USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 560 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 17 ASN : amide:sc= -3.21 K(o=-6.4,f=-18!) USER MOD Set 1.2: B 17 ASN : amide:sc= -3.17! C(o=-6.4!,f=-18!) USER MOD Set 2.1: A 2 SER OG : rot -153:sc= 0.971 USER MOD Set 2.2: B 2 SER OG : rot 146:sc= 1.26 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.105 (180deg=0) USER MOD Single : A 3 MET CE :methyl 159:sc= -0.149 (180deg=-0.68) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= -0.0046 (180deg=-0.123) USER MOD Single : A 5 GLN : amide:sc= -1.26 K(o=-1.3,f=-6.2!) USER MOD Single : A 9 LYS NZ :NH3+ 164:sc= -0.0407 (180deg=-0.239) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= -0.218 (180deg=-0.653) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= 1.11 K(o=1.1,f=-0.038) USER MOD Single : A 28 LYS NZ :NH3+ 155:sc= 1.29 (180deg=-0.032) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= -0.0456 (180deg=-0.288) USER MOD Single : B 1 GLY N :NH3+ -116:sc= 0.107 (180deg=0) USER MOD Single : B 3 MET CE :methyl 157:sc= -0.127 (180deg=-0.659) USER MOD Single : B 4 LYS NZ :NH3+ 170:sc=-0.00501 (180deg=-0.128) USER MOD Single : B 5 GLN : amide:sc= -1.23 K(o=-1.2,f=-6.2!) USER MOD Single : B 9 LYS NZ :NH3+ 163:sc= -0.0425 (180deg=-0.279) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 162:sc= -0.174 (180deg=-0.604) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 22 ASN : amide:sc= 1.16 K(o=1.2,f=-0.02) USER MOD Single : B 28 LYS NZ :NH3+ 162:sc= 1.22 (180deg=-0.172) USER MOD Single : B 29 LYS NZ :NH3+ -164:sc= -0.0581 (180deg=-0.306) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.258 -4.771 -5.935 1.00 0.00 N ATOM 2 CA GLY A 1 -24.209 -4.106 -4.612 1.00 0.00 C ATOM 3 C GLY A 1 -22.944 -3.295 -4.435 1.00 0.00 C ATOM 4 O GLY A 1 -22.109 -3.240 -5.336 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.045 -4.380 -6.491 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.363 -4.607 -6.439 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.400 -5.793 -5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.076 -3.455 -4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.271 -4.858 -3.825 1.00 0.00 H new ATOM 10 N SER A 2 -22.801 -2.660 -3.283 1.00 0.00 N ATOM 11 CA SER A 2 -21.628 -1.851 -2.997 1.00 0.00 C ATOM 12 C SER A 2 -20.749 -2.499 -1.932 1.00 0.00 C ATOM 13 O SER A 2 -19.526 -2.435 -2.009 1.00 0.00 O ATOM 14 CB SER A 2 -22.067 -0.459 -2.545 1.00 0.00 C ATOM 15 OG SER A 2 -23.183 -0.550 -1.676 1.00 0.00 O ATOM 0 H SER A 2 -23.486 -2.690 -2.528 1.00 0.00 H new ATOM 0 HA SER A 2 -21.036 -1.770 -3.908 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.243 0.042 -2.037 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.323 0.148 -3.413 1.00 0.00 H new ATOM 0 HG SER A 2 -23.709 0.275 -1.732 1.00 0.00 H new ATOM 21 N MET A 3 -21.379 -3.150 -0.961 1.00 0.00 N ATOM 22 CA MET A 3 -20.675 -3.645 0.219 1.00 0.00 C ATOM 23 C MET A 3 -19.542 -4.606 -0.134 1.00 0.00 C ATOM 24 O MET A 3 -18.399 -4.391 0.260 1.00 0.00 O ATOM 25 CB MET A 3 -21.651 -4.316 1.184 1.00 0.00 C ATOM 26 CG MET A 3 -22.729 -3.377 1.703 1.00 0.00 C ATOM 27 SD MET A 3 -23.750 -4.121 2.989 1.00 0.00 S ATOM 28 CE MET A 3 -22.544 -4.298 4.304 1.00 0.00 C ATOM 0 H MET A 3 -22.379 -3.348 -0.967 1.00 0.00 H new ATOM 0 HA MET A 3 -20.225 -2.778 0.703 1.00 0.00 H new ATOM 0 HB2 MET A 3 -22.125 -5.159 0.682 1.00 0.00 H new ATOM 0 HB3 MET A 3 -21.094 -4.721 2.029 1.00 0.00 H new ATOM 0 HG2 MET A 3 -22.259 -2.475 2.096 1.00 0.00 H new ATOM 0 HG3 MET A 3 -23.366 -3.070 0.873 1.00 0.00 H new ATOM 0 HE1 MET A 3 -23.059 -4.384 5.261 1.00 0.00 H new ATOM 0 HE2 MET A 3 -21.947 -5.193 4.132 1.00 0.00 H new ATOM 0 HE3 MET A 3 -21.892 -3.425 4.320 1.00 0.00 H new ATOM 38 N LYS A 4 -19.848 -5.641 -0.897 1.00 0.00 N ATOM 39 CA LYS A 4 -18.869 -6.679 -1.207 1.00 0.00 C ATOM 40 C LYS A 4 -17.968 -6.259 -2.360 1.00 0.00 C ATOM 41 O LYS A 4 -16.944 -6.879 -2.615 1.00 0.00 O ATOM 42 CB LYS A 4 -19.572 -7.990 -1.566 1.00 0.00 C ATOM 43 CG LYS A 4 -20.463 -8.538 -0.464 1.00 0.00 C ATOM 44 CD LYS A 4 -21.052 -9.884 -0.852 1.00 0.00 C ATOM 45 CE LYS A 4 -21.933 -10.452 0.249 1.00 0.00 C ATOM 46 NZ LYS A 4 -23.117 -9.593 0.519 1.00 0.00 N ATOM 0 H LYS A 4 -20.766 -5.789 -1.316 1.00 0.00 H new ATOM 0 HA LYS A 4 -18.256 -6.827 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -20.174 -7.834 -2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.819 -8.737 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.887 -8.642 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -21.267 -7.832 -0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -21.636 -9.775 -1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.246 -10.584 -1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -22.267 -11.450 -0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -21.347 -10.559 1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -23.774 -10.096 1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -22.809 -8.710 0.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -23.597 -9.372 -0.377 1.00 0.00 H new ATOM 60 N GLN A 5 -18.341 -5.188 -3.031 1.00 0.00 N ATOM 61 CA GLN A 5 -17.645 -4.759 -4.231 1.00 0.00 C ATOM 62 C GLN A 5 -16.620 -3.700 -3.880 1.00 0.00 C ATOM 63 O GLN A 5 -15.475 -3.750 -4.331 1.00 0.00 O ATOM 64 CB GLN A 5 -18.638 -4.212 -5.258 1.00 0.00 C ATOM 65 CG GLN A 5 -19.722 -5.204 -5.654 1.00 0.00 C ATOM 66 CD GLN A 5 -19.194 -6.397 -6.429 1.00 0.00 C ATOM 67 OE1 GLN A 5 -18.056 -6.828 -6.247 1.00 0.00 O ATOM 68 NE2 GLN A 5 -20.022 -6.941 -7.303 1.00 0.00 N ATOM 0 H GLN A 5 -19.127 -4.595 -2.765 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.135 -5.618 -4.667 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.109 -3.316 -4.853 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -18.092 -3.909 -6.151 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -20.226 -5.559 -4.755 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -20.471 -4.691 -6.257 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -20.958 -6.556 -7.426 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -19.725 -7.746 -7.854 1.00 0.00 H new ATOM 77 N LEU A 6 -17.035 -2.751 -3.055 1.00 0.00 N ATOM 78 CA LEU A 6 -16.135 -1.721 -2.580 1.00 0.00 C ATOM 79 C LEU A 6 -15.167 -2.330 -1.586 1.00 0.00 C ATOM 80 O LEU A 6 -13.990 -1.987 -1.575 1.00 0.00 O ATOM 81 CB LEU A 6 -16.910 -0.558 -1.952 1.00 0.00 C ATOM 82 CG LEU A 6 -17.976 0.077 -2.855 1.00 0.00 C ATOM 83 CD1 LEU A 6 -18.475 1.383 -2.269 1.00 0.00 C ATOM 84 CD2 LEU A 6 -17.441 0.296 -4.263 1.00 0.00 C ATOM 0 H LEU A 6 -17.989 -2.676 -2.703 1.00 0.00 H new ATOM 0 HA LEU A 6 -15.576 -1.316 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -17.392 -0.913 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.200 0.214 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.816 -0.616 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -19.230 1.813 -2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -18.913 1.198 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -17.642 2.079 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -18.217 0.747 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -16.577 0.959 -4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -17.145 -0.661 -4.693 1.00 0.00 H new ATOM 96 N GLU A 7 -15.660 -3.267 -0.773 1.00 0.00 N ATOM 97 CA GLU A 7 -14.786 -4.019 0.117 1.00 0.00 C ATOM 98 C GLU A 7 -13.781 -4.832 -0.697 1.00 0.00 C ATOM 99 O GLU A 7 -12.620 -4.966 -0.307 1.00 0.00 O ATOM 100 CB GLU A 7 -15.586 -4.944 1.034 1.00 0.00 C ATOM 101 CG GLU A 7 -14.730 -5.655 2.071 1.00 0.00 C ATOM 102 CD GLU A 7 -15.519 -6.631 2.917 1.00 0.00 C ATOM 103 OE1 GLU A 7 -15.422 -7.847 2.662 1.00 0.00 O ATOM 104 OE2 GLU A 7 -16.232 -6.179 3.835 1.00 0.00 O ATOM 0 H GLU A 7 -16.647 -3.518 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.251 -3.305 0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.354 -4.362 1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -16.101 -5.688 0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.925 -6.188 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.264 -4.914 2.720 1.00 0.00 H new ATOM 111 N ASP A 8 -14.230 -5.370 -1.835 1.00 0.00 N ATOM 112 CA ASP A 8 -13.322 -6.087 -2.733 1.00 0.00 C