USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 831 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 Single : A 2 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-0.83) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0913 K(o=-0.091,f=-1.2) USER MOD Single : A 23 SER OG : rot 20:sc= 1.17 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -0.694 K(o=-0.69,f=-4.4!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0026 X(o=-0.0026,f=-0.31) USER MOD Single : A 39 THR OG1 : rot 18:sc= 1.24 USER MOD Single : A 40 CYS SG : rot 50:sc= -6.74! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0906 X(o=-0.091,f=0) USER MOD Single : A 55 GLN : amide:sc= 0.802 K(o=0.8,f=0) USER MOD Single : A 57 TYR OH : rot -61:sc= 0.0872 USER MOD Single : A 61 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.04) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 171:sc= 0 (180deg=-0.105) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -160:sc= 0.21 USER MOD Single : A 92 THR OG1 : rot 132:sc= 1.08 USER MOD Single : A 99 HIS : no HD1:sc=-8.52e-05 K(o=-8.5e-05,f=-1.1) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0.181 K(o=0.18,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 8 N HIS A 2 0.982 -19.775 0.940 1.00 0.00 N ATOM 9 CA HIS A 2 1.381 -18.371 1.113 1.00 0.00 C ATOM 10 C HIS A 2 1.388 -18.010 2.620 1.00 0.00 C ATOM 11 O HIS A 2 1.034 -18.841 3.459 1.00 0.00 O ATOM 12 CB HIS A 2 0.531 -17.507 0.149 1.00 0.00 C ATOM 13 CG HIS A 2 0.959 -17.658 -1.305 1.00 0.00 C ATOM 14 ND1 HIS A 2 1.704 -18.684 -1.858 1.00 0.00 N ATOM 15 CD2 HIS A 2 0.713 -16.772 -2.318 1.00 0.00 C ATOM 16 CE1 HIS A 2 1.915 -18.410 -3.155 1.00 0.00 C ATOM 17 NE2 HIS A 2 1.319 -17.253 -3.486 1.00 0.00 N ATOM 0 HA HIS A 2 2.410 -18.164 0.820 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.518 -17.786 0.246 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.610 -16.460 0.440 1.00 0.00 H new ATOM 0 HD2 HIS A 2 0.147 -15.856 -2.232 1.00 0.00 H new ATOM 0 HE1 HIS A 2 2.482 -19.030 -3.834 1.00 0.00 H new ATOM 0 HE2 HIS A 2 1.309 -16.812 -4.406 1.00 0.00 H new ATOM 25 N VAL A 3 1.823 -16.820 3.035 1.00 0.00 N ATOM 26 CA VAL A 3 2.118 -16.509 4.431 1.00 0.00 C ATOM 27 C VAL A 3 1.049 -15.545 4.916 1.00 0.00 C ATOM 28 O VAL A 3 0.906 -14.454 4.361 1.00 0.00 O ATOM 29 CB VAL A 3 3.526 -15.895 4.612 1.00 0.00 C ATOM 30 CG1 VAL A 3 4.082 -16.290 5.984 1.00 0.00 C ATOM 31 CG2 VAL A 3 4.526 -16.276 3.517 1.00 0.00 C ATOM 0 H VAL A 3 1.982 -16.036 2.402 1.00 0.00 H new ATOM 0 HA VAL A 3 2.113 -17.429 5.015 1.00 0.00 H new ATOM 0 HB VAL A 3 3.400 -14.815 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.074 -15.858 6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.420 -15.918 6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.148 -17.376 6.051 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.487 -15.803 3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.651 -17.359 3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.153 -15.938 2.550 1.00 0.00 H new ATOM 41 N GLN A 4 0.232 -15.969 5.871 1.00 0.00 N ATOM 42 CA GLN A 4 -0.849 -15.132 6.333 1.00 0.00 C ATOM 43 C GLN A 4 -0.275 -13.999 7.160 1.00 0.00 C ATOM 44 O GLN A 4 0.462 -14.261 8.118 1.00 0.00 O ATOM 45 CB GLN A 4 -1.894 -15.942 7.098 1.00 0.00 C ATOM 46 CG GLN A 4 -3.244 -15.274 6.851 1.00 0.00 C ATOM 47 CD GLN A 4 -4.370 -15.972 7.597 1.00 0.00 C ATOM 48 OE1 GLN A 4 -4.734 -17.093 7.260 1.00 0.00 O ATOM 49 NE2 GLN A 4 -4.945 -15.343 8.603 1.00 0.00 N ATOM 0 H GLN A 4 0.301 -16.877 6.331 1.00 0.00 H new ATOM 0 HA GLN A 4 -1.372 -14.705 5.477 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.907 -16.977 6.755 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.663 -15.962 8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.195 -14.231 7.163 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.460 -15.277 5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -4.629 -14.411 8.869 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.706 -15.789 9.115 1.00 0.00 H new ATOM 58 N LEU A 5 -0.619 -12.764 6.800 1.00 0.00 N ATOM 59 CA LEU A 5 -0.262 -11.577 7.554 1.00 0.00 C ATOM 60 C LEU A 5 -1.524 -10.755 7.810 1.00 0.00 C ATOM 61 O LEU A 5 -2.498 -10.858 7.061 1.00 0.00 O ATOM 62 CB LEU A 5 0.806 -10.757 6.806 1.00 0.00 C ATOM 63 CG LEU A 5 2.167 -11.466 6.624 1.00 0.00 C ATOM 64 CD1 LEU A 5 3.068 -10.622 5.720 1.00 0.00 C ATOM 65 CD2 LEU A 5 2.892 -11.718 7.953 1.00 0.00 C ATOM 0 H LEU A 5 -1.163 -12.563 5.961 1.00 0.00 H new ATOM 0 HA LEU A 5 0.171 -11.865 8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.417 -10.493 5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.969 -9.824 7.345 1.00 0.00 H new ATOM 0 HG LEU A 5 1.960 -12.437 6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.028 -11.123 5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.592 -10.496 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.227 -9.644 6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.841 -12.218 7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.078 -10.767 8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.273 -12.348 8.592 1.00 0.00 H new ATOM 77 N SER A 6 -1.505 -9.913 8.838 1.00 0.00 N ATOM 78 CA SER A 6 -2.660 -9.167 9.304 1.00 0.00 C ATOM 79 C SER A 6 -2.226 -7.722 9.466 1.00 0.00 C ATOM 80 O SER A 6 -1.098 -7.472 9.891 1.00 0.00 O ATOM 81 CB SER A 6 -3.162 -9.752 10.632 1.00 0.00 C ATOM 82 OG SER A 6 -2.800 -11.113 10.806 1.00 0.00 O ATOM 0 H SER A 6 -0.662 -9.728 9.382 1.00 0.00 H new ATOM 0 HA SER A 6 -3.484 -9.230 8.593 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.759 -9.165 11.457 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.247 -9.661 10.676 1.00 0.00 H new ATOM 0 HG SER A 6 -3.142 -11.435 11.666 1.00 0.00 H new ATOM 88 N LEU A 7 -3.088 -6.768 9.127 1.00 0.00 N ATOM 89 CA LEU A 7 -2.716 -5.360 9.000 1.00 0.00 C ATOM 90 C LEU A 7 -3.799 -4.479 9.602 1.00 0.00 C ATOM 91 O LEU A 7 -4.953 -4.912 9.638 1.00 0.00 O ATOM 92 CB LEU A 7 -2.551 -5.019 7.512 1.00 0.00 C ATOM 93 CG LEU A 7 -1.362 -5.725 6.840 1.00 0.00 C ATOM 94 CD1 LEU A 7 -1.417 -5.420 5.342 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.026 -5.261 7.425 1.00 0.00 C ATOM 0 H LEU A 7 -4.072 -6.950 8.931 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.780 -5.184 9.530 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.466 -5.287 6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.427 -3.941 7.408 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.433 -6.798 7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.583 -5.910 4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.356 -5.789 4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.352 -4.343 5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.791 -5.782 6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.083 -4.187 7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.001 -5.483 8.492 1.00 0.00 H new ATOM 107 N PRO A 8 -3.476 -3.245 10.018 1.00 0.00 N ATOM 108 CA PRO A 8 -4.479 -2.293 10.450 1.00 0.00 C ATOM 109 C PRO A 8 -5.220 -1.753 9.225 1.00 0.00 C ATOM 110 O PRO A 8 -4.725 -1.832 8.095 1.00 0.00 O ATOM 111 CB PRO A 8 -3.682 -1.213 11.180 1.00 0.00 C ATOM 112 CG PRO A 8 -2.366 -1.153 10.418 1.00 0.00 C ATOM 113 CD PRO A 8 -2.168 -2.598 9.967 1.00 0.00 C ATOM 0 HA PRO A 8 -5.244 -2.715 11.101 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.199 -0.253 11.161 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.526 -1.471 12.228 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.420 -0.469 9.571 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.547 -0.812 11.051 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.759 -2.634 8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.459 -3.111 10.617 1.00 0.00 H new ATOM 121 N VAL A 9 -6.392 -1.175 9.460 1.00 0.00 N ATOM 122 CA VAL A 9 -7.184 -0.452 8.480 1.00 0.00 C ATOM 123 C VAL A 9 -7.313 0.948 9.062 1.00 0.00 C ATOM 124 O VAL A 9 -7.913 1.113 10.127 1.00 0.00 O ATOM 125 CB VAL A 9 -8.550 -1.134 8.239 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.266 -0.516 7.034 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.407 -2.638 7.957 1.00 0.00 C ATOM 0 H VAL A 9 -6.833 -1.200 10.379 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.721 -0.431 7.494 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.123 -0.983 9.154 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.224 -1.013 6.886 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.432 0.546 7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.651 -0.640 6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.393 -3.073 7.794 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.794 -2.785 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.932 -3.124 8.809 1.00 0.00 H new ATOM 137 N LEU A 10 -6.661 1.918 8.424 1.00 0.00 N ATOM 138 CA LEU A 10 -6.675 3.339 8.761 1.00 0.00 C ATOM 139 C LEU A 10 -7.630 4.021 7.773 1.00 0.00 C ATOM 140 O LEU A 10 -7.753 3.552 6.636 1.00 0.00 O ATOM 141 CB LEU A 10 -5.258 3.930 8.591 1.00 0.00 C ATOM 142 CG LEU A 10 -4.090 3.135 9.218 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.738 3.582 8.651 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.097 3.251 10.742 1.00 0.00 C ATOM 0 H LEU A 10 -6.076 1.722 7.612 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.994 3.492 9.792 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.061 4.038 7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.255 4.932 9.019 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.235 2.087 8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.940 3.002 9.114 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.725 3.422 7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.587 4.641 8.862 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.264 2.681 11.154 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.997 4.298 11.028 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.035 2.856 11.133 1.00 0.00 H new ATOM 156 N GLN A 11 -8.293 5.112 8.163 1.00 0.00 N ATOM 157 CA GLN A 11 -9.139 5.843 7.225 1.00 0.00 C ATOM 158 C GLN A 11 -8.287 6.515 6.159 1.00 0.00 C ATOM 159 O GLN A 11 -7.172 6.965 6.418 1.00 0.00 O ATOM 160 CB GLN A 11 -9.963 6.928 7.919 1.00 0.00 C ATOM 161 CG GLN A 11 -11.106 6.362 8.741 1.00 0.00 C ATOM 162 CD GLN A 11 -12.262 7.333 8.835 1.00 0.00 C ATOM 163 OE1 GLN A 11 -12.166 8.429 9.364 1.00 0.00 O ATOM 164 NE2 GLN A 11 -13.403 6.970 8.288 1.00 0.00 N ATOM 0 H GLN A 11 -8.261 5.501 9.105 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.814 5.112 6.780 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.311 7.514 8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.364 7.609 7.169 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.449 5.430 8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.750 6.122 9.743 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.488 6.055 7.845 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.202 7.604 8.307 1.00 0.00 H new ATOM 173 N VAL A 12 -8.870 6.730 4.981 1.00 0.00 N ATOM 174 CA VAL A 12 -8.216 7.406 3.873 1.00 0.00 C ATOM 175 C VAL A 12 -7.768 8.816 4.272 1.00 0.00 C ATOM 176 O VAL A 12 -6.750 9.305 3.788 1.00 0.00 O ATOM 177 CB VAL A 12 -9.152 7.378 2.644 1.00 0.00 C ATOM 178 CG1 VAL A 12 -10.510 8.072 2.864 1.00 0.00 C ATOM 179 CG2 VAL A 12 -8.440 7.979 1.431 1.00 0.00 C ATOM 0 H VAL A 12 -9.823 6.434 4.771 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.300 6.882 3.600 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.384 6.328 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.104 8.006 1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.041 7.582 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.347 9.120 3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.107 7.955 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.162 9.011 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.543 7.400 1.212 1.00 0.00 H new ATOM 189 N ARG A 13 -8.521 9.457 5.174 1.00 0.00 N ATOM 190 CA ARG A 13 -8.214 10.805 5.631 1.00 0.00 C ATOM 191 C ARG A 13 -6.941 10.865 6.484 1.00 0.00 C ATOM 192 O ARG A 13 -6.222 11.862 6.470 1.00 0.00 O ATOM 193 CB ARG A 13 -9.395 11.381 6.435 1.00 0.00 C ATOM 194 CG ARG A 13 -9.927 10.421 7.517 1.00 0.00 C ATOM 195 CD ARG A 13 -10.498 11.147 8.725 1.00 0.00 C ATOM 196 NE ARG A 13 -11.713 11.882 8.367 1.00 0.00 N ATOM 197 CZ ARG A 13 -12.225 12.906 9.040 1.00 0.00 C ATOM 198 NH1 ARG A 13 -11.624 13.407 10.113 1.00 0.00 N ATOM 199 NH2 ARG A 13 -13.356 13.426 8.593 1.00 0.00 N ATOM 0 H ARG A 13 -9.354 9.053 5.602 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.042 