -5.583 3.353 1.00 0.00 C ATOM 0 H LEU A 93 0.903 -9.213 1.635 1.00 0.00 H new ATOM 0 HA LEU A 93 1.107 -8.055 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.601 -7.512 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.720 -6.559 3.246 1.00 0.00 H new ATOM 0 HG LEU A 93 1.865 -6.939 1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.490 -4.698 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.254 -5.864 0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.133 -4.669 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.603 -4.965 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.054 -4.953 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.173 -6.323 4.052 1.00 0.00 H new ATOM 1374 N GLY A 94 -1.223 -8.178 5.301 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.309 -8.586 6.176 1.00 0.00 C ATOM 1376 C GLY A 94 -2.963 -7.372 6.841 1.00 0.00 C ATOM 1377 O GLY A 94 -2.319 -6.341 7.028 1.00 0.00 O ATOM 0 H GLY A 94 -0.829 -7.260 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.055 -9.137 5.603 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.930 -9.264 6.941 1.00 0.00 H new ATOM 1381 N ASP A 95 -4.233 -7.536 7.178 1.00 0.00 N ATOM 1382 CA ASP A 95 -4.981 -6.467 7.818 1.00 0.00 C ATOM 1383 C ASP A 95 -4.432 -6.239 9.228 1.00 0.00 C ATOM 1384 O ASP A 95 -4.547 -7.108 10.091 1.00 0.00 O ATOM 1385 CB ASP A 95 -6.463 -6.828 7.940 1.00 0.00 C ATOM 1386 CG ASP A 95 -7.226 -6.068 9.026 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -7.405 -4.845 8.844 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -7.614 -6.728 10.015 1.00 0.00 O ATOM 0 H ASP A 95 -4.763 -8.393 7.020 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.877 -5.570 7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.947 -6.644 6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.546 -7.897 8.139 1.00 0.00 H new ATOM 1393 N GLY A 96 -3.848 -5.065 9.418 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.281 -4.712 10.708 1.00 0.00 C ATOM 1395 C GLY A 96 -1.752 -4.765 10.669 1.00 0.00 C ATOM 1396 O GLY A 96 -1.100 -4.734 11.711 1.00 0.00 O ATOM 0 H GLY A 96 -3.755 -4.346 8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.606 -3.711 10.990 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.653 -5.395 11.472 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.226 -4.845 9.455 1.00 0.00 N ATOM 1401 CA ASP A 97 0.213 -4.903 9.266 1.00 0.00 C ATOM 1402 C ASP A 97 0.769 -3.481 9.172 1.00 0.00 C ATOM 1403 O ASP A 97 0.329 -2.693 8.337 1.00 0.00 O ATOM 1404 CB ASP A 97 0.570 -5.636 7.972 1.00 0.00 C ATOM 1405 CG ASP A 97 0.380 -7.154 8.015 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -0.342 -7.610 8.928 1.00 0.00 O ATOM 1407 OD2 ASP A 97 0.961 -7.824 7.134 1.00 0.00 O ATOM 0 H ASP A 97 -1.771 -4.871 8.593 1.00 0.00 H new ATOM 0 HA ASP A 97 0.642 -5.437 10.113 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.039 -5.232 7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.610 -5.422 7.726 1.00 0.00 H new ATOM 1412 N VAL A 98 1.727 -3.196 10.042 1.00 0.00 N ATOM 1413 CA VAL A 98 2.348 -1.882 10.067 1.00 0.00 C ATOM 1414 C VAL A 98 3.636 -1.915 9.243 1.00 0.00 C ATOM 1415 O VAL A 98 4.590 -2.602 9.603 1.00 0.00 O ATOM 1416 CB VAL A 98 2.575 -1.438 11.514 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.758 -0.473 11.612 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.308 -0.814 12.101 1.00 0.00 C ATOM 0 H VAL A 98 2.088 -3.852 10.734 1.00 0.00 H new ATOM 0 HA VAL A 98 1.691 -1.141 9.613 1.00 0.00 H new ATOM 0 HB VAL A 98 2.816 -2.323 12.102 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.898 -0.173 12.651 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.661 -0.967 11.252 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.559 0.409 11.003 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.497 -0.507 13.130 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.023 0.056 11.509 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.500 -1.545 12.083 1.00 0.00 H new ATOM 1428 N ILE A 99 3.622 -1.163 8.152 1.00 0.00 N ATOM 1429 CA ILE A 99 4.778 -1.098 7.273 1.00 0.00 C ATOM 1430 C ILE A 99 5.626 0.121 7.643 1.00 0.00 C ATOM 1431 O ILE A 99 5.217 1.258 7.415 1.00 0.00 O ATOM 1432 CB ILE A 99 4.339 -1.119 5.808 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.330 -2.241 5.554 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.548 -1.214 4.875 1.00 0.00 C ATOM 1435 CD1 ILE A 99 2.714 -2.120 4.159 1.00 0.00 C ATOM 0 H ILE A 99 2.829 -0.594 7.857 1.00 0.00 H new ATOM 0 HA ILE A 99 5.408 -1.978 7.406 1.00 0.00 H new ATOM 0 HB ILE A 99 3.836 -0.177 5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 99 3.823 -3.208 5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.543 -2.204 6.307 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.208 -1.227 3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.198 -0.353 5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.100 -2.129 5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.001 -2.930 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.201 -1.162 4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.501 -2.182 3.407 1.00 0.00 H new ATOM 1447 N LYS A 100 6.791 -0.159 8.208 1.00 0.00 N ATOM 1448 CA LYS A 100 7.701 0.901 8.611 1.00 0.00 C ATOM 1449 C LYS A 100 8.799 1.054 7.557 1.00 0.00 C ATOM 1450 O LYS A 100 9.709 0.229 7.479 1.00 0.00 O ATOM 1451 CB LYS A 100 8.234 0.640 10.022 1.00 0.00 C ATOM 1452 CG LYS A 100 7.416 1.403 11.066 1.00 0.00 C ATOM 1453 CD LYS A 100 7.593 0.788 12.456 1.00 0.00 C ATOM 1454 CE LYS A 100 7.295 -0.712 12.434 1.00 0.00 C ATOM 1455 NZ LYS A 100 6.658 -1.133 13.702 1.00 0.00 N ATOM 0 H LYS A 100 7.126 -1.104 8.396 1.00 0.00 H new ATOM 0 HA LYS A 100 7.176 1.855 8.664 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.199 -0.428 10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.279 0.943 10.082 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.726 2.448 11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.362 1.388 10.789 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.612 0.955 12.804 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.929 1.284 13.164 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.639 -0.946 11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.219 -1.270 12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.463 -2.154 13.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.297 -0.927 14.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.766 -0.614 13.832 1.00 0.00 H new ATOM 1469 N LEU A 101 8.677 2.114 6.772 1.00 0.00 N ATOM 1470 CA LEU A 101 9.648 2.385 5.726 1.00 0.00 C ATOM 1471 C LEU A 101 10.190 3.806 5.894 1.00 0.00 C ATOM 1472 O LEU A 101 9.599 4.619 6.603 1.00 0.00 O ATOM 1473 CB LEU A 101 9.040 2.119 4.347 1.00 0.00 C ATOM 1474 CG LEU A 101 7.989 3.124 3.872 1.00 0.00 C ATOM 1475 CD1 LEU A 101 8.059 3.316 2.356 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.589 2.713 4.334 1.00 0.00 C ATOM 0 H LEU A 101 7.921 2.795 6.839 1.00 0.00 H new ATOM 0 HA LEU A 101 10.497 1.707 5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.847 2.094 3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.588 1.127 4.357 1.00 0.00 H new ATOM 0 HG LEU A 101 8.209 4.089 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.301 4.035 