USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 429 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 23 GLN : amide:sc= -1.7 K(o=-1.6,f=-7.2!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 158:sc= 0.147 (180deg=0) USER MOD Set 2.1: A 8 ASN : amide:sc= 0.932 K(o=1.3,f=-3.5!) USER MOD Set 2.2: A 14 ASN : amide:sc= 0.342 K(o=1.3,f=-0.41!) USER MOD Single : A 20 MET CE :methyl -161:sc= -1.37 (180deg=-1.55) USER MOD Single : A 21 MET CE :methyl -126:sc= -1.69 (180deg=-2.31) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.561 K(o=0.56,f=0) USER MOD Single : A 41 ASN : amide:sc= 0.371 K(o=0.37,f=-2.8!) USER MOD Single : A 47 ASN : amide:sc= -0.3 K(o=-0.3,f=-1.4) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.16) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 3 3.402 1.833 7.439 1.00 0.00 N ATOM 71 CA ILE A 3 3.445 2.770 6.358 1.00 0.00 C ATOM 72 C ILE A 3 2.693 2.185 5.166 1.00 0.00 C ATOM 73 O ILE A 3 3.142 1.226 4.544 1.00 0.00 O ATOM 74 CB ILE A 3 4.932 3.173 6.009 1.00 0.00 C ATOM 75 CG1 ILE A 3 5.059 3.873 4.631 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.903 2.003 6.164 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.484 4.253 4.252 1.00 0.00 C ATOM 0 HA ILE A 3 2.950 3.696 6.650 1.00 0.00 H new ATOM 0 HB ILE A 3 5.225 3.917 6.749 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.654 3.214 3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.444 4.773 4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.911 2.331 5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.883 1.648 7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.608 1.194 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.484 4.737 3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.888 4.939 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.102 3.356 4.212 1.00 0.00 H new ATOM 89 N LEU A 4 1.506 2.725 4.913 1.00 0.00 N ATOM 90 CA LEU A 4 0.630 2.264 3.856 1.00 0.00 C ATOM 91 C LEU A 4 1.306 2.367 2.501 1.00 0.00 C ATOM 92 O LEU A 4 1.576 3.475 2.000 1.00 0.00 O ATOM 93 CB LEU A 4 -0.680 3.056 3.851 1.00 0.00 C ATOM 94 CG LEU A 4 -1.495 3.081 5.156 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.822 3.793 4.950 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.710 1.680 5.705 1.00 0.00 C ATOM 0 H LEU A 4 1.125 3.506 5.447 1.00 0.00 H new ATOM 0 HA LEU A 4 0.404 1.215 4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.450 4.086 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.316 2.651 3.064 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.919 3.638 5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.381 3.798 5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.639 4.819 4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.399 3.273 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.289 1.735 6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.251 1.081 4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.745 1.218 5.910 1.00 0.00 H new ATOM 108 N GLY A 5 1.586 1.230 1.927 1.00 0.00 N ATOM 109 CA GLY A 5 2.283 1.183 0.682 1.00 0.00 C ATOM 110 C GLY A 5 3.590 0.437 0.816 1.00 0.00 C ATOM 111 O GLY A 5 4.111 -0.077 -0.154 1.00 0.00 O ATOM 0 H GLY A 5 1.337 0.318 2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.659 0.698 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.474 2.197 0.331 1.00 0.00 H new ATOM 115 N ASP A 6 4.112 0.361 2.020 1.00 0.00 N ATOM 116 CA ASP A 6 5.341 -0.332 2.256 1.00 0.00 C ATOM 117 C ASP A 6 5.102 -1.544 3.143 1.00 0.00 C ATOM 118 O ASP A 6 5.154 -1.497 4.368 1.00 0.00 O ATOM 119 CB ASP A 6 6.400 0.606 2.794 1.00 0.00 C ATOM 120 CG ASP A 6 7.675 -0.088 3.096 1.00 0.00 C ATOM 121 OD1 ASP A 6 8.178 -0.832 2.235 1.00 0.00 O ATOM 122 OD2 ASP A 6 8.230 0.121 4.166 1.00 0.00 O ATOM 0 H ASP A 6 3.694 0.777 2.852 1.00 0.00 H new ATOM 0 HA ASP A 6 5.728 -0.708 1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.584 1.396 2.066 1.00 0.00 H new ATOM 0 HB3 ASP A 6 6.029 1.087 3.699 1.00 0.00 H new ATOM 127 N LEU A 7 4.786 -2.605 2.476 1.00 0.00 N ATOM 128 CA LEU A 7 4.379 -3.861 3.038 1.00 0.00 C ATOM 129 C LEU A 7 5.556 -4.668 3.540 1.00 0.00 C ATOM 130 O LEU A 7 5.455 -5.353 4.554 1.00 0.00 O ATOM 131 CB LEU A 7 3.612 -4.677 1.984 1.00 0.00 C ATOM 132 CG LEU A 7 2.185 -4.223 1.585 1.00 0.00 C ATOM 133 CD1 LEU A 7 2.138 -2.845 0.957 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.608 -5.208 0.634 1.00 0.00 C ATOM 0 H LEU A 7 4.805 -2.624 1.456 1.00 0.00 H new ATOM 0 HA LEU A 7 3.735 -3.645 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.217 -4.699 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.543 -5.703 2.346 1.00 0.00 H new ATOM 0 HG LEU A 7 1.605 -4.169 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.108 -2.595 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.527 -2.110 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.746 -2.837 0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.604 -4.894 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.236 -5.266 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.561 -6.188 1.109 1.00 0.00 H new ATOM 146 N ASN A 8 6.666 -4.604 2.825 1.00 0.00 N ATOM 147 CA ASN A 8 7.855 -5.387 3.199 1.00 0.00 C ATOM 148 C ASN A 8 8.724 -4.645 4.193 1.00 0.00 C ATOM 149 O ASN A 8 9.715 -5.192 4.683 1.00 0.00 O ATOM 150 CB ASN A 8 8.679 -5.839 1.971 1.00 0.00 C ATOM 151 CG ASN A 8 9.384 -4.716 1.245 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.946 -3.576 1.244 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.442 -5.031 0.580 1.00 0.00 N ATOM 0 H ASN A 8 6.779 -4.029 1.990 1.00 0.00 H new ATOM 0 HA ASN A 8 7.485 -6.290 3.684 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.421 -6.568 2.295 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.016 -6.348 1.271 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.933 -4.321 0.037 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.788 -5.990 0.597 1.00 0.00 H new ATOM 160 N ASP A 9 8.330 -3.400 4.486 1.00 0.00 N ATOM 161 CA ASP A 9 9.001 -2.543 5.466 1.00 0.00 C ATOM 162 C ASP A 9 10.434 -2.216 5.040 1.00 0.00 C ATOM 163 O ASP A 9 11.429 -2.681 5.624 1.00 0.00 O ATOM 164 CB ASP A 9 8.904 -3.120 6.894 1.00 0.00 C ATOM 165 CG ASP A 9 9.610 -2.319 7.973 1.00 0.00 C ATOM 166 OD1 ASP A 9 10.618 -2.816 8.531 1.00 0.00 O ATOM 167 OD2 ASP A 9 9.157 -1.207 8.310 1.00 0.00 O ATOM 0 H ASP A 9 7.526 -2.956 4.043 1.00 0.00 H new ATOM 0 HA ASP A 9 8.471 -1.591 