11.405 4.737 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.083 12.312 6.908 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.205 11.628 5.749 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.699 9.785 7.083 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.119 9.765 7.842 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.722 10.429 9.514 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.755 11.837 9.124 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.209 11.581 7.528 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.746 13.005 10.440 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.041 14.194 10.610 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.801 13.039 7.761 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.783 14.214 9.081 1.00 0.00 H new ATOM 213 N ASP A 14 -6.699 9.810 7.257 1.00 0.00 N ATOM 214 CA ASP A 14 -5.805 9.814 8.416 1.00 0.00 C ATOM 215 C ASP A 14 -4.370 9.539 7.994 1.00 0.00 C ATOM 216 O ASP A 14 -3.415 9.962 8.632 1.00 0.00 O ATOM 217 CB ASP A 14 -6.265 8.694 9.365 1.00 0.00 C ATOM 218 CG ASP A 14 -7.161 9.245 10.487 1.00 0.00 C ATOM 219 OD1 ASP A 14 -6.824 10.296 11.063 1.00 0.00 O ATOM 220 OD2 ASP A 14 -8.247 8.651 10.726 1.00 0.00 O ATOM 0 H ASP A 14 -7.131 8.901 7.091 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.841 10.790 8.900 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.810 7.937 8.801 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.395 8.203 9.800 1.00 0.00 H new ATOM 225 N VAL A 15 -4.269 8.795 6.900 1.00 0.00 N ATOM 226 CA VAL A 15 -3.142 8.269 6.166 1.00 0.00 C ATOM 227 C VAL A 15 -2.202 9.361 5.674 1.00 0.00 C ATOM 228 O VAL A 15 -2.184 9.691 4.495 1.00 0.00 O ATOM 229 CB VAL A 15 -3.740 7.302 5.136 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.759 6.800 4.104 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.263 6.049 5.859 1.00 0.00 C ATOM 0 H VAL A 15 -5.130 8.503 6.438 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.444 7.700 6.780 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.516 7.875 4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.268 6.123 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.353 7.644 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.947 6.270 4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.689 5.359 5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.441 5.561 6.383 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.031 6.337 6.577 1.00 0.00 H new ATOM 241 N LEU A 16 -1.579 10.090 6.587 1.00 0.00 N ATOM 242 CA LEU A 16 -0.710 11.239 6.366 1.00 0.00 C ATOM 243 C LEU A 16 0.403 11.021 5.332 1.00 0.00 C ATOM 244 O LEU A 16 1.012 11.993 4.888 1.00 0.00 O ATOM 245 CB LEU A 16 -0.105 11.613 7.730 1.00 0.00 C ATOM 246 CG LEU A 16 -1.025 12.563 8.516 1.00 0.00 C ATOM 247 CD1 LEU A 16 -0.564 12.633 9.972 1.00 0.00 C ATOM 248 CD2 LEU A 16 -1.014 13.971 7.907 1.00 0.00 C ATOM 0 H LEU A 16 -1.675 9.878 7.580 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.318 12.038 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.068 10.708 8.313 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.866 12.086 7.581 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.042 12.175 8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.216 13.306 10.528 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.606 11.638 10.415 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.460 13.005 10.012 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.673 14.621 8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.000 14.370 7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.362 13.924 6.875 1.00 0.00 H new ATOM 260 N VAL A 17 0.680 9.795 4.905 1.00 0.00 N ATOM 261 CA VAL A 17 1.469 9.485 3.719 1.00 0.00 C ATOM 262 C VAL A 17 0.666 8.491 2.877 1.00 0.00 C ATOM 263 O VAL A 17 0.622 7.292 3.147 1.00 0.00 O ATOM 264 CB VAL A 17 2.872 8.995 4.119 1.00 0.00 C ATOM 265 CG1 VAL A 17 3.694 8.586 2.893 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.627 10.119 4.845 1.00 0.00 C ATOM 0 H VAL A 17 0.350 8.961 5.391 1.00 0.00 H new ATOM 0 HA VAL A 17 1.650 10.369 3.107 1.00 0.00 H new ATOM 0 HB VAL A 17 2.743 8.129 4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.679 8.245 3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.184 7.780 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.805 9.442 2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.620 9.768 5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.721 10.980 4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.077 10.407 5.741 1.00 0.00 H new ATOM 276 N ARG A 18 -0.017 8.985 1.843 1.00 0.00 N ATOM 277 CA ARG A 18 -0.925 8.184 1.020 1.00 0.00 C ATOM 278 C ARG A 18 -0.199 7.521 -0.161 1.00 0.00 C ATOM 279 O ARG A 18 -0.858 7.119 -1.127 1.00 0.00 O ATOM 280 CB ARG A 18 -2.085 9.046 0.502 1.00 0.00 C ATOM 281 CG ARG A 18 -2.658 10.180 1.353 1.00 0.00 C ATOM 282 CD ARG A 18 -4.070 9.903 1.855 1.00 0.00 C ATOM 283 NE ARG A 18 -4.756 11.170 2.121 1.00 0.00 N ATOM 284 CZ ARG A 18 -4.842 11.874 3.247 1.00 0.00 C ATOM 285 NH1 ARG A 18 -4.377 11.396 4.389 1.00 0.00 N ATOM 286 NH2 ARG A 18 -5.389 13.078 3.218 1.00 0.00 N ATOM 0 H ARG A 18 0.045 9.960 1.551 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.319 7.392 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.761 9.486 -0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.909 8.370 0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.003 10.350 2.207 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.662 11.099 0.766 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.624 9.327 1.113 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.032 9.301 2.763 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.242 11.574 1.321 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.944 10.473 4.417 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.452 11.950 5.242 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.740 13.458 2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.460 13.627 4.075 1.00 0.00 H new ATOM 300 N GLY A 19 1.130 7.468 -0.139 1.00 0.00 N ATOM 301 CA GLY A 19 1.958 6.927 -1.186 1.00 0.00 C ATOM 302 C GLY A 19 3.287 6.668 -0.517 1.00 0.00 C ATOM 303 O GLY A 19 3.915 7.649 -0.126 1.00 0.00 O ATOM 0 H GLY A 19 1.673 7.820 0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.533 6.010 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.060 7.628 -2.014 1.00 0.00 H new ATOM 307 N PHE A 20 3.683 5.401 -0.349 1.00 0.00 N ATOM 308 CA PHE A 20 4.967 5.030 0.257 1.00 0.00 C ATOM 309 C PHE A 20 6.122 5.902 -0.241 1.00 0.00 C ATOM 310 O PHE A 20 6.896 6.411 0.566 1.00 0.00 O ATOM 311 CB PHE A 20 5.271 3.562 0.013 1.00 0.00 C ATOM 312 CG PHE A 20 4.494 2.520 0.797 1.00 0.00 C ATOM 313 CD1 PHE A 20 4.818 2.234 2.137 1.00 0.00 C ATOM 314 CD2 PHE A 20 3.506 1.741 0.161 1.00 0.00 C ATOM 315 CE1 PHE A 20 4.125 1.237 2.853 1.00 0.00 C ATOM 316 CE2 PHE A 20 2.823 0.723 0.858 1.00 0.00 C ATOM 317 CZ PHE A 20 3.134 0.479 2.208 1.00 0.00 C ATOM 0 H PHE A 20 3.118 4.600 -0.631 1.00 0.00 H new ATOM 0 HA PHE A 20 4.872 5.202 1.329 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.115 3.363 -1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.331 3.405 0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.609 2.786 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.269 1.927 -0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.355 1.057 3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.067 0.135 0.359 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.609 -0.294 2.750 1.00 0.00 H new ATOM 327 N GLY A 21 6.183 6.129 -1.549 1.00 0.00 N ATOM 328 CA GLY A 21 7.107 7.027 -2.213 1.00 0.00 C ATOM 329 C GLY A 21 6.489 7.467 -3.518 1.00 0.00 C ATOM 330 O GLY A 21 5.439 6.955 -3.912 1.00 0.00 O ATOM 0 H GLY A 21 5.554 5.665 -2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.316 7.891 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.058 6.527 -2.394 1.00 0.00 H new ATOM 334 N ASP A 22 7.119 8.432 -4.181 1.00 0.00 N ATOM 335 CA ASP A 22 6.434 9.274 -5.163 1.00 0.00 C ATOM 336 C ASP A 22 6.533 8.692 -6.587 1.00 0.00 C ATOM 337 O ASP A 22 6.527 9.403 -7.594 1.00 0.00 O ATOM 338 CB ASP A 22 6.977 10.710 -5.040 1.00 0.00 C ATOM 339 CG ASP A 22 5.956 11.762 -5.480 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.684 11.922 -6.685 1.00 0.00 O ATOM 341 OD2 ASP A 22 5.385 12.458 -4.600 1.00 0.00 O ATOM 0 H ASP A 22 8.107 8.653 -4.057 1.00 0.00 H new ATOM 0 HA ASP A 22 5.365 9.299 -4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.266 10.899 -4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.878 10.807 -5.645 1.00 0.00 H new ATOM 346 N SER A 23 6.668 7.373 -6.716 1.00 0.00 N ATOM 347 CA SER A 23 6.398 6.665 -7.960 1.00 0.00 C ATOM 348 C SER A 23 5.945 5.232 -7.661 1.00 0.00 C ATOM 349 O SER A 23 6.154 4.711 -6.568 1.00 0.00 O ATOM 350 CB SER A 23 7.666 6.670 -8.819 1.00 0.00 C ATOM 351 OG SER A 23 7.811 7.912 -9.467 1.00 0.00 O ATOM 0 H SER A 23 6.970 6.765 -5.955 1.00 0.00 H new ATOM 0 HA SER A 23 5.596 7.163 -8.505 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.538 6.474 -8.195 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.616 5.870 -9.558 1.00 0.00 H new ATOM 0 HG SER A 23 7.273 8.587 -9.004 1.00 0.00 H new ATOM 357 N VAL A 24 5.365 4.573 -8.660 1.00 0.00 N ATOM 358 CA VAL A 24 4.900 3.197 -8.630 1.00 0.00 C ATOM 359 C VAL A 24 6.000 2.292 -8.108 1.00 0.00 C ATOM 360 O VAL A 24 5.808 1.549 -7.159 1.00 0.00 O ATOM 361 CB VAL A 24 4.452 2.765 -10.039 1.00 0.00 C ATOM 362 CG1 VAL A 24 2.949 2.941 -10.179 1.00 0.00 C ATOM 363 CG2 VAL A 24 5.121 3.535 -11.190 1.00 0.00 C ATOM 0 H VAL A 24 5.199 5.015 -9.564 1.00 0.00 H new ATOM 0 HA VAL A 24 4.044 3.117 -7.959 1.00 0.00 H new ATOM 0 HB VAL A 24 4.758 1.722 -10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.638 2.634 -11.178 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.440 2.327 -9.436 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.689 3.988 -10.024 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.745 3.164 -12.143 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.892 4.597 -11.099 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.201 3.391 -11.145 1.00 0.00 H new ATOM 373 N GLU A 25 7.159 2.341 -8.745 1.00 0.00 N ATOM 374 CA GLU A 25 8.269 1.425 -8.510 1.00 0.00 C ATOM 375 C GLU A 25 8.921 1.669 -7.146 1.00 0.00 C ATOM 376 O GLU A 25 9.443 0.729 -6.534 1.00 0.00 O ATOM 377 CB GLU A 25 9.260 1.665 -9.656 1.00 0.00 C ATOM 378 CG GLU A 25 8.901 0.801 -10.868 1.00 0.00 C ATOM 379 CD GLU A 25 9.877 -0.355 -11.055 1.00 0.00 C ATOM 380 OE1 GLU A 25 10.195 -1.046 -10.052 1.00 0.00 O ATOM 381 OE2 GLU A 25 10.315 -0.619 -12.190 1.00 0.00 O ATOM 0 H GLU A 25 7.361 3.039 -9.461 1.00 0.00 H new ATOM 0 HA GLU A 25 7.928 0.390 -8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.251 2.718 -9.938 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.272 1.433 -9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.892 0.407 -10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.896 1.420 -11.765 1.00 0.00 H new ATOM 388 N GLU A 26 8.829 2.905 -6.638 1.00 0.00 N ATOM 389 CA GLU A 26 9.153 3.233 -5.250 1.00 0.00 C ATOM 390 C GLU A 26 8.181 2.478 -4.357 1.00 0.00 C ATOM 391 O GLU A 26 8.533 1.536 -3.647 1.00 0.00 O ATOM 392 CB GLU A 26 9.065 4.745 -4.970 1.00 0.00 C ATOM 393 CG GLU A 26 10.016 5.548 -5.849 1.00 0.00 C ATOM 394 CD GLU A 26 11.479 5.203 -5.610 1.00 0.00 C ATOM 395 OE1 GLU A 26 12.040 5.684 -4.606 1.00 0.00 O ATOM 396 OE2 GLU A 26 12.065 4.468 -6.442 1.00 0.00 O ATOM 0 H GLU A 26 8.525 3.710 -7.186 1.00 0.00 H new ATOM 0 HA GLU A 26 10.183 2.940 -5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.043 5.085 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.296 4.933 -3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.772 5.369 -6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.864 6.611 -5.663 1.00 0.00 H new ATOM 403 N ALA A 27 6.914 2.862 -4.465 1.00 0.00 N ATOM 404 CA ALA A 27 5.873 2.500 -3.542 1.00 0.00 C ATOM 405 C ALA A 27 5.648 0.994 -3.492 1.00 0.00 C ATOM 406 O ALA A 27 5.406 0.453 -2.416 1.00 0.00 O ATOM 407 CB ALA A 27 4.611 3.297 -3.900 1.00 0.00 C ATOM 0 H ALA A 27 6.584 3.454 -5.227 1.00 0.00 H new ATOM 0 HA ALA A 27 6.169 2.762 -2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.808 3.036 -3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.821 4.364 -3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.306 3.057 -4.919 1.00 0.00 H new ATOM 413 N LEU A 28 5.747 0.298 -4.628 1.00 0.00 N ATOM 414 CA LEU A 