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.046 3.687 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.879 2.362 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.861 3.444 3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.344 1.732 3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.563 2.669 5.423 1.00 0.00 H new ATOM 1488 N GLY A 102 11.307 4.063 5.230 1.00 0.00 N ATOM 1489 CA GLY A 102 11.935 5.371 5.298 1.00 0.00 C ATOM 1490 C GLY A 102 12.526 5.625 6.686 1.00 0.00 C ATOM 1491 O GLY A 102 13.100 4.723 7.295 1.00 0.00 O ATOM 0 H GLY A 102 11.794 3.387 4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.721 5.440 4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.202 6.143 5.064 1.00 0.00 H new ATOM 1495 N GLU A 103 12.366 6.857 7.147 1.00 0.00 N ATOM 1496 CA GLU A 103 12.877 7.240 8.451 1.00 0.00 C ATOM 1497 C GLU A 103 11.903 6.810 9.550 1.00 0.00 C ATOM 1498 O GLU A 103 12.193 5.895 10.319 1.00 0.00 O ATOM 1499 CB GLU A 103 13.145 8.745 8.515 1.00 0.00 C ATOM 1500 CG GLU A 103 13.989 9.202 7.323 1.00 0.00 C ATOM 1501 CD GLU A 103 14.314 10.694 7.422 1.00 0.00 C ATOM 1502 OE1 GLU A 103 13.395 11.452 7.800 1.00 0.00 O ATOM 1503 OE2 GLU A 103 15.475 11.044 7.117 1.00 0.00 O ATOM 0 H GLU A 103 11.889 7.603 6.640 1.00 0.00 H new ATOM 0 HA GLU A 103 13.826 6.728 8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.199 9.287 8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.660 8.987 9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.914 8.626 7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.452 9.004 6.395 1.00 0.00 H new ATOM 1510 N TYR A 104 10.767 7.491 9.589 1.00 0.00 N ATOM 1511 CA TYR A 104 9.748 7.191 10.581 1.00 0.00 C ATOM 1512 C TYR A 104 8.353 7.197 9.953 1.00 0.00 C ATOM 1513 O TYR A 104 7.456 7.889 10.432 1.00 0.00 O ATOM 1514 CB TYR A 104 9.831 8.310 11.622 1.00 0.00 C ATOM 1515 CG TYR A 104 11.146 8.336 12.404 1.00 0.00 C ATOM 1516 CD1 TYR A 104 11.337 7.471 13.462 1.00 0.00 C ATOM 1517 CD2 TYR A 104 12.140 9.226 12.051 1.00 0.00 C ATOM 1518 CE1 TYR A 104 12.575 7.496 14.198 1.00 0.00 C ATOM 1519 CE2 TYR A 104 13.378 9.251 12.787 1.00 0.00 C ATOM 1520 CZ TYR A 104 13.534 8.385 13.824 1.00 0.00 C ATOM 1521 OH TYR A 104 14.703 8.409 14.519 1.00 0.00 O ATOM 0 H TYR A 104 10.530 8.250 8.950 1.00 0.00 H new ATOM 0 HA TYR A 104 9.912 6.204 11.014 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.699 9.269 11.121 1.00 0.00 H new ATOM 0 HB3 TYR A 104 9.005 8.201 12.324 1.00 0.00 H new ATOM 0 HD1 TYR A 104 10.558 6.775 13.738 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.990 9.903 11.223 1.00 0.00 H new ATOM 0 HE1 TYR A 104 12.738 6.824 15.028 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.165 9.942 12.521 1.00 0.00 H new ATOM 0 HH TYR A 104 15.295 9.092 14.140 1.00 0.00 H new ATOM 1531 N THR A 105 8.214 6.418 8.891 1.00 0.00 N ATOM 1532 CA THR A 105 6.943 6.325 8.192 1.00 0.00 C ATOM 1533 C THR A 105 6.321 4.943 8.400 1.00 0.00 C ATOM 1534 O THR A 105 6.919 3.929 8.043 1.00 0.00 O ATOM 1535 CB THR A 105 7.186 6.667 6.721 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.193 8.092 6.693 1.00 0.00 O ATOM 1537 CG2 THR A 105 6.005 6.282 5.827 1.00 0.00 C ATOM 0 H THR A 105 8.960 5.845 8.497 1.00 0.00 H new ATOM 0 HA THR A 105 6.219 7.036 8.590 1.00 0.00 H new ATOM 0 HB THR A 105 8.085 6.158 6.374 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.092 8.410 6.467 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.230 6.546 4.794 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.830 5.208 5.897 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.113 6.817 6.153 1.00 0.00 H new ATOM 1545 N SER A 106 5.128 