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 Single : A 8 ASN : amide:sc= 0.764 K(o=0.76,f=-3.3!) USER MOD Single : A 14 ASN : amide:sc= 1.74 K(o=1.7,f=-4.4!) USER MOD Single : A 20 MET CE :methyl -174:sc= -0.448 (180deg=-0.508) USER MOD Single : A 21 MET CE :methyl -124:sc= -1.71 (180deg=-2.52) USER MOD Single : A 23 GLN : amide:sc=-0.00253 X(o=-0.0025,f=-0.28) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= -0.0154 (180deg=-0.213) 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= 1.01 K(o=1,f=0) USER MOD Single : A 41 ASN : amide:sc= 0.451 K(o=0.45,f=-2.9!) USER MOD Single : A 47 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.2!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.08) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 3 3.339 2.076 7.432 1.00 0.00 N ATOM 71 CA ILE A 3 3.323 2.909 6.261 1.00 0.00 C ATOM 72 C ILE A 3 2.510 2.242 5.161 1.00 0.00 C ATOM 73 O ILE A 3 2.916 1.234 4.597 1.00 0.00 O ATOM 74 CB ILE A 3 4.777 3.258 5.792 1.00 0.00 C ATOM 75 CG1 ILE A 3 4.808 3.910 4.380 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.713 2.055 5.912 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.201 4.298 3.891 1.00 0.00 C ATOM 0 HA ILE A 3 2.841 3.855 6.508 1.00 0.00 H new ATOM 0 HB ILE A 3 5.158 4.018 6.474 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.366 3.217 3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.180 4.801 4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.712 2.336 5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.756 1.730 6.952 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.339 1.240 5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.127 4.745 2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.642 5.017 4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.830 3.409 3.843 1.00 0.00 H new ATOM 89 N LEU A 4 1.336 2.789 4.912 1.00 0.00 N ATOM 90 CA LEU A 4 0.431 2.292 3.907 1.00 0.00 C ATOM 91 C LEU A 4 1.057 2.408 2.540 1.00 0.00 C ATOM 92 O LEU A 4 1.287 3.517 2.032 1.00 0.00 O ATOM 93 CB LEU A 4 -0.884 3.063 3.946 1.00 0.00 C ATOM 94 CG LEU A 4 -1.628 3.074 5.282 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.950 3.788 5.148 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.824 1.670 5.811 1.00 0.00 C ATOM 0 H LEU A 4 0.983 3.604 5.413 1.00 0.00 H new ATOM 0 HA LEU A 4 0.226 1.242 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.683 4.095 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.548 2.645 3.189 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.017 3.617 6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.464 3.785 6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.777 4.817 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.565 3.279 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.356 1.710 6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.405 1.089 5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.853 1.198 5.958 1.00 0.00 H new ATOM 108 N GLY A 5 1.339 1.285 1.966 1.00 0.00 N ATOM 109 CA GLY A 5 2.000 1.253 0.713 1.00 0.00 C ATOM 110 C GLY A 5 3.296 0.507 0.819 1.00 0.00 C ATOM 111 O GLY A 5 3.796 -0.012 -0.166 1.00 0.00 O ATOM 0 H GLY A 5 1.116 0.369 2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.360 0.777 -0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.187 2.270 0.368 1.00 0.00 H new ATOM 115 N ASP A 6 3.862 0.438 2.010 1.00 0.00 N ATOM 116 CA ASP A 6 5.076 -0.269 2.161 1.00 0.00 C ATOM 117 C ASP A 6 4.856 -1.488 3.013 1.00 0.00 C ATOM 118 O ASP A 6 4.920 -1.455 4.240 1.00 0.00 O ATOM 119 CB ASP A 6 6.145 0.585 2.722 1.00 0.00 C ATOM 120 CG ASP A 6 7.438 0.126 2.248 1.00 0.00 C ATOM 121 OD1 ASP A 6 7.965 -0.889 2.674 1.00 0.00 O ATOM 122 OD2 ASP A 6 7.928 0.684 1.338 1.00 0.00 O ATOM 0 H ASP A 6 3.492 0.862 2.861 1.00 0.00 H new ATOM 0 HA ASP A 6 5.409 -0.584 1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.987 1.623 2.428 1.00 0.00 H new ATOM 0 HB3 ASP A 6 6.114 0.554 3.811 1.00 0.00 H new ATOM 127 N LEU A 7 4.597 -2.549 2.338 1.00 0.00 N ATOM 128 CA LEU A 7 4.172 -3.793 2.916 1.00 0.00 C ATOM 129 C LEU A 7 5.311 -4.578 3.515 1.00 0.00 C ATOM 130 O LEU A 7 5.133 -5.318 4.474 1.00 0.00 O ATOM 131 CB LEU A 7 3.452 -4.631 1.872 1.00 0.00 C ATOM 132 CG LEU A 7 2.033 -4.196 1.457 1.00 0.00 C ATOM 133 CD1 LEU A 7 1.981 -2.842 0.785 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.462 -5.203 0.545 1.00 0.00 C ATOM 0 H LEU A 7 4.676 -2.586 1.322 1.00 0.00 H new ATOM 0 HA LEU A 7 3.491 -3.550 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.071 -4.654 0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.393 -5.653 2.245 1.00 0.00 H new ATOM 0 HG LEU A 7 1.455 -4.114 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.950 -2.605 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.365 -2.083 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.590 -2.861 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.458 -4.898 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.091 -5.289 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.414 -6.167 1.051 1.00 0.00 H new ATOM 146 N ASN A 8 6.466 -4.443 2.940 1.00 0.00 N ATOM 147 CA ASN A 8 7.636 -5.161 3.424 1.00 0.00 C ATOM 148 C ASN A 8 8.425 -4.329 4.424 1.00 0.00 C ATOM 149 O ASN A 8 9.368 -4.829 5.053 1.00 0.00 O ATOM 150 CB ASN A 8 8.521 -5.669 2.265 1.00 0.00 C ATOM 151 CG ASN A 8 9.136 -4.584 1.390 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.605 -3.473 1.235 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.220 -4.907 0.769 1.00 0.00 N ATOM 0 H ASN A 8 