USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 670 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 MET CE :methyl -126:sc= -2.99 (180deg=-4.61!) USER MOD Set 1.2: A 77 MET CE :methyl -119:sc= -3.08! (180deg=-5.31!) USER MOD Set 1.3: A 80 THR OG1 : rot 180:sc= 1.47 USER MOD Set 2.1: A 70 GLN :FLIP amide:sc= -1.92! F(o=-3,f=-0.75!) USER MOD Set 2.2: B 102 THR OG1 : rot 95:sc= 1.17 USER MOD Set 3.1: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 101 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc=-0.00549 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -135:sc= 0.558 (180deg=0.0716) USER MOD Single : A 14 GLN : amide:sc= -0.0813 X(o=-0.081,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= 0.0149 (180deg=0.000144) USER MOD Single : A 29 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.084) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc=-0.000916 USER MOD Single : A 41 LYS NZ :NH3+ -105:sc= 0.846 (180deg=-0.182) USER MOD Single : A 56 GLN : amide:sc= -0.246 K(o=-0.25,f=-5!) USER MOD Single : A 59 SER OG : rot 180:sc= -0.203 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -121:sc=-0.00364 (180deg=-0.336) USER MOD ----------------------------------------------------------------- ATOM 71 N GLU A 5 -8.597 4.121 -11.253 1.00 0.00 N ATOM 72 CA GLU A 5 -9.603 4.229 -10.202 1.00 0.00 C ATOM 73 C GLU A 5 -8.981 4.012 -8.828 1.00 0.00 C ATOM 74 O GLU A 5 -8.897 2.886 -8.335 1.00 0.00 O ATOM 75 CB GLU A 5 -10.730 3.222 -10.439 1.00 0.00 C ATOM 76 CG GLU A 5 -11.885 3.350 -9.456 1.00 0.00 C ATOM 77 CD GLU A 5 -13.020 2.393 -9.764 1.00 0.00 C ATOM 78 OE1 GLU A 5 -13.695 2.584 -10.798 1.00 0.00 O ATOM 79 OE2 GLU A 5 -13.234 1.452 -8.971 1.00 0.00 O ATOM 0 HA GLU A 5 -10.019 5.236 -10.232 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.112 3.350 -11.452 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.322 2.213 -10.377 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.520 3.163 -8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.262 4.373 -9.474 1.00 0.00 H new ATOM 86 N ILE A 6 -8.545 5.104 -8.219 1.00 0.00 N ATOM 87 CA ILE A 6 -7.925 5.060 -6.901 1.00 0.00 C ATOM 88 C ILE A 6 -8.963 5.298 -5.803 1.00 0.00 C ATOM 89 O ILE A 6 -9.815 6.180 -5.925 1.00 0.00 O ATOM 90 CB ILE A 6 -6.806 6.113 -6.788 1.00 0.00 C ATOM 91 CG1 ILE A 6 -5.787 5.934 -7.917 1.00 0.00 C ATOM 92 CG2 ILE A 6 -6.119 6.030 -5.433 1.00 0.00 C ATOM 93 CD1 ILE A 6 -5.512 7.208 -8.685 1.00 0.00 C ATOM 0 H ILE A 6 -8.609 6.040 -8.620 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.494 4.067 -6.772 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.257 7.101 -6.880 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.852 5.562 -7.497 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.151 5.173 -8.608 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.333 6.783 -5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.849 6.208 -4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.682 5.039 -5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.782 7.010 -9.469 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.437 7.569 -9.134 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.118 7.964 -8.006 1.00 0.00 H new ATOM 105 N ILE A 7 -8.885 4.503 -4.735 1.00 0.00 N ATOM 106 CA ILE A 7 -9.820 4.622 -3.616 1.00 0.00 C ATOM 107 C ILE A 7 -9.139 4.314 -2.284 1.00 0.00 C ATOM 108 O ILE A 7 -8.163 3.561 -2.231 1.00 0.00 O ATOM 109 CB ILE A 7 -11.033 3.678 -3.783 1.00 0.00 C ATOM 110 CG1 ILE A 7 -10.570 2.222 -3.926 1.00 0.00 C ATOM 111 CG2 ILE A 7 -11.877 4.094 -4.980 1.00 0.00 C ATOM 112 CD1 ILE A 7 -11.466 1.228 -3.216 1.00 0.00 C ATOM 0 H ILE A 7 -8.184 3.770 -4.622 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.167 5.655 -3.615 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.650 3.753 -2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.525 1.966 -4.985 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.557 2.131 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.725 3.417 -5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.240 5.111 -4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.271 4.052 -5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.077 0.220 -3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.492 1.458 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.474 1.290 -3.625 1.00 0.00 H new ATOM 124 N THR A 8 -9.667 4.895 -1.207 1.00 0.00 N ATOM 125 CA THR A 8 -9.119 4.682 0.130 1.00 0.00 C ATOM 126 C THR A 8 -10.084 3.873 0.994 1.00 0.00 C ATOM 127 O THR A 8 -11.300 4.066 0.931 1.00 0.00 O ATOM 128 CB THR A 8 -8.813 6.023 0.804 1.00 0.00 C ATOM 129 OG1 THR A 8 -8.191 6.915 -0.106 1.00 0.00 O ATOM 130 CG2 THR A 8 -7.908 5.894 2.013 1.00 0.00 C ATOM 0 H THR A 8 -10.475 5.517 -1.236 1.00 0.00 H new ATOM 0 HA THR A 8 -8.192 4.118 0.026 1.00 0.00 H new ATOM 0 HB THR A 8 -9.779 6.406 1.132 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.006 7.765 0.344 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.732 6.880 2.442 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.383 5.254 2.757 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.957 5.455 1.711 1.00 0.00 H new ATOM 138 N VAL A 9 -9.531 2.970 1.804 1.00 0.00 N ATOM 139 CA VAL A 9 -10.333 2.130 2.689 1.00 0.00 C ATOM 140 C VAL A 9 -9.941 2.340 4.148 1.00 0.00 C ATOM 141 O VAL A 9 -8.757 2.354 4.485 1.00 0.00 O ATOM 142 CB VAL A 9 -10.189 0.632 2.343 1.00 0.00 C ATOM 143 CG1 VAL A 9 -10.915 0.314 1.046 1.00 0.00 C ATOM 144 CG2 VAL A 9 -8.721 0.231 2.257 1.00 0.00 C ATOM 0 H VAL A 9 -8.527 2.802 1.864 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.372 2.427 2.543 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.647 0.051 3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.803 -0.746 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.973 0.553 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.490 0.907 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.647 -0.829 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.228 0.818 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.236 0.417 3.216 1.00 0.00 H new ATOM 154 N THR A 10 -10.942 2.502 5.009 1.00 0.00 N ATOM 155 CA THR A 10 -10.703 2.709 6.433 1.00 0.00 C ATOM 156 C THR A 10 -11.132 1.482 7.237 1.00 0.00 C ATOM 157 O THR A 10 -12.305 1.335 7.588 1.00 0.00 O ATOM 158 CB THR A 10 -11.450 3.954 6.923 1.00 0.00 C ATOM 159 OG1 THR A 10 -11.291 5.029 6.012 1.00 0.00 O ATOM 160 CG2 THR A 10 -10.988 4.434 8.282 1.00 0.00 C ATOM 0 H THR A 10 -11.927 2.494 4.744 1.00 0.00 H new ATOM 0 HA THR A 10 -9.634 2.861 6.583 1.00 0.00 H new ATOM 0 HB THR A 10 -12.494 3.651 6.997 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.777 5.813 6.343 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.558 5.318 8.569 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.145 3.646 9.019 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.928 4.684 8.239 1.00 0.00 H new ATOM 168 N LEU A 11 -10.173 0.601 7.520 1.00 0.00 N ATOM 169 CA LEU A 11 -10.443 -0.620 8.279 1.00 0.00 C ATOM 170 C LEU A 11 -9.680 -0.619 9.605 1.00 0.00 C ATOM 171 O LEU A 11 -8.862 0.267 9.858 1.00 0.00 O ATOM 172 CB LEU A 11 -10.054 -1.851 7.452 1.00 0.00 C ATOM 173 CG LEU A 11 -10.727 -1.955 6.080 1.00 0.00 C ATOM 174 CD1 LEU A 11 -10.154 -3.121 5.289 1.00 0.00 C ATOM 175 CD2 LEU A 11 -12.235 -2.102 6.234 1.00 0.00 C ATOM 0 H LEU A 11 -9.200 0.710 7.234 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.510 -0.657 8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.973 -1.846 7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.296 -2.746 8.026 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.526 -1.036 5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.645 -3.178 4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.084 -2.973 5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.322 -4.049 5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.696 -2.174 5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.456 -3.004 6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.634 -1.233 6.758 1.00 0.00 H new ATOM 187 N LYS A 12 -9.952 -1.616 10.448 1.00 0.00 N ATOM 188 CA LYS A 12 -9.288 -1.727 11.746 1.00 0.00 C ATOM 189 C LYS A 12 -8.144 -2.740 11.693 1.00 0.00 C ATOM 190 O LYS A 12 -8.067 -3.557 10.773 1.00 0.00 O ATOM 191 CB LYS A 12 -10.292 -2.131 12.830 1.00 0.00 C ATOM 192 CG LYS A 12 -10.985 -0.948 13.492 1.00 0.00 C ATOM 193 CD LYS A 12 -11.093 -1.130 15.000 1.00 0.00 C ATOM 194 CE LYS A 12 -11.251 0.205 15.715 1.00 0.00 C ATOM 195 NZ LYS A 12 -10.774 0.146 17.126 1.00 0.00 N ATOM 0 H LYS A 12 -10.626 -2.357 10.255 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.873 -0.750 11.993 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.046 -2.783 12.390 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.775 -2.712 13.594 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.432 -0.034 13.274 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.982 -0.826 13.068 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.945 -1.770 15.230 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.203 -1.639 15.370 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.694 0.972 15.177 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.300 0.502 15.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.900 1.076 17.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.322 -0.567 17.