ATOM 113 C ASP A 8 -12.235 -5.161 -3.261 1.00 0.00 C ATOM 114 O ASP A 8 -11.106 -5.585 -3.494 1.00 0.00 O ATOM 115 CB ASP A 8 -14.067 -6.722 -3.909 1.00 0.00 C ATOM 116 CG ASP A 8 -14.453 -8.165 -3.644 1.00 0.00 C ATOM 117 OD1 ASP A 8 -13.691 -8.862 -2.942 1.00 0.00 O ATOM 118 OD2 ASP A 8 -15.504 -8.605 -4.152 1.00 0.00 O ATOM 0 H ASP A 8 -15.199 -5.324 -2.152 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.864 -6.884 -2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.966 -6.142 -4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.440 -6.675 -4.799 1.00 0.00 H new ATOM 123 N LYS A 9 -12.579 -3.893 -3.445 1.00 0.00 N ATOM 124 CA LYS A 9 -11.620 -2.902 -3.913 1.00 0.00 C ATOM 125 C LYS A 9 -10.592 -2.609 -2.823 1.00 0.00 C ATOM 126 O LYS A 9 -9.393 -2.513 -3.098 1.00 0.00 O ATOM 127 CB LYS A 9 -12.337 -1.613 -4.335 1.00 0.00 C ATOM 128 CG LYS A 9 -11.404 -0.534 -4.873 1.00 0.00 C ATOM 129 CD LYS A 9 -10.743 -0.944 -6.183 1.00 0.00 C ATOM 130 CE LYS A 9 -11.735 -0.963 -7.336 1.00 0.00 C ATOM 131 NZ LYS A 9 -12.265 0.393 -7.641 1.00 0.00 N ATOM 0 H LYS A 9 -13.516 -3.527 -3.277 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.102 -3.305 -4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.076 -1.854 -5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.881 -1.215 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.966 0.387 -5.025 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.634 -0.319 -4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.932 -0.253 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.297 -1.932 -6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.251 -1.370 -8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.563 -1.628 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.713 0.388 -8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.968 0.661 -6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.485 1.080 -7.634 1.00 0.00 H new ATOM 145 N VAL A 10 -11.067 -2.490 -1.584 1.00 0.00 N ATOM 146 CA VAL A 10 -10.189 -2.245 -0.443 1.00 0.00 C ATOM 147 C VAL A 10 -9.186 -3.389 -0.297 1.00 0.00 C ATOM 148 O VAL A 10 -7.980 -3.172 -0.178 1.00 0.00 O ATOM 149 CB VAL A 10 -10.973 -2.128 0.886 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.095 -1.541 1.968 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.232 -1.296 0.740 1.00 0.00 C ATOM 0 H VAL A 10 -12.056 -2.560 -1.346 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.681 -1.300 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.274 -3.137 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.662 -1.466 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.229 -2.185 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.760 -0.549 1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.747 -1.244 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.968 -0.290 0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.888 -1.756 0.001 1.00 0.00 H new ATOM 161 N GLU A 11 -9.698 -4.613 -0.329 1.00 0.00 N ATOM 162 CA GLU A 11 -8.870 -5.803 -0.167 1.00 0.00 C ATOM 163 C GLU A 11 -7.927 -5.976 -1.362 1.00 0.00 C ATOM 164 O GLU A 11 -6.855 -6.566 -1.235 1.00 0.00 O ATOM 165 CB GLU A 11 -9.766 -7.039 -0.006 1.00 0.00 C ATOM 166 CG GLU A 11 -9.012 -8.347 0.200 1.00 0.00 C ATOM 167 CD GLU A 11 -8.190 -8.364 1.474 1.00 0.00 C ATOM 168 OE1 GLU A 11 -8.788 -8.447 2.566 1.00 0.00 O ATOM 169 OE2 GLU A 11 -6.946 -8.307 1.376 1.00 0.00 O ATOM 0 H GLU A 11 -10.690 -4.809 -0.467 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.260 -5.686 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.431 -6.881 0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.395 -7.133 -0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.725 -9.171 0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.354 -8.519 -0.652 1.00 0.00 H new ATOM 176 N GLU A 12 -8.328 -5.454 -2.514 1.00 0.00 N ATOM 177 CA GLU A 12 -7.499 -5.502 -3.708 1.00 0.00 C ATOM 178 C GLU A 12 -6.277 -4.616 -3.518 1.00 0.00 C ATOM 179 O GLU A 12 -5.175 -4.953 -3.958 1.00 0.00 O ATOM 180 CB GLU A 12 -8.293 -5.061 -4.936 1.00 0.00 C ATOM 181 CG GLU A 12 -7.520 -5.186 -6.238 1.00 0.00 C ATOM 182 CD GLU A 12 -8.353 -4.818 -7.445 1.00 0.00 C ATOM 183 OE1 GLU A 12 -8.872 -5.737 -8.110 1.00 0.00 O ATOM 184 OE2 GLU A 12 -8.491 -3.611 -7.721 1.00 0.00 O ATOM 0 H GLU A 12 -9.227 -4.991 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.173 -6.530 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.202 -5.659 -5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.602 -4.024 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.641 -4.543 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.161 -6.210 -6.347 1.00 0.00 H new ATOM 191 N LEU A 13 -6.476 -3.483 -2.856 1.00 0.00 N ATOM 192 CA LEU A 13 -5.359 -2.656 -2.441 1.00 0.00 C ATOM 193 C LEU A 13 -4.525 -3.415 -1.432 1.00 0.00 C ATOM 194 O LEU A 13 -3.316 -3.475 -1.552 1.00 0.00 O ATOM 195 CB LEU A 13 -5.823 -1.332 -1.837 1.00 0.00 C ATOM 196 CG LEU A 13 -6.266 -0.269 -2.839 1.00 0.00 C ATOM 197 CD1 LEU A 13 -6.716 0.976 -2.106 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.135 0.070 -3.799 1.00 0.00 C ATOM 0 H LEU A 13 -7.394 -3.121 -2.598 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.764 -2.423 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.652 -1.534 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.011 -0.923 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.101 -0.665 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.030 1.730 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.552 0.730 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.890 1.366 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.472 0.829 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.282 0.450 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.840 -0.826 -4.344 1.00 0.00 H new ATOM 210 N LEU A 14 -5.192 -4.034 -0.465 1.00 0.00 N ATOM 211 CA LEU A 14 -4.514 -4.813 0.568 1.00 0.00 C ATOM 212 C LEU A 14 -3.663 -5.925 -0.048 1.00 0.00 C ATOM 213 O LEU A 14 -2.729 -6.428 0.574 1.00 0.00 O ATOM 214 CB LEU A 14 -5.536 -5.418 1.527 1.00 0.00 C ATOM 215 CG LEU A 14 -5.206 -5.256 3.010 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.151 -3.784 3.381 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.234 -5.980 3.863 1.00 0.00 C ATOM 0 H LEU A 14 -6.208 -4.012 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.855 -4.140 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.507 -4.962 1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.634 -6.481 1.306 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.227 -5.698 3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.915 -3.684 4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.381 -3.288 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.117 -3.322 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.985 -5.855 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.223 -5.564 3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.232 -7.041 3.613 1.00 0.00 H new ATOM 229 N SER A 15 -4.003 -6.304 -1.271 1.00 0.00 N ATOM 230 CA SER A 15 -3.240 -7.292 -2.015 1.00 0.00 C ATOM 231 C SER A 15 -1.904 -6.698 -2.458 1.00 0.00 C ATOM 232 O SER A 15 -0.853 -7.316 -2.282 1.00 0.00 O ATOM 233 CB SER A 15 -4.049 -7.774 -3.225 1.00 0.00 C ATOM 234 OG SER A 15 -3.354 -8.773 -3.953 1.00 0.00 O ATOM 0 H SER A 15 -4.812 -5.937 -1.773 1.00 0.00 H new ATOM 0 HA SER A 15 -3.038 -8.148 -1.371 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.008 -8.169 -2.889 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.264 -6.929 -3.879 1.00 0.00 H new ATOM 0 HG SER A 15 -3.898 -9.059 -4.716 1.00 0.00 H new ATOM 240 N LYS A 16 -1.940 -5.491 -3.016 1.00 0.00 N ATOM 241 CA LYS A 16 -0.705 -4.819 -3.411 1.00 0.00 C ATOM 242 C LYS A 16 -0.002 -4.230 -2.198 1.00 0.00 C ATOM 243 O LYS A 16 1.212 -4.174 -2.170 1.00 0.00 O ATOM 244 CB LYS A 16 -0.905 -3.757 -4.516 1.00 0.00 C ATOM 245 CG LYS A 16 -1.958 -2.675 -4.252 1.00 0.00 C ATOM 246 CD LYS A 16 -1.412 -1.479 -3.477 1.00 0.00 C ATOM 247 CE LYS A 16 -0.460 -0.624 -4.307 1.00 0.00 C ATOM 248 NZ LYS A 16 -0.991 -0.353 -5.670 1.00 0.00 N ATOM 0 H LYS A 16 -2.794 -4.966 -3.203 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.066 -5.585 -3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.052 -3.265 -4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.172 -4.273 -5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.361 -2.329 -5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.787 -3.112 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.243 -0.862 -3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.892 -1.834 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.282 0.321 -3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.503 -1.129 -4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.486 0.456 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.853 -1.192 -6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.006 -0.134 -5.610 1.00 0.00 H new ATOM 262 N ASN A 17 -0.766 -3.810 -1.194 1.00 0.00 N ATOM 263 CA ASN A 17 -0.196 -3.393 0.089 1.00 0.00 C ATOM 264 C ASN A 17 0.595 -4.540 0.675 1.00 0.00 C ATOM 265 O ASN A 17 1.633 -4.331 1.281 1.00 0.00 O ATOM 266 CB ASN A 17 -1.289 -2.997 1.090 1.00 0.00 C ATOM 267 CG ASN A 17 -2.012 -1.728 0.718 1.00 0.00 C ATOM 268 OD1 ASN A 17 -2.080 -1.356 -0.446 1.00 0.00 O ATOM 269 ND2 ASN A 17 -2.586 -1.068 1.706 1.00 0.00 N ATOM 0 H ASN A 17 -1.783 -3.748 -1.241 1.00 0.00 H new ATOM 0 HA ASN A 17 0.441 -2.527 -0.092 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.012 -3.809 1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.841 -2.875 2.076 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.110 -0.214 1.513 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.506 -1.411 2.663 1.00 0.00 H new ATOM 276 N TYR A 18 0.092 -5.757 0.494 1.00 0.00 N ATOM 277 CA TYR A 18 0.791 -6.940 0.977 1.00 0.00 C ATOM 278 C TYR A 18 2.161 -7.048 0.312 1.00 0.00 C ATOM 279 O TYR A 18 3.183 -7.183 0.987 1.00 0.00 O ATOM 280 CB TYR A 18 -0.031 -8.203 0.707 1.00 0.00 C ATOM 281 CG TYR A 18 0.518 -9.439 1.383 1.00 0.00 C ATOM 282 CD1 TYR A 18 0.280 -9.678 2.730 1.00 0.00 C ATOM 283 CD2 TYR A 18 1.274 -10.367 0.677 1.00 0.00 C ATOM 284 CE1 TYR A 18 0.779 -10.804 3.354 1.00 0.00 C ATOM 285 CE2 TYR A 18 1.775 -11.496 1.295 1.00 0.00 C ATOM 286 CZ TYR A 18 1.526 -11.710 2.632 1.00 0.00 C ATOM 287 OH TYR A 18 2.028 -12.834 3.252 1.00 0.00 O ATOM 0 H TYR A 18 -0.791 -5.948 0.020 1.00 0.00 H new ATOM 0 HA TYR A 18 0.927 -6.845 2.054 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.055 -8.039 1.044 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.073 -8.376 -0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.305 -8.971 3.299 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.473 -10.203 -0.372 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.585 -10.974 4.403 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.360 -12.208 0.732 1.00 0.00 H new ATOM 0 HH TYR A 18 2.530 -13.369 2.603 1.00 0.00 H new ATOM 297 N HIS A 19 2.175 -6.967 -1.012 1.00 0.00 N ATOM 298 CA HIS A 19 3.417 -7.038 -1.774 1.00 0.00 C ATOM 299 C HIS A 19 4.291 -5.816 -1.499 1.00 0.00 C ATOM 300 O HIS A 19 5.487 -5.940 -1.260 1.00 0.00 O ATOM 301 CB HIS A 19 3.112 -7.136 -3.273 1.00 0.00 C ATOM 302 CG HIS A 19 4.333 -7.244 -4.141 1.00 0.00 C ATOM 303 ND1 HIS A 19 4.749 -6.239 -4.988 1.00 0.00 N ATOM 304 CD2 HIS A 19 5.220 -8.254 -4.298 1.00 0.00 C ATOM 305 CE1 HIS A 19 5.838 -6.625 -5.625 1.00 0.00 C ATOM 306 NE2 HIS A 19 6.145 -7.843 -5.223 1.00 0.00 N ATOM 0 H HIS A 19 1.338 -6.852 -1.583 1.00 0.00 H new ATOM 0 HA HIS A 19 3.960 -7.930 -1.461 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.477 -8.005 -3.448 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.541 -6.258 -3.575 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.203 -9.207 -3.789 1.00 0.00 H new ATOM 0 HE1 HIS A 19 6.385 -6.043 -6.352 1.00 0.00 H new ATOM 0 HE2 HIS A 19 6.942 -8.391 -5.548 1.00 0.00 H new ATOM 315 N LEU A 20 3.674 -4.644 -1.534 1.00 0.00 N ATOM 316 CA LEU A 20 4.353 -3.384 -1.356 1.00 0.00 C ATOM 317 C LEU A 20 4.919 -3.230 0.076 1.00 0.00 C ATOM 318 O LEU A 20 6.008 -2.683 0.257 1.00 0.00 O ATOM 319 CB LEU A 20 3.360 -2.277 -1.760 1.00 0.00 C ATOM 320 CG LEU A 20 3.699 -0.861 -1.362 1.00 0.00 C ATOM 321 CD1 LEU A 20 5.133 -0.535 -1.683 1.00 0.00 C ATOM 322 CD2 LEU A 20 2.806 0.134 -2.064 1.00 0.00 C ATOM 0 H LEU A 20 2.671 -4.548 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 20 5.236 -3.318 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.248 -2.305 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.388 -2.524 -1.332 1.00 0.00 H new ATOM 0 HG LEU A 20 3.543 -0.789 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.348 0.491 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.791 -1.215 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.300 -0.645 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.075 1.145 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.931 0.038 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.766 -0.061 -1.800 1.00 0.00 H new ATOM 334 N GLU A 21 4.218 -3.752 1.083 1.00 0.00 N ATOM 335 CA GLU A 21 4.732 -3.732 2.456 1.00 0.00 C ATOM 336 C GLU A 21 5.962 -4.622 2.581 1.00 0.00 C ATOM 337 O GLU A 21 6.956 -4.242 3.206 1.00 0.00 O ATOM 338 CB GLU A 21 3.665 -4.184 3.459 1.00 0.00 C ATOM 339 CG GLU A 21 2.710 -3.087 3.889 1.00 0.00 C ATOM 340 CD GLU A 21 1.615 -3.595 4.807 1.00 0.00 C ATOM 341 OE1 GLU A 21 0.484 -3.806 4.320 1.00 0.00 O ATOM 342 OE2 GLU A 21 1.889 -3.786 6.010 1.00 0.00 O ATOM 0 H GLU A 21 3.303 -4.190 0.978 1.00 0.00 H new ATOM 0 HA GLU A 21 5.008 -2.703 2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.090 -4.998 3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.160 -4.586 4.343 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.270 -2.301 4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.258 -2.636 3.005 1.00 0.00 H new ATOM 349 N ASN A 22 5.892 -5.807 1.980 1.00 0.00 N ATOM 350 CA ASN A 22 7.019 -6.733 1.984 1.00 0.00 C ATOM 351 C ASN A 22 8.146 -6.202 1.113 1.00 0.00 C ATOM 352 O ASN A 22 9.322 -6.462 1.371 1.00 0.00 O ATOM 353 CB ASN A 22 6.594 -8.126 1.504 1.00 0.00 C ATOM 354 CG ASN A 22 5.902 -8.933 2.587 1.00 0.00 C ATOM 355 OD1 ASN A 22 6.551 -9.633 3.364 1.00 0.00 O ATOM 356 ND2 ASN A 22 4.583 -8.852 2.645 1.00 0.00 N ATOM 0 H ASN A 22 5.068 -6.147 1.485 1.00 0.00 H new ATOM 0 HA ASN A 22 7.375 -6.820 3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.925 -8.023 0.650 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.473 -8.670 1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.070 -9.380 3.351 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.079 -8.261 1.984 1.00 0.00 H new ATOM 363 N GLU A 23 7.779 -5.451 0.083 1.00 0.00 N ATOM 364 CA GLU A 23 8.750 -4.821 -0.795 1.00 0.00 C ATOM 365 C GLU A 23 9.602 -3.831 -0.009 1.00 0.00 C ATOM 366 O GLU A 23 10.826 -3.818 -0.138 1.00 0.00 O ATOM 367 CB GLU A 23 8.038 -4.125 -1.958 1.00 0.00 C ATOM 368 CG GLU A 23 8.976 -3.511 -2.982 1.00 0.00 C ATOM 369 CD GLU A 23 8.249 -3.072 -4.237 1.00 0.00 C ATOM 370 OE1 GLU A 23 7.661 -1.970 -4.230 1.00 0.00 O ATOM 371 OE2 GLU A 23 8.266 -3.833 -5.226 1.00 0.00 O ATOM 0 H GLU A 23 6.807 -5.264 -0.164 1.00 0.00 H new ATOM 0 HA GLU A 23 9.407 -5.587 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.393 -4.847 -2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.392 -3.343 -1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.482 -2.653 -2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.747 -4.235 -3.246 1.00 0.00 H new ATOM 378 N VAL A 24 8.953 -3.016 0.822 1.00 0.00 N ATOM 379 CA VAL A 24 9.677 -2.101 1.694 1.00 0.00 C ATOM 380 C VAL A 24 10.595 -2.875 2.637 1.00 0.00 C ATOM 381 O VAL A 24 11.764 -2.533 2.795 1.00 0.00 O ATOM 382 CB VAL A 24 8.733 -1.203 2.538 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.485 -0.565 3.692 1.00 0.00 C ATOM 384 CG2 VAL A 24 8.150 -0.111 1.690 1.00 0.00 C ATOM 0 H VAL A 24 7.938 -2.973 0.907 1.00 0.00 H new ATOM 0 HA VAL A 24 10.262 -1.454 1.040 1.00 0.00 H new ATOM 0 HB VAL A 24 7.936 -1.838 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.803 0.060 4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.895 -1.344 4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.297 0.048 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.491 0.509 2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.954 0.503 