6.638 -3.844 2.132 1.00 0.00 H new ATOM 0 HA ASN A 8 7.278 -6.044 3.953 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.325 -6.275 2.683 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.922 -6.326 1.634 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.661 -4.242 0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.636 -5.827 0.914 1.00 0.00 H new ATOM 160 N ASP A 9 7.993 -3.077 4.590 1.00 0.00 N ATOM 161 CA ASP A 9 8.596 -2.097 5.506 1.00 0.00 C ATOM 162 C ASP A 9 10.069 -1.877 5.201 1.00 0.00 C ATOM 163 O ASP A 9 10.982 -2.264 5.950 1.00 0.00 O ATOM 164 CB ASP A 9 8.314 -2.404 6.988 1.00 0.00 C ATOM 165 CG ASP A 9 8.944 -1.414 7.962 1.00 0.00 C ATOM 166 OD1 ASP A 9 9.609 -1.868 8.923 1.00 0.00 O ATOM 167 OD2 ASP A 9 8.808 -0.182 7.787 1.00 0.00 O ATOM 0 H ASP A 9 7.193 -2.704 4.079 1.00 0.00 H new ATOM 0 HA ASP A 9 8.099 -1.144 5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.236 -2.416 7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.681 -3.405 7.216 1.00 0.00 H new ATOM 172 N ASP A 10 10.292 -1.387 4.025 1.00 0.00 N ATOM 173 CA ASP A 10 11.621 -1.046 3.566 1.00 0.00 C ATOM 174 C ASP A 10 11.738 0.467 3.438 1.00 0.00 C ATOM 175 O ASP A 10 12.833 1.011 3.356 1.00 0.00 O ATOM 176 CB ASP A 10 12.028 -1.797 2.245 1.00 0.00 C ATOM 177 CG ASP A 10 11.176 -1.493 1.020 1.00 0.00 C ATOM 178 OD1 ASP A 10 11.082 -2.327 0.096 1.00 0.00 O ATOM 179 OD2 ASP A 10 10.506 -0.496 0.973 1.00 0.00 O ATOM 0 H ASP A 10 9.557 -1.206 3.341 1.00 0.00 H new ATOM 0 HA ASP A 10 12.338 -1.391 4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.064 -1.550 2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.990 -2.870 2.433 1.00 0.00 H new ATOM 184 N GLY A 11 10.587 1.138 3.443 1.00 0.00 N ATOM 185 CA GLY A 11 10.555 2.591 3.414 1.00 0.00 C ATOM 186 C GLY A 11 10.374 3.203 2.036 1.00 0.00 C ATOM 187 O GLY A 11 10.512 4.411 1.883 1.00 0.00 O ATOM 0 H GLY A 11 9.668 0.695 3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.744 2.934 4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.483 2.968 3.843 1.00 0.00 H new ATOM 191 N VAL A 12 10.047 2.399 1.057 1.00 0.00 N ATOM 192 CA VAL A 12 9.891 2.857 -0.313 1.00 0.00 C ATOM 193 C VAL A 12 8.971 1.901 -1.114 1.00 0.00 C ATOM 194 O VAL A 12 9.184 0.662 -1.149 1.00 0.00 O ATOM 195 CB VAL A 12 11.283 3.059 -1.004 1.00 0.00 C ATOM 196 CG1 VAL A 12 12.150 1.809 -0.900 1.00 0.00 C ATOM 197 CG2 VAL A 12 11.129 3.509 -2.453 1.00 0.00 C ATOM 0 H VAL A 12 9.879 1.401 1.182 1.00 0.00 H new ATOM 0 HA VAL A 12 9.403 3.832 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 12 11.796 3.856 -0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.107 1.988 -1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.320 1.570 0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.644 0.974 -1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.114 3.639 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.574 2.755 -3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.588 4.455 -2.485 1.00 0.00 H new ATOM 207 N VAL A 13 7.932 2.452 -1.697 1.00 0.00 N ATOM 208 CA VAL A 13 6.964 1.689 -2.448 1.00 0.00 C ATOM 209 C VAL A 13 7.577 1.115 -3.766 1.00 0.00 C ATOM 210 O VAL A 13 7.727 1.821 -4.764 1.00 0.00 O ATOM 211 CB VAL A 13 5.686 2.552 -2.747 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.903 2.803 -1.464 1.00 0.00 C ATOM 213 CG2 VAL A 13 6.055 3.905 -3.388 1.00 0.00 C ATOM 0 H VAL A 13 7.734 3.452 -1.663 1.00 0.00 H new ATOM 0 HA VAL A 13 6.666 0.839 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 13 5.071 1.990 -3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.020 3.402 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.595 1.850 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.533 3.336 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.147 4.476 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.698 4.465 -2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.581 3.731 -4.327 1.00 0.00 H new ATOM 223 N ASN A 14 7.999 -0.136 -3.730 1.00 0.00 N ATOM 224 CA ASN A 14 8.597 -0.768 -4.898 1.00 0.00 C ATOM 225 C ASN A 14 7.887 -2.069 -5.231 1.00 0.00 C ATOM 226 O ASN A 14 6.853 -2.383 -4.650 1.00 0.00 O ATOM 227 CB ASN A 14 10.119 -0.974 -4.743 1.00 0.00 C ATOM 228 CG ASN A 14 10.506 -1.930 -3.650 1.00 0.00 C ATOM 229 OD1 ASN A 14 10.644 -3.122 -3.868 1.00 0.00 O ATOM 230 ND2 ASN A 14 10.692 -1.413 -2.494 1.00 0.00 N ATOM 0 H ASN A 14 7.940 -0.736 -2.907 1.00 0.00 H new ATOM 0 HA ASN A 14 8.464 -0.085 -5.737 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.523 -1.338 -5.688 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.586 -0.009 -4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.967 -2.004 -1.709 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.565 -0.410 -2.357 1.00 0.00 H new ATOM 237 N GLY A 15 8.486 -2.847 -6.109 1.00 0.00 N ATOM 238 CA GLY A 15 7.887 -4.082 -6.593 1.00 0.00 C ATOM 239 C GLY A 15 7.749 -5.162 -5.540 1.00 0.00 C ATOM 240 O GLY A 15 6.884 -6.021 -5.650 1.00 0.00 O ATOM 0 H GLY A 15 9.402 -2.644 -6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.900 -3.859 -6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.491 -4.467 -7.415 1.00 0.00 H new ATOM 244 N ARG A 16 8.584 -5.103 -4.508 1.00 0.00 N ATOM 245 CA ARG A 16 8.537 -6.068 -3.408 1.00 0.00 C ATOM 246 C ARG A 16 7.235 -5.981 -2.671 1.00 0.00 C ATOM 247 O ARG A 16 6.718 -6.975 -2.201 1.00 0.00 O ATOM 248 CB ARG A 16 9.675 -5.829 -2.438 1.00 0.00 C ATOM 249 CG ARG A 16 11.031 -6.189 -2.978 1.00 0.00 C ATOM 250 CD ARG A 16 11.155 -7.692 -3.138 1.00 