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.767 -0.112 17.141 1.00 0.00 H new ATOM 209 N LYS A 13 -7.256 -2.676 12.685 1.00 0.00 N ATOM 210 CA LYS A 13 -6.111 -3.580 12.758 1.00 0.00 C ATOM 211 C LYS A 13 -6.531 -4.961 13.262 1.00 0.00 C ATOM 212 O LYS A 13 -6.703 -5.170 14.464 1.00 0.00 O ATOM 213 CB LYS A 13 -5.028 -2.990 13.669 1.00 0.00 C ATOM 214 CG LYS A 13 -3.775 -3.848 13.772 1.00 0.00 C ATOM 215 CD LYS A 13 -2.775 -3.260 14.756 1.00 0.00 C ATOM 216 CE LYS A 13 -1.603 -2.606 14.041 1.00 0.00 C ATOM 217 NZ LYS A 13 -1.024 -1.479 14.827 1.00 0.00 N ATOM 0 H LYS A 13 -7.309 -2.005 13.451 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.706 -3.696 11.753 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.752 -2.004 13.297 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.443 -2.849 14.667 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.048 -4.855 14.087 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.311 -3.936 12.789 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.274 -2.524 15.386 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.407 -4.046 15.415 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.830 -3.352 13.855 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.932 -2.238 13.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.858 -0.667 14.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.687 -1.204 15.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.123 -1.779 15.252 1.00 0.00 H new ATOM 231 N GLN A 14 -6.690 -5.901 12.331 1.00 0.00 N ATOM 232 CA GLN A 14 -7.083 -7.266 12.672 1.00 0.00 C ATOM 233 C GLN A 14 -5.848 -8.140 12.887 1.00 0.00 C ATOM 234 O GLN A 14 -5.435 -8.882 11.993 1.00 0.00 O ATOM 235 CB GLN A 14 -7.963 -7.855 11.565 1.00 0.00 C ATOM 236 CG GLN A 14 -8.960 -8.891 12.060 1.00 0.00 C ATOM 237 CD GLN A 14 -10.348 -8.315 12.266 1.00 0.00 C ATOM 238 OE1 GLN A 14 -10.860 -8.286 13.385 1.00 0.00 O ATOM 239 NE2 GLN A 14 -10.967 -7.852 11.184 1.00 0.00 N ATOM 0 H GLN A 14 -6.552 -5.741 11.333 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.655 -7.241 13.600 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.506 -7.046 11.076 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.324 -8.312 10.810 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.014 -9.710 11.342 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.603 -9.313 12.999 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.506 -7.895 10.275 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.903 -7.453 11.263 1.00 0.00 H new ATOM 248 N ASN A 15 -5.253 -8.035 14.078 1.00 0.00 N ATOM 249 CA ASN A 15 -4.053 -8.802 14.419 1.00 0.00 C ATOM 250 C ASN A 15 -2.907 -8.489 13.448 1.00 0.00 C ATOM 251 O ASN A 15 -2.103 -9.363 13.116 1.00 0.00 O ATOM 252 CB ASN A 15 -4.358 -10.307 14.415 1.00 0.00 C ATOM 253 CG ASN A 15 -3.773 -11.018 15.622 1.00 0.00 C ATOM 254 OD1 ASN A 15 -2.896 -11.872 15.489 1.00 0.00 O ATOM 255 ND2 ASN A 15 -4.256 -10.670 16.811 1.00 0.00 N ATOM 0 H ASN A 15 -5.584 -7.424 14.824 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.740 -8.511 15.422 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.438 -10.456 14.396 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.959 -10.754 13.504 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.900 -11.116 17.657 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.983 -9.957 16.878 1.00 0.00 H new ATOM 262 N GLY A 16 -2.844 -7.234 12.996 1.00 0.00 N ATOM 263 CA GLY A 16 -1.805 -6.821 12.067 1.00 0.00 C ATOM 264 C GLY A 16 -2.280 -6.845 10.627 1.00 0.00 C ATOM 265 O GLY A 16 -3.180 -7.613 10.279 1.00 0.00 O ATOM 0 H GLY A 16 -3.497 -6.496 13.259 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.472 -5.815 12.321 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.942 -7.479 12.174 1.00 0.00 H new ATOM 269 N MET A 17 -1.678 -6.005 9.785 1.00 0.00 N ATOM 270 CA MET A 17 -2.048 -5.938 8.372 1.00 0.00 C ATOM 271 C MET A 17 -1.846 -7.291 7.698 1.00 0.00 C ATOM 272 O MET A 17 -2.780 -7.853 7.123 1.00 0.00 O ATOM 273 CB MET A 17 -1.226 -4.868 7.648 1.00 0.00 C ATOM 274 CG MET A 17 -1.883 -3.498 7.639 1.00 0.00 C ATOM 275 SD MET A 17 -1.043 -2.321 8.713 1.00 0.00 S ATOM 276 CE MET A 17 0.629 -2.412 8.076 1.00 0.00 C ATOM 0 H MET A 17 -0.933 -5.363 10.056 1.00 0.00 H new ATOM 0 HA MET A 17 -3.103 -5.670 8.313 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.248 -4.790 8.123 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.056 -5.187 6.620 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.894 -3.111 6.620 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.922 -3.595 7.954 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.317 -2.634 8.891 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.690 -3.200 7.325 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.898 -1.458 7.624 1.00 0.00 H new ATOM 286 N GLY A 18 -0.621 -7.811 7.779 1.00 0.00 N ATOM 287 CA GLY A 18 -0.319 -9.095 7.179 1.00 0.00 C ATOM 288 C GLY A 18 -0.314 -9.045 5.664 1.00 0.00 C ATOM 289 O GLY A 18 -1.228 -9.556 5.019 1.00 0.00 O ATOM 0 H GLY A 18 0.165 -7.363 8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.655 -9.436 7.531 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.053 -9.829 7.512 1.00 0.00 H new ATOM 293 N LEU A 19 0.718 -8.426 5.099 1.00 0.00 N ATOM 294 CA LEU A 19 0.854 -8.311 3.648 1.00 0.00 C ATOM 295 C LEU A 19 2.299 -8.004 3.265 1.00 0.00 C ATOM 296 O LEU A 19 3.158 -7.845 4.130 1.00 0.00 O ATOM 297 CB LEU A 19 -0.075 -7.224 3.103 1.00 0.00 C ATOM 298 CG LEU A 19 0.303 -5.799 3.503 1.00 0.00 C ATOM 299 CD1 LEU A 19 1.191 -5.161 2.444 1.00 0.00 C ATOM 300 CD2 LEU A 19 -0.942 -4.958 3.738 1.00 0.00 C ATOM 0 H LEU A 19 1.477 -7.994 5.626 1.00 0.00 H new ATOM 0 HA LEU A 19 0.571 -9.266 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.089 -7.289 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.089 -7.426 3.447 1.00 0.00 H new ATOM 0 HG LEU A 19 0.864 -5.845 4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.449 -4.147 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.102 -5.749 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.659 -5.130 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.650 -3.947 4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.534 -4.921 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.535 -5.402 4.537 1.00 0.00 H new ATOM 312 N SER A 20 2.557 -7.914 1.963 1.00 0.00 N ATOM 313 CA SER A 20 3.892 -7.617 1.465 1.00 0.00 C ATOM 314 C SER A 20 3.826 -6.572 0.359 1.00 0.00 C ATOM 315 O SER A 20 3.096 -6.739 -0.615 1.00 0.00 O ATOM 316 CB SER A 20 4.561 -8.892 0.945 1.00 0.00 C ATOM 317 OG SER A 20 4.427 -9.954 1.874 1.00 0.00 O ATOM 0 H SER A 20 1.855 -8.043 1.234 1.00 0.00 H new ATOM 0 HA SER A 20 4.487 -7.219 2.287 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.114 -9.179 -0.007 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.617 -8.701 0.756 1.00 0.00 H new ATOM 0 HG SER A 20 4.861 -10.757 1.518 1.00 0.00 H new ATOM 323 N ILE A 21 4.591 -5.494 0.518 1.00 0.00 N ATOM 324 CA ILE A 21 4.614 -4.419 -0.472 1.00 0.00 C ATOM 325 C ILE A 21 6.005 -4.253 -1.079 1.00 0.00 C ATOM 326 O ILE A 21 6.997 -4.154 -0.359 1.00 0.00 O ATOM 327 CB ILE A 21 4.155 -3.072 0.129 1.00 0.00 C ATOM 328 CG1 ILE A 21 4.966 -2.726 1.386 1.00 0.00 C ATOM 329 CG2 ILE A 21 2.666 -3.119 0.444 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.057 -1.706 1.140 1.00 0.00 C ATOM 0 H ILE A 21 5.202 -5.342 1.321 1.00 0.00 H new ATOM 0 HA ILE A 21 3.913 -4.706 -1.256 1.00 0.00 H new ATOM 0 HB ILE A 21 4.332 -2.288 -0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.290 -2.345 2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.414 -3.637 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.353 -2.164 0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.106 -3.311 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.471 -3.915 1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.588 -1.510 2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.756 -2.092 0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.614 -0.780 0.774 1.00 0.00 H new ATOM 342 N VAL A 22 6.067 -4.221 -2.409 1.00 0.00 N ATOM 343 CA VAL A 22 7.332 -4.065 -3.120 1.00 0.00 C ATOM 344 C VAL A 22 7.397 -2.719 -3.840 1.00 0.00 C ATOM 345 O VAL A 22 6.433 -2.291 -4.478 1.00 0.00 O ATOM 346 CB VAL A 22 7.555 -5.198 -4.144 1.00 0.00 C ATOM 347 CG1 VAL A 22 8.856 -4.995 -4.909 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.545 -6.556 -3.456 1.00 0.00 C ATOM 0 H VAL A 22 5.252 -4.301 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 22 8.120 -4.111 -2.369 1.00 0.00 H new ATOM 0 HB VAL A 22 6.734 -5.169 -4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.988 -5.807 -5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.820 -4.045 -5.442 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.692 -4.987 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.704 -7.340 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.341 -6.593 -2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.583 -6.709 -2.966 1.00 0.00 H new ATOM 358 N ALA A 23 8.552 -2.070 -3.740 1.00 0.00 N ATOM 359 CA ALA A 23 8.782 -0.780 -4.382 1.00 0.00 C ATOM 360 C ALA A 23 9.463 -0.978 -5.734 1.00 0.00 C ATOM 361 O ALA A 23 10.560 -1.538 -5.803 1.00 0.00 O ATOM 362 CB ALA A 23 9.628 0.117 -3.484 1.00 0.00 C ATOM 0 H ALA A 23 9.352 -2.421 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 23 7.820 -0.294 -4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.791 1.075 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.110 0.278 -2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.589 -0.361 -3.294 1.00 0.00 H new ATOM 368 N ALA A 24 8.812 -0.529 -6.808 1.00 0.00 N ATOM 369 CA ALA A 24 9.369 -0.676 -8.151 1.00 0.00 C ATOM 370 C ALA A 24 9.285 0.625 -8.944 1.00 0.00 C ATOM 371 O ALA A 24 8.360 1.420 -8.762 1.00 0.00 O ATOM 372 CB ALA A 24 8.659 -1.794 -8.902 1.00 0.00 C ATOM 0 H ALA A 24 7.905 -0.064 -6.774 1.00 0.00 H new ATOM 0 HA ALA A 24 10.423 -0.932 -8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.086 -1.890 -9.900 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.785 -2.732 -8.362 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.597 -1.561 -8.982 1.00 0.00 H new ATOM 