28 5.721 -1.159 -4.692 1.00 0.00 C ATOM 415 C LEU A 28 6.809 -1.788 -3.818 1.00 0.00 C ATOM 416 O LEU A 28 6.516 -2.699 -3.041 1.00 0.00 O ATOM 417 CB LEU A 28 5.912 -1.612 -6.155 1.00 0.00 C ATOM 418 CG LEU A 28 5.029 -2.813 -6.508 1.00 0.00 C ATOM 419 CD1 LEU A 28 5.194 -3.178 -7.981 1.00 0.00 C ATOM 420 CD2 LEU A 28 5.351 -4.082 -5.728 1.00 0.00 C ATOM 0 H LEU A 28 5.849 0.741 -5.541 1.00 0.00 H new ATOM 0 HA LEU A 28 4.755 -1.493 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.680 -0.783 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.958 -1.871 -6.320 1.00 0.00 H new ATOM 0 HG LEU A 28 4.019 -2.489 -6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.561 -4.033 -8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.904 -2.330 -8.601 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.235 -3.432 -8.178 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.679 -4.881 -6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.382 -4.377 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.223 -3.896 -4.662 1.00 0.00 H new ATOM 432 N SER A 29 8.045 -1.300 -3.921 1.00 0.00 N ATOM 433 CA SER A 29 9.171 -1.820 -3.176 1.00 0.00 C ATOM 434 C SER A 29 8.927 -1.587 -1.699 1.00 0.00 C ATOM 435 O SER A 29 8.991 -2.523 -0.900 1.00 0.00 O ATOM 436 CB SER A 29 10.473 -1.156 -3.641 1.00 0.00 C ATOM 437 OG SER A 29 11.554 -2.037 -3.366 1.00 0.00 O ATOM 0 H SER A 29 8.286 -0.522 -4.535 1.00 0.00 H new ATOM 0 HA SER A 29 9.273 -2.891 -3.353 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.426 -0.936 -4.708 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.618 -0.206 -3.126 1.00 0.00 H new ATOM 0 HG SER A 29 12.394 -1.626 -3.660 1.00 0.00 H new ATOM 443 N GLU A 30 8.693 -0.331 -1.337 1.00 0.00 N ATOM 444 CA GLU A 30 8.545 0.056 0.045 1.00 0.00 C ATOM 445 C GLU A 30 7.360 -0.666 0.672 1.00 0.00 C ATOM 446 O GLU A 30 7.436 -0.997 1.846 1.00 0.00 O ATOM 447 CB GLU A 30 8.287 1.557 0.139 1.00 0.00 C ATOM 448 CG GLU A 30 9.334 2.476 -0.480 1.00 0.00 C ATOM 449 CD GLU A 30 9.425 3.875 0.157 1.00 0.00 C ATOM 450 OE1 GLU A 30 9.269 4.060 1.394 1.00 0.00 O ATOM 451 OE2 GLU A 30 9.743 4.814 -0.605 1.00 0.00 O ATOM 0 H GLU A 30 8.602 0.440 -1.998 1.00 0.00 H new ATOM 0 HA GLU A 30 9.463 -0.206 0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.328 1.767 -0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.186 1.819 1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.309 1.994 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.115 2.589 -1.542 1.00 0.00 H new ATOM 458 N ALA A 31 6.301 -0.970 -0.081 1.00 0.00 N ATOM 459 CA ALA A 31 5.227 -1.839 0.362 1.00 0.00 C ATOM 460 C ALA A 31 5.785 -3.186 0.803 1.00 0.00 C ATOM 461 O ALA A 31 5.578 -3.538 1.964 1.00 0.00 O ATOM 462 CB ALA A 31 4.167 -1.926 -0.715 1.00 0.00 C ATOM 0 H ALA A 31 6.171 -0.611 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 31 4.735 -1.424 1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.361 -2.579 -0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.769 -0.931 -0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.607 -2.330 -1.627 1.00 0.00 H new ATOM 468 N ARG A 32 6.537 -3.914 -0.036 1.00 0.00 N ATOM 469 CA ARG A 32 7.107 -5.206 0.379 1.00 0.00 C ATOM 470 C ARG A 32 7.995 -5.067 1.611 1.00 0.00 C ATOM 471 O ARG A 32 8.141 -6.042 2.356 1.00 0.00 O ATOM 472 CB ARG A 32 7.918 -5.889 -0.737 1.00 0.00 C ATOM 473 CG ARG A 32 7.098 -6.326 -1.958 1.00 0.00 C ATOM 474 CD ARG A 32 7.463 -5.524 -3.213 1.00 0.00 C ATOM 475 NE ARG A 32 8.329 -6.261 -4.150 1.00 0.00 N ATOM 476 CZ ARG A 32 7.940 -6.893 -5.267 1.00 0.00 C ATOM 477 NH1 ARG A 32 6.646 -7.005 -5.557 1.00 0.00 N ATOM 478 NH2 ARG A 32 8.851 -7.383 -6.095 1.00 0.00 N ATOM 0 H ARG A 32 6.763 -3.637 -0.991 1.00 0.00 H new ATOM 0 HA ARG A 32 6.247 -5.832 0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.699 -5.205 -1.068 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.416 -6.764 -0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.264 -7.387 -2.145 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.036 -6.202 -1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.547 -5.234 -3.728 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.965 -4.604 -2.913 1.00 0.00 H new ATOM 0 HE ARG A 32 9.324 -6.294 -3.927 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.946 -6.609 -4.929 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.354 -7.486 -6.407 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.843 -7.279 -5.881 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.560 -7.865 -6.946 1.00 0.00 H new ATOM 492 N GLU A 33 8.566 -3.887 1.831 1.00 0.00 N ATOM 493 CA GLU A 33 9.524 -3.641 2.891 1.00 0.00 C ATOM 494 C GLU A 33 8.778 -3.296 4.196 1.00 0.00 C ATOM 495 O GLU A 33 9.030 -3.903 5.238 1.00 0.00 O ATOM 496 CB GLU A 33 10.537 -2.571 2.394 1.00 0.00 C ATOM 497 CG GLU A 33 10.625 -1.217 3.101 1.00 0.00 C ATOM 498 CD GLU A 33 11.539 -0.205 2.380 1.00 0.00 C ATOM 499 OE1 GLU A 33 11.987 -0.445 1.231 1.00 0.00 O ATOM 500 OE2 GLU A 33 11.735 0.882 2.978 1.00 0.00 O ATOM 0 H GLU A 33 8.369 -3.062 1.264 1.00 0.00 H new ATOM 0 HA GLU A 33 10.112 -4.526 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.529 -3.021 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.314 -2.376 1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.624 -0.794 3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.994 -1.369 4.115 1.00 0.00 H new ATOM 507 N HIS A 34 7.779 -2.406 4.146 1.00 0.00 N ATOM 508 CA HIS A 34 7.022 -1.914 5.292 1.00 0.00 C ATOM 509 C HIS A 34 6.083 -3.005 5.776 1.00 0.00 C ATOM 510 O HIS A 34 5.772 -3.081 6.967 1.00 0.00 O ATOM 511 CB HIS A 34 6.207 -0.665 4.921 1.00 0.00 C ATOM 512 CG HIS A 34 7.036 0.593 4.847 1.00 0.00 C ATOM 513 ND1 HIS A 34 7.994 0.857 3.903 1.00 0.00 N ATOM 514 CD2 HIS A 34 7.031 1.647 5.723 1.00 0.00 C ATOM 515 CE1 HIS A 34 8.615 1.997 4.227 1.00 0.00 C ATOM 516 NE2 HIS A 34 8.050 2.525 5.329 1.00 0.00 N ATOM 0 H HIS A 34 7.467 -1.995 3.266 1.00 0.00 H new ATOM 0 HA HIS A 34 7.724 -1.643 6.081 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.723 -0.829 3.958 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.415 -0.526 5.656 1.00 0.00 H new ATOM 0 HD1 HIS A 34 8.200 0.280 3.088 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.364 1.777 6.563 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.444 2.428 3.686 1.00 0.00 H new ATOM 524 N LEU A 35 5.656 -3.876 4.857 1.00 0.00 N ATOM 525 CA LEU A 35 4.932 -5.085 5.177 1.00 0.00 C ATOM 526 C LEU A 35 5.747 -5.878 6.194 1.00 0.00 C ATOM 527 O LEU A 35 5.264 -6.111 7.298 1.00 0.00 O ATOM 528 CB LEU A 35 4.688 -5.933 3.917 1.00 0.00 C ATOM 529 CG LEU A 35 3.507 -5.429 3.075 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.561 -5.980 1.646 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.169 -5.768 3.718 1.00 0.00 C ATOM 0 H LEU A 35 5.812 -3.748 3.857 1.00 0.00 H new ATOM 0 HA LEU A 35 3.958 -4.825 5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.590 -5.933 3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.503 -6.966 4.211 1.00 0.00 H new ATOM 0 HG LEU A 35 3.596 -4.344 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.710 -5.603 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.487 -5.660 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.524 -7.069 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.359 -5.394 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.079 -6.849 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.110 -5.303 4.702 1.00 0.00 H new ATOM 543 N LYS A 36 6.990 -6.228 5.843 1.00 0.00 N ATOM 544 CA LYS A 36 7.923 -6.977 6.674 1.00 0.00 C ATOM 545 C LYS A 36 8.134 -6.238 7.988 1.00 0.00 C ATOM 546 O LYS A 36 8.067 -6.848 9.054 1.00 0.00 O ATOM 547 CB LYS A 36 9.229 -7.189 5.879 1.00 0.00 C ATOM 548 CG LYS A 36 10.124 -8.310 6.427 1.00 0.00 C ATOM 549 CD LYS A 36 10.941 -7.975 7.683 1.00 0.00 C ATOM 550 CE LYS A 36 12.054 -6.941 7.458 1.00 0.00 C ATOM 551 NZ LYS A 36 13.382 -7.559 7.243 1.00 0.00 N ATOM 0 H LYS A 36 7.383 -5.984 4.934 1.00 0.00 H new ATOM 0 HA LYS A 36 7.530 -7.961 6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.978 -7.414 4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.794 -6.257 5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.495 -9.173 6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.815 -8.612 5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.265 -7.602 8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.386 -8.893 8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.802 -6.326 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.104 -6.276 8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.092 -6.814 7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.640 -8.125 8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.347 -8.173 6.404 1.00 0.00 H new ATOM 565 N ASN A 37 8.404 -4.938 7.914 1.00 0.00 N ATOM 566 CA ASN A 37 8.712 -4.112 9.075 1.00 0.00 C ATOM 567 C ASN A 37 7.499 -3.946 10.012 1.00 0.00 C ATOM 568 O ASN A 37 7.654 -3.491 11.144 1.00 0.00 O ATOM 569 CB ASN A 37 9.226 -2.743 8.603 1.00 0.00 C ATOM 570 CG ASN A 37 10.478 -2.799 7.728 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.297 -3.713 7.822 1.00 0.00 O ATOM 572 ND2 ASN A 37 10.639 -1.845 6.833 1.00 0.00 N ATOM 0 H ASN A 37 8.415 -4.423 7.034 1.00 0.00 H new ATOM 0 HA ASN A 37 9.486 -4.616 9.654 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.432 -2.244 8.047 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.438 -2.128 9.478 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.447 -1.860 6.211 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.955 -1.091 6.762 1.00 0.00 H new ATOM 579 N GLY A 38 6.288 -4.334 9.596 1.00 0.00 N ATOM 580 CA GLY A 38 5.077 -4.282 10.421 1.00 0.00 C ATOM 581 C GLY A 38 4.398 -2.908 10.384 1.00 0.00 C ATOM 582 O GLY A 38 3.421 -2.685 11.100 1.00 0.00 O ATOM 0 H GLY A 38 6.120 -4.700 8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.374 -5.040 10.076 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.333 -4.529 11.451 1.00 0.00 H new ATOM 586 N THR A 39 4.909 -1.975 9.576 1.00 0.00 N ATOM 587 CA THR A 39 4.551 -0.557 9.599 1.00 0.00 C ATOM 588 C THR A 39 3.890 -0.248 8.262 1.00 0.00 C ATOM 589 O THR A 39 4.250 0.691 7.553 1.00 0.00 O ATOM 590 CB THR A 39 5.773 0.307 9.990 1.00 0.00 C ATOM 591 OG1 THR A 39 5.627 1.705 9.813 1.00 0.00 O ATOM 592 CG2 THR A 39 7.033 -0.115 9.238 1.00 0.00 C ATOM 0 H THR A 39 5.606 -2.195 8.865 1.00 0.00 H new ATOM 0 HA THR A 39 3.826 -0.306 10.373 1.00 0.00 H new ATOM 0 HB THR A 39 5.856 0.120 11.061 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.676 1.928 9.737 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.867 0.517 9.542 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.263 -1.155 9.469 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.869 -0.009 8.166 1.00 0.00 H new ATOM 600 N CYS A 40 2.906 -1.057 7.880 1.00 0.00 N ATOM 601 CA CYS A 40 2.101 -0.782 6.718 1.00 0.00 C ATOM 602 C CYS A 40 0.642 -0.880 7.171 1.00 0.00 C ATOM 603 O CYS A 40 0.363 -1.558 8.164 1.00 0.00 O ATOM 604 CB CYS A 40 2.526 -1.761 5.621 1.00 0.00 C ATOM 605 SG CYS A 40 1.485 -3.206 5.493 1.00 0.00 S ATOM 0 H CYS A 40 2.654 -1.914 8.371 1.00 0.00 H new ATOM 0 HA CYS A 40 2.230 0.212 6.289 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.526 -1.240 4.664 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.551 -2.080 5.810 1.00 0.00 H new ATOM 0 HG CYS A 40 0.239 -2.840 5.443 1.00 0.00 H new ATOM 611 N GLY A 41 -0.288 -0.264 6.446 1.00 0.00 N ATOM 612 CA GLY A 41 -1.710 -0.394 6.697 1.00 0.00 C ATOM 613 C GLY A 41 -2.482 -0.568 5.389 1.00 0.00 C ATOM 614 O GLY A 41 -1.929 -0.368 4.303 1.00 0.00 O ATOM 0 H GLY A 41 -0.066 0.346 5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.892 -1.250 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.073 0.489 7.223 1.00 0.00 H new ATOM 618 N LEU A 42 -3.736 -1.017 5.490 1.00 0.00 N ATOM 619 CA LEU A 42 -4.648 -1.275 4.376 1.00 0.00 C ATOM 620 C LEU A 42 -5.626 -0.111 4.267 1.00 0.00 C ATOM 621 O LEU A 42 -6.265 0.251 5.251 1.00 0.00 O ATOM 622 CB LEU A 42 -5.412 -2.592 4.644 1.00 0.00 C ATOM 623 CG LEU A 42 -6.416 -2.970 3.530 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.688 -3.441 2.263 1.00 0.00 C ATOM 625 CD2 LEU A 42 -7.353 -4.095 4.002 1.00 0.00 C ATOM 0 H LEU A 42 -4.162 -1.220 6.395 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.094 -1.370 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.692 -3.402 4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.948 -2.504 5.589 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.996 -2.075 3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.420 -3.700 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.045 -2.642 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.082 -4.316 2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.051 -4.346 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.764 -4.975 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.909 -3.762 4.879 1.00 0.00 H new ATOM 637 N VAL A 43 -5.748 0.485 3.089 1.00 0.00 N ATOM 638 CA VAL A 43 -6.732 1.503 2.758 1.00 0.00 C ATOM 639 C VAL A 43 -7.805 0.856 1.900 1.00 0.00 C ATOM 640 O VAL A 43 -7.508 0.101 0.972 1.00 0.00 O ATOM 641 CB VAL A 43 -6.035 2.694 2.078 1.00 0.00 C ATOM 642 CG1 VAL A 43 -7.012 3.668 1.401 1.00 0.00 C ATOM 643 CG2 VAL A 43 -5.257 3.486 3.134 1.00 0.00 C ATOM 0 H VAL A 43 -5.136 0.261 2.304 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.215 1.905 3.648 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.387 2.274 1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.453 4.483 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.579 3.140 0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.697 4.072 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.760 4.332 2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.946 3.850 3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.511 2.840 3.597 1.00 0.00 H new ATOM 653 N GLU A 44 -9.050 1.120 2.251 1.00 0.00 N ATOM 654 CA GLU A 44 -10.230 0.521 1.668 1.00 0.00 C ATOM 655 C GLU A 44 -10.539 1.241 0.362 1.00 0.00 C ATOM 656 O GLU A 44 -10.476 2.471 0.296 1.00 0.00 O ATOM 657 CB GLU A 44 -11.377 0.699 2.668 1.00 0.00 C ATOM 658 CG GLU A 44 -11.069 -0.013 3.995 1.00 0.00 C ATOM 659 CD GLU A 44 -11.948 0.526 5.116 1.00 0.00 C ATOM 660 OE1 GLU A 44 -11.715 1.673 5.548 1.00 0.00 O ATOM 661 OE2 GLU A 44 -12.861 -0.226 5.559 1.00 0.00 O ATOM 0 H GLU A 44 -9.273 1.791 2.986 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.087 -0.539 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.543 1.761 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.299 0.301 2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.231 -1.085 3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.019 0.126 4.252 1.00 0.00 H new ATOM 668 N LEU A 45 -10.902 0.487 -0.675 1.00 0.00 N ATOM 669 CA LEU A 45 -11.346 1.094 -1.917 1.00 0.00 C ATOM 670 C LEU A 45 -12.800 1.515 -1.767 1.00 0.00 C ATOM 671 O LEU A 45 -13.667 0.669 -1.532 1.00 0.00 O ATOM 672 CB LEU A 45 -11.107 0.155 -3.108 1.00 0.00 C ATOM 673 CG LEU A 45 -9.618 0.208 -3.514 1.00 0.00 C ATOM 674 CD1 LEU A 45 -9.248 -1.025 -4.335 1.00 0.00 C ATOM 675 CD2 LEU A 45 -9.281 1.471 -4.318 1.00 0.00 C ATOM 0 H LEU A 45 -10.896 -0.533 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.759 1.988 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.387 -0.865 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.735 0.449 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.038 0.230 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.196 -0.974 -4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.423 -1.923 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.861 -1.060 -5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.223 1.464 -4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.881 1.494 -5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.499 2.354 -3.717 1.00 0.00 H new ATOM 687 N GLU A 46 -13.074 2.802 -1.953 1.00 0.00 N ATOM 688 CA GLU A 46 -14.401 3.382 -2.120 1.00 0.00 C ATOM 689 C GLU A 46 -14.335 4.378 -3.279 1.00 0.00 C ATOM 690 O GLU A 46 -13.244 4.679 -3.772 1.00 0.00 O ATOM 691 CB GLU A 46 -14.873 4.109 -0.853 1.00 0.00 C ATOM 692 CG GLU A 46 -14.725 3.330 0.451 1.00 0.00 C ATOM 693 CD GLU A 46 -15.553 4.024 1.529 1.00 0.00 C ATOM 694 OE1 GLU A 46 -15.183 5.114 1.999 1.00 0.00 O ATOM 695 OE2 GLU A 46 -16.646 3.482 1.859 1.00 0.00 O ATOM 0 H GLU A 46 -12.337 3.506 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 46 -15.113 2.581 -2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -14.316 5.042 -0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.923 4.375 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.062 2.302 0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.677 3.286 0.748 1.00 0.00 H new ATOM 702 N LYS A 47 -15.476 4.934 -3.696 1.00 0.00 N ATOM 703 CA LYS A 47 -15.541 5.811 -4.864 1.00 0.00 C ATOM 704 C LYS A 47 -14.553 6.967 -4.761 1.00 0.00 C ATOM 705 O LYS A 47 -13.655 7.100 -5.595 1.00 0.00 O ATOM 706 CB LYS A 47 -16.980 6.303 -5.097 1.00 0.00 C ATOM 707 CG LYS A 47 -17.089 6.881 -6.517 1.00 0.00 C ATOM 708 CD LYS A 47 -18.512 6.795 -7.057 1.00 0.00 C ATOM 709 CE LYS A 47 -18.463 6.952 -8.576 1.00 0.00 C ATOM 710 NZ LYS A 47 -19.733 6.548 -9.200 1.00 0.00 N ATOM 0 H LYS A 47 -16.374 4.789 -3.235 1.00 0.00 H new ATOM 0 HA LYS A 47 -15.245 5.228 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.684 5.480 -4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.242 7.063 -4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.765 7.922 -6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.415 6.341 -7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.962 5.839 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.133 7.574 -6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.246 7.990 -8.829 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.650 6.349 -8.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.666 6.667 -10.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.927 5.551 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -20.504 7.141 -8.832 1.00 0.00 H new ATOM 724 N GLY A 48 -14.693 7.794 -3.728 1.00 0.00 N ATOM 725 CA GLY A 48 -13.885 8.984 -3.522 1.00 0.00 C ATOM 726 C GLY A 48 -12.606 8.692 -2.758 1.00 0.00 C ATOM 727 O GLY A 48 -12.276 9.470 -1.871 1.00 0.00 O ATOM 0 H GLY A 48 -15.389 7.648 -2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.635 9.422 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.469 9.726 -2.977 1.00 0.00 H new ATOM 731 N VAL A 49 -11.910 7.588 -3.043 1.00 0.00 N ATOM 732 CA VAL A 49 -10.652 7.256 -2.373 1.00 0.00 C ATOM 733 C VAL A 49 -9.462 7.600 -3.250 1.00 0.00 C ATOM 734 O VAL A 49 -8.639 8.386 -2.795 1.00 0.00 O ATOM 735 CB VAL A 49 -10.681 5.799 -1.883 1.00 0.00 C ATOM 736 CG1 VAL A 49 -9.319 5.240 -1.459 1.00 0.00 C ATOM 737 CG2 VAL A 49 -11.620 5.708 -0.670 1.00 0.00 C ATOM 0 H VAL A 49 -12.201 6.903 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.534 7.871 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.018 5.204 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.436 4.208 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.632 5.274 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.918 5.839 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.651 4.679 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.253 6.359 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.623 6.021 -0.962 1.00 0.00 H new ATOM 747 N LEU A 50 -9.373 7.069 -4.475 1.00 0.00 N ATOM 748 CA LEU A 50 -8.268 7.348 -5.397 1.00 0.00 C ATOM 749 C LEU A 50 -7.854 8.840 -5.393 1.00 0.00 C ATOM 750 O LEU A 50 -6.678 9.101 -5.149 1.00 0.00 O ATOM 751 CB LEU A 50 -8.665 6.892 -6.815 1.00 0.00 C ATOM 752 CG LEU A 50 -8.476 5.400 -7.187 1.00 0.00 C ATOM 753 CD1 LEU A 50 -8.092 5.246 -8.664 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.503 4.601 -6.317 1.00 0.00 C ATOM 0 H LEU A 50 -10.071 6.430 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.396 6.788 -5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.716 7.141 -6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.094 7.487 -7.528 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.455 4.964 -6.989 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.965 4.189 -8.899 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.880 5.665 -9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.158 5.774 -8.854 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.455 3.572 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.512 5.051 -6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.848 4.610 -5.283 1.00 0.00 H new ATOM 766 N PRO A 51 -8.754 9.830 -5.578 1.00 0.00 N ATOM 767 CA PRO A 51 -8.352 11.230 -5.668 1.00 0.00 C ATOM 768 C PRO A 51 -8.066 11.868 -4.295 1.00 0.00 C ATOM 769 O PRO A 51 -7.750 13.062 -4.235 1.00 0.00 O ATOM 770 CB PRO A 51 -9.507 11.909 -6.402 1.00 0.00 C ATOM 771 CG PRO A 51 -10.730 11.122 -5.941 1.00 0.00 C ATOM 772 CD PRO A 51 -10.205 9.716 -5.676 1.00 0.00 C ATOM 0 HA PRO A 51 -7.405 11.343 -6.197 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.585 12.964 -6.139 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.381 11.859 -7.484 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.166 11.558 -5.042 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.509 11.117 -6.704 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.626 9.311 -4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.488 9.038 -6.481 1.00 0.00 H new ATOM 780 N GLN A 52 -8.188 11.119 -3.194 1.00 0.00 N ATOM 781 CA GLN A 52 -7.774 11.489 -1.840 1.00 0.00 C ATOM 782 C GLN A 52 -6.453 10.814 -1.450 1.00 0.00 C ATOM 783 O GLN A 52 -5.913 11.122 -0.392 1.00 0.00 O ATOM 784 CB GLN A 52 -8.882 11.159 -0.820 1.00 0.00 C ATOM 785 CG GLN A 52 -10.213 11.887 -1.099 1.00 0.00 C ATOM 786 CD GLN A 52 -11.232 11.752 0.037 1.00 0.00 C ATOM 787 OE1 GLN A 52 -11.961 12.682 0.368 1.00 0.00 O ATOM 788 NE2 GLN A 52 -11.378 10.576 0.628 1.00 0.00 N ATOM 0 H GLN A 52 -8.601 10.187 -3.228 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.607 12.566 -1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.058 10.083 -0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.535 11.423 0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.011 12.944 -1.272 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.649 11.492 -2.017 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.779 9.794 0.363 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.089 10.452 1.348 1.00 0.00 H new ATOM 797 N LEU A 53 -5.924 9.892 -2.262 1.00 0.00 N ATOM 798 CA LEU A 53 -4.582 9.333 -2.082 1.00 0.00 C ATOM 799 C LEU A 53 -3.623 10.292 -2.792 1.00 0.00 C ATOM 800 O LEU A 53 -4.048 11.356 -3.251 1.00 0.00 O ATOM 801 CB LEU A 53 -4.540 7.877 -2.599 1.00 0.00 C ATOM 802 CG LEU A 53 -5.166 6.764 -1.722 1.00 0.00 C ATOM 803 CD1 LEU A 53 -4.151 5.920 -0.948 1.00 0.00 C ATOM 804 CD2 LEU A 53 -6.181 7.224 -0.699 1.00 0.00 C ATOM 0 H LEU A 53 -6.420 9.511 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.284 9.258 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.038 7.855 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.496 7.616 -2.771 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.662 6.174 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.676 5.166 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.476 5.429 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.576 6.563 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.553 6.363 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.711 7.926 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.012 7.715 -1.206 1.00 0.00 H new ATOM 816 N GLU A 54 -2.324 9.967 -2.810 1.00 0.00 N ATOM 817 CA GLU A 54 -1.346 10.682 -3.631 1.00 0.00 C ATOM 818 C GLU A 54 -1.573 10.236 -5.079 1.00 0.00 C ATOM 819 O GLU A 54 -2.478 10.716 -5.759 1.00 0.00 O ATOM 820 CB GLU A 54 0.103 10.442 -3.145 1.00 0.00 C ATOM 821 CG GLU A 54 0.473 11.066 -1.782 1.00 0.00 C ATOM 822 CD GLU A 54 0.354 12.591 -1.651 1.00 0.00 C ATOM 823 OE1 GLU A 54 0.996 13.341 -2.413 1.00 0.00 O ATOM 824 OE2 GLU A 54 -0.319 13.082 -0.708 1.00 0.00 O ATOM 0 H GLU A 54 -1.926 9.206 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.485 11.760 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.272 9.367 -3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.787 10.833 -3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.160 10.611 -1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.501 10.787 -1.551 1.00 0.00 H new ATOM 831 N GLN A 55 -0.831 9.219 -5.510 1.00 0.00 N ATOM 832 CA GLN A 55 -0.785 8.811 -6.905 1.00 0.00 C ATOM 833 C GLN A 55 -0.382 7.351 -7.051 1.00 0.00 C ATOM 834 O GLN A 55 -1.197 6.610 -7.583 1.00 0.00 O ATOM 835 CB GLN A 55 0.135 9.733 -7.713 1.00 0.00 C ATOM 836 CG GLN A 55 -0.586 10.716 -8.649 1.00 0.00 C ATOM 837 CD GLN A 55 -0.114 10.573 -10.094 1.00 0.00 C ATOM 838 OE1 GLN A 55 0.628 11.393 -10.629 1.00 0.00 O ATOM 839 NE2 GLN A 55 -0.504 9.499 -10.758 1.00 0.00 N ATOM 0 H GLN A 55 -0.244 8.655 -4.896 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.792 