0.00 C ATOM 251 NE ARG A 16 12.480 -8.110 -3.596 1.00 0.00 N ATOM 252 CZ ARG A 16 12.779 -9.329 -4.062 1.00 0.00 C ATOM 253 NH1 ARG A 16 11.825 -10.254 -4.198 1.00 0.00 N ATOM 254 NH2 ARG A 16 14.026 -9.620 -4.383 1.00 0.00 N ATOM 0 H ARG A 16 9.308 -4.392 -4.408 1.00 0.00 H new ATOM 0 HA ARG A 16 8.634 -7.063 -3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.678 -4.777 -2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.492 -6.406 -1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.188 -5.700 -3.940 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.806 -5.823 -2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.938 -8.173 -2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.405 -8.040 -3.848 1.00 0.00 H new ATOM 0 HE ARG A 16 13.232 -7.422 -3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.861 -10.034 -3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.060 -11.181 -4.554 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.758 -8.917 -4.276 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.258 -10.548 -4.738 1.00 0.00 H new ATOM 268 N ASP A 17 6.697 -4.786 -2.613 1.00 0.00 N ATOM 269 CA ASP A 17 5.451 -4.515 -1.937 1.00 0.00 C ATOM 270 C ASP A 17 4.329 -5.196 -2.673 1.00 0.00 C ATOM 271 O ASP A 17 3.472 -5.818 -2.060 1.00 0.00 O ATOM 272 CB ASP A 17 5.218 -3.016 -1.856 1.00 0.00 C ATOM 273 CG ASP A 17 6.329 -2.324 -1.095 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.300 -2.254 0.130 1.00 0.00 O ATOM 275 OD2 ASP A 17 7.335 -1.871 -1.691 1.00 0.00 O ATOM 0 H ASP A 17 7.119 -3.962 -3.041 1.00 0.00 H new ATOM 0 HA ASP A 17 5.491 -4.905 -0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.151 -2.602 -2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.264 -2.821 -1.367 1.00 0.00 H new ATOM 280 N ILE A 18 4.377 -5.093 -4.005 1.00 0.00 N ATOM 281 CA ILE A 18 3.451 -5.777 -4.929 1.00 0.00 C ATOM 282 C ILE A 18 3.394 -7.274 -4.627 1.00 0.00 C ATOM 283 O ILE A 18 2.309 -7.873 -4.582 1.00 0.00 O ATOM 284 CB ILE A 18 3.880 -5.570 -6.448 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.546 -4.181 -6.979 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.276 -6.616 -7.382 1.00 0.00 C ATOM 287 CD1 ILE A 18 4.173 -3.043 -6.280 1.00 0.00 C ATOM 0 H ILE A 18 5.072 -4.522 -4.486 1.00 0.00 H new ATOM 0 HA ILE A 18 2.466 -5.334 -4.779 1.00 0.00 H new ATOM 0 HB ILE A 18 4.964 -5.688 -6.441 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.835 -4.138 -8.029 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.464 -4.052 -6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.604 -6.424 -8.404 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.604 -7.609 -7.076 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.188 -6.562 -7.334 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.859 -2.110 -6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.866 -3.044 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.258 -3.132 -6.340 1.00 0.00 H new ATOM 299 N VAL A 19 4.561 -7.849 -4.405 1.00 0.00 N ATOM 300 CA VAL A 19 4.704 -9.264 -4.110 1.00 0.00 C ATOM 301 C VAL A 19 3.953 -9.601 -2.841 1.00 0.00 C ATOM 302 O VAL A 19 3.049 -10.418 -2.861 1.00 0.00 O ATOM 303 CB VAL A 19 6.190 -9.663 -3.928 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.357 -11.170 -3.771 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.018 -9.145 -5.074 1.00 0.00 C ATOM 0 H VAL A 19 5.446 -7.342 -4.424 1.00 0.00 H new ATOM 0 HA VAL A 19 4.295 -9.818 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 19 6.546 -9.203 -3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.413 -11.408 -3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.803 -11.508 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.975 -11.673 -4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.059 -9.434 -4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.650 -9.567 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.945 -8.058 -5.113 1.00 0.00 H new ATOM 315 N MET A 20 4.285 -8.879 -1.767 1.00 0.00 N ATOM 316 CA MET A 20 3.719 -9.098 -0.416 1.00 0.00 C ATOM 317 C MET A 20 2.194 -8.964 -0.448 1.00 0.00 C ATOM 318 O MET A 20 1.469 -9.741 0.190 1.00 0.00 O ATOM 319 CB MET A 20 4.280 -8.062 0.560 1.00 0.00 C ATOM 320 CG MET A 20 5.794 -7.889 0.499 1.00 0.00 C ATOM 321 SD MET A 20 6.745 -9.282 1.118 1.00 0.00 S ATOM 322 CE MET A 20 6.513 -9.084 2.882 1.00 0.00 C ATOM 0 H MET A 20 4.961 -8.116 -1.803 1.00 0.00 H new ATOM 0 HA MET A 20 3.991 -10.102 -0.091 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.809 -7.100 0.359 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.000 -8.348 1.574 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.082 -7.704 -0.536 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.066 -7.001 1.069 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.129 -9.809 3.414 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.804 -8.076 3.176 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.464 -9.246 3.132 1.00 0.00 H new ATOM 332 N MET A 21 1.741 -7.973 -1.212 1.00 0.00 N ATOM 333 CA MET A 21 0.323 -7.670 -1.454 1.00 0.00 C ATOM 334 C MET A 21 -0.367 -8.912 -1.967 1.00 0.00 C ATOM 335 O MET A 21 -1.292 -9.435 -1.344 1.00 0.00 O ATOM 336 CB MET A 21 0.256 -6.578 -2.540 1.00 0.00 C ATOM 337 CG MET A 21 -1.122 -6.004 -2.924 1.00 0.00 C ATOM 338 SD MET A 21 -1.702 -4.606 -1.934 1.00 0.00 S ATOM 339 CE MET A 21 -2.156 -5.343 -0.392 1.00 0.00 C ATOM 0 H MET A 21 2.369 -7.333 -1.699 1.00 0.00 H new ATOM 0 HA MET A 21 -0.161 -7.336 -0.536 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.881 -5.747 -2.213 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.710 -6.982 -3.445 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.086 -5.694 -3.968 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.859 -6.804 -2.854 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.194 -5.101 -0.165 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.042 -6.425 -0.458 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.512 -4.958 0.399 1.00 0.00 H new ATOM 349 N ARG A 22 0.171 -9.417 -3.056 1.00 0.00 N ATOM 350 CA ARG A 22 -0.357 -10.554 -3.763 1.00 0.00 C ATOM 351 C ARG A 22 -0.245 -11.848 -2.970 1.00 0.00 C ATOM 352 O ARG A 22 -1.060 -12.738 -3.145 1.00 0.00 O ATOM 353 CB ARG A 22 0.310 -10.655 -5.128 1.00 0.00 C ATOM 354 CG ARG A 22 -0.144 -9.564 -6.083 1.00 0.00 C ATOM 355 CD ARG A 22 0.717 -9.494 -7.326 1.00 0.00 C ATOM 356 NE ARG A 22 0.116 -8.612 -8.344 1.00 0.00 N ATOM 357 CZ ARG A 22 0.647 -8.340 -9.549 1.00 0.00 C ATOM 358 NH1 ARG A 22 1.852 -8.807 -9.868 1.00 0.00 N ATOM 359 NH2 ARG A 22 -0.026 -7.582 -10.416 1.00 0.00 N ATOM 0 H ARG A 22 1.014 -9.033 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.427 -10.400 -3.904 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.391 -10.598 -5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.090 -11.629 -5.564 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.180 -9.744 -6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.118 -8.602 -5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.709 -9.127 -7.064 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.846 -10.495 -7.739 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.775 -8.172 -8.115 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.374 -9.372 -9.198 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.254 -8.600 -10.782 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.942 -7.210 -10.164 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.375 -7.375 -11.331 1.00 0.00 H new ATOM 373 N GLN A 23 0.754 -11.944 -2.085 1.00 0.00 N ATOM 374 CA GLN A 23 0.912 -13.114 -1.237 1.00 0.00 C ATOM 375 C GLN A 23 -0.271 -13.241 -0.288 1.00 0.00 C ATOM 376 O GLN A 23 -0.927 -14.278 -0.232 1.00 0.00 O ATOM 377 CB GLN A 23 2.170 -13.014 -0.398 1.00 0.00 C ATOM 378 CG GLN A 23 3.465 -12.823 -1.163 1.00 0.00 C ATOM 379 CD GLN A 23 3.757 -13.936 -2.146 1.00 0.00 C ATOM 380 OE1 GLN A 23 4.395 -14.935 -1.807 1.00 0.00 O ATOM 381 NE2 GLN A 23 3.345 -13.762 -3.366 1.00 0.00 N ATOM 0 H GLN A 23 1.461 -11.222 -1.943 1.00 0.00 H new ATOM 0 HA GLN A 23 0.974 -13.983 -1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.055 -12.181 0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.256 -13.920 0.202 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.423 -11.876 -1.701 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.289 -12.751 -0.453 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.819 -12.923 -3.612 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.547 -14.464 -4.078 1.00 0.00 H new ATOM 390 N TYR A 24 -0.558 -12.164 0.431 1.00 0.00 N ATOM 391 CA TYR A 24 -1.642 -12.152 1.407 1.00 0.00 C ATOM 392 C TYR A 24 -2.973 -12.313 0.699 1.00 0.00 C ATOM 393 O TYR A 24 -3.839 -13.052 1.143 1.00 0.00 O ATOM 394 CB TYR A 24 -1.611 -10.852 2.194 1.00 0.00 C ATOM 395 CG TYR A 24 -2.617 -10.773 3.340 1.00 0.00 C ATOM 396 CD1 TYR A 24 -3.919 -10.361 3.116 1.00 0.00 C ATOM 397 CD2 TYR A 24 -2.257 -11.106 4.638 1.00 0.00 C ATOM 398 CE1 TYR A 24 -4.830 -10.276 4.132 1.00 0.00 C ATOM 399 CE2 TYR A 24 -3.173 -11.026 5.676 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.464 -10.608 5.414 1.00 0.00 C ATOM 401 OH TYR A 24 -5.396 -10.512 6.445 1.00 0.00 O ATOM 0 H TYR A 24 -0.052 -11.281 0.356 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.514 -12.983 2.101 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.609 -10.713 2.599 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.796 -10.025 1.509 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.223 -10.100 2.113 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.248 -11.432 4.843 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.838 -9.948 3.927 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.880 -11.288 6.682 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.979 -10.784 7.289 1.00 0.00 H new ATOM 411 N LEU A 25 -3.101 -11.630 -0.412 1.00 0.00 N ATOM 412 CA LEU A 25 -4.312 -11.707 -1.275 1.00 0.00 C ATOM 413 C LEU A 25 -4.561 -13.127 -1.801 1.00 0.00 C ATOM 414 O LEU A 25 -5.688 -13.477 -2.163 1.00 0.00 O ATOM 415 CB LEU A 25 -4.232 -10.743 -2.470 1.00 0.00 C ATOM 416 CG LEU A 25 -4.240 -9.242 -2.167 1.00 0.00 C ATOM 417 CD1 LEU A 25 -4.066 -8.448 -3.451 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.525 -8.822 -1.468 1.00 0.00 C ATOM 0 H LEU A 25 -2.383 -10.998 -0.766 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.145 -11.415 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.322 -10.970 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.071 -10.957 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.407 -9.033 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.073 -7.382 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.117 -8.713 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.883 -8.679 -4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.497 -7.751 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.378 -9.050 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.622 -9.364 -0.527 1.00 0.00 H new ATOM 430 N ALA A 26 -3.507 -13.914 -1.883 1.00 0.00 N ATOM 