378 N LYS A 25 10.258 0.825 -9.831 1.00 0.00 N ATOM 379 CA LYS A 25 10.311 2.020 -10.668 1.00 0.00 C ATOM 380 C LYS A 25 10.374 1.640 -12.148 1.00 0.00 C ATOM 381 O LYS A 25 10.375 0.457 -12.495 1.00 0.00 O ATOM 382 CB LYS A 25 11.524 2.877 -10.292 1.00 0.00 C ATOM 383 CG LYS A 25 11.186 4.341 -10.052 1.00 0.00 C ATOM 384 CD LYS A 25 12.441 5.197 -9.952 1.00 0.00 C ATOM 385 CE LYS A 25 12.333 6.222 -8.831 1.00 0.00 C ATOM 386 NZ LYS A 25 12.267 7.619 -9.348 1.00 0.00 N ATOM 0 H LYS A 25 11.024 0.170 -9.988 1.00 0.00 H new ATOM 0 HA LYS A 25 9.403 2.599 -10.498 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.983 2.467 -9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.266 2.810 -11.088 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.558 4.708 -10.864 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.606 4.435 -9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.306 4.557 -9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.609 5.709 -10.899 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.444 6.014 -8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.191 6.123 -8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.927 8.252 -8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.214 7.921 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.614 7.660 -10.156 1.00 0.00 H new ATOM 400 N GLY A 26 10.429 2.649 -13.015 1.00 0.00 N ATOM 401 CA GLY A 26 10.496 2.403 -14.441 1.00 0.00 C ATOM 402 C GLY A 26 10.940 3.630 -15.199 1.00 0.00 C ATOM 403 O GLY A 26 11.801 4.379 -14.729 1.00 0.00 O ATOM 0 H GLY A 26 10.428 3.634 -12.751 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.188 1.584 -14.637 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.517 2.087 -14.802 1.00 0.00 H new ATOM 407 N ALA A 27 10.347 3.851 -16.364 1.00 0.00 N ATOM 408 CA ALA A 27 10.686 5.011 -17.171 1.00 0.00 C ATOM 409 C ALA A 27 9.572 6.050 -17.114 1.00 0.00 C ATOM 410 O ALA A 27 8.397 5.704 -16.963 1.00 0.00 O ATOM 411 CB ALA A 27 10.971 4.606 -18.610 1.00 0.00 C ATOM 0 H ALA A 27 9.633 3.245 -16.768 1.00 0.00 H new ATOM 0 HA ALA A 27 11.591 5.457 -16.760 1.00 0.00 H new ATOM 0 HB1 ALA A 27 11.222 5.491 -19.194 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.807 3.907 -18.632 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.088 4.129 -19.035 1.00 0.00 H new ATOM 417 N GLY A 28 9.948 7.324 -17.216 1.00 0.00 N ATOM 418 CA GLY A 28 8.966 8.395 -17.153 1.00 0.00 C ATOM 419 C GLY A 28 8.225 8.401 -15.829 1.00 0.00 C ATOM 420 O GLY A 28 7.040 8.736 -15.771 1.00 0.00 O ATOM 0 H GLY A 28 10.912 7.633 -17.341 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.464 9.354 -17.295 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.252 8.282 -17.969 1.00 0.00 H new ATOM 424 N GLN A 29 8.930 8.011 -14.766 1.00 0.00 N ATOM 425 CA GLN A 29 8.347 7.953 -13.434 1.00 0.00 C ATOM 426 C GLN A 29 9.223 8.688 -12.423 1.00 0.00 C ATOM 427 O GLN A 29 10.256 8.170 -11.991 1.00 0.00 O ATOM 428 CB GLN A 29 8.175 6.497 -13.004 1.00 0.00 C ATOM 429 CG GLN A 29 7.020 6.279 -12.041 1.00 0.00 C ATOM 430 CD GLN A 29 5.932 5.401 -12.628 1.00 0.00 C ATOM 431 OE1 GLN A 29 4.748 5.733 -12.559 1.00 0.00 O ATOM 432 NE2 GLN A 29 6.328 4.274 -13.211 1.00 0.00 N ATOM 0 H GLN A 29 9.910 7.730 -14.807 1.00 0.00 H new ATOM 0 HA GLN A 29 7.373 8.441 -13.466 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.019 5.881 -13.890 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.097 6.154 -12.535 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.396 5.823 -11.125 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.594 7.244 -11.765 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.320 4.039 -13.245 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.640 3.644 -13.624 1.00 0.00 H new ATOM 441 N ASP A 30 8.803 9.892 -12.040 1.00 0.00 N ATOM 442 CA ASP A 30 9.551 10.687 -11.069 1.00 0.00 C ATOM 443 C ASP A 30 9.080 10.403 -9.639 1.00 0.00 C ATOM 444 O ASP A 30 9.282 11.218 -8.736 1.00 0.00 O ATOM 445 CB ASP A 30 9.414 12.182 -11.385 1.00 0.00 C ATOM 446 CG ASP A 30 10.663 12.977 -11.039 1.00 0.00 C ATOM 447 OD1 ASP A 30 11.483 12.483 -10.235 1.00 0.00 O ATOM 448 OD2 ASP A 30 10.819 14.095 -11.573 1.00 0.00 O ATOM 0 H ASP A 30 7.953 10.337 -12.385 1.00 0.00 H new ATOM 0 HA ASP A 30 10.601 10.404 -11.141 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.193 12.305 -12.445 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.566 12.589 -10.833 1.00 0.00 H new ATOM 453 N LYS A 31 8.452 9.241 -9.442 1.00 0.00 N ATOM 454 CA LYS A 31 7.951 8.839 -8.130 1.00 0.00 C ATOM 455 C LYS A 31 8.156 7.338 -7.915 1.00 0.00 C ATOM 456 O LYS A 31 8.868 6.685 -8.682 1.00 0.00 O ATOM 457 CB LYS A 31 6.463 9.194 -7.997 1.00 0.00 C ATOM 458 CG LYS A 31 6.088 10.528 -8.630 1.00 0.00 C ATOM 459 CD LYS A 31 5.289 10.338 -9.911 1.00 0.00 C ATOM 460 CE LYS A 31 4.760 11.662 -10.446 1.00 0.00 C ATOM 461 NZ LYS A 31 4.603 11.643 -11.928 1.00 0.00 N ATOM 0 H LYS A 31 8.279 8.560 -10.181 1.00 0.00 H new ATOM 0 HA LYS A 31 8.511 9.379 -7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.869 8.405 -8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.198 9.217 -6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.505 11.116 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.993 11.095 -8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.918 9.866 -10.666 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.455 9.662 -9.723 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.798 11.882 -9.982 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.441 12.465 -10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.241 12.563 -12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.525 11.459 -12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.933 10.894 -12.197 1.00 0.00 H new ATOM 475 N LEU A 32 7.530 6.794 -6.871 1.00 0.00 N ATOM 476 CA LEU A 32 7.646 5.371 -6.566 1.00 0.00 C ATOM 477 C LEU A 32 6.318 4.812 -6.066 1.00 0.00 C ATOM 478 O LEU A 32 5.751 5.311 -5.092 1.00 0.00 O ATOM 479 CB LEU A 32 8.740 5.133 -5.522 1.00 0.00 C ATOM 480 CG LEU A 32 9.357 3.732 -5.546 1.00 0.00 C ATOM 481 CD1 LEU A 32 10.052 3.474 -6.877 1.00 0.00 C ATOM 482 CD2 LEU A 32 10.330 3.558 -4.388 1.00 0.00 C ATOM 0 H LEU A 32 6.939 7.317 -6.225 1.00 0.00 H new ATOM 0 HA LEU A 32 7.916 4.851 -7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.532 5.866 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.323 5.314 -4.531 1.00 0.00 H new ATOM 0 HG LEU A 32 8.556 3.001 -5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.484 2.473 -6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.327 3.554 -7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.843 4.210 -7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.759 2.557 -4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.127 4.297 -4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.801 3.696 -3.445 1.00 0.00 H new ATOM 494 N GLY A 33 5.829 3.774 -6.741 1.00 0.00 N ATOM 495 CA GLY A 33 4.574 3.162 -6.353 1.00 0.00 C ATOM 496 C GLY A 33 4.773 1.939 -5.480 1.00 0.00 C ATOM 497 O GLY A 33 5.358 0.949 -5.919 1.00 0.00 O ATOM 0 H GLY A 33 6.282 3.348 -7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.967 3.892 -5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.019 2.880 -7.247 1.00 0.00 H new ATOM 501 N ILE A 34 4.285 2.004 -4.241 1.00 0.00 N ATOM 502 CA ILE A 34 4.412 0.886 -3.310 1.00 0.00 C ATOM 503 C ILE A 34 3.385 -0.196 -3.634 1.00 0.00 C ATOM 504 O ILE A 34 2.281 -0.203 -3.092 1.00 0.00 O ATOM 505 CB ILE A 34 4.239 1.342 -1.844 1.00 0.00 C ATOM 506 CG1 ILE A 34 5.129 2.553 -1.548 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.558 0.202 -0.888 1.00 0.00 C ATOM 508 CD1 ILE A 34 6.612 2.281 -1.709 1.00 0.00 C ATOM 0 H ILE A 34 3.800 2.817 -3.861 1.00 0.00 H new ATOM 0 HA ILE A 34 5.417 0.480 -3.424 1.00 0.00 H new ATOM 0 HB ILE A 34 3.199 1.634 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.846 3.370 -2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.940 2.890 -0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.431 0.542 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.884 -0.633 -1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.588 -0.121 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.175 3.186 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.912 1.486 -1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.816 1.974 -2.735 1.00 0.00 H new ATOM 520 N TYR A 35 3.756 -1.098 -4.536 1.00 0.00 N ATOM 521 CA TYR A 35 2.869 -2.180 -4.956 1.00 0.00 C ATOM 522 C TYR A 35 2.763 -3.267 -3.890 1.00 0.00 C ATOM 523 O TYR A 35 3.601 -3.355 -2.994 1.00 0.00 O ATOM 524 CB TYR A 35 3.367 -2.785 -6.270 1.00 0.00 C ATOM 525 CG TYR A 35 3.527 -1.771 -7.381 1.00 0.00 C ATOM 526 CD1 TYR A 35 2.421 -1.282 -8.063 1.00 0.00 C ATOM 527 CD2 TYR A 35 4.783 -1.301 -7.746 1.00 0.00 C ATOM 528 CE1 TYR A 35 2.560 -0.356 -9.077 1.00 0.00 C ATOM 529 CE2 TYR A 35 4.931 -0.374 -8.760 1.00 0.00 C ATOM 530 CZ TYR A 35 3.816 0.095 -9.422 1.00 0.00 C ATOM 531 OH TYR A 35 3.959 1.016 -10.436 1.00 0.00 O ATOM 0 H TYR A 35 4.668 -1.102 -4.993 1.00 0.00 H new ATOM 0 HA TYR A 35 1.875 -1.757 -5.102 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.325 -3.274 -6.095 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.669 -3.558 -6.592 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.435 -1.632 -7.796 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.658 -1.666 -7.229 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.689 0.013 -9.598 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.914 -0.019 -9.032 1.00 0.00 H new ATOM 0 HH TYR A 35 4.908 1.230 -10.552 1.00 0.00 H new ATOM 541 N VAL A 36 1.726 -4.097 -4.001 1.00 0.00 N ATOM 542 CA VAL A 36 1.505 -5.187 -3.054 1.00 0.00 C ATOM 543 C VAL A 36 1.891 -6.529 -3.671 1.00 0.00 C ATOM 544 