8.905 -7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.753 10.303 -7.019 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.809 9.117 -8.308 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.661 10.543 -8.599 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.411 11.737 -8.309 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.120 8.819 -10.312 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.189 9.350 -11.717 1.00 0.00 H new ATOM 848 N PRO A 56 0.816 6.876 -6.648 1.00 0.00 N ATOM 849 CA PRO A 56 1.127 5.480 -6.878 1.00 0.00 C ATOM 850 C PRO A 56 0.342 4.607 -5.898 1.00 0.00 C ATOM 851 O PRO A 56 0.834 4.213 -4.841 1.00 0.00 O ATOM 852 CB PRO A 56 2.644 5.357 -6.821 1.00 0.00 C ATOM 853 CG PRO A 56 3.094 6.532 -5.971 1.00 0.00 C ATOM 854 CD PRO A 56 2.025 7.591 -6.241 1.00 0.00 C ATOM 0 HA PRO A 56 0.814 5.115 -7.856 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.948 4.409 -6.378 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.082 5.399 -7.818 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.142 6.269 -4.914 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.086 6.880 -6.258 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.839 8.189 -5.349 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.350 8.278 -7.023 1.00 0.00 H new ATOM 862 N TYR A 57 -0.857 4.213 -6.323 1.00 0.00 N ATOM 863 CA TYR A 57 -1.813 3.409 -5.577 1.00 0.00 C ATOM 864 C TYR A 57 -1.389 1.936 -5.647 1.00 0.00 C ATOM 865 O TYR A 57 -1.646 1.229 -6.628 1.00 0.00 O ATOM 866 CB TYR A 57 -3.225 3.589 -6.159 1.00 0.00 C ATOM 867 CG TYR A 57 -3.669 5.013 -6.462 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.490 6.055 -5.529 1.00 0.00 C ATOM 869 CD2 TYR A 57 -4.226 5.292 -7.723 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.818 7.378 -5.887 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.578 6.610 -8.073 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.352 7.664 -7.162 1.00 0.00 C ATOM 873 OH TYR A 57 -4.638 8.949 -7.518 1.00 0.00 O ATOM 0 H TYR A 57 -1.203 4.462 -7.250 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.830 3.732 -4.536 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.288 3.011 -7.081 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.938 3.153 -5.460 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.103 5.840 -4.544 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.385 4.490 -8.428 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.660 8.179 -5.180 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.020 6.814 -9.037 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.312 9.315 -6.908 1.00 0.00 H new ATOM 883 N VAL A 58 -0.675 1.495 -4.613 1.00 0.00 N ATOM 884 CA VAL A 58 -0.148 0.144 -4.535 1.00 0.00 C ATOM 885 C VAL A 58 -1.283 -0.798 -4.118 1.00 0.00 C ATOM 886 O VAL A 58 -1.515 -0.988 -2.922 1.00 0.00 O ATOM 887 CB VAL A 58 1.075 0.078 -3.597 1.00 0.00 C ATOM 888 CG1 VAL A 58 1.850 -1.222 -3.820 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.072 1.215 -3.821 1.00 0.00 C ATOM 0 H VAL A 58 -0.447 2.072 -3.804 1.00 0.00 H new ATOM 0 HA VAL A 58 0.218 -0.178 -5.510 1.00 0.00 H new ATOM 0 HB VAL A 58 0.665 0.149 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.710 -1.253 -3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.200 -2.073 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.193 -1.268 -4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.907 1.108 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.442 1.178 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.578 2.171 -3.649 1.00 0.00 H new ATOM 899 N PHE A 59 -2.036 -1.362 -5.058 1.00 0.00 N ATOM 900 CA PHE A 59 -3.193 -2.208 -4.759 1.00 0.00 C ATOM 901 C PHE A 59 -2.793 -3.618 -4.379 1.00 0.00 C ATOM 902 O PHE A 59 -1.730 -4.113 -4.762 1.00 0.00 O ATOM 903 CB PHE A 59 -4.084 -2.310 -5.998 1.00 0.00 C ATOM 904 CG PHE A 59 -4.631 -1.011 -6.541 1.00 0.00 C ATOM 905 CD1 PHE A 59 -5.510 -0.236 -5.773 1.00 0.00 C ATOM 906 CD2 PHE A 59 -4.249 -0.578 -7.821 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.898 1.038 -6.236 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.697 0.665 -8.307 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.502 1.490 -7.507 1.00 0.00 C ATOM 0 H PHE A 59 -1.861 -1.246 -6.056 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.712 -1.746 -3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.515 -2.798 -6.789 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.925 -2.962 -5.761 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.888 -0.612 -4.833 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.611 -1.199 -8.433 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.505 1.673 -5.608 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.420 0.985 -9.300 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.814 2.461 -7.863 1.00 0.00 H new ATOM 919 N ILE A 60 -3.739 -4.268 -3.703 1.00 0.00 N ATOM 920 CA ILE A 60 -3.703 -5.680 -3.424 1.00 0.00 C ATOM 921 C ILE A 60 -4.819 -6.362 -4.204 1.00 0.00 C ATOM 922 O ILE A 60 -6.002 -6.123 -3.951 1.00 0.00 O ATOM 923 CB ILE A 60 -3.700 -5.972 -1.914 1.00 0.00 C ATOM 924 CG1 ILE A 60 -4.980 -5.646 -1.124 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.491 -5.302 -1.280 1.00 0.00 C ATOM 926 CD1 ILE A 60 -4.991 -6.200 0.303 1.00 0.00 C ATOM 0 H ILE A 60 -4.567 -3.804 -3.330 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.761 -6.107 -3.768 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.650 -7.059 -1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.103 -4.564 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.839 -6.045 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.483 -5.505 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.579 -5.694 -1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.543 -4.226 -1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.926 -5.927 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.901 -7.286 0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.154 -5.782 0.862 1.00 0.00 H new ATOM 938 N LYS A 61 -4.460 -7.209 -5.163 1.00 0.00 N ATOM 939 CA LYS A 61 -5.412 -8.060 -5.868 1.00 0.00 C ATOM 940 C LYS A 61 -5.108 -9.510 -5.598 1.00 0.00 C ATOM 941 O LYS A 61 -3.975 -9.837 -5.270 1.00 0.00 O ATOM 942 CB LYS A 61 -5.517 -7.752 -7.357 1.00 0.00 C ATOM 943 CG LYS A 61 -4.198 -7.502 -8.040 1.00 0.00 C ATOM 944 CD LYS A 61 -4.206 -8.051 -9.474 1.00 0.00 C ATOM 945 CE LYS A 61 -2.767 -8.308 -9.844 1.00 0.00 C ATOM 946 NZ LYS A 61 -2.549 -9.366 -10.851 1.00 0.00 N ATOM 0 H LYS A 61 -3.496 -7.325 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.402 -7.836 -5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.016 -8.585 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.152 -6.876 -7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.991 -6.432 -8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.396 -7.972 -7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.792 -8.968 -9.535 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.661 -7.337 -10.160 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.335 -7.380 -10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.219 -8.573 -8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.570 -9.319 -11.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.719 -10.297 -10.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.205 -9.229 -11.646 1.00 0.00 H new ATOM 960 N ARG A 62 -6.112 -10.379 -5.742 1.00 0.00 N ATOM 961 CA ARG A 62 -6.104 -11.788 -5.336 1.00 0.00 C ATOM 962 C ARG A 62 -5.250 -12.718 -6.190 1.00 0.00 C ATOM 963 O ARG A 62 -5.720 -13.743 -6.670 1.00 0.00 O ATOM 964 CB ARG A 62 -7.526 -12.277 -5.053 1.00 0.00 C ATOM 965 CG ARG A 62 -8.404 -12.220 -6.284 1.00 0.00 C ATOM 966 CD ARG A 62 -9.530 -13.259 -6.267 1.00 0.00 C ATOM 967 NE ARG A 62 -10.135 -13.501 -7.592 1.00 0.00 N ATOM 968 CZ ARG A 62 -11.293 -14.147 -7.790 1.00 0.00 C ATOM 969 NH1 ARG A 62 -11.998 -14.672 -6.788 1.00 0.00 N ATOM 970 NH2 ARG A 62 -11.759 -14.293 -9.022 1.00 0.00 N ATOM 0 H ARG A 62 -6.998 -10.105 -6.167 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.562 -11.833 -4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.489 -13.301 -4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.968 -11.668 -4.265 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.838 -11.224 -6.368 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.788 -12.375 -7.170 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.139 -14.199 -5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.307 -12.928 -5.578 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.638 -13.153 -8.412 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.661 -14.590 -5.829 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.875 -15.156 -6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.237 -13.915 -9.813 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.639 -14.783 -9.179 1.00 0.00 H new ATOM 984 N SER A 63 -3.986 -12.348 -6.367 1.00 0.00 N ATOM 985 CA SER A 63 -3.000 -12.862 -7.298 1.00 0.00 C ATOM 986 C SER A 63 -3.485 -12.540 -8.712 1.00 0.00 C ATOM 987 O SER A 63 -2.860 -11.734 -9.396 1.00 0.00 O ATOM 988 CB SER A 63 -2.758 -14.345 -7.005 1.00 0.00 C ATOM 989 OG SER A 63 -1.389 -14.679 -6.895 1.00 0.00 O ATOM 0 H SER A 63 -3.590 -11.600 -5.798 1.00 0.00 H new ATOM 0 HA SER A 63 -2.022 -12.392 -7.192 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.265 -14.612 -6.078 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.208 -14.943 -7.798 1.00 0.00 H new ATOM 0 HG SER A 63 -1.300 -15.637 -6.706 1.00 0.00 H new ATOM 1116 N LYS A 73 -7.989 -16.509 1.011 1.00 0.00 N ATOM 1117 CA LYS A 73 -7.965 -15.430 0.048 1.00 0.00 C ATOM 1118 C LYS A 73 -6.538 -14.942 -0.159 1.00 0.00 C ATOM 1119 O LYS A 73 -6.067 -14.048 0.553 1.00 0.00 O ATOM 1120 CB LYS A 73 -8.936 -14.351 0.532 1.00 0.00 C ATOM 1121 CG LYS A 73 -10.341 -14.705 0.031 1.00 0.00 C ATOM 1122 CD LYS A 73 -11.346 -13.611 0.362 1.00 0.00 C ATOM 1123 CE LYS A 73 -11.584 -13.538 1.874 1.00 0.00 C ATOM 1124 NZ LYS A 73 -12.526 -12.470 2.240 1.00 0.00 N ATOM 0 HA LYS A 73 -8.298 -15.756 -0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.925 -14.292 1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.634 -13.373 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.315 -14.861 -1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.663 -15.644 0.482 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.979 -12.651 -0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.288 -13.807 -0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.969 -14.495 2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.634 -13.371 2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.655 -12.460 3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.148 -11.552 1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.442 -12.642 1.778 1.00 0.00 H new ATOM 1138 N VAL A 74 -5.856 -15.541 -1.127 1.00 0.00 N ATOM 1139 CA VAL A 74 -4.535 -15.104 -1.579 1.00 0.00 C ATOM 1140 C VAL A 74 -4.646 -13.662 -2.097 1.00 0.00 C ATOM 1141 O VAL A 74 -5.695 -13.311 -2.628 1.00 0.00 O ATOM 1142 CB VAL A 74 -3.996 -16.056 -2.668 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -2.543 -15.698 -3.001 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -4.010 -17.528 -2.231 1.00 0.00 C ATOM 0 H VAL A 74 -6.207 -16.356 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.828 -15.130 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.653 -15.935 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.169 -16.374 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.495 -14.672 -3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.930 -15.794 -2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.620 -18.150 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.388 -17.650 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.032 -17.830 -2.001 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.586 -12.850 -2.005 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.390 -11.622 -2.777 1.00 0.00 C ATOM 1156 C VAL A 75 -1.930 -11.449 -3.178 1.00 0.00 C ATOM 1157 O VAL A 75 -1.092 -12.303 -2.895 1.00 0.00 O ATOM 1158 CB VAL A 75 -3.977 -10.363 -2.099 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.510 -10.296 -2.127 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -3.437 -10.202 -0.675 1.00 0.00 C ATOM 0 H VAL A 75 -2.814 -13.039 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.969 -11.738 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.639 -9.518 -2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.843 -9.384 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.855 -10.295 -3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.922 -11.162 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.866 -9.308 -0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.708 -11.076 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.352 -10.107 -0.706 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.614 -10.352 -3.851 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.255 -9.930 -4.124 1.00 0.00 C ATOM 1172 C GLU A 76 -0.232 -8.413 -4.185 1.00 0.00 C ATOM 1173 O GLU A 76 -1.276 -7.762 -4.133 1.00 0.00 O ATOM 1174 CB GLU A 76 0.233 -10.509 -5.468 1.00 0.00 C ATOM 1175 CG GLU A 76 -0.447 -9.927 -6.733 1.00 0.00 C ATOM 1176 CD GLU A 76 0.259 -10.336 -8.035 1.00 0.00 C ATOM 1177 OE1 GLU A 76 0.976 -11.371 -8.040 1.00 0.00 O ATOM 1178 OE2 GLU A 76 0.171 -9.617 -9.052 1.00 0.00 O ATOM 0 H GLU A 76 -2.316 -9.717 -4.230 1.00 0.00 H new ATOM 0 HA GLU A 76 0.406 -10.292 -3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.308 -10.343 -5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.077 -11.588 -5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.484 -10.261 -6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.465 -8.839 -6.662 1.00 0.00 H new ATOM 1185 N LEU A 77 0.981 -7.885 -4.303 1.00 0.00 N ATOM 1186 CA LEU A 77 1.327 -6.482 -4.460 1.00 0.00 C ATOM 1187 C LEU A 77 1.361 -6.085 -5.939 1.00 0.00 C ATOM 1188 O LEU A 77 1.935 -6.818 -6.750 1.00 0.00 O ATOM 1189 CB LEU A 77 2.761 -6.379 -3.919 1.00 0.00 C ATOM 1190 CG LEU A 77 2.838 -5.792 -2.520 1.00 0.00 C ATOM 1191 CD1 LEU A 77 2.687 -4.282 -2.634 1.00 0.00 C ATOM 1192 CD2 LEU A 77 1.856 -6.292 -1.469 1.00 0.00 C ATOM 0 H LEU A 77 1.812 -8.476 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 77 0.606 -5.840 -3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.211 -7.372 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.353 -5.764 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 77 3.805 -6.130 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.739 -3.835 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.489 -3.882 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.725 -4.046 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.039 -5.777 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.837 -6.092 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.988 -7.365 -1.329 1.00 0.00 H new ATOM 1204 N VAL A 78 0.808 -4.918 -6.264 1.00 0.00 N ATOM 1205 CA VAL A 78 0.725 -4.351 -7.607 1.00 0.00 C ATOM 1206 C VAL A 78 0.851 -2.832 -7.449 1.00 0.00 C ATOM 1207 O VAL A 78 0.477 -2.324 -6.394 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.606 -4.777 -8.281 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -0.495 -4.950 -9.803 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -1.157 -6.109 -7.775 1.00 0.00 C ATOM 0 H VAL A 78 0.384 -4.312 -5.561 1.00 0.00 H new ATOM 0 HA VAL A 78 1.520 -4.714 -8.258 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.268 -3.952 -8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.463 -5.248 -10.207 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.188 -4.007 -10.255 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.245 -5.718 -10.029 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.088 -6.338 -8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.431 -6.899 -7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.345 -6.041 -6.704 1.00 0.00 H new ATOM 1220 N ALA A 79 1.334 -2.094 -8.452 1.00 0.00 N ATOM 1221 CA ALA A 79 1.461 -0.634 -8.403 1.00 0.00 C ATOM 1222 C ALA A 79 1.007 -0.048 -9.750 1.00 0.00 C ATOM 1223 O ALA A 79 1.460 -0.471 -10.813 1.00 0.00 O ATOM 1224 CB ALA A 79 2.911 -0.263 -8.025 1.00 0.00 C ATOM 0 H ALA A 79 1.652 -2.498 -9.333 1.00 0.00 H new ATOM 0 HA ALA A 79 0.818 -0.202 -7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.011 0.822 -7.987 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.152 -0.684 -7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.596 -0.665 -8.772 1.00 0.00 H new ATOM 1230 N GLU A 80 0.076 0.908 -9.709 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.443 1.714 -10.820 1.00 0.00 C ATOM 1232 C GLU A 80 -0.338 3.193 -10.410 1.00 0.00 C ATOM 1233 O GLU A 80 -0.239 3.477 -9.214 1.00 0.00 O ATOM 1234 CB GLU A 80 -1.900 1.334 -11.144 1.00 0.00 C ATOM 1235 CG GLU A 80 -2.102 0.020 -11.928 1.00 0.00 C ATOM 1236 CD GLU A 80 -1.872 0.115 -13.440 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -1.165 1.043 -13.904 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -2.436 -0.702 -14.190 1.00 0.00 O ATOM 0 H GLU A 80 -0.371 1.160 -8.828 1.00 0.00 H new ATOM 0 HA GLU A 80 0.139 1.530 -11.723 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.452 1.262 -10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.347 2.147 -11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.427 -0.733 -11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.118 -0.335 -11.754 1.00 0.00 H new ATOM 1245 N MET A 81 -0.375 4.118 -11.378 1.00 0.00 N ATOM 1246 CA MET A 81 -0.124 5.558 -11.227 1.00 0.00 C ATOM 1247 C MET A 81 -1.438 6.330 -11.288 1.00 0.00 C ATOM 1248 O MET A 81 -1.800 7.035 -10.356 1.00 0.00 O ATOM 1249 CB MET A 81 0.806 6.085 -12.335 1.00 0.00 C ATOM 1250 CG MET A 81 2.033 5.196 -12.539 1.00 0.00 C ATOM 1251 SD MET A 81 3.254 5.797 -13.736 1.00 0.00 S ATOM 1252 CE MET A 81 3.915 7.226 -12.858 1.00 0.00 C ATOM 0 H MET A 81 -0.593 3.868 -12.342 1.00 0.00 H new ATOM 0 HA MET A 81 0.356 5.705 -10.260 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.250 6.152 -13.270 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.130 7.095 -12.083 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.529 5.067 -11.577 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.695 4.210 -12.858 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.785 7.610 -13.390 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.153 8.003 -12.802 1.00 0.00 H new ATOM 0 HE3 MET A 81 4.207 6.931 -11.850 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.196 6.155 -12.373 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.554 6.694 -12.468 1.00 0.00 C ATOM 1264 C ASP A 82 -4.552 5.750 -11.797 1.00 0.00 C ATOM 1265 O ASP A 82 -5.760 5.971 -11.851 1.00 0.00 O ATOM 1266 CB ASP A 82 -3.934 6.953 -13.923 1.00 0.00 C ATOM 1267 CG ASP A 82 -4.523 8.343 -14.119 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -3.717 9.301 -14.242 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -5.751 8.473 -14.266 1.00 0.00 O ATOM 0 H ASP A 82 -1.891 5.642 -13.200 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.584 7.648 -11.942 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.052 6.841 -14.554 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.656 6.204 -14.248 1.00 0.00 H new ATOM 1274 N GLY A 83 -4.045 4.667 -11.196 1.00 0.00 N ATOM 1275 CA GLY A 83 -4.828 3.519 -10.805 1.00 0.00 C ATOM 1276 C GLY A 83 -5.480 2.870 -12.016 1.00 0.00 C ATOM 1277 O GLY A 83 -6.629 2.452 -11.913 1.00 0.00 O ATOM 0 H GLY A 83 -3.055 4.576 -10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.191 2.795 -10.298 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.595 3.822 -10.093 1.00 0.00 H new ATOM 1281 N ILE A 84 -4.764 2.826 -13.151 1.00 0.00 N ATOM 1282 CA ILE A 84 -5.295 2.423 -14.455 1.00 0.00 C ATOM 1283 C ILE A 84 -6.100 1.123 -14.379 1.00 0.00 C ATOM 1284 O ILE A 84 -7.140 1.006 -15.030 1.00 0.00 O ATOM 1285 CB ILE A 84 -4.128 2.339 -15.468 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -3.835 3.744 -16.029 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -4.381 1.313 -16.582 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -2.675 3.779 -17.028 1.00 0.00 C ATOM 0 H ILE A 84 -3.776 3.077 -13.184 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.004 3.177 -14.798 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.245 1.978 -14.941 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.733 4.126 -16.515 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.610 4.416 -15.201 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.530 1.297 -17.263 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.513 0.324 -16.143 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.281 1.588 -17.133 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.528 4.800 -17.379 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.765 3.428 -16.541 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.905 3.133 -17.876 1.00 0.00 H new ATOM 1300 N GLN A 85 -5.609 0.138 -13.633 1.00 0.00 N ATOM 1301 CA GLN A 85 -6.315 -1.096 -13.379 1.00 0.00 C ATOM 1302 C GLN A 85 -6.325 -1.351 -11.882 1.00 0.00 C ATOM 1303 O GLN A 85 -5.725 -0.618 -11.092 1.00 0.00 O ATOM 1304 CB GLN A 85 -5.680 -2.267 -14.160 1.00 0.00 C ATOM 1305 CG GLN A 85 -6.650 -2.820 -15.211 1.00 0.00 C ATOM 1306 CD GLN A 85 -6.393 -4.288 -15.537 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -6.598 -5.157 -14.695 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -5.984 -4.626 -16.746 1.00 0.00 N ATOM 0 H GLN A 85 -4.694 0.184 -13.185 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.344 -1.013 -13.729 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.765 -1.930 -14.647 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.399 -3.060 -13.467 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.672 -2.706 -14.851 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.566 -2.230 -16.123 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.813 -3.905 -17.447 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.839 -5.608 -16.979 1.00 0.00 H new ATOM 1317 N TYR A 86 -7.027 -2.417 -11.526 1.00 0.00 N ATOM 1318 CA TYR A 86 -7.127 -3.035 -10.215 1.00 0.00 C ATOM 1319 C TYR A 86 -7.962 -2.188 -9.264 1.00 0.00 C ATOM 1320 O TYR A 86 -8.968 -2.698 -8.784 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.749 -3.436 -9.671 1.00 0.00 C ATOM 1322 CG TYR A 86 -4.854 -4.053 -10.732 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -5.263 -5.212 -11.419 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.667 -3.407 -11.115 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -4.453 -5.762 -12.429 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -2.859 -3.936 -12.134 1.00 0.00 C ATOM 1327 CZ TYR A 86 -3.234 -5.138 -12.774 1.00 0.00 C ATOM 1328 OH TYR A 86 -2.432 -5.698 -13.718 1.00 0.00 O ATOM 0 H TYR A 86 -7.593 -2.916 -12.213 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.672 -3.974 -10.315 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.258 -2.557 -9.255 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.878 -4.146 -8.854 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -6.203 -5.681 -11.169 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.373 -2.493 -10.620 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.763 -6.661 -12.940 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.954 -3.426 -12.428 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.633 -5.144 -13.839 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.630 -0.915 -9.043 1.00 0.00 N ATOM 1339 CA GLY A 87 -8.364 -0.026 -8.148 1.00 0.00 C ATOM 1340 C GLY A 87 -9.855 0.000 -8.471 1.00 0.00 C ATOM 1341 O GLY A 87 -10.681 -0.283 -7.612 1.00 0.00 O ATOM 0 H GLY A 87 -6.830 -0.468 -9.490 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.221 -0.350 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.958 0.983 -8.225 1.00 0.00 H new ATOM 1345 N ARG A 88 -10.216 0.348 -9.711 1.00 0.00 N ATOM 1346 CA ARG A 88 -11.613 0.348 -10.173 1.00 0.00 C ATOM 1347 C ARG A 88 -12.077 -1.027 -10.681 1.00 0.00 C ATOM 1348 O ARG A 88 -13.123 -1.110 -11.329 1.00 0.00 O ATOM 1349 CB ARG A 88 -11.856 1.472 -11.207 1.00 0.00 C ATOM 1350 CG ARG A 88 -10.902 1.503 -12.407 1.00 0.00 C ATOM 1351 CD ARG A 88 -9.688 2.417 -12.177 1.00 0.00 C ATOM 1352 NE ARG A 88 -9.861 3.757 -12.761 1.00 0.00 N ATOM 1353 CZ ARG A 88 -10.364 4.866 -12.205 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -10.833 4.902 -10.961 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -10.410 5.971 -12.935 1.00 0.00 N ATOM 0 H ARG A 88 -9.548 0.638 -10.425 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.235 0.561 -9.304 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.875 1.379 -11.582 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.792 2.431 -10.693 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.555 0.491 -12.616 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.445 1.843 -13.289 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.510 2.513 -11.106 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -8.802 