431 CA ALA A 26 -3.597 -15.304 -2.321 1.00 0.00 C ATOM 432 C ALA A 26 -3.869 -16.240 -1.138 1.00 0.00 C ATOM 433 O ALA A 26 -4.150 -17.430 -1.326 1.00 0.00 O ATOM 434 CB ALA A 26 -2.320 -15.716 -3.032 1.00 0.00 C ATOM 0 H ALA A 26 -2.561 -13.613 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.432 -15.385 -3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.401 -16.754 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.166 -15.078 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.475 -15.612 -2.352 1.00 0.00 H new ATOM 440 N GLY A 27 -3.792 -15.699 0.062 1.00 0.00 N ATOM 441 CA GLY A 27 -4.019 -16.472 1.250 1.00 0.00 C ATOM 442 C GLY A 27 -2.758 -17.138 1.750 1.00 0.00 C ATOM 443 O GLY A 27 -2.816 -18.166 2.425 1.00 0.00 O ATOM 0 H GLY A 27 -3.571 -14.718 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.420 -15.825 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.773 -17.232 1.048 1.00 0.00 H new ATOM 447 N LYS A 28 -1.617 -16.573 1.403 1.00 0.00 N ATOM 448 CA LYS A 28 -0.339 -17.112 1.829 1.00 0.00 C ATOM 449 C LYS A 28 0.084 -16.427 3.106 1.00 0.00 C ATOM 450 O LYS A 28 -0.318 -15.290 3.373 1.00 0.00 O ATOM 451 CB LYS A 28 0.742 -16.862 0.771 1.00 0.00 C ATOM 452 CG LYS A 28 0.356 -17.279 -0.637 1.00 0.00 C ATOM 453 CD LYS A 28 1.424 -16.890 -1.655 1.00 0.00 C ATOM 454 CE LYS A 28 2.705 -17.701 -1.513 1.00 0.00 C ATOM 455 NZ LYS A 28 2.487 -19.129 -1.778 1.00 0.00 N ATOM 0 H LYS A 28 -1.549 -15.736 0.824 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.453 -18.186 1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.989 -15.800 0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.646 -17.398 1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.201 -18.357 -0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.591 -16.813 -0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.025 -17.024 -2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.657 -15.831 -1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.456 -17.315 -2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.103 -17.576 -0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.405 -19.606 -1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.969 -19.554 -0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.933 -19.239 -2.651 1.00 0.00 H new ATOM 469 N THR A 29 0.867 -17.102 3.884 1.00 0.00 N ATOM 470 CA THR A 29 1.416 -16.541 5.082 1.00 0.00 C ATOM 471 C THR A 29 2.666 -15.785 4.668 1.00 0.00 C ATOM 472 O THR A 29 3.614 -16.391 4.145 1.00 0.00 O ATOM 473 CB THR A 29 1.799 -17.657 6.072 1.00 0.00 C ATOM 474 OG1 THR A 29 0.683 -18.552 6.236 1.00 0.00 O ATOM 475 CG2 THR A 29 2.171 -17.072 7.426 1.00 0.00 C ATOM 0 H THR A 29 1.148 -18.067 3.707 1.00 0.00 H new ATOM 0 HA THR A 29 0.692 -15.891 5.572 1.00 0.00 H new ATOM 0 HB THR A 29 2.659 -18.195 5.673 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.924 -19.264 6.864 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.438 -17.878 8.110 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.020 -16.398 7.310 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.322 -16.520 7.830 1.00 0.00 H new ATOM 483 N VAL A 30 2.667 -14.488 4.832 1.00 0.00 N ATOM 484 CA VAL A 30 3.772 -13.718 4.386 1.00 0.00 C ATOM 485 C VAL A 30 4.657 -13.408 5.574 1.00 0.00 C ATOM 486 O VAL A 30 4.216 -12.792 6.552 1.00 0.00 O ATOM 487 CB VAL A 30 3.337 -12.401 3.715 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.400 -11.930 2.749 1.00 0.00 C ATOM 489 CG2 VAL A 30 1.983 -12.517 3.029 1.00 0.00 C ATOM 0 H VAL A 30 1.915 -13.956 5.270 1.00 0.00 H new ATOM 0 HA VAL A 30 4.309 -14.301 3.638 1.00 0.00 H new ATOM 0 HB VAL A 30 3.221 -11.656 4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.080 -10.999 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.333 -11.764 3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.554 -12.687 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.723 -11.562 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.030 -13.287 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.224 -12.786 3.764 1.00 0.00 H new ATOM 499 N SER A 31 5.855 -13.888 5.515 1.00 0.00 N ATOM 500 CA SER A 31 6.828 -13.682 6.540 1.00 0.00 C ATOM 501 C SER A 31 7.385 -12.261 6.458 1.00 0.00 C ATOM 502 O SER A 31 7.823 -11.813 5.382 1.00 0.00 O ATOM 503 CB SER A 31 7.946 -14.721 6.393 1.00 0.00 C ATOM 504 OG SER A 31 8.927 -14.593 7.402 1.00 0.00 O ATOM 0 H SER A 31 6.194 -14.449 4.733 1.00 0.00 H new ATOM 0 HA SER A 31 6.363 -13.804 7.518 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.517 -15.722 6.430 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.416 -14.612 5.415 1.00 0.00 H new ATOM 0 HG SER A 31 9.620 -15.274 7.273 1.00 0.00 H new ATOM 510 N GLY A 32 7.327 -11.553 7.573 1.00 0.00 N ATOM 511 CA GLY A 32 7.878 -10.229 7.647 1.00 0.00 C ATOM 512 C GLY A 32 7.086 -9.214 6.876 1.00 0.00 C ATOM 513 O GLY A 32 7.656 -8.282 6.291 1.00 0.00 O ATOM 0 H GLY A 32 6.900 -11.883 8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.930 -9.922 8.692 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.900 -10.246 7.269 1.00 0.00 H new ATOM 517 N ILE A 33 5.796 -9.380 6.835 1.00 0.00 N ATOM 518 CA ILE A 33 4.967 -8.435 6.170 1.00 0.00 C ATOM 519 C ILE A 33 4.391 -7.521 7.225 1.00 0.00 C ATOM 520 O ILE A 33 4.248 -7.923 8.395 1.00 0.00 O ATOM 521 CB ILE A 33 3.805 -9.133 5.356 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.143 -8.135 4.397 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.744 -9.762 6.281 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.104 -8.765 3.485 1.00 0.00 C ATOM 0 H ILE A 33 5.300 -10.165 7.257 1.00 0.00 H new ATOM 0 HA ILE A 33 5.561 -7.878 5.445 1.00 0.00 H new ATOM 0 HB ILE A 33 4.258 -9.939 4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.671 -7.343 4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.914 -7.665 3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.966 -10.230 5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.214 -10.515 6.914 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.301 -8.987 6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.678 -8.000 2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.574 -9.537 2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.313 -9.210 4.088 1.00 0.00 H new ATOM 536 N ASP A 34 4.132 -6.302 6.885 1.00 0.00 N ATOM 537 CA ASP A 34 3.403 -5.495 7.795 1.00 0.00 C ATOM 538 C ASP A 34 1.999 -5.578 7.338 1.00 0.00 C ATOM 539 O ASP A 34 1.621 -4.879 6.419 1.00 0.00 O ATOM 540 CB ASP A 34 3.818 -4.035 7.836 1.00 0.00 C ATOM 541 CG ASP A 34 3.265 -3.352 9.096 1.00 0.00 C ATOM 542 OD1 ASP A 34 4.006 -2.589 9.727 1.00 0.00 O ATOM 543 OD2 ASP A 34 2.100 -3.644 9.524 1.00 0.00 O ATOM 0 H ASP A 34 4.406 -5.856 6.010 1.00 0.00 H new ATOM 0 HA ASP A 34 3.580 -5.863 8.806 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.905 -3.960 7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.452 -3.522 6.947 1.00 0.00 H new ATOM 548 N LYS A 35 1.236 -6.445 7.969 1.00 0.00 N ATOM 549 CA LYS A 35 -0.127 -6.773 7.581 1.00 0.00 C ATOM 550 C LYS A 35 -1.047 -5.531 7.571 1.00 0.00 C ATOM 551 O LYS A 35 -2.071 -5.502 6.882 1.00 0.00 O ATOM 552 CB LYS A 35 -0.688 -7.812 8.547 1.00 0.00 C ATOM 553 CG LYS A 35 -1.942 -8.508 8.046 1.00 0.00 C ATOM 554 CD LYS A 35 -2.641 -9.307 9.145 1.00 0.00 C ATOM 555 CE LYS A 35 -3.229 -8.397 10.224 1.00 0.00 C ATOM 556 NZ LYS A 35 -3.949 -9.152 11.265 1.00 0.00 N ATOM 0 H LYS A 35 1.553 -6.959 8.791 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.098 -7.168 6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.078 -8.562 8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.909 -7.327 9.498 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.632 -7.765 7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.681 -9.176 7.225 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.436 -9.910 8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.931 -9.998 9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.427 -7.821 10.686 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.909 -7.682 9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.329 -8.491 11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.732 -9.682 10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.295 -9.816 11.727 1.00 0.00 H new ATOM 570 N ASN A 36 -0.661 -4.504 8.295 1.00 0.00 N ATOM 571 CA ASN A 36 -1.458 -3.316 8.431 1.00 0.00 C ATOM 572 C ASN A 36 -1.187 -2.361 7.286 1.00 0.00 C ATOM 573 O ASN A 36 -2.025 -1.544 6.948 1.00 0.00 O ATOM 574 CB ASN A 36 -1.137 -2.610 9.740 1.00 0.00 C ATOM 575 CG ASN A 36 -1.194 -3.504 10.946 1.00 0.00 C ATOM 576 OD1 ASN A 36 -2.247 -3.710 11.548 1.00 0.00 O ATOM 577 ND2 ASN A 36 -0.060 -4.005 11.335 1.00 0.00 N ATOM 0 H ASN A 36 0.221 -4.474 8.807 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.507 -3.613 8.420 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.141 -2.174 9.671 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.837 -1.786 9.878 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.021 -4.593 12.168 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.791 -3.810 10.808 1.00 0.00 H new ATOM 584 N ALA A 37 -0.038 -2.522 6.638 1.00 0.00 N ATOM 585 CA ALA A 37 0.404 -1.596 5.600 1.00 0.00 C ATOM 586 C ALA A 37 -0.211 -1.935 4.257 1.00 0.00 C ATOM 587 O ALA A 37 -0.025 -1.212 3.275 1.00 0.00 O ATOM 588 CB ALA A 37 1.911 -1.610 5.511 1.00 0.00 C ATOM 0 H ALA A 37 0.609 -3.291 6.815 1.00 0.00 H new ATOM 0 HA ALA A 37 0.070 -0.594 5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.236 -0.917 4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.335 -1.307 6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.252 -2.616 5.265 1.00 0.00 H new ATOM 594 N LEU A 38 -0.956 -3.030 4.238 1.00 0.00 N ATOM 595 CA LEU A 38 -1.612 -3.525 3.043 1.00 0.00 C ATOM 596 C LEU A 38 -2.843 -2.749 2.725 1.00 0.00 C ATOM 597 O LEU A 38 -3.185 -2.612 1.578 1.00 0.00 O ATOM 598 CB LEU A 38 -1.990 -5.005 3.151 1.00 0.00 C ATOM 599 CG LEU A 38 -0.877 -6.033 3.012 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.072 -5.963 4.127 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.436 -7.412 2.891 1.00 0.00 C ATOM 0 H LEU A 38 -1.122 -3.605 5.064 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.882 -3.403 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.469 -5.159 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.738 -5.216 2.387 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.333 -5.795 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.851 -6.713 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.524 -4.972 4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.453 -6.152 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.620 -8.128 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.020 -7.647 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.077 -7.469 2.011 1.00 0.00 H new ATOM 613 N ASP A 39 -3.521 -2.247 3.737 1.00 0.00 N ATOM 614 CA ASP A 39 -4.740 -1.507 3.503 1.00 0.00 C ATOM 615 C ASP A 39 -4.424 -0.057 3.174 1.00 0.00 C ATOM 616 O ASP A 39 -4.465 0.842 4.015 1.00 0.00 O ATOM 617 