O VAL A 36 1.192 -7.046 -4.545 1.00 0.00 O ATOM 545 CB VAL A 36 0.033 -5.251 -2.591 1.00 0.00 C ATOM 546 CG1 VAL A 36 -0.149 -6.320 -1.522 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.431 -3.894 -2.079 1.00 0.00 C ATOM 0 H VAL A 36 1.025 -4.034 -4.739 1.00 0.00 H new ATOM 0 HA VAL A 36 2.136 -4.987 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.582 -5.519 -3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.193 -6.348 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.135 -7.291 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.480 -6.087 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.470 -3.962 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.190 -3.592 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.345 -3.156 -2.876 1.00 0.00 H new ATOM 557 N LYS A 37 3.004 -7.089 -3.202 1.00 0.00 N ATOM 558 CA LYS A 37 3.489 -8.376 -3.694 1.00 0.00 C ATOM 559 C LYS A 37 2.482 -9.486 -3.398 1.00 0.00 C ATOM 560 O LYS A 37 2.162 -10.292 -4.274 1.00 0.00 O ATOM 561 CB LYS A 37 4.838 -8.716 -3.053 1.00 0.00 C ATOM 562 CG LYS A 37 5.704 -9.633 -3.903 1.00 0.00 C ATOM 563 CD LYS A 37 7.110 -9.764 -3.335 1.00 0.00 C ATOM 564 CE LYS A 37 7.628 -11.191 -3.446 1.00 0.00 C ATOM 565 NZ LYS A 37 8.951 -11.363 -2.780 1.00 0.00 N ATOM 0 H LYS A 37 3.589 -6.670 -2.479 1.00 0.00 H new ATOM 0 HA LYS A 37 3.615 -8.299 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.383 -7.791 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.662 -9.189 -2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.242 -10.618 -3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.757 -9.244 -4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.782 -9.090 -3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.111 -9.456 -2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.906 -11.874 -2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.714 -11.464 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.265 -12.349 -2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.648 -10.731 -3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.865 -11.129 -1.770 1.00 0.00 H new ATOM 579 N SER A 38 1.985 -9.522 -2.159 1.00 0.00 N ATOM 580 CA SER A 38 1.014 -10.535 -1.752 1.00 0.00 C ATOM 581 C SER A 38 0.522 -10.286 -0.328 1.00 0.00 C ATOM 582 O SER A 38 1.309 -9.966 0.564 1.00 0.00 O ATOM 583 CB SER A 38 1.623 -11.941 -1.852 1.00 0.00 C ATOM 584 OG SER A 38 3.018 -11.922 -1.597 1.00 0.00 O ATOM 0 H SER A 38 2.239 -8.862 -1.424 1.00 0.00 H new ATOM 0 HA SER A 38 0.163 -10.467 -2.430 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.131 -12.603 -1.140 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.439 -12.349 -2.846 1.00 0.00 H new ATOM 0 HG SER A 38 3.376 -12.832 -1.667 1.00 0.00 H new ATOM 590 N VAL A 39 -0.784 -10.449 -0.122 1.00 0.00 N ATOM 591 CA VAL A 39 -1.383 -10.258 1.196 1.00 0.00 C ATOM 592 C VAL A 39 -1.322 -11.552 2.004 1.00 0.00 C ATOM 593 O VAL A 39 -1.571 -12.636 1.474 1.00 0.00 O ATOM 594 CB VAL A 39 -2.851 -9.785 1.092 1.00 0.00 C ATOM 595 CG1 VAL A 39 -3.390 -9.395 2.461 1.00 0.00 C ATOM 596 CG2 VAL A 39 -2.974 -8.619 0.120 1.00 0.00 C ATOM 0 H VAL A 39 -1.447 -10.713 -0.851 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.808 -9.484 1.703 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.447 -10.614 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.424 -9.065 2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.344 -10.255 3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.788 -8.585 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.015 -8.302 0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.361 -7.788 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.634 -8.931 -0.868 1.00 0.00 H new ATOM 606 N VAL A 40 -0.985 -11.432 3.285 1.00 0.00 N ATOM 607 CA VAL A 40 -0.887 -12.593 4.166 1.00 0.00 C ATOM 608 C VAL A 40 -2.274 -13.087 4.571 1.00 0.00 C ATOM 609 O VAL A 40 -3.185 -12.291 4.806 1.00 0.00 O ATOM 610 CB VAL A 40 -0.063 -12.275 5.437 1.00 0.00 C ATOM 611 CG1 VAL A 40 0.111 -13.519 6.295 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.294 -11.690 5.069 1.00 0.00 C ATOM 0 H VAL A 40 -0.775 -10.542 3.737 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.375 -13.376 3.607 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.612 -11.533 6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.693 -13.270 7.182 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.868 -13.893 6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.632 -14.286 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.856 -11.474 5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.847 -12.407 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.152 -10.769 4.503 1.00 0.00 H new ATOM 622 N LYS A 41 -2.426 -14.408 4.647 1.00 0.00 N ATOM 623 CA LYS A 41 -3.700 -15.017 5.019 1.00 0.00 C ATOM 624 C LYS A 41 -4.104 -14.630 6.439 1.00 0.00 C ATOM 625 O LYS A 41 -3.252 -14.338 7.281 1.00 0.00 O ATOM 626 CB LYS A 41 -3.618 -16.539 4.901 1.00 0.00 C ATOM 627 CG LYS A 41 -4.413 -17.102 3.734 1.00 0.00 C ATOM 628 CD LYS A 41 -5.878 -17.306 4.098 1.00 0.00 C ATOM 629 CE LYS A 41 -6.806 -16.709 3.048 1.00 0.00 C ATOM 630 NZ LYS A 41 -7.220 -15.320 3.392 1.00 0.00 N ATOM 0 H LYS A 41 -1.681 -15.077 4.455 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.459 -14.644 4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.573 -16.831 4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.980 -16.987 5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.340 -16.425 2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.979 -18.052 3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.083 -18.372 4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.080 -16.847 5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.305 -16.708 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.691 -17.337 2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.204 -15.324 3.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.600 -14.948 4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.146 -14.717 2.548 1.00 0.00 H new ATOM 644 N GLY A 42 -5.411 -14.631 6.693 1.00 0.00 N ATOM 645 CA GLY A 42 -5.918 -14.277 8.008 1.00 0.00 C ATOM 646 C GLY A 42 -5.684 -12.816 8.362 1.00 0.00 C ATOM 647 O GLY A 42 -5.728 -12.447 9.536 1.00 0.00 O ATOM 0 H GLY A 42 -6.129 -14.871 6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.987 -14.488 8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.440 -14.908 8.757 1.00 0.00 H new ATOM 651 N GLY A 43 -5.438 -11.983 7.348 1.00 0.00 N ATOM 652 CA GLY A 43 -5.204 -10.570 7.585 1.00 0.00 C ATOM 653 C GLY A 43 -6.488 -9.759 7.569 1.00 0.00 C ATOM 654 O GLY A 43 -7.575 -10.302 7.776 1.00 0.00 O ATOM 0 H GLY A 43 -5.397 -12.265 6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.709 -10.443 8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.525 -10.185 6.825 1.00 0.00 H new ATOM 658 N ALA A 44 -6.363 -8.455 7.324 1.00 0.00 N ATOM 659 CA ALA A 44 -7.523 -7.566 7.286 1.00 0.00 C ATOM 660 C ALA A 44 -8.009 -7.330 5.855 1.00 0.00 C ATOM 661 O ALA A 44 -9.209 -7.202 5.617 1.00 0.00 O ATOM 662 CB ALA A 44 -7.192 -6.241 7.957 1.00 0.00 C ATOM 0 H ALA A 44 -5.471 -7.992 7.149 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.331 -8.052 7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.064 -5.588 7.922 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.913 -6.419 8.996 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.362 -5.766 7.435 1.00 0.00 H new ATOM 668 N ALA A 45 -7.072 -7.273 4.908 1.00 0.00 N ATOM 669 CA ALA A 45 -7.413 -7.052 3.502 1.00 0.00 C ATOM 670 C ALA A 45 -7.744 -8.366 2.796 1.00 0.00 C ATOM 671 O ALA A 45 -8.587 -8.401 1.898 1.00 0.00 O ATOM 672 CB ALA A 45 -6.273 -6.340 2.784 1.00 0.00 C ATOM 0 H ALA A 45 -6.073 -7.376 5.088 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.301 -6.421 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.542 -6.183 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.089 -5.377 3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.371 -6.950 2.838 1.00 0.00 H new ATOM 678 N ASP A 46 -7.073 -9.444 3.202 1.00 0.00 N ATOM 679 CA ASP A 46 -7.293 -10.758 2.603 1.00 0.00 C ATOM 680 C ASP A 46 -8.705 -11.272 2.881 1.00 0.00 C ATOM 681 O ASP A 46 -9.343 -11.852 2.002 1.00 0.00 O ATOM 682 CB ASP A 46 -6.263 -11.761 3.130 1.00 0.00 C ATOM 683 CG ASP A 46 -5.703 -12.645 2.033 1.00 0.00 C ATOM 684 OD1 ASP A 46 -6.491 -13.380 1.400 1.00 0.00 O ATOM 685 OD2 ASP A 46 -4.476 -12.607 1.811 1.00 0.00 O ATOM 0 H ASP A 46 -6.373 -9.432 3.943 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.177 -10.652 1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.447 -11.221 3.610 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.726 -12.385 3.895 1.00 0.00 H new ATOM 690 N VAL A 47 -9.186 -11.063 4.105 1.00 0.00 N ATOM 691 CA VAL A 47 -10.522 -11.517 4.487 1.00 0.00 C ATOM 692 C VAL A 47 -11.605 -10.559 3.986 1.00 0.00 C ATOM 693 O VAL A 47 -12.652 -10.996 3.506 1.00 0.00 O ATOM 694 CB VAL A 47 -10.651 -11.673 6.018 1.00 0.00 C ATOM 695 CG1 VAL A 47 -11.981 -12.319 6.385 1.00 0.00 C ATOM 696 CG2 VAL A 47 -9.488 -12.483 6.578 1.00 0.00 C ATOM 0 H VAL A 47 -8.674 -10.585 4.846 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.665 -12.490 4.018 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.620 -10.679 6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.050 -12.419 7.468 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.800 -11.696 6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.046 -13.305 5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.599 -12.580 7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.482 -13.473 6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.550 -11.975 6.354 1.00 0.00 H new ATOM 706 N ASP A 48 -11.351 -9.256 4.103 1.00 0.00 N ATOM 