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.581 -0.551 0.871 1.00 0.00 H new ATOM 394 N ALA A 25 10.052 -3.930 3.243 1.00 0.00 N ATOM 395 CA ALA A 25 10.787 -4.734 4.219 1.00 0.00 C ATOM 396 C ALA A 25 12.098 -5.260 3.642 1.00 0.00 C ATOM 397 O ALA A 25 13.140 -5.210 4.301 1.00 0.00 O ATOM 398 CB ALA A 25 9.922 -5.890 4.703 1.00 0.00 C ATOM 0 H ALA A 25 9.098 -4.250 3.073 1.00 0.00 H new ATOM 0 HA ALA A 25 11.032 -4.091 5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.479 -6.482 5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.019 -5.498 5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.648 -6.519 3.856 1.00 0.00 H new ATOM 404 N ARG A 26 12.038 -5.763 2.415 1.00 0.00 N ATOM 405 CA ARG A 26 13.224 -6.263 1.733 1.00 0.00 C ATOM 406 C ARG A 26 14.246 -5.151 1.552 1.00 0.00 C ATOM 407 O ARG A 26 15.385 -5.266 2.004 1.00 0.00 O ATOM 408 CB ARG A 26 12.849 -6.858 0.374 1.00 0.00 C ATOM 409 CG ARG A 26 11.914 -8.052 0.476 1.00 0.00 C ATOM 410 CD ARG A 26 11.548 -8.598 -0.894 1.00 0.00 C ATOM 411 NE ARG A 26 10.605 -9.709 -0.797 1.00 0.00 N ATOM 412 CZ ARG A 26 10.229 -10.464 -1.827 1.00 0.00 C ATOM 413 NH1 ARG A 26 10.721 -10.238 -3.038 1.00 0.00 N ATOM 414 NH2 ARG A 26 9.357 -11.447 -1.644 1.00 0.00 N ATOM 0 H ARG A 26 11.178 -5.835 1.871 1.00 0.00 H new ATOM 0 HA ARG A 26 13.667 -7.046 2.349 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.377 -6.087 -0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.758 -7.161 -0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.389 -8.836 1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.007 -7.760 1.005 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.113 -7.802 -1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.451 -8.930 -1.407 1.00 0.00 H new ATOM 0 HE ARG A 26 10.209 -9.920 0.119 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.391 -9.483 -3.184 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.429 -10.820 -3.824 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.975 -11.624 -0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.068 -12.026 -2.433 1.00 0.00 H new ATOM 428 N LEU A 27 13.816 -4.063 0.921 1.00 0.00 N ATOM 429 CA LEU A 27 14.693 -2.927 0.636 1.00 0.00 C ATOM 430 C LEU A 27 15.290 -2.359 1.921 1.00 0.00 C ATOM 431 O LEU A 27 16.477 -2.046 1.982 1.00 0.00 O ATOM 432 CB LEU A 27 13.919 -1.815 -0.082 1.00 0.00 C ATOM 433 CG LEU A 27 13.667 -1.987 -1.590 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.354 -3.429 -1.966 1.00 0.00 C ATOM 435 CD2 LEU A 27 12.528 -1.081 -2.021 1.00 0.00 C ATOM 0 H LEU A 27 12.858 -3.942 0.594 1.00 0.00 H new ATOM 0 HA LEU A 27 15.497 -3.289 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.953 -1.705 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.459 -0.880 0.065 1.00 0.00 H new ATOM 0 HG LEU A 27 14.584 -1.711 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.184 -3.496 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.194 -4.067 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.460 -3.757 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.350 -1.203 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.625 -1.345 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.790 -0.043 -1.813 1.00 0.00 H new ATOM 447 N LYS A 28 14.452 -2.243 2.939 1.00 0.00 N ATOM 448 CA LYS A 28 14.839 -1.651 4.212 1.00 0.00 C ATOM 449 C LYS A 28 15.971 -2.447 4.861 1.00 0.00 C ATOM 450 O LYS A 28 16.919 -1.872 5.406 1.00 0.00 O ATOM 451 CB LYS A 28 13.618 -1.597 5.134 1.00 0.00 C ATOM 452 CG LYS A 28 13.729 -0.593 6.267 1.00 0.00 C ATOM 453 CD LYS A 28 14.149 0.776 5.756 1.00 0.00 C ATOM 454 CE LYS A 28 13.641 1.895 6.647 1.00 0.00 C ATOM 455 NZ LYS A 28 13.893 1.629 8.089 1.00 0.00 N ATOM 0 H LYS A 28 13.482 -2.557 2.907 1.00 0.00 H new ATOM 0 HA LYS A 28 15.205 -0.639 4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.738 -1.357 4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.455 -2.588 5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.770 -0.513 6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.454 -0.948 7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.236 0.824 5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.770 0.918 4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.124 2.830 6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.571 2.027 6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.935 2.530 8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.123 1.045 8.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.797 1.125 8.196 1.00 0.00 H new ATOM 469 N LYS A 29 15.879 -3.767 4.771 1.00 0.00 N ATOM 470 CA LYS A 29 16.896 -4.651 5.325 1.00 0.00 C ATOM 471 C LYS A 29 18.152 -4.640 4.452 1.00 0.00 C ATOM 472 O LYS A 29 19.253 -4.955 4.912 1.00 0.00 O ATOM 473 CB LYS A 29 16.333 -6.071 5.442 1.00 0.00 C ATOM 474 CG LYS A 29 17.323 -7.084 5.992 1.00 0.00 C ATOM 475 CD LYS A 29 16.689 -8.453 6.147 1.00 0.00 C ATOM 476 CE LYS A 29 17.713 -9.495 6.571 1.00 0.00 C ATOM 477 NZ LYS A 29 18.761 -9.701 5.534 1.00 0.00 N ATOM 0 H LYS A 29 15.105 -4.252 4.316 1.00 0.00 H new ATOM 0 HA LYS A 29 17.173 -4.296 6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.454 -6.051 6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.000 -6.401 4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.183 -7.153 5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.696 -6.743 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.890 -8.404 6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.232 -8.753 5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 29 18.182 -9.183 7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.208 -10.440 6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.282 -10.578 5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.314 -9.773 4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.420 -8.897 5.542 1.00 0.00 H new ATOM 491 N LEU A 30 17.980 -4.254 3.198 1.00 0.00 N ATOM 492 CA LEU A 30 19.080 -4.214 2.241 1.00 0.00 C ATOM 493 C LEU A 30 19.861 -2.917 2.388 1.00 0.00 C ATOM 494 O LEU A 30 21.072 -2.878 2.152 1.00 0.00 O ATOM 495 CB LEU A 30 18.558 -4.369 0.816 1.00 0.00 C ATOM 496 CG LEU A 30 17.913 -5.722 0.505 1.00 0.00 C ATOM 497 CD1 LEU A 30 17.198 -5.663 -0.826 1.00 0.00 C ATOM 498 CD2 LEU A 30 18.951 -6.837 0.494 1.00 0.00 C ATOM 0 H LEU A 30 17.082 -3.961 2.814 1.00 0.00 H new ATOM 0 HA LEU A 30 19.751 -5.047 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 30 17.827 -3.583 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.385 -4.210 0.123 1.00 0.00 H new ATOM 0 HG LEU A 30 17.190 -5.941 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.743 -6.630 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.423 -4.898 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.912 -5.418 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.463 -7.786 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 30 19.703 -6.627 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 30 19.431 -6.897 1.471 1.00 0.00 H new ATOM 510 N VAL A 31 19.159 -1.856 2.771 1.00 0.00 N ATOM 511 CA VAL A 31 19.806 -0.606 3.142 1.00 0.00 C ATOM 512 C VAL A 31 20.464 -0.784 4.503 1.00 0.00 C ATOM 513 O VAL A 31 21.467 -0.145 4.825 1.00 0.00 O ATOM 514 CB VAL A 31 18.802 0.572 3.207 1.00 0.00 C ATOM 515 CG1 VAL A 31 19.510 1.876 3.545 1.00 0.00 C ATOM 516 CG2 VAL A 31 18.044 0.711 1.898 1.00 0.00 C ATOM 0 H VAL A 31 18.141 -1.838 2.832 1.00 0.00 H new ATOM 0 HA VAL A 31 20.546 -0.365 2.379 1.00 0.00 H new ATOM 0 HB VAL A 31 18.087 0.353 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.782 2.686 3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 31 20.001 1.783 4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 31 20.255 2.095 2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.345 1.545 1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 31 18.749 0.896 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.493 -0.208 1.697 1.00 0.00 H new ATOM 526 N GLY A 32 19.883 -1.679 5.291 1.00 0.00 N ATOM 527 CA GLY A 32 20.442 -2.025 6.577 1.00 0.00 C ATOM 528 C GLY A 32 19.883 -1.172 7.692 1.00 0.00 C ATOM 529 O GLY A 32 20.532 -0.970 8.718 1.00 0.00 O ATOM 0 H GLY A 32 19.024 -2.175 5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.239 -3.075 