1.950 -12.607 1.00 0.00 H new ATOM 0 HE ARG A 88 -9.553 3.855 -13.729 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.819 4.060 -10.386 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.207 5.772 -10.582 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.067 5.962 -13.896 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -10.788 6.830 -12.536 1.00 0.00 H new ATOM 1369 N SER A 89 -11.287 -2.089 -10.518 1.00 0.00 N ATOM 1370 CA SER A 89 -11.688 -3.419 -10.967 1.00 0.00 C ATOM 1371 C SER A 89 -12.698 -4.050 -9.990 1.00 0.00 C ATOM 1372 O SER A 89 -13.090 -3.412 -9.013 1.00 0.00 O ATOM 1373 CB SER A 89 -10.446 -4.278 -11.207 1.00 0.00 C ATOM 1374 OG SER A 89 -9.602 -3.659 -12.173 1.00 0.00 O ATOM 0 H SER A 89 -10.367 -2.052 -10.079 1.00 0.00 H new ATOM 0 HA SER A 89 -12.212 -3.346 -11.920 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.903 -4.415 -10.272 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.741 -5.269 -11.552 1.00 0.00 H new ATOM 0 HG SER A 89 -8.996 -4.328 -12.554 1.00 0.00 H new ATOM 1380 N GLY A 90 -13.157 -5.273 -10.277 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.994 -6.048 -9.367 1.00 0.00 C ATOM 1382 C GLY A 90 -13.201 -7.140 -8.658 1.00 0.00 C ATOM 1383 O GLY A 90 -13.631 -7.631 -7.613 1.00 0.00 O ATOM 0 H GLY A 90 -12.954 -5.752 -11.154 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.438 -5.383 -8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.815 -6.499 -9.924 1.00 0.00 H new ATOM 1387 N ILE A 91 -12.008 -7.477 -9.155 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.896 -7.880 -8.302 1.00 0.00 C ATOM 1389 C ILE A 91 -10.523 -6.704 -7.369 1.00 0.00 C ATOM 1390 O ILE A 91 -11.030 -5.589 -7.513 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.730 -8.423 -9.187 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.677 -9.150 -8.357 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -9.005 -7.390 -10.080 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -7.797 -10.121 -9.163 1.00 0.00 C ATOM 0 H ILE A 91 -11.791 -7.477 -10.152 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.166 -8.706 -7.644 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.251 -9.104 -9.860 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.036 -8.411 -7.876 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.176 -9.704 -7.562 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.217 -7.887 -10.645 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.719 -6.941 -10.770 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.567 -6.612 -9.455 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.076 -10.596 -8.498 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.424 -10.885 -9.622 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.267 -9.571 -9.941 1.00 0.00 H new ATOM 1406 N THR A 92 -9.609 -6.978 -6.443 1.00 0.00 N ATOM 1407 CA THR A 92 -8.866 -6.059 -5.587 1.00 0.00 C ATOM 1408 C THR A 92 -9.572 -5.934 -4.237 1.00 0.00 C ATOM 1409 O THR A 92 -10.783 -6.143 -4.151 1.00 0.00 O ATOM 1410 CB THR A 92 -8.580 -4.704 -6.266 1.00 0.00 C ATOM 1411 OG1 THR A 92 -8.106 -4.926 -7.578 1.00 0.00 O ATOM 1412 CG2 THR A 92 -7.510 -3.857 -5.577 1.00 0.00 C ATOM 0 H THR A 92 -9.344 -7.945 -6.255 1.00 0.00 H new ATOM 0 HA THR A 92 -7.875 -6.476 -5.406 1.00 0.00 H new ATOM 0 HB THR A 92 -9.528 -4.167 -6.224 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.595 -4.352 -8.204 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.377 -2.924 -6.124 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.821 -3.638 -4.556 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.568 -4.405 -5.559 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.801 -5.677 -3.173 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.302 -5.601 -1.801 1.00 0.00 C ATOM 1422 C LEU A 93 -9.003 -4.233 -1.182 1.00 0.00 C ATOM 1423 O LEU A 93 -9.818 -3.738 -0.408 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.758 -6.726 -0.917 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.807 -8.135 -1.542 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -8.162 -9.087 -0.554 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -10.206 -8.679 -1.831 1.00 0.00 C ATOM 0 H LEU A 93 -7.797 -5.514 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.383 -5.730 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.724 -6.496 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.323 -6.740 0.015 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.300 -8.057 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.177 -10.098 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.131 -8.783 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.714 -9.065 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.126 -9.674 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.774 -8.735 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.717 -8.016 -2.529 1.00 0.00 H new ATOM 1439 N GLY A 94 -7.868 -3.602 -1.494 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.525 -2.273 -0.994 1.00 0.00 C ATOM 1441 C GLY A 94 -6.189 -1.827 -1.586 1.00 0.00 C ATOM 1442 O GLY A 94 -5.684 -2.453 -2.524 1.00 0.00 O ATOM 0 H GLY A 94 -7.158 -4.004 -2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.307 -1.561 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.464 -2.288 0.094 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.617 -0.768 -1.022 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.266 -0.266 -1.271 1.00 0.00 C ATOM 1448 C VAL A 95 -3.464 -0.393 0.003 1.00 0.00 C ATOM 1449 O VAL A 95 -4.027 -0.416 1.096 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.342 1.194 -1.783 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -3.003 1.929 -1.891 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -4.896 1.222 -3.189 1.00 0.00 C ATOM 0 H VAL A 95 -6.114 -0.200 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.766 -0.849 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.963 1.689 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.172 2.941 -2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.532 1.974 -0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.350 1.396 -2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.946 2.253 -3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.247 0.645 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.896 0.788 -3.195 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.149 -0.487 -0.159 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.220 -0.430 0.941 1.00 0.00 C ATOM 1464 C LEU A 96 -0.572 0.940 1.002 1.00 0.00 C ATOM 1465 O LEU A 96 -0.194 1.518 -0.022 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.145 -1.500 0.773 1.00 0.00 C ATOM 1467 CG LEU A 96 -0.600 -2.906 1.184 1.00 0.00 C ATOM 1468 CD1 LEU A 96 0.584 -3.850 0.980 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -1.028 -2.969 2.655 1.00 0.00 C ATOM 0 H LEU A 96 -1.704 -0.606 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.762 -0.611 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.173 -1.522 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.726 -1.222 1.366 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.461 -3.186 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.295 -4.862 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.883 -3.838 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.420 -3.524 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.342 -3.984 2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.189 -2.686 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.858 -2.282 2.822 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.376 1.382 2.233 1.00 0.00 N ATOM 1482 CA VAL A 97 0.255 2.613 2.683 1.00 0.00 C ATOM 1483 C VAL A 97 1.114 2.244 3.895 1.00 0.00 C ATOM 1484 O VAL A 97 0.993 1.117 4.401 1.00 0.00 O ATOM 1485 CB VAL A 97 -0.851 3.635 3.030 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -1.585 4.068 1.745 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -1.857 3.072 4.057 1.00 0.00 C ATOM 0 H VAL A 97 -0.689 0.826 3.029 1.00 0.00 H new ATOM 0 HA VAL A 97 0.888 3.071 1.923 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.372 4.501 3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.364 4.788 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.875 4.526 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.037 3.196 1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.617 3.824 4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.333 2.181 3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.332 2.814 4.977 1.00 0.00 H new ATOM 1497 N PRO A 98 1.992 3.128 4.372 1.00 0.00 N ATOM 1498 CA PRO A 98 2.613 2.948 5.672 1.00 0.00 C ATOM 1499 C PRO A 98 1.556 2.911 6.790 1.00 0.00 C ATOM 1500 O PRO A 98 0.456 3.428 6.624 1.00 0.00 O ATOM 1501 CB PRO A 98 3.584 4.117 5.835 1.00 0.00 C ATOM 1502 CG PRO A 98 3.702 4.737 4.437 1.00 0.00 C ATOM 1503 CD PRO A 98 2.414 4.359 3.734 1.00 0.00 C ATOM 0 HA PRO A 98 3.140 1.996 5.741 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.210 4.842 6.558 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.554 3.776 6.198 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.819 5.819 4.493 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.571 4.350 3.905 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.661 5.139 3.842 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.574 4.216 2.665 1.00 0.00 H new ATOM 1511 N HIS A 99 1.901 2.331 7.941 1.00 0.00 N ATOM 1512 CA HIS A 99 1.259 2.587 9.225 1.00 0.00 C ATOM 1513 C HIS A 99 2.256 3.308 10.136 1.00 0.00 C ATOM 1514 O HIS A 99 3.285 2.733 10.509 1.00 0.00 O ATOM 1515 CB HIS A 99 0.782 1.274 9.867 1.00 0.00 C ATOM 1516 CG HIS A 99 0.462 1.419 11.336 1.00 0.00 C ATOM 1517 ND1 HIS A 99 1.147 0.840 12.384 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.465 2.272 11.874 1.00 0.00 C ATOM 1519 CE1 HIS A 99 0.622 1.320 13.522 1.00 0.00 C ATOM 1520 NE2 HIS A 99 -0.379 2.184 13.264 1.00 0.00 N ATOM 0 H HIS A 99 2.658 1.650 8.004 1.00 0.00 H new ATOM 0 HA HIS A 99 0.381 3.215 9.076 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -0.104 0.919 9.341 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.553 0.513 9.742 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.144 2.903 11.319 1.00 0.00 H new ATOM 0 HE1 HIS A 99 0.957 1.050 14.512 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -0.957 2.674 13.946 1.00 0.00 H new ATOM 1528 N VAL A 100 1.938 4.547 10.500 1.00 0.00 N ATOM 1529 CA VAL A 100 2.680 5.418 11.402 1.00 0.00 C ATOM 1530 C VAL A 100 1.687 5.943 12.454 1.00 0.00 C ATOM 1531 O VAL A 100 1.476 7.144 12.621 1.00 0.00 O ATOM 1532 CB VAL A 100 3.453 6.474 10.573 1.00 0.00 C ATOM 1533 CG1 VAL A 100 4.240 7.474 11.431 1.00 0.00 C ATOM 1534 CG2 VAL A 100 4.473 5.775 9.653 1.00 0.00 C ATOM 0 H VAL A 100 1.095 4.999 10.146 1.00 0.00 H new ATOM 0 HA VAL A 100 3.463 4.910 11.964 1.00 0.00 H new ATOM 0 HB VAL A 100 2.692 7.018 10.013 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.756 8.183 10.783 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.553 8.013 12.084 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.971 6.938 12.036 1.00 0.00 H new ATOM 0 HG21 VAL A 100 5.013 6.524 9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.179 5.206 10.258 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.950 5.100 8.976 1.00 0.00 H new ATOM 1544 N GLY A 101 1.046 5.027 13.189 1.00 0.00 N ATOM 1545 CA GLY A 101 0.260 5.365 14.377 1.00 0.00 C ATOM 1546 C GLY A 101 -0.935 6.276 14.082 1.00 0.00 C ATOM 1547 O GLY A 101 -1.347 7.051 14.938 1.00 0.00 O ATOM 0 H GLY A 101 1.059 4.030 12.975 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.100 4.445 14.838 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.908 5.854 15.104 1.00 0.00 H new ATOM 1551 N GLU A 102 -1.484 6.210 12.872 1.00 0.00 N ATOM 1552 CA GLU A 102 -2.546 7.073 12.340 1.00 0.00 C ATOM 1553 C GLU A 102 -3.944 6.733 12.883 1.00 0.00 C ATOM 1554 O GLU A 102 -4.939 7.294 12.431 1.00 0.00 O ATOM 1555 CB GLU A 102 -2.489 7.010 10.815 1.00 0.00 C ATOM 1556 CG GLU A 102 -1.236 7.733 10.309 1.00 0.00 C ATOM 1557 CD GLU A 102 -0.586 7.001 9.136 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -0.198 5.821 9.356 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -0.392 7.623 8.075 1.00 0.00 O ATOM 0 H GLU A 102 -1.184 5.511 12.192 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.368 8.093 12.680 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.478 5.971 10.486 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.381 7.470 10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.500 