707 CA ASP A 48 -12.311 -8.243 3.664 1.00 0.00 C ATOM 708 C ASP A 48 -12.583 -8.347 2.164 1.00 0.00 C ATOM 709 O ASP A 48 -13.735 -8.467 1.742 1.00 0.00 O ATOM 710 CB ASP A 48 -11.797 -6.837 3.993 1.00 0.00 C ATOM 711 CG ASP A 48 -12.333 -6.313 5.311 1.00 0.00 C ATOM 712 OD1 ASP A 48 -12.108 -6.971 6.349 1.00 0.00 O ATOM 713 OD2 ASP A 48 -12.974 -5.241 5.306 1.00 0.00 O ATOM 0 H ASP A 48 -10.490 -8.877 4.497 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.243 -8.423 4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.708 -6.852 4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.081 -6.154 3.192 1.00 0.00 H new ATOM 718 N GLY A 49 -11.518 -8.292 1.367 1.00 0.00 N ATOM 719 CA GLY A 49 -11.660 -8.373 -0.076 1.00 0.00 C ATOM 720 C GLY A 49 -11.646 -7.007 -0.737 1.00 0.00 C ATOM 721 O GLY A 49 -12.520 -6.696 -1.547 1.00 0.00 O ATOM 0 H GLY A 49 -10.558 -8.193 1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.851 -8.979 -0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.593 -8.881 -0.318 1.00 0.00 H new ATOM 725 N ARG A 50 -10.650 -6.192 -0.393 1.00 0.00 N ATOM 726 CA ARG A 50 -10.522 -4.852 -0.963 1.00 0.00 C ATOM 727 C ARG A 50 -9.387 -4.807 -1.982 1.00 0.00 C ATOM 728 O ARG A 50 -9.603 -4.474 -3.149 1.00 0.00 O ATOM 729 CB ARG A 50 -10.276 -3.813 0.138 1.00 0.00 C ATOM 730 CG ARG A 50 -11.398 -3.719 1.159 1.00 0.00 C ATOM 731 CD ARG A 50 -12.538 -2.847 0.659 1.00 0.00 C ATOM 732 NE ARG A 50 -13.649 -2.803 1.609 1.00 0.00 N ATOM 733 CZ ARG A 50 -14.557 -3.773 1.744 1.00 0.00 C ATOM 734 NH1 ARG A 50 -14.491 -4.869 0.991 1.00 0.00 N ATOM 735 NH2 ARG A 50 -15.532 -3.647 2.638 1.00 0.00 N ATOM 0 H ARG A 50 -9.921 -6.436 0.277 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.458 -4.612 -1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.348 -4.058 0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.135 -2.836 -0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.774 -4.718 1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.009 -3.311 2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.171 -1.836 0.483 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.894 -3.228 -0.298 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.736 -1.980 2.206 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.743 -4.972 0.305 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.188 -5.605 1.100 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.586 -2.811 3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.227 -4.387 2.743 1.00 0.00 H new ATOM 749 N LEU A 51 -8.180 -5.149 -1.534 1.00 0.00 N ATOM 750 CA LEU A 51 -7.009 -5.155 -2.406 1.00 0.00 C ATOM 751 C LEU A 51 -6.437 -6.566 -2.531 1.00 0.00 C ATOM 752 O LEU A 51 -6.545 -7.373 -1.605 1.00 0.00 O ATOM 753 CB LEU A 51 -5.937 -4.197 -1.872 1.00 0.00 C ATOM 754 CG LEU A 51 -5.422 -4.510 -0.464 1.00 0.00 C ATOM 755 CD1 LEU A 51 -4.154 -5.349 -0.529 1.00 0.00 C ATOM 756 CD2 LEU A 51 -5.172 -3.224 0.311 1.00 0.00 C ATOM 0 H LEU A 51 -7.988 -5.426 -0.571 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.320 -4.817 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.092 -4.204 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.343 -3.185 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.186 -5.085 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.805 -5.560 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.364 -6.287 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.383 -4.802 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.807 -3.466 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.428 -2.623 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.102 -2.661 0.392 1.00 0.00 H new ATOM 768 N ALA A 52 -5.833 -6.857 -3.681 1.00 0.00 N ATOM 769 CA ALA A 52 -5.246 -8.170 -3.931 1.00 0.00 C ATOM 770 C ALA A 52 -3.767 -8.053 -4.297 1.00 0.00 C ATOM 771 O ALA A 52 -3.196 -6.962 -4.269 1.00 0.00 O ATOM 772 CB ALA A 52 -6.012 -8.884 -5.038 1.00 0.00 C ATOM 0 H ALA A 52 -5.738 -6.200 -4.455 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.319 -8.755 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.566 -9.862 -5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.053 -9.009 -4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.966 -8.292 -5.952 1.00 0.00 H new ATOM 778 N ALA A 53 -3.153 -9.185 -4.643 1.00 0.00 N ATOM 779 CA ALA A 53 -1.742 -9.208 -5.019 1.00 0.00 C ATOM 780 C ALA A 53 -1.531 -8.575 -6.394 1.00 0.00 C ATOM 781 O ALA A 53 -2.234 -8.903 -7.352 1.00 0.00 O ATOM 782 CB ALA A 53 -1.211 -10.633 -5.005 1.00 0.00 C ATOM 0 H ALA A 53 -3.611 -10.096 -4.670 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.188 -8.621 -4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.158 -10.632 -5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.318 -11.051 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.776 -11.239 -5.713 1.00 0.00 H new ATOM 788 N GLY A 54 -0.563 -7.666 -6.482 1.00 0.00 N ATOM 789 CA GLY A 54 -0.276 -6.997 -7.740 1.00 0.00 C ATOM 790 C GLY A 54 -0.978 -5.654 -7.865 1.00 0.00 C ATOM 791 O GLY A 54 -1.267 -5.202 -8.974 1.00 0.00 O ATOM 0 H GLY A 54 0.029 -7.380 -5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.800 -6.849 -7.831 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.581 -7.640 -8.566 1.00 0.00 H new ATOM 795 N ASP A 55 -1.249 -5.014 -6.727 1.00 0.00 N ATOM 796 CA ASP A 55 -1.916 -3.715 -6.714 1.00 0.00 C ATOM 797 C ASP A 55 -0.908 -2.590 -6.471 1.00 0.00 C ATOM 798 O ASP A 55 0.256 -2.850 -6.164 1.00 0.00 O ATOM 799 CB ASP A 55 -3.005 -3.692 -5.637 1.00 0.00 C ATOM 800 CG ASP A 55 -4.341 -4.199 -6.150 1.00 0.00 C ATOM 801 OD1 ASP A 55 -4.384 -5.333 -6.674 1.00 0.00 O ATOM 802 OD2 ASP A 55 -5.344 -3.466 -6.024 1.00 0.00 O ATOM 0 H ASP A 55 -1.016 -5.376 -5.802 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.378 -3.556 -7.688 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.688 -4.303 -4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.124 -2.674 -5.267 1.00 0.00 H new ATOM 807 N GLN A 56 -1.361 -1.341 -6.613 1.00 0.00 N ATOM 808 CA GLN A 56 -0.493 -0.178 -6.410 1.00 0.00 C ATOM 809 C GLN A 56 -1.023 0.723 -5.293 1.00 0.00 C ATOM 810 O GLN A 56 -2.225 0.978 -5.208 1.00 0.00 O ATOM 811 CB GLN A 56 -0.370 0.625 -7.709 1.00 0.00 C ATOM 812 CG GLN A 56 0.636 1.766 -7.631 1.00 0.00 C ATOM 813 CD GLN A 56 -0.018 3.131 -7.509 1.00 0.00 C ATOM 814 OE1 GLN A 56 -1.243 3.248 -7.449 1.00 0.00 O ATOM 815 NE2 GLN A 56 0.802 4.175 -7.472 1.00 0.00 N ATOM 0 H GLN A 56 -2.321 -1.110 -6.867 1.00 0.00 H new ATOM 0 HA GLN A 56 0.491 -0.544 -6.116 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.080 -0.048 -8.516 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.348 1.031 -7.968 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.292 1.606 -6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.265 1.749 -8.521 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.811 4.033 -7.525 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.423 5.119 -7.391 1.00 0.00 H new ATOM 824 N LEU A 57 -0.114 1.209 -4.446 1.00 0.00 N ATOM 825 CA LEU A 57 -0.486 2.090 -3.337 1.00 0.00 C ATOM 826 C LEU A 57 -0.183 3.551 -3.667 1.00 0.00 C ATOM 827 O LEU A 57 0.599 3.845 -4.575 1.00 0.00 O ATOM 828 CB LEU A 57 0.258 1.697 -2.056 1.00 0.00 C ATOM 829 CG LEU A 57 -0.135 0.347 -1.449 1.00 0.00 C ATOM 830 CD1 LEU A 57 0.860 -0.052 -0.368 1.00 0.00 C ATOM 831 CD2 LEU A 57 -1.546 0.405 -0.882 1.00 0.00 C ATOM 0 H LEU A 57 0.884 1.008 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.559 1.978 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.327 1.682 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.092 2.473 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.115 -0.407 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.570 -1.013 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.856 -0.133 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.867 0.704 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.807 -0.564 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.595 1.169 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.248 0.652 -1.678 1.00 0.00 H new ATOM 843 N LEU A 58 -0.800 4.462 -2.915 1.00 0.00 N ATOM 844 CA LEU A 58 -0.596 5.896 -3.114 1.00 0.00 C ATOM 845 C LEU A 58 -0.548 6.638 -1.778 1.00 0.00 C ATOM 846 O LEU A 58 0.398 7.380 -1.508 1.00 0.00 O ATOM 847 CB LEU A 58 -1.705 6.478 -3.995 1.00 0.00 C ATOM 848 CG LEU A 58 -1.340 6.637 -5.474 1.00 0.00 C ATOM 849 CD1 LEU A 58 -2.472 6.143 -6.361 1.00 0.00 C ATOM 850 CD2 LEU A 58 -1.008 8.089 -5.789 1.00 0.00 C ATOM 0 H LEU A 58 -1.447 4.231 -2.161 1.00 0.00 H new ATOM 0 HA LEU A 58 0.363 6.029 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.583 5.836 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.989 7.453 -3.599 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.457 6.031 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.193 6.264 -7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.662 5.089 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.373 6.721 -6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.751 8.183 -6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.872 8.716 -5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.163 8.409 -5.180 1.00 0.00 H new ATOM 862 N SER A 59 -1.575 6.440 -0.948 1.00 0.00 N ATOM 863 CA SER A 59 -1.645 7.100 0.354 1.00 0.00 C ATOM 864 C SER A 59 -1.796 6.091 1.492 1.00 0.00 C ATOM 865 O SER A 59 -2.361 5.010 1.311 1.00 0.00 O ATOM 866 CB SER A 59 -2.805 8.096 0.384 1.00 0.00 C ATOM 867 OG SER A 59 -2.472 9.284 -0.313 1.00 0.00 O ATOM 0 H SER A 59 -2.366 5.830 -1.155 1.00 0.00 H new ATOM 0 HA SER A 59 -0.706 7.634 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.690 7.643 -0.064 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.057 8.335 1.417 1.00 0.00 H new ATOM 0 HG SER A 59 -3.229 