4.946 8.975 1.00 0.00 N ATOM 1546 CA SER A 106 4.418 3.705 9.234 1.00 0.00 C ATOM 1547 C SER A 106 3.109 3.676 8.442 1.00 0.00 C ATOM 1548 O SER A 106 2.343 4.638 8.466 1.00 0.00 O ATOM 1549 CB SER A 106 4.137 3.533 10.728 1.00 0.00 C ATOM 1550 OG SER A 106 5.305 3.739 11.518 1.00 0.00 O ATOM 0 H SER A 106 4.634 5.789 9.269 1.00 0.00 H new ATOM 0 HA SER A 106 5.049 2.877 8.912 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.363 4.237 11.035 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.748 2.531 10.911 1.00 0.00 H new ATOM 0 HG SER A 106 5.126 3.468 12.443 1.00 0.00 H new ATOM 1556 N ILE A 107 2.893 2.562 7.758 1.00 0.00 N ATOM 1557 CA ILE A 107 1.691 2.394 6.960 1.00 0.00 C ATOM 1558 C ILE A 107 0.910 1.181 7.470 1.00 0.00 C ATOM 1559 O ILE A 107 1.469 0.096 7.617 1.00 0.00 O ATOM 1560 CB ILE A 107 2.041 2.318 5.473 1.00 0.00 C ATOM 1561 CG1 ILE A 107 2.995 3.447 5.076 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.777 2.307 4.611 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.555 3.223 3.670 1.00 0.00 C ATOM 0 H ILE A 107 3.531 1.766 7.740 1.00 0.00 H new ATOM 0 HA ILE A 107 1.039 3.261 7.067 1.00 0.00 H new ATOM 0 HB ILE A 107 2.561 1.377 5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.470 4.402 5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.814 3.504 5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.055 2.253 3.558 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.167 1.442 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.207 3.219 4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.230 4.039 3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 107 4.100 2.279 3.641 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.735 3.190 2.953 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.370 1.407 7.727 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.233 0.346 8.217 1.00 0.00 C ATOM 1577 C LEU A 108 -1.986 -0.278 7.041 1.00 0.00 C ATOM 1578 O LEU A 108 -2.539 0.434 6.204 1.00 0.00 O ATOM 1579 CB LEU A 108 -2.149 0.870 9.325 1.00 0.00 C ATOM 1580 CG LEU A 108 -2.511 -0.130 10.425 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -3.165 0.576 11.615 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -3.388 -1.257 9.875 1.00 0.00 C ATOM 0 H LEU A 108 -0.830 2.309 7.605 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.640 -0.447 8.673 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.669 1.732 9.789 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.072 1.227 8.868 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.590 -0.586 10.788 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.412 -0.158 12.382 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.474 1.312 12.026 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.075 1.077 11.285 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.631 -1.954 10.677 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.308 -0.837 9.469 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.851 -1.784 9.087 1.00 0.00 H new ATOM 1594 N VAL A 109 -1.984 -1.603 7.014 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.660 -2.331 5.954 1.00 0.00 C ATOM 1596 C VAL A 109 -4.064 -2.718 6.422 1.00 0.00 C ATOM 1597 O VAL A 109 -4.217 -3.498 7.360 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.819 -3.537 5.528 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.629 -4.485 4.642 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.536 -3.089 4.824 1.00 0.00 C ATOM 0 H VAL A 109 -1.525 -2.191 7.709 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.773 -1.702 5.071 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.534 -4.082 