6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.525 -1.910 6.543 1.00 0.00 H new ATOM 533 N GLU A 33 18.673 -0.674 7.499 1.00 0.00 N ATOM 534 CA GLU A 33 18.050 0.195 8.482 1.00 0.00 C ATOM 535 C GLU A 33 16.844 -0.491 9.101 1.00 0.00 C ATOM 536 O GLU A 33 15.710 -0.167 8.705 1.00 0.00 O ATOM 537 CB GLU A 33 17.634 1.521 7.837 1.00 0.00 C ATOM 538 CG GLU A 33 18.792 2.304 7.237 1.00 0.00 C ATOM 539 CD GLU A 33 19.802 2.756 8.274 1.00 0.00 C ATOM 540 OE1 GLU A 33 20.747 1.993 8.556 1.00 0.00 O ATOM 541 OE2 GLU A 33 19.646 3.877 8.802 1.00 0.00 O ATOM 542 OXT GLU A 33 17.038 -1.365 9.969 1.00 0.00 O ATOM 0 H GLU A 33 18.104 -0.856 6.672 1.00 0.00 H new ATOM 0 HA GLU A 33 18.775 0.405 9.268 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.901 1.320 7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.140 2.139 8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 33 19.295 1.686 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.401 3.177 6.714 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -24.449 4.911 4.899 1.00 0.00 N ATOM 551 CA GLY B 1 -24.344 4.247 3.579 1.00 0.00 C ATOM 552 C GLY B 1 -23.076 3.430 3.459 1.00 0.00 C ATOM 553 O GLY B 1 -22.274 3.382 4.390 1.00 0.00 O ATOM 0 H1 GLY B 1 -25.272 4.536 5.412 1.00 0.00 H new ATOM 0 H2 GLY B 1 -23.586 4.728 5.449 1.00 0.00 H new ATOM 0 H3 GLY B 1 -24.563 5.936 4.764 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -25.208 3.600 3.428 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -24.367 5.000 2.791 1.00 0.00 H new ATOM 559 N SER B 2 -22.896 2.782 2.321 1.00 0.00 N ATOM 560 CA SER B 2 -21.717 1.969 2.086 1.00 0.00 C ATOM 561 C SER B 2 -20.793 2.610 1.056 1.00 0.00 C ATOM 562 O SER B 2 -19.573 2.538 1.183 1.00 0.00 O ATOM 563 CB SER B 2 -22.143 0.579 1.614 1.00 0.00 C ATOM 564 OG SER B 2 -23.215 0.676 0.691 1.00 0.00 O ATOM 0 H SER B 2 -23.555 2.804 1.543 1.00 0.00 H new ATOM 0 HA SER B 2 -21.165 1.888 3.022 1.00 0.00 H new ATOM 0 HB2 SER B 2 -21.298 0.072 1.148 1.00 0.00 H new ATOM 0 HB3 SER B 2 -22.445 -0.025 2.469 1.00 0.00 H new ATOM 0 HG SER B 2 -23.138 -0.038 0.024 1.00 0.00 H new ATOM 570 N MET B 3 -21.380 3.263 0.061 1.00 0.00 N ATOM 571 CA MET B 3 -20.624 3.747 -1.092 1.00 0.00 C ATOM 572 C MET B 3 -19.498 4.697 -0.693 1.00 0.00 C ATOM 573 O MET B 3 -18.341 4.465 -1.030 1.00 0.00 O ATOM 574 CB MET B 3 -21.554 4.424 -2.099 1.00 0.00 C ATOM 575 CG MET B 3 -22.615 3.489 -2.660 1.00 0.00 C ATOM 576 SD MET B 3 -23.574 4.235 -3.992 1.00 0.00 S ATOM 577 CE MET B 3 -22.314 4.406 -5.255 1.00 0.00 C ATOM 0 H MET B 3 -22.378 3.471 0.027 1.00 0.00 H new ATOM 0 HA MET B 3 -20.163 2.875 -1.557 1.00 0.00 H new ATOM 0 HB2 MET B 3 -22.043 5.271 -1.619 1.00 0.00 H new ATOM 0 HB3 MET B 3 -20.960 4.823 -2.921 1.00 0.00 H new ATOM 0 HG2 MET B 3 -22.135 2.582 -3.028 1.00 0.00 H new ATOM 0 HG3 MET B 3 -23.289 3.189 -1.858 1.00 0.00 H new ATOM 0 HE1 MET B 3 -22.787 4.457 -6.236 1.00 0.00 H new ATOM 0 HE2 MET B 3 -21.744 5.318 -5.079 1.00 0.00 H new ATOM 0 HE3 MET B 3 -21.644 3.547 -5.219 1.00 0.00 H new ATOM 587 N LYS B 4 -19.829 5.739 0.051 1.00 0.00 N ATOM 588 CA LYS B 4 -18.853 6.770 0.396 1.00 0.00 C ATOM 589 C LYS B 4 -17.998 6.345 1.580 1.00 0.00 C ATOM 590 O LYS B 4 -16.966 6.945 1.860 1.00 0.00 O ATOM 591 CB LYS B 4 -19.558 8.088 0.723 1.00 0.00 C ATOM 592 CG LYS B 4 -20.396 8.643 -0.417 1.00 0.00 C ATOM 593 CD LYS B 4 -20.990 9.994 -0.053 1.00 0.00 C ATOM 594 CE LYS B 4 -21.827 10.565 -1.186 1.00 0.00 C ATOM 595 NZ LYS B 4 -23.009 9.717 -1.494 1.00 0.00 N ATOM 0 H LYS B 4 -20.763 5.897 0.429 1.00 0.00 H new ATOM 0 HA LYS B 4 -18.205 6.911 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -20.199 7.939 1.592 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -18.809 8.829 1.003 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -19.780 8.742 -1.311 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -21.196 7.943 -0.658 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -21.608 9.891 0.839 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -20.188 10.690 0.193 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -22.161 11.568 -0.919 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -21.209 10.662 -2.079 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -23.638 10.223 -2.149 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -22.694 8.829 -1.934 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -23.523 9.505 -0.615 1.00 0.00 H new ATOM 609 N GLN B 5 -18.411 5.285 2.246 1.00 0.00 N ATOM 610 CA GLN B 5 -17.768 4.853 3.475 1.00 0.00 C ATOM 611 C GLN B 5 -16.736 3.789 3.164 1.00 0.00 C ATOM 612 O GLN B 5 -15.606 3.838 3.649 1.00 0.00 O ATOM 613 CB GLN B 5 -18.805 4.315 4.463 1.00 0.00 C ATOM 614 CG GLN B 5 -19.895 5.318 4.819 1.00 0.00 C ATOM 615 CD GLN B 5 -19.386 6.507 5.615 1.00 0.00 C ATOM 616 OE1 GLN B 5 -18.235 6.920 5.483 1.00 0.00 O ATOM 617 NE2 GLN B 5 -20.244 7.069 6.448 1.00 0.00 N ATOM 0 H GLN B 5 -19.195 4.702 1.955 1.00 0.00 H new ATOM 0 HA GLN B 5 -17.272 5.708 3.933 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.269 3.424 4.039 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -18.297 4.006 5.376 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -20.361 5.677 3.902 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -20.671 4.811 5.393 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -21.191 6.699 6.531 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -19.959 7.873 7.008 1.00 0.00 H new ATOM 626 N LEU B 6 -17.127 2.838 2.330 1.00 0.00 N ATOM 627 CA LEU B 6 -16.217 1.799 1.894 1.00 0.00 C ATOM 628 C LEU B 6 -15.203 2.399 0.941 1.00 0.00 C ATOM 629 O LEU B 6 -14.028 2.051 0.983 1.00 0.00 O ATOM 630 CB LEU B 6 -16.973 0.641 1.235 1.00 0.00 C ATOM 631 CG LEU B 6 -18.076 0.014 2.095 1.00 0.00 C ATOM 632 CD1 LEU B 6 -18.562 -1.288 1.490 1.00 0.00 C ATOM 633 CD2 LEU B 6 -17.596 -0.208 3.523 1.00 0.00 C ATOM 0 H LEU B 6 -18.068 2.767 1.944 1.00 0.00 H new ATOM 0 HA LEU B 6 -15.699 1.390 2.761 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -17.417 0.999 0.306 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.256 -0.135 0.968 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.913 0.712 2.121 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -19.344 -1.712 2.120 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -18.961 -1.100 0.493 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -17.731 -1.990 1.422 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -18.398 -0.654 4.111 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -16.735 -0.877 3.518 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -17.311 0.747 3.964 1.00 0.00 H new ATOM 645 N GLU B 7 -15.656 3.336 0.105 1.00 0.00 N ATOM 646 CA GLU B 7 -14.741 4.079 -0.753 1.00 0.00 C ATOM 647 C GLU B 7 -13.764 4.885 0.097 1.00 0.00 C ATOM 648 O GLU B 7 -12.586 5.011 -0.249 1.00 0.00 O ATOM 649 CB GLU B 7 -15.497 5.011 -1.700 1.00 0.00 C ATOM 650 CG GLU B 7 -14.598 5.719 -2.702 1.00 0.00 C ATOM 651 CD GLU B 7 -15.353 6.690 -3.585 1.00 0.00 C ATOM 652 OE1 GLU B 7 -15.295 7.908 -3.311 1.00 0.00 O ATOM 653 OE2 GLU B 7 -16.001 6.237 -4.550 1.00 0.00 O ATOM 0 H GLU B 7 -16.638 3.593 0.007 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.189 3.359 -1.356 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -16.248 4.435 -2.241 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -16.031 5.758 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -13.816 6.256 -2.165 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -14.103 4.976 -3.327 1.00 0.00 H new ATOM 660 N ASP B 8 -14.254 5.431 1.214 1.00 0.00 N ATOM 661 CA ASP B 8 -13.376 6.144 2.144 1.00 0.00 C ATOM 662 C ASP B 8 -12.320 5.212 2.721 1.00 0.00 C ATOM 663 O ASP B 8 -11.202 5.634 3.008 1.00 0.00 O ATOM 664 CB ASP B 8 -14.159 6.792 3.286 1.00 0.00 C ATOM 665 CG ASP B 8 -14.518 8.237 2.999 1.00 0.00 C ATOM 666 OD1 ASP B 8 -13.714 8.929 2.337 1.00 0.00 O ATOM 667 OD2 ASP B 8 -15.589 8.683 3.451 1.00 0.00 O ATOM 0 H ASP B 8 -15.235 5.394 1.492 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.888 6.932 1.571 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -15.071 6.223 3.465 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.568 6.743 4.201 1.00 0.00 H new ATOM 672 N LYS B 9 -12.678 3.946 2.890 1.00 0.00 N ATOM 673 CA LYS B 9 -11.745 2.952 3.402 1.00 0.00 C ATOM 674 C LYS B 9 -10.676 2.647 2.354 1.00 0.00 C ATOM 675 O LYS B 9 -9.492 2.541 2.678 1.00 0.00 O ATOM 676 CB LYS B 9 -12.489 1.668 3.796 1.00 0.00 C ATOM 677 CG LYS B 9 -11.587 0.584 4.376 1.00 0.00 C ATOM 678 CD LYS B 9 -10.977 0.993 5.710 1.00 0.00 C ATOM 679 CE LYS B 9 -12.016 1.024 6.822 1.00 0.00 C ATOM 680 NZ LYS B 9 -12.569 -0.328 7.107 1.00 0.00 N ATOM 0 H LYS B 9 -13.608 3.583 2.680 1.00 0.00 H new ATOM 0 HA LYS B 9 -11.260 3.354 4.291 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -13.259 1.916 4.527 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -12.999 1.271 2.918 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -12.162 -0.332 4.508 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -10.789 0.360 3.667 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -10.182 0.296 5.975 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -10.519 1.977 5.613 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -11.565 1.430 7.728 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -12.827 1.696 6.541 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -13.041 -0.322 8.034 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -13.257 -0.584 6.370 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -11.796 -1.024 7.117 1.00 0.00 H new ATOM 694 N VAL B 10 -11.103 2.528 1.100 1.00 0.00 N ATOM 695 CA VAL B 10 -10.181 2.277 -0.006 1.00 0.00 C ATOM 696 C VAL B 10 -9.165 3.414 -0.113 1.00 0.00 C ATOM 697 O VAL B 10 -7.958 3.190 -0.182 1.00 0.00 O ATOM 698 CB VAL B 10 -10.912 2.161 -1.364 1.00 0.00 C ATOM 699 CG1 VAL B 10 -9.995 1.565 -2.411 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.182 1.338 -1.267 1.00 0.00 C ATOM 0 H VAL B 10 -12.082 2.601 0.823 1.00 0.00 H new ATOM 0 HA VAL B 10 -9.687 1.330 0.210 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.195 3.172 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -10.526 1.491 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.120 2.203 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -9.678 0.571 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -12.658 1.287 -2.246 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -11.938 0.331 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -12.864 1.804 -0.556 1.00 0.00 H new ATOM 710 N GLU B 11 -9.671 4.641 -0.104 1.00 0.00 N ATOM 711 CA GLU B 11 -8.827 5.824 -0.234 1.00 0.00 C ATOM 712 C GLU B 11 -7.932 5.992 0.997 1.00 0.00 C ATOM 713 O GLU B 11 -6.851 6.572 0.913 1.00 0.00 O ATOM 714 CB GLU B 11 -9.708 7.064 -0.433 1.00 0.00 C ATOM 715 CG GLU B 11 -8.936 8.366 -0.608 1.00 0.00 C ATOM 716 CD GLU B 11 -8.065 8.379 -1.849 1.00 0.00 C ATOM 717 OE1 GLU B 11 -8.619 8.472 -2.963 1.00 0.00 O ATOM 718 OE2 GLU B 11 -6.827 8.307 -1.705 1.00 0.00 O ATOM 0 H GLU B 11 -10.666 4.844 -0.008 1.00 0.00 H new ATOM 0 HA GLU B 11 -8.180 5.702 -1.103 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.338 6.910 -1.309 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -10.373 7.163 0.425 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -9.641 9.196 -0.658 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -8.311 8.531 0.269 1.00 0.00 H new ATOM 725 N GLU B 12 -8.382 5.473 2.130 1.00 0.00 N ATOM 726 CA GLU B 12 -7.601 5.518 3.359 1.00 0.00 C ATOM 727 C GLU B 12 -6.380 4.621 3.221 1.00 0.00 C ATOM 728 O GLU B 12 -5.292 4.947 3.705 1.00 0.00 O ATOM 729 CB GLU B 12 -8.452 5.088 4.556 1.00 0.00 C ATOM 730 CG GLU B 12 -7.734 5.205 5.889 1.00 0.00 C ATOM 731 CD GLU B 12 -8.621 4.849 7.063 1.00 0.00 C ATOM 732 OE1 GLU B 12 -9.167 5.776 7.697 1.00 0.00 O ATOM 733 OE2 GLU B 12 -8.774 3.643 7.344 1.00 0.00 O ATOM 0 H GLU B 12 -9.288 5.014 2.224 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.272 6.543 3.532 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.356 5.697 4.585 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.768 4.055 4.413 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -6.862 4.551 5.886 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.368 6.224 6.012 1.00 0.00 H new ATOM 740 N LEU B 13 -6.561 3.489 2.553 1.00 0.00 N ATOM 741 CA LEU B 13 -5.433 2.655 2.186 1.00 0.00 C ATOM 742 C LEU B 13 -4.554 3.404 1.209 1.00 0.00 C ATOM 743 O LEU B 13 -3.348 3.452 1.375 1.00 0.00 O ATOM 744 CB LEU B 13 -5.882 1.334 1.565 1.00 0.00 C ATOM 745 CG LEU B 13 -6.373 0.276 2.551 1.00 0.00 C ATOM 746 CD1 LEU B 13 -6.802 -0.969 1.802 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.284 -0.070 3.556 1.00 0.00 C ATOM 0 H LEU B 13 -7.470 3.133 2.258 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.876 2.422 3.093 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.681 1.541 0.853 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -5.049 0.918 0.998 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.227 0.680 3.094 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.151 -1.719 2.512 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.609 -0.719 1.113 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -5.956 -1.366 1.242 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -5.655 -0.825 4.249 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -4.412 -0.458 3.029 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.004 0.825 4.111 1.00 0.00 H new ATOM 759 N LEU B 14 -5.176 4.029 0.217 1.00 0.00 N ATOM 760 CA LEU B 14 -4.452 4.798 -0.792 1.00 0.00 C ATOM 761 C LEU B 14 -3.614 5.902 -0.145 1.00 0.00 C ATOM 762 O LEU B 14 -2.644 6.383 -0.732 1.00 0.00 O ATOM 763 CB LEU B 14 -5.431 5.412 -1.794 1.00 0.00 C ATOM 764 CG LEU B 14 -5.042 5.246 -3.262 1.00 0.00 C ATOM 765 CD1 LEU B 14 -4.987 3.773 -3.624 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.028 5.976 -4.158 1.00 0.00 C ATOM 0 H LEU B 14 -6.188 4.019 0.088 1.00 0.00 H new ATOM 0 HA LEU B 14 -3.781 4.117 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.413 4.964 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -5.529 6.476 -1.578 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.054 5.680 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -4.709 3.666 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.247 3.272 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -5.965 3.321 -3.460 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -5.736 5.848 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.027 5.568 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.029 7.037 -3.909 1.00 0.00 H new ATOM 778 N SER B 15 -4.003 6.293 1.061 1.00 0.00 N ATOM 779 CA SER B 15 -3.264 7.279 1.833 1.00 0.00 C ATOM 780 C SER B 15 -1.952 6.673 2.334 1.00 0.00 C ATOM 781 O SER B 15 -0.888 7.279 2.198 1.00 0.00 O ATOM 782 CB SER B 15 -4.117 7.777 3.006 1.00 0.00 C ATOM 783 OG SER B 15 -3.464 8.805 3.735 1.00 0.00 O ATOM 0 H SER B 15 -4.836 5.937 1.529 1.00 0.00 H new ATOM 0 HA SER B 15 -3.029 8.131 1.195 1.00 0.00 H new ATOM 0 HB2 SER B 15 -5.071 8.148 2.630 1.00 0.00 H new ATOM 0 HB3 SER B 15 -4.339 6.944 3.673 1.00 0.00 H new ATOM 0 HG SER B 15 -4.038 9.098 4.473 1.00 0.00 H new ATOM 789 N LYS B 16 -2.021 5.466 2.892 1.00 0.00 N ATOM 790 CA LYS B 16 -0.808 4.786 3.334 1.00 0.00 C ATOM 791 C LYS B 16 -0.060 4.189 2.155 1.00 0.00 C ATOM 792 O LYS B 16 1.155 4.118 2.182 1.00 0.00 O ATOM 793 CB LYS B 16 -1.060 3.729 4.430 1.00 0.00 C ATOM 794 CG LYS B 16 -2.109 2.652 4.126 1.00 0.00 C ATOM 795 CD LYS B 16 -1.540 1.451 3.379 1.00 0.00 C ATOM 796 CE LYS B 16 -0.626 0.594 4.249 1.00 0.00 C ATOM 797 NZ LYS B 16 -1.209 0.333 5.592 1.00 0.00 N ATOM 0 H LYS B 16 -2.886 4.948 3.046 1.00 0.00 H new ATOM 0 HA LYS B 16 -0.182 5.550 3.795 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -0.115 3.231 4.645 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -1.361 4.248 5.340 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -2.553 2.312 5.062 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -2.911 3.093 3.534 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -2.361 0.837 3.008 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -0.984 1.800 2.509 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -0.435 -0.355 3.747 1.00 0.00 H new ATOM 0 HE3 LYS B 16 0.336 1.093 4.364 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -0.725 -0.477 6.029 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -1.088 1.174 6.192 