9.905 -0.282 1.00 0.00 H new ATOM 873 N VAL A 60 -1.287 6.463 2.668 1.00 0.00 N ATOM 874 CA VAL A 60 -1.357 5.608 3.850 1.00 0.00 C ATOM 875 C VAL A 60 -1.677 6.431 5.095 1.00 0.00 C ATOM 876 O VAL A 60 -1.073 7.482 5.326 1.00 0.00 O ATOM 877 CB VAL A 60 -0.033 4.853 4.078 1.00 0.00 C ATOM 878 CG1 VAL A 60 -0.183 3.825 5.192 1.00 0.00 C ATOM 879 CG2 VAL A 60 0.435 4.189 2.791 1.00 0.00 C ATOM 0 H VAL A 60 -0.820 7.356 2.825 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.153 4.884 3.674 1.00 0.00 H new ATOM 0 HB VAL A 60 0.724 5.576 4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.763 3.304 5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.464 4.329 6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.956 3.106 4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.371 3.661 2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.321 3.481 2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.590 4.949 2.025 1.00 0.00 H new ATOM 889 N ASP A 61 -2.629 5.945 5.891 1.00 0.00 N ATOM 890 CA ASP A 61 -3.044 6.628 7.118 1.00 0.00 C ATOM 891 C ASP A 61 -3.432 8.086 6.836 1.00 0.00 C ATOM 892 O ASP A 61 -3.149 8.982 7.634 1.00 0.00 O ATOM 893 CB ASP A 61 -1.923 6.564 8.167 1.00 0.00 C ATOM 894 CG ASP A 61 -1.982 5.307 9.022 1.00 0.00 C ATOM 895 OD1 ASP A 61 -2.604 4.313 8.585 1.00 0.00 O ATOM 896 OD2 ASP A 61 -1.403 5.317 10.128 1.00 0.00 O ATOM 0 H ASP A 61 -3.130 5.076 5.707 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.923 6.117 7.510 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.958 6.609 7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.986 7.440 8.813 1.00 0.00 H new ATOM 901 N GLY A 62 -4.084 8.311 5.692 1.00 0.00 N ATOM 902 CA GLY A 62 -4.506 9.653 5.317 1.00 0.00 C ATOM 903 C GLY A 62 -3.349 10.560 4.918 1.00 0.00 C ATOM 904 O GLY A 62 -3.443 11.781 5.049 1.00 0.00 O ATOM 0 H GLY A 62 -4.327 7.585 5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.209 9.586 4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.041 10.105 6.152 1.00 0.00 H new ATOM 908 N ARG A 63 -2.259 9.967 4.424 1.00 0.00 N ATOM 909 CA ARG A 63 -1.090 10.738 4.000 1.00 0.00 C ATOM 910 C ARG A 63 -0.664 10.341 2.591 1.00 0.00 C ATOM 911 O ARG A 63 -0.824 9.189 2.191 1.00 0.00 O ATOM 912 CB ARG A 63 0.078 10.528 4.968 1.00 0.00 C ATOM 913 CG ARG A 63 -0.119 11.198 6.319 1.00 0.00 C ATOM 914 CD ARG A 63 0.715 10.533 7.406 1.00 0.00 C ATOM 915 NE ARG A 63 1.994 11.214 7.612 1.00 0.00 N ATOM 916 CZ ARG A 63 3.093 10.986 6.886 1.00 0.00 C ATOM 917 NH1 ARG A 63 3.084 10.082 5.910 1.00 0.00 N ATOM 918 NH2 ARG A 63 4.208 11.661 7.143 1.00 0.00 N ATOM 0 H ARG A 63 -2.163 8.958 4.308 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.367 11.792 4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.224 9.459 5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.990 10.912 4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.152 12.251 6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.173 11.159 6.594 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.154 10.527 8.340 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.898 9.493 7.137 1.00 0.00 H new ATOM 0 HE ARG A 63 2.050 11.907 8.358 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.233 9.556 5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.928 9.915 5.362 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.224 12.352 7.893 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.048 11.488 6.590 1.00 0.00 H new ATOM 932 N SER A 64 -0.117 11.300 1.846 1.00 0.00 N ATOM 933 CA SER A 64 0.334 11.047 0.480 1.00 0.00 C ATOM 934 C SER A 64 1.791 10.590 0.461 1.00 0.00 C ATOM 935 O SER A 64 2.641 11.163 1.144 1.00 0.00 O ATOM 936 CB SER A 64 0.169 12.302 -0.382 1.00 0.00 C ATOM 937 OG SER A 64 -1.167 12.775 -0.345 1.00 0.00 O ATOM 0 H SER A 64 0.024 12.258 2.166 1.00 0.00 H new ATOM 0 HA SER A 64 -0.284 10.250 0.066 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.844 13.081 -0.028 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.451 12.080 -1.411 1.00 0.00 H new ATOM 0 HG SER A 64 -1.245 13.578 -0.902 1.00 0.00 H new ATOM 943 N LEU A 65 2.070 9.553 -0.327 1.00 0.00 N ATOM 944 CA LEU A 65 3.424 9.016 -0.438 1.00 0.00 C ATOM 945 C LEU A 65 3.835 8.868 -1.901 1.00 0.00 C ATOM 946 O LEU A 65 4.315 7.812 -2.321 1.00 0.00 O ATOM 947 CB LEU A 65 3.525 7.668 0.282 1.00 0.00 C ATOM 948 CG LEU A 65 3.185 7.699 1.774 1.00 0.00 C ATOM 949 CD1 LEU A 65 1.747 7.259 2.004 1.00 0.00 C ATOM 950 CD2 LEU A 65 4.149 6.821 2.559 1.00 0.00 C ATOM 0 H LEU A 65 1.377 9.069 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 65 4.107 9.720 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.859 6.960 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.539 7.287 0.165 1.00 0.00 H new ATOM 0 HG LEU A 65 3.289 8.724 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.524 7.288 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.072 7.931 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.614 6.243 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.892 6.855 3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.079 5.794 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.167 7.185 2.421 1.00 0.00 H new ATOM 962 N VAL A 66 3.648 9.937 -2.675 1.00 0.00 N ATOM 963 CA VAL A 66 4.003 9.929 -4.088 1.00 0.00 C ATOM 964 C VAL A 66 5.408 10.487 -4.299 1.00 0.00 C ATOM 965 O VAL A 66 5.616 11.702 -4.313 1.00 0.00 O ATOM 966 CB VAL A 66 2.990 10.730 -4.931 1.00 0.00 C ATOM 967 CG1 VAL A 66 3.488 10.903 -6.360 1.00 0.00 C ATOM 968 CG2 VAL A 66 1.636 10.039 -4.912 1.00 0.00 C ATOM 0 H VAL A 66 3.253 10.817 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 66 3.980 8.891 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 66 2.883 11.723 -4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.756 11.471 -6.934 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.438 11.438 -6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.627 9.924 -6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.927 10.612 -5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.734 9.036 -5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.275 9.973 -3.885 1.00 0.00 H new ATOM 978 N GLY A 67 6.363 9.579 -4.456 1.00 0.00 N ATOM 979 CA GLY A 67 7.748 9.971 -4.662 1.00 0.00 C ATOM 980 C GLY A 67 8.608 9.750 -3.429 1.00 0.00 C ATOM 981 O GLY A 67 9.521 10.531 -3.154 1.00 0.00 O ATOM 0 H GLY A 67 6.204 8.572 -4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.162 9.404 -5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.786 11.024 -4.943 1.00 0.00 H new ATOM 985 N LEU A 68 8.315 8.682 -2.689 1.00 0.00 N ATOM 986 CA LEU A 68 9.061 8.351 -1.480 1.00 0.00 C ATOM 987 C LEU A 68 9.666 6.954 -1.583 1.00 0.00 C ATOM 988 O LEU A 68 9.146 6.093 -2.295 1.00 0.00 O ATOM 989 CB LEU A 68 8.147 8.423 -0.253 1.00 0.00 C ATOM 990 CG LEU A 68 7.865 9.830 0.277 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.020 9.758 1.540 1.00 0.00 C ATOM 992 CD2 LEU A 68 9.165 10.578 0.544 1.00 0.00 C ATOM 0 H LEU A 68 7.562 8.029 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 68 9.867 9.077 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.197 7.950 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.596 7.835 0.548 1.00 0.00 H new ATOM 0 HG LEU A 68 7.309 10.379 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.827 10.766 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.074 9.265 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.553 9.191 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.940 11.576 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.752 10.035 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.735 10.659 -0.382 1.00 0.00 H new ATOM 1004 N SER A 69 10.761 6.733 -0.859 1.00 0.00 N ATOM 1005 CA SER A 69 11.430 5.436 -0.859 1.00 0.00 C ATOM 1006 C SER A 69 10.642 4.428 -0.026 1.00 0.00 C ATOM 1007 O SER A 69 9.848 4.812 0.837 1.00 0.00 O ATOM 1008 CB SER A 69 12.851 5.570 -0.307 1.00 0.00 C ATOM 1009 OG SER A 69 13.680 6.288 -1.205 1.00 0.00 O ATOM 0 H SER A 69 11.203 7.435 -0.266 1.00 0.00 H new ATOM 0 HA SER A 69 11.482 5.077 -1.887 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.824 6.080 0.656 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.271 4.580 -0.131 1.00 0.00 H new ATOM 0 HG SER A 69 14.582 6.362 -0.829 1.00 0.00 H new ATOM 1015 N GLN A 70 10.862 3.141 -0.288 1.00 0.00 N ATOM 1016 CA GLN A 70 10.168 2.079 0.442 1.00 0.00 C ATOM 1017 C GLN A 70 10.403 2.182 1.952 1.00 0.00 C ATOM 1018 O GLN A 70 9.580 1.718 2.738 1.00 0.00 O ATOM 1019 CB GLN A 70 10.615 0.703 -0.055 1.00 0.00 C ATOM 1020 CG GLN A 70 9.476 -0.300 -0.171 1.00 0.00 C ATOM 1021 CD GLN A 70 9.962 -1.733 -0.258 1.00 0.00 C ATOM 1022 OE1 GLN A 70 9.146 -2.598 -0.845 1.00 0.00 O flip ATOM 1023 NE2 GLN A 70 11.055 -2.064 0.204 1.00 0.00 N flip ATOM 0 H GLN A 70 11.514 2.808 -0.998 1.00 0.00 H new ATOM 0 HA GLN A 70 9.102 2.203 0.254 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.091 0.814 -1.029 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.369 0.307 0.625 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.817 -0.196 0.691 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.882 -0.068 -1.055 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.653 -1.367 0.648 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.362 -3.035 0.143 1.00 0.00 H new ATOM 1032 N GLU A 71 11.523 2.790 2.354 1.00 0.00 N ATOM 1033 CA GLU A 71 11.842 2.947 3.773 1.00 0.00 C ATOM 1034 C GLU A 71 10.736 3.717 4.493 1.00 0.00 C ATOM 1035 O GLU A 71 10.244 3.287 5.535 1.00 0.00 O ATOM 1036 CB GLU A 71 13.181 3.672 3.946 1.00 0.00 C ATOM 1037 CG GLU A 71 14.384 2.740 3.955 1.00 0.00 C ATOM 1038 CD GLU A 71 15.296 2.964 5.148 1.00 0.00 C ATOM 1039 OE1 GLU A 71 14.797 2.941 6.293 1.00 0.00 O ATOM 1040 OE2 GLU A 71 16.510 3.162 4.935 1.00 0.00 O