8.745 10.003 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.517 7.824 11.123 1.00 0.00 H new ATOM 1566 N THR A 103 -4.009 5.753 13.780 1.00 0.00 N ATOM 1567 CA THR A 103 -5.168 5.211 14.479 1.00 0.00 C ATOM 1568 C THR A 103 -6.080 4.396 13.542 1.00 0.00 C ATOM 1569 O THR A 103 -6.792 4.962 12.713 1.00 0.00 O ATOM 1570 CB THR A 103 -5.903 6.339 15.209 1.00 0.00 C ATOM 1571 OG1 THR A 103 -5.075 6.839 16.240 1.00 0.00 O ATOM 1572 CG2 THR A 103 -7.218 5.864 15.828 1.00 0.00 C ATOM 0 H THR A 103 -3.158 5.268 14.065 1.00 0.00 H new ATOM 0 HA THR A 103 -4.827 4.499 15.230 1.00 0.00 H new ATOM 0 HB THR A 103 -6.132 7.112 14.476 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.539 7.563 16.710 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.704 6.698 16.335 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.873 5.485 15.044 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.016 5.070 16.547 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.075 3.055 13.638 1.00 0.00 N ATOM 1581 CA PRO A 104 -6.994 2.227 12.877 1.00 0.00 C ATOM 1582 C PRO A 104 -8.413 2.197 13.432 1.00 0.00 C ATOM 1583 O PRO A 104 -8.639 2.316 14.641 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.385 0.830 12.877 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.501 0.785 14.119 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.108 2.238 14.349 1.00 0.00 C ATOM 0 HA PRO A 104 -7.108 2.640 11.875 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.158 0.062 12.915 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.804 0.653 11.972 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.038 0.377 14.976 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.625 0.155 13.962 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.111 2.475 15.413 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.099 2.428 13.983 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.351 1.908 12.526 1.00 0.00 N ATOM 1595 CA ILE A 105 -10.756 1.638 12.812 1.00 0.00 C ATOM 1596 C ILE A 105 -11.051 0.134 12.872 1.00 0.00 C ATOM 1597 O ILE A 105 -12.034 -0.262 13.510 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.655 2.329 11.758 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.335 1.924 10.293 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -11.645 3.856 11.959 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.336 2.827 9.562 1.00 0.00 C ATOM 0 H ILE A 105 -9.139 1.854 11.530 1.00 0.00 H new ATOM 0 HA ILE A 105 -10.979 2.048 13.797 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.669 1.966 11.926 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.946 0.906 10.293 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.266 1.909 9.727 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.282 4.326 11.210 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -12.019 4.094 12.955 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -10.626 4.230 11.855 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.184 2.456 8.549 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -10.727 3.844 9.521 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.386 2.825 10.096 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.230 -0.698 12.225 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.376 -2.141 12.132 1.00 0.00 C ATOM 1615 C ALA A 106 -9.022 -2.728 11.754 1.00 0.00 C ATOM 1616 O ALA A 106 -8.061 -1.983 11.567 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.457 -2.505 11.101 1.00 0.00 C ATOM 0 H ALA A 106 -9.406 -0.359 11.729 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.696 -2.556 13.088 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.554 -3.589 11.043 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.410 -2.071 11.404 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.174 -2.113 10.124 1.00 0.00 H new ATOM 1623 N TYR A 107 -8.941 -4.050 11.624 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.794 -4.758 11.062 1.00 0.00 C ATOM 1625 C TYR A 107 -8.309 -5.668 9.937 1.00 0.00 C ATOM 1626 O TYR A 107 -9.515 -5.931 9.834 1.00 0.00 O ATOM 1627 CB TYR A 107 -7.045 -5.524 12.168 1.00 0.00 C ATOM 1628 CG TYR A 107 -5.966 -4.731 12.896 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.284 -3.567 13.625 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.628 -5.172 12.866 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -5.275 -2.836 14.272 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.622 -4.444 13.525 1.00 0.00 C ATOM 1633 CZ TYR A 107 -3.934 -3.266 14.231 1.00 0.00 C ATOM 1634 OH TYR A 107 -2.965 -2.532 14.847 1.00 0.00 O ATOM 0 H TYR A 107 -9.692 -4.675 11.915 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.068 -4.065 10.638 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.772 -5.873 12.901 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.586 -6.409 11.727 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.310 -3.236 13.686 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.373 -6.076 12.333 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.530 -1.933 14.807 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.600 -4.791 13.490 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.096 -2.968 14.724 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.425 -6.152 9.063 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.772 -7.047 7.963 1.00 0.00 C ATOM 1646 C ARG A 108 -6.682 -8.095 7.782 1.00 0.00 C ATOM 1647 O ARG A 108 -5.499 -7.771 7.867 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.993 -6.232 6.679 1.00 0.00 C ATOM 1649 CG ARG A 108 -9.140 -6.804 5.837 1.00 0.00 C ATOM 1650 CD ARG A 108 -10.512 -6.478 6.446 1.00 0.00 C ATOM 1651 NE ARG A 108 -11.611 -7.109 5.698 1.00 0.00 N ATOM 1652 CZ ARG A 108 -12.190 -6.642 4.585 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -11.906 -5.434 4.112 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -13.032 -7.404 3.903 1.00 0.00 N ATOM 0 H ARG A 108 -6.431 -5.928 9.102 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.701 -7.569 8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.213 -5.196 6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.076 -6.225 6.089 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.086 -6.400 4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -9.026 -7.885 5.755 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.538 -6.815 7.482 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.656 -5.398 6.459 1.00 0.00 H new ATOM 0 HE ARG A 108 -11.968 -7.991 6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.234 -4.841 4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.360 -5.099 3.262 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -13.241 -8.349 4.226 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.472 -7.046 3.055 1.00 0.00 H new ATOM 1668 N ASN A 109 -7.071 -9.340 7.517 1.00 0.00 N ATOM 1669 CA ASN A 109 -6.187 -10.446 7.194 1.00 0.00 C ATOM 1670 C ASN A 109 -5.936 -10.505 5.688 1.00 0.00 C ATOM 1671 O ASN A 109 -6.850 -10.267 4.892 1.00 0.00 O ATOM 1672 CB ASN A 109 -6.837 -11.756 7.655 1.00 0.00 C ATOM 1673 CG ASN A 109 -8.119 -12.177 6.937 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -9.039 -11.382 6.757 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -8.226 -13.427 6.534 1.00 0.00 N ATOM 0 H ASN A 109 -8.054 -9.612 7.523 1.00 0.00 H new ATOM 0 HA ASN A 109 -5.233 -10.302 7.702 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.106 -12.556 7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.056 -11.671 8.719 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.077 -13.742 6.069 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.458 -14.080 6.688 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.715 -10.860 5.299 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.244 -11.016 3.929 1.00 0.00 C ATOM 1684 C VAL A 110 -3.295 -12.219 3.889 1.00 0.00 C ATOM 1685 O VAL A 110 -2.927 -12.751 4.933 1.00 0.00 O ATOM 1686 CB VAL A 110 -3.584 -9.713 3.424 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -4.622 -8.602 3.199 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -2.487 -9.186 4.363 1.00 0.00 C ATOM 0 H VAL A 110 -3.981 -11.059 5.978 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.077 -11.206 3.252 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.118 -9.980 2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.120 -7.702 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -5.349 -8.929 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.133 -8.387 4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.064 -8.270 3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -2.916 -8.979 5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.702 -9.935 4.462 1.00 0.00 H new ATOM 1698 N LEU A 111 -2.884 -12.690 2.710 1.00 0.00 N ATOM 1699 CA LEU A 111 -1.740 -13.588 2.549 1.00 0.00 C ATOM 1700 C LEU A 111 -0.635 -12.849 1.782 1.00 0.00 C ATOM 1701 O LEU A 111 -0.925 -11.956 0.978 1.00 0.00 O ATOM 1702 CB LEU A 111 -2.198 -14.755 1.649 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.824 -16.015 2.247 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.846 -16.786 3.117 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -4.109 -15.756 3.018 1.00 0.00 C ATOM 0 H LEU A 111 -3.342 -12.455 1.830 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.382 -13.927 3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.918 -14.347 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.329 -15.073 1.073 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.085 -16.626 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.337 -17.672 3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.986 -17.087 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.512 -16.152 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.493 -16.697 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.907 -15.073 3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.849 -15.312 2.353 1.00 0.00 H new ATOM 1717 N LEU A 112 0.603 -13.330 1.878 1.00 0.00 N ATOM 1718 CA LEU A 112 1.762 -12.920 1.092 1.00 0.00 C ATOM 1719 C LEU A 112 2.376 -14.118 0.397 1.00 0.00 C ATOM 1720 O LEU A 112 2.489 -15.189 0.972 1.00 0.00 O ATOM 1721 CB LEU A 112 2.830 -12.331 2.022 1.00 0.00 C ATOM 1722 CG LEU A 112 4.062 -11.780 1.254 1.00 0.00 C ATOM 1723 CD1 LEU A 112 3.718 -10.835 0.084 1.00 0.00 C ATOM 1724 CD2 LEU A 112 5.083 -11.158 2.212 1.00 0.00 C ATOM 0 H LEU A 112 0.837 -14.062 2.549 1.00 0.00 H new ATOM 0 HA LEU A 112 1.433 -12.184 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.388 -11.529 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.158 -13.099 2.722 1.00 0.00 H new ATOM 0 HG LEU A 112 4.520 -12.649 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.638 -10.499 -0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.103 -11.365 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.170 -9.972 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 112 5.933 -10.782 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.618 -10.336 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.425 -11.913 2.919 1.00 0.00 H new ATOM 1736 N ARG A 113 2.887 -13.929 -0.807 1.00 0.00 N ATOM 1737 CA ARG A 113 3.599 -14.945 -1.540 1.00 0.00 C ATOM 1738 C ARG A 113 4.778 -15.503 -0.769 1.00 0.00 C ATOM 1739 O ARG A 113 5.385 -14.840 0.071 1.00 0.00 O ATOM 1740 CB ARG A 113 4.051 -14.419 -2.900 1.00 0.00 C ATOM 1741 CG ARG A 113 2.908 -13.817 -3.722 1.00 0.00 C ATOM 1742 CD ARG A 113 2.906 -12.283 -3.713 1.00 0.00 C ATOM 1743 NE ARG A 113 3.699 -11.721 -4.812 1.00 0.00 N ATOM 1744 CZ ARG A 113 4.925 -11.187 -4.796 1.00 0.00 C ATOM 1745 NH1 ARG A 113 5.663 -11.113 -3.693 1.00 0.00 N ATOM 1746 NH2 ARG A 113 5.438 -10.746 -5.927 1.00 0.00 N ATOM 0 H ARG A 113 2.813 -13.043 -1.308 1.00 0.00 H new ATOM 0 HA ARG A 113 2.899 -15.767 -1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.822 -13.663 -2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 113 4.507 -15.233 -3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 113 2.984 -14.169 -4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.957 -14.178 -3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 113 1.880 -11.922 -3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 113 3.302 -11.926 -2.762 1.00 0.00 H new ATOM 0 HE ARG A 113 3.247 -11.741 -5.726 1.00 0.00 H new ATOM 0 HH11 ARG A 113 5.299 -11.472 -2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 113 6.594 -10.697 -3.729 1.00 0.00 H new ATOM 0 HH21 ARG A 113 4.902 -10.816 -6.792 1.00 0.00 H new ATOM 0 HH22 ARG A 113 6.371 -10.335 -5.938 1.00 0.00 H new