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -2.222 0.120 5.495 1.00 0.00 H new ATOM 811 N ASN B 17 -0.784 3.775 1.120 1.00 0.00 N ATOM 812 CA ASN B 17 -0.165 3.350 -0.137 1.00 0.00 C ATOM 813 C ASN B 17 0.655 4.492 -0.693 1.00 0.00 C ATOM 814 O ASN B 17 1.715 4.278 -1.259 1.00 0.00 O ATOM 815 CB ASN B 17 -1.221 2.959 -1.179 1.00 0.00 C ATOM 816 CG ASN B 17 -1.966 1.694 -0.832 1.00 0.00 C ATOM 817 OD1 ASN B 17 -2.081 1.325 0.331 1.00 0.00 O ATOM 818 ND2 ASN B 17 -2.510 1.037 -1.840 1.00 0.00 N ATOM 0 H ASN B 17 -1.803 3.724 1.124 1.00 0.00 H new ATOM 0 HA ASN B 17 0.460 2.481 0.070 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -1.936 3.775 -1.285 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -0.736 2.832 -2.147 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -3.049 0.189 -1.664 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -2.391 1.377 -2.794 1.00 0.00 H new ATOM 825 N TYR B 18 0.152 5.713 -0.532 1.00 0.00 N ATOM 826 CA TYR B 18 0.880 6.890 -0.989 1.00 0.00 C ATOM 827 C TYR B 18 2.223 6.987 -0.271 1.00 0.00 C ATOM 828 O TYR B 18 3.272 7.106 -0.907 1.00 0.00 O ATOM 829 CB TYR B 18 0.057 8.159 -0.752 1.00 0.00 C ATOM 830 CG TYR B 18 0.643 9.390 -1.406 1.00 0.00 C ATOM 831 CD1 TYR B 18 0.458 9.626 -2.761 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.376 10.314 -0.673 1.00 0.00 C ATOM 833 CE1 TYR B 18 0.987 10.745 -3.369 1.00 0.00 C ATOM 834 CE2 TYR B 18 1.910 11.439 -1.273 1.00 0.00 C ATOM 835 CZ TYR B 18 1.712 11.648 -2.622 1.00 0.00 C ATOM 836 OH TYR B 18 2.242 12.766 -3.227 1.00 0.00 O ATOM 0 H TYR B 18 -0.747 5.911 -0.093 1.00 0.00 H new ATOM 0 HA TYR B 18 1.059 6.793 -2.060 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.953 8.003 -1.130 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.027 8.333 0.321 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.110 8.921 -3.350 1.00 0.00 H new ATOM 0 HD2 TYR B 18 1.531 10.151 0.383 1.00 0.00 H new ATOM 0 HE1 TYR B 18 0.834 10.913 -4.425 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.478 12.149 -0.690 1.00 0.00 H new ATOM 0 HH TYR B 18 2.724 13.301 -2.562 1.00 0.00 H new ATOM 846 N HIS B 19 2.182 6.911 1.053 1.00 0.00 N ATOM 847 CA HIS B 19 3.394 6.972 1.865 1.00 0.00 C ATOM 848 C HIS B 19 4.266 5.741 1.628 1.00 0.00 C ATOM 849 O HIS B 19 5.472 5.853 1.440 1.00 0.00 O ATOM 850 CB HIS B 19 3.031 7.076 3.352 1.00 0.00 C ATOM 851 CG HIS B 19 4.218 7.177 4.264 1.00 0.00 C ATOM 852 ND1 HIS B 19 4.600 6.168 5.125 1.00 0.00 N ATOM 853 CD2 HIS B 19 5.109 8.178 4.451 1.00 0.00 C ATOM 854 CE1 HIS B 19 5.668 6.547 5.799 1.00 0.00 C ATOM 855 NE2 HIS B 19 5.997 7.762 5.408 1.00 0.00 N ATOM 0 H HIS B 19 1.321 6.807 1.590 1.00 0.00 H new ATOM 0 HA HIS B 19 3.957 7.858 1.572 1.00 0.00 H new ATOM 0 HB2 HIS B 19 2.396 7.950 3.500 1.00 0.00 H new ATOM 0 HB3 HIS B 19 2.442 6.203 3.634 1.00 0.00 H new ATOM 0 HD2 HIS B 19 5.118 9.129 3.940 1.00 0.00 H new ATOM 0 HE1 HIS B 19 6.185 5.961 6.545 1.00 0.00 H new ATOM 0 HE2 HIS B 19 6.785 8.305 5.761 1.00 0.00 H new ATOM 864 N LEU B 20 3.639 4.577 1.633 1.00 0.00 N ATOM 865 CA LEU B 20 4.317 3.312 1.488 1.00 0.00 C ATOM 866 C LEU B 20 4.939 3.150 0.081 1.00 0.00 C ATOM 867 O LEU B 20 6.030 2.593 -0.055 1.00 0.00 O ATOM 868 CB LEU B 20 3.302 2.210 1.855 1.00 0.00 C ATOM 869 CG LEU B 20 3.649 0.791 1.476 1.00 0.00 C ATOM 870 CD1 LEU B 20 5.067 0.458 1.857 1.00 0.00 C ATOM 871 CD2 LEU B 20 2.721 -0.195 2.144 1.00 0.00 C ATOM 0 H LEU B 20 2.628 4.489 1.740 1.00 0.00 H new ATOM 0 HA LEU B 20 5.172 3.244 2.161 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.146 2.242 2.933 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.350 2.460 1.387 1.00 0.00 H new ATOM 0 HG LEU B 20 3.538 0.716 0.394 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.288 -0.570 1.572 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.750 1.133 1.341 1.00 0.00 H new ATOM 0 HD13 LEU B 20 5.190 0.570 2.934 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.996 -1.209 1.852 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.802 -0.095 3.226 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.695 0.006 1.837 1.00 0.00 H new ATOM 883 N GLU B 21 4.284 3.676 -0.956 1.00 0.00 N ATOM 884 CA GLU B 21 4.854 3.652 -2.307 1.00 0.00 C ATOM 885 C GLU B 21 6.094 4.536 -2.382 1.00 0.00 C ATOM 886 O GLU B 21 7.110 4.153 -2.967 1.00 0.00 O ATOM 887 CB GLU B 21 3.831 4.109 -3.354 1.00 0.00 C ATOM 888 CG GLU B 21 2.889 3.013 -3.820 1.00 0.00 C ATOM 889 CD GLU B 21 1.835 3.520 -4.781 1.00 0.00 C ATOM 890 OE1 GLU B 21 0.689 3.738 -4.339 1.00 0.00 O ATOM 891 OE2 GLU B 21 2.154 3.702 -5.975 1.00 0.00 O ATOM 0 H GLU B 21 3.368 4.120 -0.889 1.00 0.00 H new ATOM 0 HA GLU B 21 5.134 2.621 -2.525 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.242 4.927 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.364 4.507 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.466 2.224 -4.303 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.401 2.566 -2.954 1.00 0.00 H new ATOM 898 N ASN B 22 6.010 5.718 -1.783 1.00 0.00 N ATOM 899 CA ASN B 22 7.144 6.637 -1.744 1.00 0.00 C ATOM 900 C ASN B 22 8.231 6.098 -0.825 1.00 0.00 C ATOM 901 O ASN B 22 9.419 6.348 -1.033 1.00 0.00 O ATOM 902 CB ASN B 22 6.710 8.033 -1.290 1.00 0.00 C ATOM 903 CG ASN B 22 6.068 8.839 -2.406 1.00 0.00 C ATOM 904 OD1 ASN B 22 6.755 9.521 -3.167 1.00 0.00 O ATOM 905 ND2 ASN B 22 4.749 8.775 -2.513 1.00 0.00 N ATOM 0 H ASN B 22 5.170 6.063 -1.318 1.00 0.00 H new ATOM 0 HA ASN B 22 7.544 6.720 -2.755 1.00 0.00 H new ATOM 0 HB2 ASN B 22 6.006 7.939 -0.464 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.577 8.573 -0.910 1.00 0.00 H new ATOM 0 HD21 ASN B 22 4.270 9.301 -3.244 1.00 0.00 H new ATOM 0 HD22 ASN B 22 4.212 8.199 -1.864 1.00 0.00 H new ATOM 912 N GLU B 23 7.815 5.349 0.188 1.00 0.00 N ATOM 913 CA GLU B 23 8.744 4.713 1.106 1.00 0.00 C ATOM 914 C GLU B 23 9.620 3.715 0.356 1.00 0.00 C ATOM 915 O GLU B 23 10.837 3.692 0.537 1.00 0.00 O ATOM 916 CB GLU B 23 7.979 4.025 2.240 1.00 0.00 C ATOM 917 CG GLU B 23 8.869 3.403 3.302 1.00 0.00 C ATOM 918 CD GLU B 23 8.086 2.968 4.525 1.00 0.00 C ATOM 919 OE1 GLU B 23 7.504 1.864 4.496 1.00 0.00 O ATOM 920 OE2 GLU B 23 8.053 3.734 5.509 1.00 0.00 O ATOM 0 H GLU B 23 6.832 5.168 0.393 1.00 0.00 H new ATOM 0 HA GLU B 23 9.390 5.474 1.544 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.321 4.753 2.714 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.342 3.249 1.815 1.00 0.00 H new ATOM 0 HG2 GLU B 23 9.387 2.542 2.880 1.00 0.00 H new ATOM 0 HG3 GLU B 23 9.633 4.121 3.599 1.00 0.00 H new ATOM 927 N VAL B 24 9.000 2.907 -0.502 1.00 0.00 N ATOM 928 CA VAL B 24 9.753 1.984 -1.341 1.00 0.00 C ATOM 929 C VAL B 24 10.713 2.750 -2.248 1.00 0.00 C ATOM 930 O VAL B 24 11.884 2.400 -2.356 1.00 0.00 O ATOM 931 CB VAL B 24 8.838 1.089 -2.221 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.632 0.444 -3.340 1.00 0.00 C ATOM 933 CG2 VAL B 24 8.212 0.004 -1.395 1.00 0.00 C ATOM 0 H VAL B 24 7.989 2.874 -0.632 1.00 0.00 H new ATOM 0 HA VAL B 24 10.307 1.335 -0.662 1.00 0.00 H new ATOM 0 HB VAL B 24 8.062 1.727 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.971 -0.178 -3.943 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.073 1.219 -3.967 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.424 -0.173 -2.915 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.574 -0.613 -2.028 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.994 -0.615 -0.954 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.612 0.451 -0.602 1.00 0.00 H new ATOM 943 N ALA B 25 10.203 3.807 -2.877 1.00 0.00 N ATOM 944 CA ALA B 25 10.982 4.602 -3.824 1.00 0.00 C ATOM 945 C ALA B 25 12.271 5.116 -3.191 1.00 0.00 C ATOM 946 O ALA B 25 13.342 5.045 -3.799 1.00 0.00 O ATOM 947 CB ALA B 25 10.147 5.766 -4.346 1.00 0.00 C ATOM 0 H ALA B 25 9.246 4.135 -2.746 1.00 0.00 H new ATOM 0 HA ALA B 25 11.255 3.957 -4.659 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.738 6.351 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.260 5.381 -4.849 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.845 6.400 -3.512 1.00 0.00 H new ATOM 953 N ARG B 26 12.165 5.624 -1.968 1.00 0.00 N ATOM 954 CA ARG B 26 13.327 6.118 -1.240 1.00 0.00 C ATOM 955 C ARG B 26 14.332 4.997 -1.016 1.00 0.00 