6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.008 -5.333 4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.499 -4.843 5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.958 -3.955 3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.043 -3.965 4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.791 -2.510 3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.055 -2.473 5.502 1.00 0.00 H new ATOM 1610 N ASN A 110 -5.054 -2.153 5.746 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.441 -2.429 6.081 1.00 0.00 C ATOM 1612 C ASN A 110 -7.159 -2.982 4.848 1.00 0.00 C ATOM 1613 O ASN A 110 -7.018 -2.445 3.750 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.166 -1.154 6.517 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.249 -1.065 8.042 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -8.267 -0.713 8.615 1.00 0.00 O ATOM 1617 ND2 ASN A 110 -6.123 -1.403 8.666 1.00 0.00 N ATOM 0 H ASN A 110 -4.923 -1.506 4.968 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.453 -3.149 6.899 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.642 -0.282 6.126 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.170 -1.139 6.093 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.077 -1.376 9.685 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.306 -1.689 8.126 1.00 0.00 H new ATOM 1624 N PHE A 111 -7.912 -4.049 5.070 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.652 -4.681 3.991 1.00 0.00 C ATOM 1626 C PHE A 111 -10.100 -4.190 3.958 1.00 0.00 C ATOM 1627 O PHE A 111 -10.881 -4.486 4.862 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.642 -6.187 4.264 1.00 0.00 C ATOM 1629 CG PHE A 111 -7.292 -6.858 4.004 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.548 -6.493 2.925 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.836 -7.818 4.852 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -5.295 -7.116 2.684 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.582 -8.441 4.611 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.838 -8.077 3.532 1.00 0.00 C ATOM 0 H PHE A 111 -8.026 -4.492 5.982 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.193 -4.438 3.033 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.928 -6.360 5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.399 -6.664 3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.910 -5.730 2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.427 -8.107 5.709 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.704 -6.827 1.827 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.220 -9.204 5.284 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.885 -8.551 3.348 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.416 -3.448 2.907 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.757 -2.913 2.744 1.00 0.00 C ATOM 1646 C VAL A 112 -12.556 -3.825 1.811 1.00 0.00 C ATOM 1647 O VAL A 112 -12.281 -3.888 0.614 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.687 -1.466 2.250 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -13.069 -0.810 2.279 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.678 -0.657 3.067 1.00 0.00 C ATOM 0 H VAL A 112 -9.766 -3.205 2.160 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.278 -2.891 3.701 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.345 -1.480 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -12.992 0.217 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -13.750 -1.367 1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.452 -0.813 3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.647 0.367 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -10.977 -0.654 