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.851 -3.207 7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.315 -4.129 6.888 1.00 0.00 H new ATOM 172 N ASP A 10 10.532 -1.534 3.933 1.00 0.00 N ATOM 173 CA ASP A 10 11.815 -1.110 3.416 1.00 0.00 C ATOM 174 C ASP A 10 11.868 0.403 3.245 1.00 0.00 C ATOM 175 O ASP A 10 12.900 0.975 2.861 1.00 0.00 O ATOM 176 CB ASP A 10 12.256 -1.886 2.144 1.00 0.00 C ATOM 177 CG ASP A 10 11.411 -1.689 0.906 1.00 0.00 C ATOM 178 OD1 ASP A 10 11.483 -2.535 -0.007 1.00 0.00 O ATOM 179 OD2 ASP A 10 10.612 -0.757 0.826 1.00 0.00 O ATOM 0 H ASP A 10 9.734 -1.255 3.363 1.00 0.00 H new ATOM 0 HA ASP A 10 12.560 -1.373 4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.280 -1.598 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.270 -2.950 2.381 1.00 0.00 H new ATOM 184 N GLY A 11 10.757 1.047 3.554 1.00 0.00 N ATOM 185 CA GLY A 11 10.685 2.490 3.546 1.00 0.00 C ATOM 186 C GLY A 11 10.220 3.097 2.251 1.00 0.00 C ATOM 187 O GLY A 11 10.072 4.318 2.162 1.00 0.00 O ATOM 0 H GLY A 11 9.886 0.585 3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.012 2.809 4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.671 2.889 3.783 1.00 0.00 H new ATOM 191 N VAL A 12 9.960 2.289 1.263 1.00 0.00 N ATOM 192 CA VAL A 12 9.615 2.812 -0.040 1.00 0.00 C ATOM 193 C VAL A 12 8.617 1.904 -0.769 1.00 0.00 C ATOM 194 O VAL A 12 8.641 0.686 -0.601 1.00 0.00 O ATOM 195 CB VAL A 12 10.927 3.016 -0.875 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.745 1.726 -0.948 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.648 3.580 -2.265 1.00 0.00 C ATOM 0 H VAL A 12 9.978 1.271 1.328 1.00 0.00 H new ATOM 0 HA VAL A 12 9.119 3.775 0.084 1.00 0.00 H new ATOM 0 HB VAL A 12 11.524 3.761 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.648 1.900 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.020 1.412 0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.151 0.945 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.588 3.703 -2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.003 2.894 -2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.154 4.547 -2.173 1.00 0.00 H new ATOM 207 N VAL A 13 7.718 2.505 -1.521 1.00 0.00 N ATOM 208 CA VAL A 13 6.774 1.786 -2.338 1.00 0.00 C ATOM 209 C VAL A 13 7.473 1.198 -3.588 1.00 0.00 C ATOM 210 O VAL A 13 7.789 1.900 -4.556 1.00 0.00 O ATOM 211 CB VAL A 13 5.548 2.678 -2.710 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.729 2.975 -1.464 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.974 3.996 -3.368 1.00 0.00 C ATOM 0 H VAL A 13 7.625 3.519 -1.580 1.00 0.00 H new ATOM 0 HA VAL A 13 6.385 0.949 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 13 4.947 2.124 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.875 3.598 -1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.375 2.040 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.349 3.500 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.089 4.585 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.607 4.558 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.529 3.784 -4.282 1.00 0.00 H new ATOM 223 N ASN A 14 7.803 -0.061 -3.502 1.00 0.00 N ATOM 224 CA ASN A 14 8.512 -0.752 -4.556 1.00 0.00 C ATOM 225 C ASN A 14 7.808 -2.006 -5.008 1.00 0.00 C ATOM 226 O ASN A 14 6.823 -2.428 -4.401 1.00 0.00 O ATOM 227 CB ASN A 14 9.979 -1.015 -4.176 1.00 0.00 C ATOM 228 CG ASN A 14 10.229 -1.873 -2.958 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.386 -2.054 -2.081 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.414 -2.334 -2.847 1.00 0.00 N ATOM 0 H ASN A 14 7.588 -0.645 -2.694 1.00 0.00 H new ATOM 0 HA ASN A 14 8.516 -0.083 -5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.471 -1.485 -5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.466 -0.053 -4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.679 -2.865 -2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.096 -2.171 -3.588 1.00 0.00 H new ATOM 237 N GLY A 15 8.345 -2.627 -6.053 1.00 0.00 N ATOM 238 CA GLY A 15 7.780 -3.856 -6.631 1.00 0.00 C ATOM 239 C GLY A 15 7.736 -5.021 -5.655 1.00 0.00 C ATOM 240 O GLY A 15 6.924 -5.934 -5.811 1.00 0.00 O ATOM 0 H GLY A 15 9.185 -2.298 -6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.770 -3.650 -6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.370 -4.143 -7.501 1.00 0.00 H new ATOM 244 N ARG A 16 8.595 -4.974 -4.641 1.00 0.00 N ATOM 245 CA ARG A 16 8.645 -5.992 -3.588 1.00 0.00 C ATOM 246 C ARG A 16 7.346 -5.999 -2.801 1.00 0.00 C ATOM 247 O ARG A 16 6.886 -7.045 -2.356 1.00 0.00 O ATOM 248 CB ARG A 16 9.784 -5.706 -2.621 1.00 0.00 C ATOM 249 CG ARG A 16 11.174 -5.730 -3.221 1.00 0.00 C ATOM 250 CD ARG A 16 11.609 -7.127 -3.624 1.00 0.00 C ATOM 251 NE ARG A 16 12.972 -7.128 -4.169 1.00 0.00 N ATOM 252 CZ ARG A 16 13.560 -8.153 -4.788 1.00 0.00 C ATOM 253 NH1 ARG A 16 12.894 -9.291 -4.990 1.00 0.00 N ATOM 254 NH2 ARG A 16 14.818 -8.033 -5.216 1.00 0.00 N ATOM 0 H ARG A 16 9.280 -4.227 -4.523 1.00 0.00 H new ATOM 0 HA ARG A 16 8.800 -6.959 -4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.618 -4.727 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.744 -6.437 -1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.200 -5.079 -4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.884 -5.326 -2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.561 -7.788 -2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.918 -7.524 -4.367 1.00 0.00 H new ATOM 0 HE ARG A 16 13.516 -6.272 -4.066 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.930 -9.381 -4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.349 -10.071 -5.464 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.326 -7.161 -5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.272 -8.814 -5.690 1.00 0.00 H new ATOM 268 N ASP A 17 6.737 -4.818 -2.662 1.00 0.00 N ATOM 269 CA ASP A 17 5.502 -4.665 -1.919 1.00 0.00 C ATOM 270 C ASP A 17 4.391 -5.346 -2.649 1.00 0.00 C ATOM 271 O ASP A 17 3.551 -5.982 -2.035 1.00 0.00 O ATOM 272 CB ASP A 17 5.154 -3.202 -1.697 1.00 0.00 C ATOM 273 CG ASP A 17 6.190 -2.473 -0.891 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.473 -2.844 0.253 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.806 -1.534 -1.378 1.00 0.00 O ATOM 0 H ASP A 17 7.092 -3.950 -3.063 1.00 0.00 H new ATOM 0 HA ASP A 17 5.640 -5.124 -0.940 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.039 -2.710 -2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.192 -3.135 -1.189 1.00 0.00 H new ATOM 280 N ILE A 18 4.413 -5.215 -3.977 1.00 0.00 N ATOM 281 CA ILE A 18 3.478 -5.890 -4.890 1.00 0.00 C ATOM 282 C ILE A 18 3.430 -7.385 -4.606 1.00 0.00 C ATOM 283 O ILE A 18 2.355 -7.976 -4.534 1.00 0.00 O ATOM 284 CB ILE A 18 3.879 -5.651 -6.402 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.474 -4.267 -6.903 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.305 -6.715 -7.336 1.00 0.00 C ATOM 287 CD1 ILE A 18 4.060 -3.105 -6.180 1.00 0.00 C ATOM 0 H ILE A 18 5.092 -4.627 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 18 2.490 -5.462 -4.719 1.00 0.00 H new ATOM 0 HB ILE A 18 4.966 -5.723 -6.421 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.750 -4.190 -7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.388 -4.189 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.611 -6.503 -8.361 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.677 -7.696 -7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.217 -6.706 -7.273 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.699 -2.179 -6.627 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.764 -3.142 -5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.147 -3.142 -6.252 1.00 0.00 H new ATOM 299 N VAL A 19 4.596 -7.962 -4.408 1.00 0.00 N ATOM 300 CA VAL A 19 4.719 -9.383 -4.142 1.00 0.00 C ATOM 301 C VAL A 19 4.013 -9.715 -2.837 1.00 0.00 C ATOM 302 O VAL A 19 3.141 -10.559 -2.812 1.00 0.00 O ATOM 303 CB VAL A 19 6.196 -9.833 -4.051 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.308 -11.351 -4.125 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.039 -9.164 -5.120 1.00 0.00 C ATOM 0 H VAL A 19 5.485 -7.462 -4.426 1.00 0.00 H new ATOM 0 HA VAL A 19 4.259 -9.916 -4.974 1.00 0.00 H new ATOM 0 HB VAL A 19 6.584 -9.518 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.356 -11.642 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.755 -11.797 -3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.893 -11.701 -5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.072 -9.499 -5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.655 -9.429 -6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.997 -8.082 -4.993 1.00 0.00 H new ATOM 315 N MET A 20 4.343 -8.953 -1.793 1.00 0.00 N ATOM 316 CA MET A 20 3.794 -9.137 -0.426 1.00 0.00 C ATOM 317 C MET A 20 2.265 -9.009 -0.443 1.00 0.00 C ATOM 318 O MET A 20 1.550 -9.780 0.213 1.00 0.00 O ATOM 319 CB MET A 20 4.353 -8.064 0.510 1.00 0.00 C ATOM 320 CG MET A 20 5.863 -7.906 0.479 1.00 0.00 C ATOM 321 SD MET A 20 6.767 -9.295 1.187 1.00 0.00 S ATOM 322 CE MET A 20 6.451 -9.044 2.932 1.00 0.00 C ATOM 0 H MET A 20 5.005 -8.180 -1.861 1.00 0.00 H new ATOM 0 HA MET A 20 4.079 -10.129 -0.077 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.898 -7.107 0.254 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.049 -8.299 1.530 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.181 -7.769 -0.554 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.133 -6.998 1.019 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.190 -9.591 3.518 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.518 -7.981 3.165 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.453 -9.407 3.177 1.00 0.00 H new ATOM 332 N MET A 21 1.801 -8.018 -1.203 1.00 0.00 N ATOM 333 CA MET A 21 0.383 -7.717 -1.442 1.00 0.00 C ATOM 334 C MET A 21 -0.296 -8.960 -1.959 1.00 0.00 C ATOM 335 O MET A 21 -1.216 -9.493 -1.336 1.00 0.00 O ATOM 336 CB MET A 21 0.322 -6.631 -2.530 1.00 0.00 C ATOM 337 CG MET A 21 -1.050 -6.081 -2.961 1.00 0.00 C ATOM 338 SD MET A 21 -1.671 -4.674 -2.002 1.00 0.00 S ATOM 339 CE MET A 21 -2.063 -5.377 -0.430 1.00 0.00 C ATOM 0 H MET A 21 2.425 -7.375 -1.690 1.00 0.00 H new ATOM 0 HA MET A 21 -0.107 -7.384 -0.527 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.921 -5.788 -2.187 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.811 -7.029 -3.419 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.989 -5.784 -4.008 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.780 -6.888 -2.900 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.096 -5.141 -0.173 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.938 -6.459 -0.474 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.397 -4.966 0.329 1.00 0.00 H new ATOM 349 N ARG A 22 0.245 -9.445 -3.060 1.00 0.00 N ATOM 350 CA ARG A 22 -0.248 -10.594 -3.773 1.00 0.00 C ATOM 351 C ARG A 22 -0.215 -11.863 -2.933 1.00 0.00 C ATOM 352 O ARG A 22 -1.112 -12.679 -3.050 1.00 0.00 O ATOM 353 CB ARG A 22 0.547 -10.786 -5.047 1.00 0.00 C ATOM 354 CG ARG A 22 0.290 -9.759 -6.131 1.00 0.00 C ATOM 355 CD ARG A 22 1.229 -10.010 -7.286 1.00 0.00 C ATOM 356 NE ARG A 22 1.000 -9.133 -8.423 1.00 0.00 N ATOM 357 CZ ARG A 22 1.487 -9.342 -9.648 1.00 0.00 C ATOM 358 NH1 ARG A 22 2.236 -10.419 -9.896 1.00 0.00 N ATOM 359 NH2 ARG A 22 1.212 -8.483 -10.618 1.00 0.00 N ATOM 0 H ARG A 22 1.070 -9.030 -3.493 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.294 -10.403 -4.015 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.608 -10.771 -4.799 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.327 -11.776 -5.447 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.745 -9.820 -6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.438 -8.753 -5.738 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.256 -9.885 -6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.125 -11.046 -7.610 1.00 0.00 H new ATOM 0 HE ARG A 22 0.428 -8.301 -8.274 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.437 -11.084 -9.149 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.607 -10.577 -10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.631 -7.667 -10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.581 -8.638 -11.556 1.00 0.00 H new ATOM 373 N GLN A 23 0.812 -12.016 -2.086 1.00 0.00 N ATOM 374 CA GLN A 23 0.943 -13.183 -1.213 1.00 0.00 C ATOM 375 C GLN A 23 -0.258 -13.296 -0.306 1.00 0.00 C ATOM 376 O GLN A 23 -0.960 -14.310 -0.301 1.00 0.00 O ATOM 377 CB GLN A 23 2.158 -13.063 -0.309 1.00 0.00 C ATOM 378 CG GLN A 23 3.499 -12.878 -0.972 1.00 0.00 C ATOM 379 CD GLN A 23 3.959 -14.044 -1.822 1.00 0.00 C ATOM 380 OE1 GLN A 23 3.178 -14.764 -2.434 1.00 0.00 O ATOM 381 NE2 GLN A 23 5.228 -14.259 -1.843 1.00 0.00 N ATOM 0 H GLN A 23 1.568 -11.338 -1.989 1.00 0.00 H new ATOM 0 HA GLN A 23 1.036 -14.053 -1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.996 -12.221 0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.208 -13.960 0.309 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.458 -11.986 -1.597 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.246 -12.693 -0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.858 -13.646 -1.326 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.604 -15.043 -2.377 1.00 0.00 H new ATOM 390 N TYR A 24 -0.502 -12.234 0.448 1.00 0.00 N ATOM 391 CA TYR A 24 -1.567 -12.211 1.416 1.00 0.00 C ATOM 392 C TYR A 24 -2.917 -12.317 0.727 1.00 0.00 C ATOM 393 O TYR A 24 -3.799 -13.034 1.183 1.00 0.00 O ATOM 394 CB TYR A 24 -1.473 -10.948 2.242 1.00 0.00 C ATOM 395 CG TYR A 24 -2.411 -10.926 3.425 1.00 0.00 C ATOM 396 CD1 TYR A 24 -2.001 -11.375 4.669 1.00 0.00 C ATOM 397 CD2 TYR A 24 -3.709 -10.476 3.286 1.00 0.00 C ATOM 398 CE1 TYR A 24 -2.865 -11.370 5.740 1.00 0.00 C ATOM 399 CE2 TYR A 24 -4.572 -10.464 4.339 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.154 -10.911 5.570 1.00 0.00 C ATOM 401 OH TYR A 24 -5.032 -10.912 6.631 1.00 0.00 O ATOM 0 H TYR A 24 0.037 -11.369 0.399 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.468 -13.070 2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.449 -10.833 2.599 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.687 -10.090 1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.991 -11.734 4.800 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.047 -10.126 2.322 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.536 -11.723 6.706 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.582 -10.104 4.208 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.897 -10.556 6.340 1.00 0.00 H new ATOM 411 N LEU A 25 -3.053 -11.598 -0.362 1.00 0.00 N ATOM 412 CA LEU A 25 -4.263 -11.649 -1.216 1.00 0.00 C ATOM 413 C LEU A 25 -4.559 -13.076 -1.692 1.00 0.00 C ATOM 414 O LEU A 25 -5.718 -13.499 -1.723 1.00 0.00 O ATOM 415 CB LEU A 25 -4.142 -10.715 -2.432 1.00 0.00 C ATOM 416 CG LEU A 25 -4.151 -9.204 -2.162 1.00 0.00 C ATOM 417 CD1 LEU A 25 -3.911 -8.444 -3.447 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.470 -8.758 -1.550 1.00 0.00 C ATOM 0 H LEU A 25 -2.338 -10.953 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.092 -11.308 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.217 -10.959 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.962 -10.941 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.352 -8.989 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.920 -7.373 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.943 -8.727 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.697 -8.683 -4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.443 -7.683 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.286 -8.992 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.627 -9.279 -0.606 1.00 0.00 H new ATOM 430 N ALA A 26 -3.511 -13.814 -2.030 1.00 0.00 N ATOM 431 CA ALA A 26 -3.635 -15.205 -2.472 1.00 0.00 C ATOM 432 C ALA A 26 -4.014 -16.119 -1.306 1.00 0.00 C ATOM 433 O ALA A 26 -4.625 -17.167 -1.498 1.00 0.00 O ATOM 434 CB ALA A 26 -2.346 -15.679 -3.123 1.00 0.00 C ATOM 0 H ALA A 26 -2.551 -13.471 -2.007 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.433 -15.252 -3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.460 -16.714 -3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.124 -15.054 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.529 -15.609 -2.405 1.00 0.00 H new ATOM 440 N GLY A 27 -3.676 -15.696 -0.108 1.00 0.00 N ATOM 441 CA GLY A 27 -4.002 -16.444 1.062 1.00 0.00 C ATOM 442 C GLY A 27 -2.784 -16.974 1.774 1.00 0.00 C ATOM 443 O GLY A 27 -2.894 -17.844 2.641 1.00 0.00 O ATOM 0 H GLY A 27 -3.171 -14.828 0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.570 -15.813 1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.648 -17.278 0.787 1.00 0.00 H new ATOM 447 N LYS A 28 -1.625 -16.446 1.437 1.00 0.00 N ATOM 448 CA LYS A 28 -0.392 -16.902 2.034 1.00 0.00 C ATOM 449 C LYS A 28 -0.088 -16.109 3.285 1.00 0.00 C ATOM 450 O LYS A 28 -0.499 -14.946 3.423 1.00 0.00 O ATOM 451 CB LYS A 28 0.778 -16.783 1.047 1.00 0.00 C ATOM 452 CG LYS A 28 0.480 -17.387 -0.313 1.00 0.00 C ATOM 453 CD LYS A 28 1.623 -17.210 -1.288 1.00 0.00 C ATOM 454 CE LYS A 28 2.878 -17.935 -0.851 1.00 0.00 C ATOM 455 NZ LYS A 28 3.966 -17.775 -1.829 1.00 0.00 N ATOM 0 H LYS A 28 -1.514 -15.699 0.751 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.517 -17.953 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.033 -15.731 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.654 -17.275 1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.267 -18.450 -0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.418 -16.925 -0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.319 -17.576 -2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.841 -16.148 -1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.200 -17.554 0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.659 -18.995 -0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.880 -17.943 -1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.841 -18.459 -2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.947 -16.809 -2.215 1.00 0.00 H new ATOM 469 N THR A 29 0.606 -16.740 4.177 1.00 0.00 N ATOM 470 CA THR A 29 1.043 -16.139 5.399 1.00 0.00 C ATOM 471 C THR A 29 2.432 -15.569 5.138 1.00 0.00 C ATOM 472 O THR A 29 3.399 -16.317 4.942 1.00 0.00 O ATOM 473 CB THR A 29 1.104 -17.203 6.519 1.00 0.00 C ATOM 474 OG1 THR A 29 -0.151 -17.918 6.560 1.00 0.00 O ATOM 475 CG2 THR A 29 1.348 -16.550 7.876 1.00 0.00 C ATOM 0 H THR A 29 0.893 -17.713 4.074 1.00 0.00 H new ATOM 0 HA THR A 29 0.355 -15.357 5.720 1.00 0.00 H new ATOM 0 HB THR A 29 1.926 -17.886 6.306 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.118 -18.596 7.267 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.387 -17.319 8.648 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.294 -16.009 7.855 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.538 -15.855 8.096 1.00 0.00 H new ATOM 483 N VAL A 30 2.525 -14.268 5.086 1.00 0.00 N ATOM 484 CA VAL A 30 3.745 -13.633 4.697 1.00 0.00 C ATOM 485 C VAL A 30 4.542 -13.267 5.941 1.00 0.00 C ATOM 486 O VAL A 30 4.115 -12.439 6.738 1.00 0.00 O ATOM 487 CB VAL A 30 3.469 -12.354 3.867 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.621 -12.060 2.932 1.00 0.00 C ATOM 489 CG2 VAL A 30 2.154 -12.434 3.102 1.00 0.00 C ATOM 0 H