ATOM 0 H GLU A 71 12.220 3.179 1.719 1.00 0.00 H new ATOM 0 HA GLU A 71 11.920 1.953 4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.299 4.396 3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.162 4.235 4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.037 1.707 3.958 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.954 2.882 3.037 1.00 0.00 H new ATOM 1047 N ARG A 72 10.344 4.854 3.923 1.00 0.00 N ATOM 1048 CA ARG A 72 9.293 5.682 4.504 1.00 0.00 C ATOM 1049 C ARG A 72 7.943 4.965 4.461 1.00 0.00 C ATOM 1050 O ARG A 72 7.258 4.853 5.480 1.00 0.00 O ATOM 1051 CB ARG A 72 9.205 7.019 3.762 1.00 0.00 C ATOM 1052 CG ARG A 72 9.967 8.146 4.441 1.00 0.00 C ATOM 1053 CD ARG A 72 11.417 7.769 4.713 1.00 0.00 C ATOM 1054 NE ARG A 72 12.219 7.744 3.488 1.00 0.00 N ATOM 1055 CZ ARG A 72 12.691 8.836 2.878 1.00 0.00 C ATOM 1056 NH1 ARG A 72 12.438 10.047 3.367 1.00 0.00 N ATOM 1057 NH2 ARG A 72 13.420 8.715 1.772 1.00 0.00 N ATOM 0 H ARG A 72 10.740 5.222 3.058 1.00 0.00 H new ATOM 0 HA ARG A 72 9.545 5.869 5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.591 6.889 2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.157 7.305 3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.935 9.036 3.812 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.476 8.402 5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.851 8.481 5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.453 6.789 5.189 1.00 0.00 H new ATOM 0 HE ARG A 72 12.431 6.836 3.074 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.880 10.148 4.214 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.803 10.874 2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.618 7.790 1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.781 9.547 1.305 1.00 0.00 H new ATOM 1071 N ALA A 73 7.570 4.482 3.277 1.00 0.00 N ATOM 1072 CA ALA A 73 6.302 3.776 3.099 1.00 0.00 C ATOM 1073 C ALA A 73 6.218 2.539 3.990 1.00 0.00 C ATOM 1074 O ALA A 73 5.220 2.330 4.677 1.00 0.00 O ATOM 1075 CB ALA A 73 6.111 3.386 1.640 1.00 0.00 C ATOM 0 H ALA A 73 8.127 4.567 2.427 1.00 0.00 H new ATOM 0 HA ALA A 73 5.502 4.456 3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.163 2.861 1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.107 4.283 1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.927 2.734 1.328 1.00 0.00 H new ATOM 1081 N ALA A 74 7.272 1.724 3.972 1.00 0.00 N ATOM 1082 CA ALA A 74 7.319 0.507 4.778 1.00 0.00 C ATOM 1083 C ALA A 74 7.165 0.819 6.264 1.00 0.00 C ATOM 1084 O ALA A 74 6.265 0.298 6.923 1.00 0.00 O ATOM 1085 CB ALA A 74 8.621 -0.243 4.531 1.00 0.00 C ATOM 0 H ALA A 74 8.106 1.886 3.407 1.00 0.00 H new ATOM 0 HA ALA A 74 6.483 -0.124 4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.641 -1.148 5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.691 -0.512 3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.464 0.393 4.800 1.00 0.00 H new ATOM 1091 N GLU A 75 8.050 1.669 6.783 1.00 0.00 N ATOM 1092 CA GLU A 75 8.019 2.050 8.195 1.00 0.00 C ATOM 1093 C GLU A 75 6.658 2.620 8.586 1.00 0.00 C ATOM 1094 O GLU A 75 6.038 2.155 9.541 1.00 0.00 O ATOM 1095 CB GLU A 75 9.118 3.072 8.497 1.00 0.00 C ATOM 1096 CG GLU A 75 10.397 2.449 9.034 1.00 0.00 C ATOM 1097 CD GLU A 75 11.057 1.523 8.031 1.00 0.00 C ATOM 1098 OE1 GLU A 75 10.601 0.367 7.901 1.00 0.00 O ATOM 1099 OE2 GLU A 75 12.029 1.953 7.377 1.00 0.00 O ATOM 0 H GLU A 75 8.798 2.108 6.246 1.00 0.00 H new ATOM 0 HA GLU A 75 8.195 1.150 8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.348 3.626 7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.742 3.793 9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.095 3.240 9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.172 1.893 9.944 1.00 0.00 H new ATOM 1106 N LEU A 76 6.194 3.622 7.841 1.00 0.00 N ATOM 1107 CA LEU A 76 4.900 4.241 8.119 1.00 0.00 C ATOM 1108 C LEU A 76 3.768 3.217 8.010 1.00 0.00 C ATOM 1109 O LEU A 76 2.771 3.309 8.728 1.00 0.00 O ATOM 1110 CB LEU A 76 4.649 5.412 7.166 1.00 0.00 C ATOM 1111 CG LEU A 76 5.539 6.638 7.395 1.00 0.00 C ATOM 1112 CD1 LEU A 76 5.272 7.694 6.334 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.318 7.211 8.789 1.00 0.00 C ATOM 0 H LEU A 76 6.692 4.020 7.045 1.00 0.00 H new ATOM 0 HA LEU A 76 4.921 4.620 9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.792 5.065 6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.606 5.717 7.257 1.00 0.00 H new ATOM 0 HG LEU A 76 6.580 6.326 7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.912 8.558 6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.485 7.281 5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.227 8.001 6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.960 8.081 8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.275 7.508 8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.561 6.455 9.536 1.00 0.00 H new ATOM 1125 N MET A 77 3.931 2.239 7.115 1.00 0.00 N ATOM 1126 CA MET A 77 2.923 1.198 6.925 1.00 0.00 C ATOM 1127 C MET A 77 2.864 0.269 8.135 1.00 0.00 C ATOM 1128 O MET A 77 1.852 0.214 8.830 1.00 0.00 O ATOM 1129 CB MET A 77 3.212 0.382 5.661 1.00 0.00 C ATOM 1130 CG MET A 77 2.510 0.909 4.419 1.00 0.00 C ATOM 1131 SD MET A 77 0.725 0.662 4.470 1.00 0.00 S ATOM 1132 CE MET A 77 0.624 -1.123 4.562 1.00 0.00 C ATOM 0 H MET A 77 4.750 2.148 6.513 1.00 0.00 H new ATOM 0 HA MET A 77 1.957 1.691 6.813 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.287 0.373 5.483 1.00 0.00 H new ATOM 0 HB3 MET A 77 2.908 -0.651 5.829 1.00 0.00 H new ATOM 0 HG2 MET A 77 2.722 1.973 4.311 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.916 0.411 3.538 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.087 -1.502 3.693 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.629 -1.544 4.580 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.094 -1.411 5.470 1.00 0.00 H new ATOM 1142 N THR A 78 3.955 -0.457 8.388 1.00 0.00 N ATOM 1143 CA THR A 78 4.011 -1.378 9.522 1.00 0.00 C ATOM 1144 C THR A 78 3.706 -0.653 10.833 1.00 0.00 C ATOM 1145 O THR A 78 3.066 -1.211 11.726 1.00 0.00 O ATOM 1146 CB THR A 78 5.380 -2.065 9.600 1.00 0.00 C ATOM 1147 OG1 THR A 78 5.471 -2.872 10.762 1.00 0.00 O ATOM 1148 CG2 THR A 78 6.553 -1.104 9.617 1.00 0.00 C ATOM 0 H THR A 78 4.806 -0.425 7.826 1.00 0.00 H new ATOM 0 HA THR A 78 3.249 -2.142 9.368 1.00 0.00 H new ATOM 0 HB THR A 78 5.444 -2.662 8.691 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.351 -3.303 10.793 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.484 -1.668 9.673 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.546 -0.505 8.706 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.473 -0.448 10.484 1.00 0.00 H new ATOM 1156 N ARG A 79 4.161 0.594 10.938 1.00 0.00 N ATOM 1157 CA ARG A 79 3.933 1.395 12.136 1.00 0.00 C ATOM 1158 C ARG A 79 2.590 2.132 12.065 1.00 0.00 C ATOM 1159 O ARG A 79 2.528 3.349 12.255 1.00 0.00 O ATOM 1160 CB ARG A 79 5.074 2.400 12.334 1.00 0.00 C ATOM 1161 CG ARG A 79 6.410 1.755 12.676 1.00 0.00 C ATOM 1162 CD ARG A 79 7.367 2.758 13.303 1.00 0.00 C ATOM 1163 NE ARG A 79 8.076 3.546 12.295 1.00 0.00 N ATOM 1164 CZ ARG A 79 8.975 4.492 12.583 1.00 0.00 C ATOM 1165 NH1 ARG A 79 9.276 4.770 13.848 1.00 0.00 N ATOM 1166 NH2 ARG A 79 9.571 5.164 11.605 1.00 0.00 N ATOM 0 H ARG A 79 4.690 1.070 10.207 1.00 0.00 H new ATOM 0 HA ARG A 79 3.905 0.717 12.989 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.188 2.989 11.424 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.801 3.093 13.130 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.249 0.925 13.363 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.857 1.339 11.773 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.811 3.427 13.960 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.090 2.229 13.924 1.00 0.00 H new ATOM 0 HE ARG A 79 7.872 3.362 11.313 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.820 4.260 14.605 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.963 5.493 14.062 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.343 4.958 10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.257 5.886 11.826 1.00 0.00 H new ATOM 1180 N THR A 80 1.516 1.388 11.798 1.00 0.00 N ATOM 1181 CA THR A 80 0.177 1.972 11.713 1.00 0.00 C ATOM 1182 C THR A 80 -0.546 1.865 13.054 1.00 0.00 C ATOM 1183 O THR A 80 -0.097 1.157 13.958 1.00 0.00 O ATOM 1184 CB THR A 80 -0.648 1.277 10.624 1.00 0.00 C ATOM 1185 OG1 THR A 80 -0.333 -0.104 10.557 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.440 1.866 9.245 1.00 0.00 C ATOM 0 H THR A 80 1.547 0.381 11.637 1.00 0.00 H new ATOM 0 HA THR A 80 0.287 3.025 11.455 1.00 0.00 H new ATOM 0 HB THR A 80 -1.688 1.429 10.911 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.873 -0.529 9.858 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.053 1.327 8.523 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.727 2.918 9.252 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.610 1.778 8.966 1.00 0.00 H new ATOM 1194 N SER A 81 -1.672 2.566 13.175 1.00 0.00 N ATOM 1195 CA SER A 81 -2.462 2.544 14.404 1.00 0.00 C ATOM 1196 C SER A 81 -3.620 1.550 14.282 1.00 0.00 C ATOM 1197 O SER A 81 -3.617 0.689 13.400 1.00 0.00 O ATOM 1198 CB SER A 81 -2.993 3.951 14.713 1.00 0.00 C ATOM 1199 OG SER A 81 -1.999 4.937 14.485 1.00 0.00 O ATOM 0 H SER A 81 -2.057 3.156 12.437 1.00 0.00 H new ATOM 0 HA SER A 81 -1.821 2.222 15.225 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.864 4.158 14.091 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.324 3.998 15.751 1.00 0.00 H new ATOM 0 HG SER A 81 -2.365 5.823 14.688 1.00 0.00 H new ATOM 1205 N SER A 82 -4.611 1.673 15.168 1.00 0.00 N ATOM 1206 CA SER A 82 -5.774 0.786 15.147 1.00 0.00 C ATOM 1207 C SER A 82 -6.510 0.871 13.807 1.00 0.00 C ATOM 1208 O SER A 82 -7.168 -0.082 13.393 1.00 0.00 O ATOM 1209 