4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.690 -1.107 2.973 1.00 0.00 H new ATOM 1660 N SER A 113 -13.529 -4.509 2.395 1.00 0.00 N ATOM 1661 CA SER A 113 -14.369 -5.415 1.631 1.00 0.00 C ATOM 1662 C SER A 113 -15.689 -4.728 1.272 1.00 0.00 C ATOM 1663 O SER A 113 -16.719 -4.993 1.890 1.00 0.00 O ATOM 1664 CB SER A 113 -14.637 -6.705 2.408 1.00 0.00 C ATOM 1665 OG SER A 113 -15.075 -7.760 1.556 1.00 0.00 O ATOM 0 H SER A 113 -13.754 -4.454 3.388 1.00 0.00 H new ATOM 0 HA SER A 113 -13.842 -5.678 0.714 1.00 0.00 H new ATOM 0 HB2 SER A 113 -13.729 -7.011 2.927 1.00 0.00 H new ATOM 0 HB3 SER A 113 -15.392 -6.518 3.171 1.00 0.00 H new ATOM 0 HG SER A 113 -14.826 -8.623 1.949 1.00 0.00 H new ATOM 1671 N GLY A 114 -15.614 -3.859 0.275 1.00 0.00 N ATOM 1672 CA GLY A 114 -16.789 -3.132 -0.174 1.00 0.00 C ATOM 1673 C GLY A 114 -16.992 -1.857 0.648 1.00 0.00 C ATOM 1674 O GLY A 114 -16.065 -1.383 1.303 1.00 0.00 O ATOM 0 H GLY A 114 -14.758 -3.642 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -16.682 -2.876 -1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -17.670 -3.768 -0.088 1.00 0.00 H new ATOM 1678 N PRO A 115 -18.242 -1.324 0.584 1.00 0.00 N ATOM 1679 CA PRO A 115 -18.578 -0.114 1.313 1.00 0.00 C ATOM 1680 C PRO A 115 -18.739 -0.401 2.808 1.00 0.00 C ATOM 1681 O PRO A 115 -18.564 -1.537 3.247 1.00 0.00 O ATOM 1682 CB PRO A 115 -19.855 0.395 0.665 1.00 0.00 C ATOM 1683 CG PRO A 115 -20.439 -0.788 -0.090 1.00 0.00 C ATOM 1684 CD PRO A 115 -19.364 -1.859 -0.182 1.00 0.00 C ATOM 0 HA PRO A 115 -17.793 0.640 1.260 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -20.554 0.763 1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -19.646 1.225 -0.010 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -21.319 -1.173 0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -20.761 -0.484 -1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -19.711 -2.805 0.233 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -19.082 -2.049 -1.218 1.00 0.00 H new ATOM 1692 N SER A 116 -19.071 0.647 3.547 1.00 0.00 N ATOM 1693 CA SER A 116 -19.259 0.522 4.982 1.00 0.00 C ATOM 1694 C SER A 116 -20.741 0.322 5.301 1.00 0.00 C ATOM 1695 O SER A 116 -21.503 1.286 5.357 1.00 0.00 O ATOM 1696 CB SER A 116 -18.718 1.750 5.718 1.00 0.00 C ATOM 1697 OG SER A 116 -17.390 2.072 5.314 1.00 0.00 O ATOM 0 H SER A 116 -19.215 1.587 3.179 1.00 0.00 H new ATOM 0 HA SER A 116 -18.700 -0.349 5.325 1.00 0.00 H new ATOM 0 HB2 SER A 116 -19.371 2.602 5.530 1.00 0.00 H new ATOM 0 HB3 SER A 116 -18.736 1.566 6.792 1.00 0.00 H new ATOM 0 HG SER A 116 -17.081 2.862 5.805 1.00 0.00 H new ATOM 1703 N SER A 117 -21.107 -0.936 5.502 1.00 0.00 N ATOM 1704 CA SER A 117 -22.485 -1.274 5.814 1.00 0.00 C ATOM 1705 C SER A 117 -22.732 -1.130 7.317 1.00 0.00 C ATOM 1706 O SER A 117 -21.956 -1.633 8.128 1.00 0.00 O ATOM 1707 CB SER A 117 -22.821 -2.695 5.355 1.00 0.00 C ATOM 1708 OG SER A 117 -24.217 -2.967 5.439 1.00 0.00 O ATOM 0 H SER A 117 -20.473 -1.733 5.455 1.00 0.00 H new ATOM 0 HA SER A 117 -23.136 -0.584 5.277 1.00 0.00 H new ATOM 0 HB2 SER A 117 -22.486 -2.833 4.327 1.00 0.00 H new ATOM 0 HB3 SER A 117 -22.274 -3.412 5.967 1.00 0.00 H new ATOM 0 HG SER A 117 -24.391 -3.883 5.136 1.00 0.00 H new ATOM 1714 N GLY A 118 -23.815 -0.440 7.643 1.00 0.00 N ATOM 1715 CA GLY A 118 -24.174 -0.223 9.034 1.00 0.00 C ATOM 1716 C GLY A 118 -23.584 1.090 9.554 1.00 0.00 C ATOM 1717 O GLY A 118 -22.391 1.167 9.842 1.00 0.00 O ATOM 0 H GLY A 118 -24.456 -0.024 6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -25.259 -0.203 9.134 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -23.813 -1.054 9.640 1.00 0.00 H new TER 1721 GLY A 118