VAL A 30 1.763 -13.628 5.310 1.00 0.00 H new ATOM 0 HA VAL A 30 4.313 -14.328 4.078 1.00 0.00 H new ATOM 0 HB VAL A 30 3.377 -11.529 4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.404 -11.158 2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.532 -11.912 3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.758 -12.898 2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.006 -11.514 2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.183 -13.281 2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.331 -12.564 3.805 1.00 0.00 H new ATOM 499 N SER A 31 5.643 -13.931 6.135 1.00 0.00 N ATOM 500 CA SER A 31 6.513 -13.673 7.246 1.00 0.00 C ATOM 501 C SER A 31 7.323 -12.390 6.980 1.00 0.00 C ATOM 502 O SER A 31 8.099 -12.311 6.000 1.00 0.00 O ATOM 503 CB SER A 31 7.436 -14.884 7.475 1.00 0.00 C ATOM 504 OG SER A 31 8.220 -14.742 8.651 1.00 0.00 O ATOM 0 H SER A 31 5.967 -14.677 5.519 1.00 0.00 H new ATOM 0 HA SER A 31 5.925 -13.522 8.151 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.834 -15.790 7.548 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.093 -15.007 6.614 1.00 0.00 H new ATOM 0 HG SER A 31 8.790 -15.531 8.761 1.00 0.00 H new ATOM 510 N GLY A 32 7.123 -11.392 7.809 1.00 0.00 N ATOM 511 CA GLY A 32 7.861 -10.160 7.676 1.00 0.00 C ATOM 512 C GLY A 32 7.100 -9.127 6.889 1.00 0.00 C ATOM 513 O GLY A 32 7.689 -8.315 6.170 1.00 0.00 O ATOM 0 H GLY A 32 6.457 -11.410 8.581 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.089 -9.766 8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.814 -10.360 7.186 1.00 0.00 H new ATOM 517 N ILE A 33 5.798 -9.152 7.007 1.00 0.00 N ATOM 518 CA ILE A 33 4.973 -8.205 6.335 1.00 0.00 C ATOM 519 C ILE A 33 4.348 -7.293 7.376 1.00 0.00 C ATOM 520 O ILE A 33 4.179 -7.694 8.545 1.00 0.00 O ATOM 521 CB ILE A 33 3.845 -8.936 5.506 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.201 -7.983 4.497 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.758 -9.541 6.424 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.254 -8.687 3.528 1.00 0.00 C ATOM 0 H ILE A 33 5.289 -9.831 7.572 1.00 0.00 H new ATOM 0 HA ILE A 33 5.576 -7.624 5.638 1.00 0.00 H new ATOM 0 HB ILE A 33 4.326 -9.752 4.967 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.652 -7.210 5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.984 -7.481 3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.001 -10.035 5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.213 -10.268 7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.293 -8.747 7.009 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.830 -7.957 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.804 -9.441 2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.451 -9.166 4.088 1.00 0.00 H new ATOM 536 N ASP A 34 4.083 -6.072 7.026 1.00 0.00 N ATOM 537 CA ASP A 34 3.268 -5.264 7.903 1.00 0.00 C ATOM 538 C ASP A 34 1.896 -5.431 7.389 1.00 0.00 C ATOM 539 O ASP A 34 1.551 -4.833 6.383 1.00 0.00 O ATOM 540 CB ASP A 34 3.604 -3.774 7.915 1.00 0.00 C ATOM 541 CG ASP A 34 2.808 -3.040 9.027 1.00 0.00 C ATOM 542 OD1 ASP A 34 1.567 -2.990 8.963 1.00 0.00 O ATOM 543 OD2 ASP A 34 3.408 -2.541 9.991 1.00 0.00 O ATOM 0 H ASP A 34 4.403 -5.617 6.171 1.00 0.00 H new ATOM 0 HA ASP A 34 3.426 -5.592 8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.673 -3.639 8.077 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.371 -3.336 6.945 1.00 0.00 H new ATOM 548 N LYS A 35 1.119 -6.252 8.051 1.00 0.00 N ATOM 549 CA LYS A 35 -0.198 -6.641 7.580 1.00 0.00 C ATOM 550 C LYS A 35 -1.187 -5.448 7.512 1.00 0.00 C ATOM 551 O LYS A 35 -2.219 -5.512 6.841 1.00 0.00 O ATOM 552 CB LYS A 35 -0.753 -7.745 8.472 1.00 0.00 C ATOM 553 CG LYS A 35 -1.968 -8.455 7.894 1.00 0.00 C ATOM 554 CD LYS A 35 -2.565 -9.457 8.872 1.00 0.00 C ATOM 555 CE LYS A 35 -3.056 -8.784 10.147 1.00 0.00 C ATOM 556 NZ LYS A 35 -3.692 -9.741 11.059 1.00 0.00 N ATOM 0 H LYS A 35 1.380 -6.676 8.941 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.087 -7.009 6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.032 -8.479 8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.020 -7.317 9.438 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.724 -7.718 7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.684 -8.970 6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.394 -9.980 8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.817 -10.209 9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.217 -8.304 10.651 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.766 -7.998 9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.013 -9.245 11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.508 -10.180 10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.007 -10.478 11.322 1.00 0.00 H new ATOM 570 N ASN A 36 -0.843 -4.360 8.159 1.00 0.00 N ATOM 571 CA ASN A 36 -1.687 -3.202 8.217 1.00 0.00 C ATOM 572 C ASN A 36 -1.378 -2.303 7.044 1.00 0.00 C ATOM 573 O ASN A 36 -2.240 -1.550 6.588 1.00 0.00 O ATOM 574 CB ASN A 36 -1.425 -2.410 9.493 1.00 0.00 C ATOM 575 CG ASN A 36 -1.432 -3.232 10.748 1.00 0.00 C ATOM 576 OD1 ASN A 36 -2.478 -3.439 11.367 1.00 0.00 O ATOM 577 ND2 ASN A 36 -0.267 -3.676 11.155 1.00 0.00 N ATOM 0 H ASN A 36 0.038 -4.258 8.662 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.725 -3.533 8.196 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.459 -1.913 9.405 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.179 -1.628 9.582 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.200 -4.217 12.017 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.572 -3.480 10.610 1.00 0.00 H new ATOM 584 N ALA A 37 -0.160 -2.438 6.504 1.00 0.00 N ATOM 585 CA ALA A 37 0.328 -1.569 5.442 1.00 0.00 C ATOM 586 C ALA A 37 -0.243 -1.963 4.108 1.00 0.00 C ATOM 587 O ALA A 37 -0.044 -1.272 3.111 1.00 0.00 O ATOM 588 CB ALA A 37 1.837 -1.588 5.396 1.00 0.00 C ATOM 0 H ALA A 37 0.508 -3.152 6.794 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.004 -0.554 5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.185 -0.933 4.597 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.234 -1.240 6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.183 -2.605 5.209 1.00 0.00 H new ATOM 594 N LEU A 38 -0.944 -3.082 4.110 1.00 0.00 N ATOM 595 CA LEU A 38 -1.609 -3.602 2.944 1.00 0.00 C ATOM 596 C LEU A 38 -2.858 -2.832 2.671 1.00 0.00 C ATOM 597 O LEU A 38 -3.243 -2.709 1.552 1.00 0.00 O ATOM 598 CB LEU A 38 -1.972 -5.088 3.079 1.00 0.00 C ATOM 599 CG LEU A 38 -0.846 -6.112 2.992 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.073 -6.000 4.118 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.384 -7.500 2.915 1.00 0.00 C ATOM 0 H LEU A 38 -1.065 -3.661 4.941 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.904 -3.498 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.473 -5.223 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.700 -5.326 2.303 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.294 -5.897 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.861 -6.746 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.516 -5.004 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.470 -6.166 5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.557 -8.208 2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.977 -7.710 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.012 -7.598 2.029 1.00 0.00 H new ATOM 613 N ASP A 39 -3.481 -2.297 3.704 1.00 0.00 N ATOM 614 CA ASP A 39 -4.706 -1.542 3.533 1.00 0.00 C ATOM 615 C ASP A 39 -4.375 -0.094 3.226 1.00 0.00 C ATOM 616 O ASP A 39 -4.394 0.784 4.078 1.00 0.00 O ATOM 617 CB ASP A 39 -5.634 -1.702 4.732 1.00 0.00 C ATOM 618 CG ASP A 39 -6.920 -0.900 4.623 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.626 -0.985 3.584 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.270 -0.192 5.587 1.00 0.00 O ATOM 0 H ASP A 39 -3.159 -2.371 4.669 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.258 -1.941 2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.883 -2.757 4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.103 -1.398 5.634 1.00 0.00 H new ATOM 625 N ILE A 40 -3.980 0.090 2.010 1.00 0.00 N ATOM 626 CA ILE A 40 -3.484 1.332 1.481 1.00 0.00 C ATOM 627 C ILE A 40 -4.598 2.340 1.253 1.00 0.00 C ATOM 628 O ILE A 40 -4.425 3.543 1.488 1.00 0.00 O ATOM 629 CB ILE A 40 -2.691 1.058 0.183 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.620 0.023 0.499 1.00 0.00 C ATOM 631 CG2 ILE A 40 -2.037 2.345 -0.332 1.00 0.00 C ATOM 632 CD1 ILE A 40 -0.957 -0.587 -0.694 1.00 0.00 C ATOM 0 H ILE A 40 -3.992 -0.658 1.316 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.816 1.779 2.217 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.363 0.691 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.856 0.491 1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.070 -0.773 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.483 2.131 -1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.808 3.087 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.354 2.733 0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.211 -1.310 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.704 -1.090 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.472 0.194 -1.280 1.00 0.00 H new ATOM 644 N ASN A 41 -5.755 1.862 0.843 1.00 0.00 N ATOM 645 CA ASN A 41 -6.867 2.765 0.575 1.00 0.00 C ATOM 646 C ASN A 41 -7.572 3.141 1.884 1.00 0.00 C ATOM 647 O ASN A 41 -8.360 4.089 1.935 1.00 0.00 O ATOM 648 CB ASN A 41 -7.865 2.173 -0.450 1.00 0.00 C ATOM 649 CG ASN A 41 -8.804 1.110 0.106 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.495 0.399 1.055 1.00 0.00 O ATOM 651 ND2 ASN A 41 -9.937 0.969 -0.502 1.00 0.00 N ATOM 0 H ASN A 41 -5.953 0.873 0.689 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.459 3.670 0.126 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.464 2.985 -0.863 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.301 1.741 -1.277 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.596 0.254 -0.194 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.172 1.573 -1.290 1.00 0.00 H new ATOM 658 N GLY A 42 -7.228 2.418 2.951 1.00 0.00 N ATOM 659 CA GLY A 42 -7.810 2.670 4.250 1.00 0.00 C ATOM 660 C GLY A 42 -9.287 2.293 4.356 1.00 0.00 C ATOM 661 O GLY A 42 -10.126 3.152 4.640 1.00 0.00 O ATOM 0 H GLY A 42 -6.550 1.657 2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.249 2.114 5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.698 3.728 4.487 1.00 0.00 H new ATOM 665 N ASP A 43 -9.618 1.040 4.121 1.00 0.00 N ATOM 666 CA ASP A 43 -11.015 0.586 4.260 1.00 0.00 C ATOM 667 C ASP A 43 -11.162 -0.412 5.398 1.00 0.00 C ATOM 668 O ASP A 43 -12.280 -0.760 5.792 1.00 0.00 O ATOM 669 CB ASP A 43 -11.644 0.019 2.948 1.00 0.00 C ATOM 670 CG ASP A 43 -10.917 -1.154 2.340 1.00 0.00 C ATOM 671 OD1 ASP A 43 -10.775 -1.221 1.121 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.367 -1.982 3.025 1.00 0.00 O ATOM 0 H ASP A 43 -8.960 0.315 3.836 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.581 1.487 4.496 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.671 -0.280 3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.689 0.820 2.210 1.00 0.00 H new ATOM 677 N GLY A 44 -10.039 -0.873 5.912 1.00 0.00 N ATOM 678 CA GLY A 44 -10.057 -1.795 7.019 1.00 0.00 C ATOM 679 C GLY A 44 -9.796 -3.226 6.602 1.00 0.00 C ATOM 680 O GLY A 44 -9.588 -4.098 7.455 1.00 0.00 O ATOM 0 H GLY A 44 -9.108 -0.623 5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.306 -1.492 7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.025 -1.738 7.516 1.00 0.00 H new ATOM 684 N ALA A 45 -9.801 -3.480 5.313 1.00 0.00 N ATOM 685 CA ALA A 45 -9.589 -4.815 4.793 1.00 0.00 C ATOM 686 C ALA A 45 -8.526 -4.815 3.701 1.00 0.00 C ATOM 687 O ALA A 45 -8.280 -3.800 3.055 1.00 0.00 O ATOM 688 CB ALA A 45 -10.898 -5.369 4.253 1.00 0.00 C ATOM 0 H ALA A 45 -9.952 -2.770 4.596 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.236 -5.450 5.605 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.734 -6.373 3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.635 -5.407 5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.264 -4.724 3.454 1.00 0.00 H new ATOM 694 N VAL A 46 -7.915 -5.940 3.494 1.00 0.00 N ATOM 695 CA VAL A 46 -6.910 -6.106 2.512 1.00 0.00 C ATOM 696 C VAL A 46 -7.565 -6.635 1.246 1.00 0.00 C ATOM 697 O VAL A 46 -7.997 -7.801 1.173 1.00 0.00 O ATOM 698 CB VAL A 46 -5.833 -7.081 3.005 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.787 -7.240 1.959 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.211 -6.591 4.310 1.00 0.00 C ATOM 0 H VAL A 46 -8.114 -6.789 4.024 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.426 -5.151 2.310 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.298 -8.048 3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.023 -7.933 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.240 -7.631 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.331 -6.272 1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.451 -7.299 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.753 -5.615 4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.985 -6.509 5.073 1.00 0.00 H new ATOM 710 N ASN A 47 -7.694 -5.771 0.294 1.00 0.00 N ATOM 711 CA ASN A 47 -8.395 -6.059 -0.927 1.00 0.00 C ATOM 712 C ASN A 47 -7.662 -5.565 -2.159 1.00 0.00 C ATOM 713 O ASN A 47 -6.620 -4.926 -2.055 1.00 0.00 O ATOM 714 CB ASN A 47 -9.864 -5.571 -0.840 1.00 0.00 C ATOM 715 CG ASN A 47 -10.040 -4.181 -0.231 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.233 -3.263 -0.419 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.050 -4.035 0.562 1.00 0.00 N ATOM 0 H ASN A 47 -7.311 -4.827 0.337 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.426 -7.142 -1.047 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.292 -5.570 -1.842 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.436 -6.287 -0.249 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.194 -3.149 1.047 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.704 -4.805 0.703 1.00 0.00 H new ATOM 724 N GLY A 48 -8.226 -5.856 -3.332 1.00 0.00 N ATOM 725 CA GLY A 48 -7.616 -5.486 -4.605 1.00 0.00 C ATOM 726 C GLY A 48 -7.607 -3.993 -4.836 1.00 0.00 C ATOM 727 O GLY A 48 -6.893 -3.495 -5.694 1.00 0.00 O ATOM 0 H GLY A 48 -9.113 -6.352 -3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.593 -5.860 -4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.157 -5.972 -5.417 1.00 0.00 H new ATOM 731 N ARG A 49 -8.405 -3.283 -4.056 1.00 0.00 N ATOM 732 CA ARG A 49 -8.442 -1.825 -4.086 1.00 0.00 C ATOM 733 C ARG A 49 -7.101 -1.301 -3.627 1.00 0.00 C ATOM 734 O ARG A 49 -6.547 -0.384 -4.209 1.00 0.00 O ATOM 735 CB ARG A 49 -9.509 -1.304 -3.140 1.00 0.00 C ATOM 736 CG ARG A 49 -10.886 -1.850 -3.392 1.00 0.00 C ATOM 737 CD ARG A 49 -11.397 -1.481 -4.766 1.00 0.00 C ATOM 738 NE ARG A 49 -12.736 -2.019 -5.002 1.00 0.00 N ATOM 739 CZ ARG A 49 -13.207 -2.427 -6.188 1.00 0.00 C ATOM 740 NH1 ARG A 49 -12.453 -2.332 -7.283 1.00 0.00 N ATOM 741 NH2 ARG A 49 -14.441 -2.907 -6.273 1.00 0.00 N ATOM 0 H ARG A 49 -9.048 -3.699 -3.382 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.667 -1.494 -5.100 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.218 -1.544 -2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.544 -0.217 -3.215 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.870 -2.935 -3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.572 -1.469 -2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.416 -0.396 -4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.712 -1.861 -5.524 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.362 -2.089 -4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.511 -1.947 -7.221 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.818 -2.645 -8.183 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.025 -2.964 -5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.806 -3.219 -7.173 1.00 0.00 H new ATOM 755 N ASP A 50 -6.579 -1.945 -2.596 1.00 0.00 N ATOM 756 CA ASP A 50 -5.292 -1.604 -2.013 1.00 0.00 C ATOM 757 C ASP A 50 -4.206 -1.946 -2.977 1.00 0.00 C ATOM 758 O ASP A 50 -3.235 -1.244 -3.090 1.00 0.00 O ATOM 759 CB ASP A 50 -5.042 -2.395 -0.764 1.00 0.00 C ATOM 760 CG ASP A 50 -6.079 -2.239 0.275 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.744 -3.211 0.648 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.330 -1.133 0.735 1.00 0.00 O ATOM 0 H ASP A 50 -7.042 -2.728 -2.135 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.302 -0.539 -1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.964 -3.450 -1.026 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.080 -2.098 -0.347 1.00 0.00 H new ATOM 767 N LEU A 51 -4.396 -3.053 -3.664 1.00 0.00 N ATOM 768 CA LEU A 51 -3.494 -3.511 -4.707 1.00 0.00 C ATOM 769 C LEU A 51 -3.385 -2.457 -5.806 1.00 0.00 C ATOM 770 O LEU A 51 -2.291 -2.108 -6.226 1.00 0.00 O ATOM 771 CB LEU A 51 -4.004 -4.847 -5.258 1.00 0.00 C ATOM 772 CG LEU A 51 -3.355 -5.411 -6.528 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.861 -5.638 -6.357 1.00 0.00 C ATOM 774 CD2 LEU A 51 -4.032 -6.708 -6.886 1.00 0.00 C ATOM 0 H LEU A 51 -5.193 -3.671 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.495 -3.663 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.895 -5.593 -4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.071 -4.740 -5.451 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.480 -4.680 -7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.446 -6.038 -7.282 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.374 -4.692 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.691 -6.347 -5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.578 -7.118 -7.788 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.916 -7.417 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.092 -6.528 -7.063 1.00 0.00 H new ATOM 786 N MET A 52 -4.527 -1.924 -6.223 1.00 0.00 N ATOM 787 CA MET A 52 -4.574 -0.864 -7.234 1.00 0.00 C ATOM 788 C MET A 52 -3.902 0.403 -6.717 1.00 0.00 C ATOM 789 O MET A 52 -3.235 1.112 -7.478 1.00 0.00 O ATOM 790 CB MET A 52 -6.010 -0.572 -7.666 1.00 0.00 C ATOM 791 CG MET A 52 -6.688 -1.724 -8.378 1.00 0.00 C ATOM 792 SD MET A 52 -8.403 -1.364 -8.798 1.00 0.00 S ATOM 793 CE MET A 52 -8.875 -2.903 -9.588 1.00 0.00 C ATOM 0 H MET A 52 -5.443 -2.209 -5.876 1.00 0.00 H new ATOM 0 HA MET A 52 -4.026 -1.214 -8.109 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.596 -0.307 -6.786 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.011 0.298 -8.323 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.136 -1.959 -9.288 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.651 -2.610 -7.745 1.00 0.00 H new ATOM 0 HE1 MET A 52 -9.915 -2.844 -9.908 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.238 -3.077 -10.455 1.00 0.00 H new ATOM 0 HE3 MET A 52 -8.759 -3.725 -8.882 1.00 0.00 H new ATOM 803 N GLU A 53 -4.065 0.665 -5.424 1.00 0.00 N ATOM 804 CA GLU A 53 -3.410 1.778 -4.754 1.00 0.00 C ATOM 805 C GLU A 53 -1.911 1.570 -4.707 1.00 0.00 C ATOM 806 O GLU A 53 -1.161 2.500 -4.874 1.00 0.00 O ATOM 807 CB GLU A 53 -3.923 1.960 -3.334 1.00 0.00 C ATOM 808 CG GLU A 53 -5.340 2.474 -3.229 1.00 0.00 C ATOM 809 CD GLU A 53 -5.497 3.857 -3.817 1.00 0.00 C ATOM 810 OE1 GLU A 53 -5.989 3.971 -4.951 1.00 0.00 O