CB SER A 82 -6.730 1.132 16.292 1.00 0.00 C ATOM 1210 OG SER A 82 -6.136 0.865 17.551 1.00 0.00 O ATOM 0 H SER A 82 -4.631 2.376 15.906 1.00 0.00 H new ATOM 0 HA SER A 82 -5.417 -0.236 15.277 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.007 2.185 16.233 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.649 0.554 16.190 1.00 0.00 H new ATOM 0 HG SER A 82 -6.766 1.096 18.265 1.00 0.00 H new ATOM 1216 N VAL A 83 -6.392 2.018 13.135 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.041 2.223 11.843 1.00 0.00 C ATOM 1218 C VAL A 83 -6.051 2.025 10.697 1.00 0.00 C ATOM 1219 O VAL A 83 -4.855 2.287 10.843 1.00 0.00 O ATOM 1220 CB VAL A 83 -7.662 3.632 11.734 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -8.497 3.753 10.467 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -8.502 3.950 12.963 1.00 0.00 C ATOM 0 H VAL A 83 -5.852 2.818 13.466 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.837 1.482 11.769 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.851 4.358 11.681 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.926 4.753 10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.865 3.578 9.597 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.299 3.015 10.488 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.929 4.948 12.863 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.305 3.219 13.054 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.874 3.911 13.853 1.00 0.00 H new ATOM 1232 N VAL A 84 -6.560 1.560 9.558 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.731 1.324 8.382 1.00 0.00 C ATOM 1234 C VAL A 84 -6.308 2.038 7.159 1.00 0.00 C ATOM 1235 O VAL A 84 -7.087 1.460 6.400 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.601 -0.186 8.080 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -4.562 -0.429 6.993 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -5.249 -0.956 9.347 1.00 0.00 C ATOM 0 H VAL A 84 -7.547 1.339 9.426 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.741 1.724 8.599 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.563 -0.548 7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.486 -1.498 6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.861 0.088 6.081 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.594 -0.051 7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.162 -2.017 9.115 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.301 -0.592 9.743 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.032 -0.810 10.091 1.00 0.00 H new ATOM 1248 N THR A 85 -5.923 3.302 6.983 1.00 0.00 N ATOM 1249 CA THR A 85 -6.400 4.106 5.859 1.00 0.00 C ATOM 1250 C THR A 85 -5.448 3.996 4.667 1.00 0.00 C ATOM 1251 O THR A 85 -4.612 4.873 4.445 1.00 0.00 O ATOM 1252 CB THR A 85 -6.551 5.573 6.285 1.00 0.00 C ATOM 1253 OG1 THR A 85 -7.040 5.668 7.613 1.00 0.00 O ATOM 1254 CG2 THR A 85 -7.486 6.364 5.395 1.00 0.00 C ATOM 0 H THR A 85 -5.281 3.792 7.606 1.00 0.00 H new ATOM 0 HA THR A 85 -7.374 3.724 5.553 1.00 0.00 H new ATOM 0 HB THR A 85 -5.550 5.997 6.203 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.126 6.612 7.863 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.546 7.392 5.753 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.108 6.357 4.373 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.478 5.913 5.418 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.578 2.909 3.906 1.00 0.00 N ATOM 1263 CA LEU A 86 -4.725 2.683 2.742 1.00 0.00 C ATOM 1264 C LEU A 86 -5.470 2.967 1.441 1.00 0.00 C ATOM 1265 O LEU A 86 -6.607 2.528 1.256 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.205 1.244 2.737 1.00 0.00 C ATOM 1267 CG LEU A 86 -2.862 1.038 3.439 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -2.624 -0.440 3.706 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -1.727 1.624 2.608 1.00 0.00 C ATOM 0 H LEU A 86 -6.264 2.174 4.075 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.883 3.372 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.948 0.604 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.112 0.911 1.703 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.889 1.560 4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.664 -0.569 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.420 -0.828 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.617 -0.984 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.780 1.468 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.696 1.132 1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.892 2.692 2.469 1.00 0.00 H new ATOM 1281 N GLU A 87 -4.814 3.698 0.541 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.401 4.038 -0.750 1.00 0.00 C ATOM 1283 C GLU A 87 -4.739 3.237 -1.869 1.00 0.00 C ATOM 1284 O GLU A 87 -3.561 3.434 -2.176 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.260 5.539 -1.017 1.00 0.00 C ATOM 1286 CG GLU A 87 -5.793 5.972 -2.372 1.00 0.00 C ATOM 1287 CD GLU A 87 -6.042 7.466 -2.454 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -5.081 8.241 -2.262 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -7.199 7.860 -2.710 1.00 0.00 O ATOM 0 H GLU A 87 -3.874 4.066 0.685 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.461 3.784 -0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.787 6.089 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.208 5.814 -0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.082 5.683 -3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.722 5.441 -2.579 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.506 2.329 -2.467 1.00 0.00 N ATOM 1297 CA VAL A 88 -5.003 1.486 -3.548 1.00 0.00 C ATOM 1298 C VAL A 88 -5.648 1.855 -4.882 1.00 0.00 C ATOM 1299 O VAL A 88 -6.810 2.264 -4.930 1.00 0.00 O ATOM 1300 CB VAL A 88 -5.264 -0.009 -3.258 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -4.550 -0.889 -4.273 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -4.834 -0.368 -1.844 1.00 0.00 C ATOM 0 H VAL A 88 -6.481 2.158 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.928 1.657 -3.610 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.336 -0.187 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.748 -1.937 -4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.913 -0.657 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.477 -0.704 -4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.027 -1.425 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.769 -0.168 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.397 0.232 -1.129 1.00 0.00 H new ATOM 1312 N ALA A 89 -4.886 1.699 -5.965 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.380 2.006 -7.303 1.00 0.00 C ATOM 1314 C ALA A 89 -5.865 0.741 -8.005 1.00 0.00 C ATOM 1315 O ALA A 89 -5.176 -0.281 -8.002 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.295 2.684 -8.127 1.00 0.00 C ATOM 0 H ALA A 89 -3.924 1.361 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.224 2.689 -7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.680 2.906 -9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.993 3.611 -7.639 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.434 2.021 -8.211 1.00 0.00 H new ATOM 1322 N LYS A 90 -7.051 0.817 -8.606 1.00 0.00 N ATOM 1323 CA LYS A 90 -7.626 -0.323 -9.316 1.00 0.00 C ATOM 1324 C LYS A 90 -6.830 -0.622 -10.584 1.00 0.00 C ATOM 1325 O LYS A 90 -7.103 -0.065 -11.648 1.00 0.00 O ATOM 1326 CB LYS A 90 -9.094 -0.052 -9.664 1.00 0.00 C ATOM 1327 CG LYS A 90 -10.062 -1.041 -9.036 1.00 0.00 C ATOM 1328 CD LYS A 90 -10.202 -0.814 -7.538 1.00 0.00 C ATOM 1329 CE LYS A 90 -9.998 -2.103 -6.754 1.00 0.00 C ATOM 1330 NZ LYS A 90 -8.602 -2.239 -6.247 1.00 0.00 N ATOM 0 H LYS A 90 -7.632 1.655 -8.615 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.577 -1.194 -8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.355 0.955 -9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.213 -0.079 -10.747 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.038 -0.947 -9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.714 -2.058 -9.220 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.474 -0.071 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.190 -0.409 -7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.692 -2.129 -5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.236 -2.955 -7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.178 -3.110 -6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.040 -1.419 -6.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.613 -2.284 -5.208 1.00 0.00 H new ATOM 1421 N SER B 101 10.656 -5.612 -0.939 1.00 0.00 N ATOM 1422 CA SER B 101 9.736 -6.717 -0.671 1.00 0.00 C ATOM 1423 C SER B 101 8.827 -6.396 0.521 1.00 0.00 C ATOM 1424 O SER B 101 7.605 -6.522 0.427 1.00 0.00 O ATOM 1425 CB SER B 101 10.527 -8.002 -0.410 1.00 0.00 C ATOM 1426 OG SER B 101 9.730 -8.992 0.223 1.00 0.00 O ATOM 0 HA SER B 101 9.103 -6.861 -1.547 1.00 0.00 H new ATOM 0 HB2 SER B 101 10.909 -8.392 -1.354 1.00 0.00 H new ATOM 0 HB3 SER B 101 11.391 -7.776 0.215 1.00 0.00 H new ATOM 0 HG SER B 101 10.267 -9.798 0.373 1.00 0.00 H new ATOM 1432 N THR B 102 9.437 -5.978 1.638 1.00 0.00 N ATOM 1433 CA THR B 102 8.701 -5.625 2.858 1.00 0.00 C ATOM 1434 C THR B 102 7.766 -6.757 3.309 1.00 0.00 C ATOM 1435 O THR B 102 7.791 -7.860 2.757 1.00 0.00 O ATOM 1436 CB THR B 102 7.908 -4.326 2.641 1.00 0.00 C ATOM 1437 OG1 THR B 102 8.586 -3.465 1.739 1.00 0.00 O ATOM 1438 CG2 THR B 102 7.665 -3.541 3.918 1.00 0.00 C ATOM 0 H THR B 102 10.448 -5.876 1.721 1.00 0.00 H new ATOM 0 HA THR B 102 9.431 -5.470 3.653 1.00 0.00 H new ATOM 0 HB THR B 102 6.946 -4.647 2.241 1.00 0.00 H new ATOM 0 HG1 THR B 102 8.236 -3.599 0.833 1.00 0.00 H new ATOM 0 HG21 THR B 102 7.100 -2.638 3.688 1.00 0.00 H new ATOM 0 HG22 THR B 102 7.099 -4.154 4.620 1.00 0.00 H new ATOM 0 HG23 THR B 102 8.621 -3.267 4.364 1.00 0.00 H new