C ATOM 956 O ARG B 26 15.487 5.101 -1.422 1.00 0.00 O ATOM 957 CB ARG B 26 12.904 6.721 0.101 1.00 0.00 C ATOM 958 CG ARG B 26 11.984 7.921 -0.043 1.00 0.00 C ATOM 959 CD ARG B 26 11.566 8.473 1.309 1.00 0.00 C ATOM 960 NE ARG B 26 10.632 9.591 1.173 1.00 0.00 N ATOM 961 CZ ARG B 26 10.218 10.351 2.186 1.00 0.00 C ATOM 962 NH1 ARG B 26 10.653 10.118 3.418 1.00 0.00 N ATOM 963 NH2 ARG B 26 9.367 11.345 1.964 1.00 0.00 N ATOM 0 H ARG B 26 11.284 5.704 -1.460 1.00 0.00 H new ATOM 0 HA ARG B 26 13.799 6.897 -1.839 1.00 0.00 H new ATOM 0 HB2 ARG B 26 12.402 5.956 0.693 1.00 0.00 H new ATOM 0 HB3 ARG B 26 13.794 7.019 0.654 1.00 0.00 H new ATOM 0 HG2 ARG B 26 12.489 8.700 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG B 26 11.098 7.634 -0.609 1.00 0.00 H new ATOM 0 HD2 ARG B 26 11.102 7.681 1.897 1.00 0.00 H new ATOM 0 HD3 ARG B 26 12.449 8.802 1.857 1.00 0.00 H new ATOM 0 HE ARG B 26 10.274 9.802 0.241 1.00 0.00 H new ATOM 0 HH11 ARG B 26 11.307 9.355 3.592 1.00 0.00 H new ATOM 0 HH12 ARG B 26 10.334 10.702 4.191 1.00 0.00 H new ATOM 0 HH21 ARG B 26 9.030 11.527 1.018 1.00 0.00 H new ATOM 0 HH22 ARG B 26 9.050 11.927 2.739 1.00 0.00 H new ATOM 977 N LEU B 27 13.869 3.915 -0.404 1.00 0.00 N ATOM 978 CA LEU B 27 14.726 2.775 -0.081 1.00 0.00 C ATOM 979 C LEU B 27 15.370 2.201 -1.340 1.00 0.00 C ATOM 980 O LEU B 27 16.557 1.878 -1.355 1.00 0.00 O ATOM 981 CB LEU B 27 13.917 1.669 0.608 1.00 0.00 C ATOM 982 CG LEU B 27 13.606 1.847 2.104 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.287 3.290 2.464 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.444 0.949 2.490 1.00 0.00 C ATOM 0 H LEU B 27 12.897 3.800 -0.118 1.00 0.00 H new ATOM 0 HA LEU B 27 15.506 3.133 0.591 1.00 0.00 H new ATOM 0 HB2 LEU B 27 12.971 1.564 0.077 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.457 0.730 0.486 1.00 0.00 H new ATOM 0 HG LEU B 27 14.500 1.568 2.661 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.075 3.361 3.531 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.141 3.923 2.221 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.416 3.622 1.898 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.223 1.075 3.550 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.566 1.217 1.902 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.707 -0.091 2.295 1.00 0.00 H new ATOM 996 N LYS B 28 14.573 2.089 -2.391 1.00 0.00 N ATOM 997 CA LYS B 28 15.009 1.490 -3.646 1.00 0.00 C ATOM 998 C LYS B 28 16.170 2.275 -4.249 1.00 0.00 C ATOM 999 O LYS B 28 17.138 1.694 -4.751 1.00 0.00 O ATOM 1000 CB LYS B 28 13.826 1.442 -4.618 1.00 0.00 C ATOM 1001 CG LYS B 28 13.974 0.432 -5.742 1.00 0.00 C ATOM 1002 CD LYS B 28 14.363 -0.939 -5.212 1.00 0.00 C ATOM 1003 CE LYS B 28 13.884 -2.057 -6.124 1.00 0.00 C ATOM 1004 NZ LYS B 28 14.212 -1.803 -7.551 1.00 0.00 N ATOM 0 H LYS B 28 13.605 2.410 -2.400 1.00 0.00 H new ATOM 0 HA LYS B 28 15.361 0.476 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS B 28 12.920 1.212 -4.057 1.00 0.00 H new ATOM 0 HB3 LYS B 28 13.689 2.432 -5.052 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.036 0.358 -6.292 1.00 0.00 H new ATOM 0 HG3 LYS B 28 14.730 0.779 -6.447 1.00 0.00 H new ATOM 0 HD2 LYS B 28 15.447 -0.994 -5.109 1.00 0.00 H new ATOM 0 HD3 LYS B 28 13.941 -1.077 -4.217 1.00 0.00 H new ATOM 0 HE2 LYS B 28 14.338 -2.997 -5.811 1.00 0.00 H new ATOM 0 HE3 LYS B 28 12.805 -2.173 -6.017 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 14.151 -2.693 -8.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 13.538 -1.116 -7.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 15.177 -1.422 -7.623 1.00 0.00 H new ATOM 1018 N LYS B 29 16.082 3.595 -4.168 1.00 0.00 N ATOM 1019 CA LYS B 29 17.125 4.472 -4.683 1.00 0.00 C ATOM 1020 C LYS B 29 18.347 4.454 -3.765 1.00 0.00 C ATOM 1021 O LYS B 29 19.466 4.749 -4.188 1.00 0.00 O ATOM 1022 CB LYS B 29 16.582 5.896 -4.823 1.00 0.00 C ATOM 1023 CG LYS B 29 17.602 6.898 -5.333 1.00 0.00 C ATOM 1024 CD LYS B 29 16.984 8.272 -5.517 1.00 0.00 C ATOM 1025 CE LYS B 29 18.028 9.304 -5.903 1.00 0.00 C ATOM 1026 NZ LYS B 29 19.036 9.504 -4.826 1.00 0.00 N ATOM 0 H LYS B 29 15.293 4.085 -3.747 1.00 0.00 H new ATOM 0 HA LYS B 29 17.434 4.112 -5.664 1.00 0.00 H new ATOM 0 HB2 LYS B 29 15.729 5.884 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.213 6.230 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS B 29 18.434 6.962 -4.631 1.00 0.00 H new ATOM 0 HG3 LYS B 29 18.012 6.552 -6.282 1.00 0.00 H new ATOM 0 HD2 LYS B 29 16.214 8.226 -6.287 1.00 0.00 H new ATOM 0 HD3 LYS B 29 16.493 8.578 -4.593 1.00 0.00 H new ATOM 0 HE2 LYS B 29 18.531 8.987 -6.817 1.00 0.00 H new ATOM 0 HE3 LYS B 29 17.537 10.252 -6.122 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 19.560 10.385 -5.000 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 18.554 9.563 -3.906 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 19.699 8.703 -4.818 1.00 0.00 H new ATOM 1040 N LEU B 30 18.124 4.077 -2.514 1.00 0.00 N ATOM 1041 CA LEU B 30 19.186 4.029 -1.517 1.00 0.00 C ATOM 1042 C LEU B 30 19.961 2.726 -1.633 1.00 0.00 C ATOM 1043 O LEU B 30 21.163 2.680 -1.366 1.00 0.00 O ATOM 1044 CB LEU B 30 18.612 4.187 -0.114 1.00 0.00 C ATOM 1045 CG LEU B 30 17.963 5.542 0.170 1.00 0.00 C ATOM 1046 CD1 LEU B 30 17.193 5.486 1.468 1.00 0.00 C ATOM 1047 CD2 LEU B 30 19.006 6.651 0.223 1.00 0.00 C ATOM 0 H LEU B 30 17.208 3.797 -2.162 1.00 0.00 H new ATOM 0 HA LEU B 30 19.871 4.857 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU B 30 17.871 3.405 0.049 1.00 0.00 H new ATOM 0 HB3 LEU B 30 19.411 4.025 0.610 1.00 0.00 H new ATOM 0 HG LEU B 30 17.274 5.766 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU B 30 16.735 6.456 1.661 1.00 0.00 H new ATOM 0 HD12 LEU B 30 16.416 4.725 1.398 1.00 0.00 H new ATOM 0 HD13 LEU B 30 17.872 5.237 2.283 1.00 0.00 H new ATOM 0 HD21 LEU B 30 18.515 7.603 0.426 1.00 0.00 H new ATOM 0 HD22 LEU B 30 19.725 6.437 1.014 1.00 0.00 H new ATOM 0 HD23 LEU B 30 19.526 6.708 -0.734 1.00 0.00 H new ATOM 1059 N VAL B 31 19.265 1.668 -2.035 1.00 0.00 N ATOM 1060 CA VAL B 31 19.920 0.412 -2.373 1.00 0.00 C ATOM 1061 C VAL B 31 20.636 0.584 -3.705 1.00 0.00 C ATOM 1062 O VAL B 31 21.656 -0.053 -3.977 1.00 0.00 O ATOM 1063 CB VAL B 31 18.912 -0.760 -2.476 1.00 0.00 C ATOM 1064 CG1 VAL B 31 19.625 -2.070 -2.783 1.00 0.00 C ATOM 1065 CG2 VAL B 31 18.102 -0.891 -1.199 1.00 0.00 C ATOM 0 H VAL B 31 18.250 1.656 -2.134 1.00 0.00 H new ATOM 0 HA VAL B 31 20.625 0.167 -1.579 1.00 0.00 H new ATOM 0 HB VAL B 31 18.231 -0.539 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL B 31 18.894 -2.875 -2.850 1.00 0.00 H new ATOM 0 HG12 VAL B 31 20.155 -1.982 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL B 31 20.337 -2.292 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL B 31 17.402 -1.720 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL B 31 18.773 -1.078 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.549 0.032 -1.022 1.00 0.00 H new ATOM 1075 N GLY B 32 20.092 1.477 -4.520 1.00 0.00 N ATOM 1076 CA GLY B 32 20.705 1.817 -5.782 1.00 0.00 C ATOM 1077 C GLY B 32 20.184 0.966 -6.916 1.00 0.00 C ATOM 1078 O GLY B 32 20.875 0.751 -7.911 1.00 0.00 O ATOM 0 H GLY B 32 19.225 1.977 -4.323 1.00 0.00 H new ATOM 0 HA2 GLY B 32 20.519 2.868 -6.003 1.00 0.00 H new ATOM 0 HA3 GLY B 32 21.785 1.694 -5.704 1.00 0.00 H new ATOM 1082 N GLU B 33 18.961 0.481 -6.773 1.00 0.00 N ATOM 1083 CA GLU B 33 18.370 -0.384 -7.782 1.00 0.00 C ATOM 1084 C GLU B 33 17.195 0.316 -8.450 1.00 0.00 C ATOM 1085 O GLU B 33 16.040 0.022 -8.090 1.00 0.00 O ATOM 1086 CB GLU B 33 17.919 -1.707 -7.153 1.00 0.00 C ATOM 1087 CG GLU B 33 19.049 -2.500 -6.507 1.00 0.00 C ATOM 1088 CD GLU B 33 20.091 -2.970 -7.507 1.00 0.00 C ATOM 1089 OE1 GLU B 33 21.049 -2.213 -7.769 1.00 0.00 O ATOM 1090 OE2 GLU B 33 19.951 -4.097 -8.024 1.00 0.00 O ATOM 1091 OXT GLU B 33 17.432 1.184 -9.313 1.00 0.00 O ATOM 0 H GLU B 33 18.360 0.671 -5.971 1.00 0.00 H new ATOM 0 HA GLU B 33 19.122 -0.602 -8.540 1.00 0.00 H new ATOM 0 HB2 GLU B 33 17.158 -1.500 -6.401 1.00 0.00 H new ATOM 0 HB3 GLU B 33 17.450 -2.322 -7.921 1.00 0.00 H new ATOM 0 HG2 GLU B 33 19.532 -1.882 -5.750 1.00 0.00 H new ATOM 0 HG3 GLU B 33 18.631 -3.365 -5.993 1.00 0.00 H new TER 1098 GLU B 33