ATOM 811 OE2 GLU A 53 -5.119 4.855 -3.163 1.00 0.00 O ATOM 0 H GLU A 53 -4.659 0.107 -4.810 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.642 2.673 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.860 1.003 -2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.262 2.651 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.012 1.786 -3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.640 2.491 -2.181 1.00 0.00 H new ATOM 818 N LEU A 54 -1.491 0.351 -4.456 1.00 0.00 N ATOM 819 CA LEU A 54 -0.088 0.007 -4.420 1.00 0.00 C ATOM 820 C LEU A 54 0.542 0.225 -5.783 1.00 0.00 C ATOM 821 O LEU A 54 1.611 0.805 -5.887 1.00 0.00 O ATOM 822 CB LEU A 54 0.088 -1.430 -3.979 1.00 0.00 C ATOM 823 CG LEU A 54 1.516 -1.878 -3.692 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.173 -0.958 -2.677 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.505 -3.290 -3.176 1.00 0.00 C ATOM 0 H LEU A 54 -2.116 -0.433 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 54 0.413 0.654 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.507 -1.587 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.325 -2.078 -4.752 1.00 0.00 H new ATOM 0 HG LEU A 54 2.091 -1.833 -4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.192 -1.295 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.195 0.059 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.604 -0.977 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.526 -3.610 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.919 -3.338 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.062 -3.947 -3.924 1.00 0.00 H new ATOM 837 N ILE A 55 -0.149 -0.231 -6.814 1.00 0.00 N ATOM 838 CA ILE A 55 0.261 -0.010 -8.205 1.00 0.00 C ATOM 839 C ILE A 55 0.376 1.504 -8.461 1.00 0.00 C ATOM 840 O ILE A 55 1.352 1.959 -8.997 1.00 0.00 O ATOM 841 CB ILE A 55 -0.744 -0.676 -9.195 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.793 -2.199 -8.940 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.362 -0.385 -10.653 1.00 0.00 C ATOM 844 CD1 ILE A 55 -1.866 -2.944 -9.720 1.00 0.00 C ATOM 0 H ILE A 55 -1.012 -0.766 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 55 1.233 -0.474 -8.374 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.733 -0.252 -9.023 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.179 -2.626 -9.188 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.953 -2.370 -7.875 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.081 -0.862 -11.320 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.369 0.692 -10.823 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.635 -0.778 -10.853 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.823 -4.005 -9.476 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.847 -2.550 -9.455 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.698 -2.811 -10.789 1.00 0.00 H new ATOM 856 N LYS A 56 -0.609 2.250 -7.990 1.00 0.00 N ATOM 857 CA LYS A 56 -0.627 3.726 -8.020 1.00 0.00 C ATOM 858 C LYS A 56 0.629 4.327 -7.344 1.00 0.00 C ATOM 859 O LYS A 56 1.247 5.257 -7.871 1.00 0.00 O ATOM 860 CB LYS A 56 -1.898 4.173 -7.297 1.00 0.00 C ATOM 861 CG LYS A 56 -1.956 5.596 -6.770 1.00 0.00 C ATOM 862 CD LYS A 56 -3.242 5.767 -5.994 1.00 0.00 C ATOM 863 CE LYS A 56 -3.318 7.076 -5.240 1.00 0.00 C ATOM 864 NZ LYS A 56 -4.595 7.178 -4.503 1.00 0.00 N ATOM 0 H LYS A 56 -1.444 1.849 -7.563 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.619 4.080 -9.051 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.736 4.036 -7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.058 3.499 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.097 5.798 -6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.913 6.308 -7.595 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.085 5.703 -6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.344 4.943 -5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.483 7.150 -4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.226 7.909 -5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.587 8.034 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.383 7.232 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.715 6.340 -3.898 1.00 0.00 H new ATOM 878 N LYS A 57 0.989 3.784 -6.192 1.00 0.00 N ATOM 879 CA LYS A 57 2.146 4.235 -5.439 1.00 0.00 C ATOM 880 C LYS A 57 3.438 3.937 -6.189 1.00 0.00 C ATOM 881 O LYS A 57 4.227 4.838 -6.489 1.00 0.00 O ATOM 882 CB LYS A 57 2.200 3.552 -4.057 1.00 0.00 C ATOM 883 CG LYS A 57 0.996 3.780 -3.133 1.00 0.00 C ATOM 884 CD LYS A 57 0.713 5.253 -2.855 1.00 0.00 C ATOM 885 CE LYS A 57 1.887 5.941 -2.172 1.00 0.00 C ATOM 886 NZ LYS A 57 1.618 7.367 -1.895 1.00 0.00 N ATOM 0 H LYS A 57 0.484 3.015 -5.752 1.00 0.00 H new ATOM 0 HA LYS A 57 2.048 5.313 -5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.313 2.479 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.096 3.897 -3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.112 3.327 -3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.171 3.267 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.490 5.762 -3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.173 5.339 -2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.112 5.428 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.772 5.856 -2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.445 7.792 -1.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.429 7.865 -2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.790 7.449 -1.271 1.00 0.00 H new ATOM 900 N VAL A 58 3.615 2.684 -6.524 1.00 0.00 N ATOM 901 CA VAL A 58 4.827 2.194 -7.151 1.00 0.00 C ATOM 902 C VAL A 58 4.989 2.691 -8.588 1.00 0.00 C ATOM 903 O VAL A 58 6.098 2.924 -9.032 1.00 0.00 O ATOM 904 CB VAL A 58 4.863 0.656 -7.079 1.00 0.00 C ATOM 905 CG1 VAL A 58 6.131 0.077 -7.708 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.749 0.224 -5.630 1.00 0.00 C ATOM 0 H VAL A 58 2.913 1.961 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 58 5.675 2.597 -6.598 1.00 0.00 H new ATOM 0 HB VAL A 58 4.021 0.270 -7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.111 -1.010 -7.633 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.182 0.368 -8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.006 0.460 -7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.774 -0.864 -5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.582 0.637 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.809 0.588 -5.215 1.00 0.00 H new