CB ASP A 39 -5.728 -1.671 4.645 1.00 0.00 C ATOM 618 CG ASP A 39 -6.992 -0.877 4.447 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.639 -0.999 3.391 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.387 -0.153 5.346 1.00 0.00 O ATOM 0 H ASP A 39 -3.252 -2.337 4.717 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.242 -1.925 2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.981 -2.726 4.751 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.253 -1.362 5.576 1.00 0.00 H new ATOM 625 N ILE A 40 -4.017 0.109 1.948 1.00 0.00 N ATOM 626 CA ILE A 40 -3.537 1.344 1.388 1.00 0.00 C ATOM 627 C ILE A 40 -4.665 2.316 1.120 1.00 0.00 C ATOM 628 O ILE A 40 -4.520 3.534 1.316 1.00 0.00 O ATOM 629 CB ILE A 40 -2.739 1.050 0.098 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.654 0.039 0.426 1.00 0.00 C ATOM 631 CG2 ILE A 40 -2.094 2.334 -0.436 1.00 0.00 C ATOM 632 CD1 ILE A 40 -1.039 -0.626 -0.762 1.00 0.00 C ATOM 0 H ILE A 40 -4.010 -0.656 1.273 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.879 1.819 2.116 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.411 0.657 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.869 0.540 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.075 -0.727 1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.536 2.110 -1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.870 3.066 -0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.417 2.740 0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.276 -1.330 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.809 -1.161 -1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.583 0.127 -1.405 1.00 0.00 H new ATOM 644 N ASN A 41 -5.808 1.802 0.707 1.00 0.00 N ATOM 645 CA ASN A 41 -6.926 2.684 0.401 1.00 0.00 C ATOM 646 C ASN A 41 -7.657 3.081 1.678 1.00 0.00 C ATOM 647 O ASN A 41 -8.519 3.963 1.660 1.00 0.00 O ATOM 648 CB ASN A 41 -7.905 2.078 -0.627 1.00 0.00 C ATOM 649 CG ASN A 41 -8.842 1.019 -0.082 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.534 0.298 0.850 1.00 0.00 O ATOM 651 ND2 ASN A 41 -9.983 0.906 -0.676 1.00 0.00 N ATOM 0 H ASN A 41 -5.989 0.807 0.577 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.507 3.577 -0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.502 2.884 -1.054 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.327 1.643 -1.442 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.651 0.200 -0.367 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.216 1.523 -1.454 1.00 0.00 H new ATOM 658 N GLY A 42 -7.282 2.434 2.783 1.00 0.00 N ATOM 659 CA GLY A 42 -7.884 2.734 4.058 1.00 0.00 C ATOM 660 C GLY A 42 -9.353 2.346 4.154 1.00 0.00 C ATOM 661 O GLY A 42 -10.206 3.206 4.365 1.00 0.00 O ATOM 0 H GLY A 42 -6.568 1.706 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.330 2.216 4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.787 3.802 4.252 1.00 0.00 H new ATOM 665 N ASP A 43 -9.662 1.086 3.960 1.00 0.00 N ATOM 666 CA ASP A 43 -11.045 0.619 4.120 1.00 0.00 C ATOM 667 C ASP A 43 -11.163 -0.348 5.286 1.00 0.00 C ATOM 668 O ASP A 43 -12.265 -0.636 5.763 1.00 0.00 O ATOM 669 CB ASP A 43 -11.695 0.039 2.818 1.00 0.00 C ATOM 670 CG ASP A 43 -10.963 -1.125 2.182 1.00 0.00 C ATOM 671 OD1 ASP A 43 -10.337 -1.910 2.858 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.951 -1.260 0.949 1.00 0.00 O ATOM 0 H ASP A 43 -8.994 0.363 3.694 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.628 1.512 4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.711 -0.278 3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.772 0.841 2.084 1.00 0.00 H new ATOM 677 N GLY A 44 -10.026 -0.815 5.769 1.00 0.00 N ATOM 678 CA GLY A 44 -9.984 -1.729 6.883 1.00 0.00 C ATOM 679 C GLY A 44 -9.741 -3.169 6.461 1.00 0.00 C ATOM 680 O GLY A 44 -9.443 -4.028 7.305 1.00 0.00 O ATOM 0 H GLY A 44 -9.109 -0.568 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.196 -1.420 7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.925 -1.670 7.430 1.00 0.00 H new ATOM 684 N ALA A 45 -9.820 -3.433 5.174 1.00 0.00 N ATOM 685 CA ALA A 45 -9.667 -4.777 4.647 1.00 0.00 C ATOM 686 C ALA A 45 -8.583 -4.815 3.584 1.00 0.00 C ATOM 687 O ALA A 45 -8.286 -3.809 2.957 1.00 0.00 O ATOM 688 CB ALA A 45 -10.986 -5.248 4.062 1.00 0.00 C ATOM 0 H ALA A 45 -9.992 -2.723 4.462 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.374 -5.441 5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.869 -6.257 3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.749 -5.249 4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.288 -4.576 3.258 1.00 0.00 H new ATOM 694 N VAL A 46 -8.002 -5.961 3.370 1.00 0.00 N ATOM 695 CA VAL A 46 -6.982 -6.120 2.395 1.00 0.00 C ATOM 696 C VAL A 46 -7.611 -6.693 1.133 1.00 0.00 C ATOM 697 O VAL A 46 -7.992 -7.876 1.080 1.00 0.00 O ATOM 698 CB VAL A 46 -5.874 -7.041 2.901 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.821 -7.165 1.861 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.276 -6.519 4.200 1.00 0.00 C ATOM 0 H VAL A 46 -8.232 -6.815 3.878 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.529 -5.151 2.184 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.302 -8.023 3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.030 -7.822 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.254 -7.583 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.405 -6.181 1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.490 -7.195 4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.855 -5.527 4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.054 -6.460 4.961 1.00 0.00 H new ATOM 710 N ASN A 47 -7.758 -5.848 0.167 1.00 0.00 N ATOM 711 CA ASN A 47 -8.447 -6.161 -1.058 1.00 0.00 C ATOM 712 C ASN A 47 -7.701 -5.651 -2.281 1.00 0.00 C ATOM 713 O ASN A 47 -6.657 -5.012 -2.151 1.00 0.00 O ATOM 714 CB ASN A 47 -9.909 -5.653 -0.987 1.00 0.00 C ATOM 715 CG ASN A 47 -10.080 -4.246 -0.381 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.258 -3.335 -0.554 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.106 -4.087 0.392 1.00 0.00 N ATOM 0 H ASN A 47 -7.396 -4.895 0.201 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.478 -7.245 -1.172 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.327 -5.652 -1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.495 -6.359 -0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.250 -3.199 0.872 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.771 -4.850 0.521 1.00 0.00 H new ATOM 724 N GLY A 48 -8.250 -5.914 -3.471 1.00 0.00 N ATOM 725 CA GLY A 48 -7.613 -5.511 -4.725 1.00 0.00 C ATOM 726 C GLY A 48 -7.585 -4.015 -4.913 1.00 0.00 C ATOM 727 O GLY A 48 -6.812 -3.498 -5.711 1.00 0.00 O ATOM 0 H GLY A 48 -9.136 -6.405 -3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.593 -5.894 -4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.144 -5.967 -5.560 1.00 0.00 H new ATOM 731 N ARG A 49 -8.431 -3.324 -4.156 1.00 0.00 N ATOM 732 CA ARG A 49 -8.469 -1.871 -4.114 1.00 0.00 C ATOM 733 C ARG A 49 -7.124 -1.355 -3.659 1.00 0.00 C ATOM 734 O ARG A 49 -6.595 -0.407 -4.211 1.00 0.00 O ATOM 735 CB ARG A 49 -9.520 -1.422 -3.108 1.00 0.00 C ATOM 736 CG ARG A 49 -10.959 -1.804 -3.441 1.00 0.00 C ATOM 737 CD ARG A 49 -11.608 -0.820 -4.412 1.00 0.00 C ATOM 738 NE ARG A 49 -10.907 -0.722 -5.699 1.00 0.00 N ATOM 739 CZ ARG A 49 -10.750 0.418 -6.403 1.00 0.00 C ATOM 740 NH1 ARG A 49 -11.269 1.556 -5.973 1.00 0.00 N ATOM 741 NH2 ARG A 49 -10.086 0.412 -7.529 1.00 0.00 N ATOM 0 H ARG A 49 -9.119 -3.767 -3.546 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.709 -1.486 -5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.268 -1.842 -2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.464 -0.338 -3.011 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.976 -2.804 -3.874 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.544 -1.844 -2.522 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.639 -1.124 -4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.642 0.166 -3.949 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.510 -1.577 -6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.795 1.579 -5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.143 2.411 -6.515 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.684 -0.457 -7.879 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.970 1.277 -8.057 1.00 0.00 H new ATOM 755 N ASP A 50 -6.561 -2.045 -2.671 1.00 0.00 N ATOM 756 CA ASP A 50 -5.277 -1.695 -2.097 1.00 0.00 C ATOM 757 C ASP A 50 -4.192 -1.999 -3.071 1.00 0.00 C ATOM 758 O ASP A 50 -3.259 -1.249 -3.199 1.00 0.00 O ATOM 759 CB ASP A 50 -5.007 -2.472 -0.836 1.00 0.00 C ATOM 760 CG ASP A 50 -6.062 -2.321 0.185 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.752 -3.292 0.527 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.310 -1.218 0.649 1.00 0.00 O ATOM 0 H ASP A 50 -6.991 -2.867 -2.247 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.301 -0.631 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.901 -3.528 -1.085 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.056 -2.147 -0.415 1.00 0.00 H new ATOM 767 N LEU A 51 -4.341 -3.116 -3.768 1.00 0.00 N ATOM 768 CA LEU A 51 -3.406 -3.524 -4.815 1.00 0.00 C ATOM 769 C LEU A 51 -3.342 -2.457 -5.901 1.00 0.00 C ATOM 770 O LEU A 51 -2.271 -2.091 -6.347 1.00 0.00 O ATOM 771 CB LEU A 51 -3.812 -4.896 -5.403 1.00 0.00 C ATOM 772 CG LEU A 51 -3.042 -5.409 -6.654 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.536 -5.510 -6.415 1.00 0.00 C ATOM 774 CD2 LEU A 51 -3.579 -6.766 -7.047 1.00 0.00 C ATOM 0 H LEU A 51 -5.113 -3.768 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.412 -3.631 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.705 -5.642 -4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.871 -4.851 -5.658 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.197 -4.685 -7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.048 -5.873 -7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.141 -4.527 -6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.343 -6.203 -5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.043 -7.130 -7.923 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.442 -7.465 -6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.641 -6.684 -7.280 1.00 0.00 H new ATOM 786 N MET A 52 -4.497 -1.934 -6.278 1.00 0.00 N ATOM 787 CA MET A 52 -4.585 -0.867 -7.272 1.00 0.00 C ATOM 788 C MET A 52 -3.939 0.419 -6.764 1.00 0.00 C ATOM 789 O MET A 52 -3.287 1.144 -7.530 1.00 0.00 O ATOM 790 CB MET A 52 -6.033 -0.624 -7.704 1.00 0.00 C ATOM 791 CG MET A 52 -6.640 -1.789 -8.466 1.00 0.00 C ATOM 792 SD MET A 52 -8.296 -1.438 -9.078 1.00 0.00 S ATOM 793 CE MET A 52 -8.692 -2.989 -9.873 1.00 0.00 C ATOM 0 H MET A 52 -5.399 -2.233 -5.908 1.00 0.00 H new ATOM 0 HA MET A 52 -4.029 -1.193 -8.151 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.639 -0.423 -6.820 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.073 0.269 -8.328 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.994 -2.043 -9.306 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.676 -2.663 -7.816 1.00 0.00 H new ATOM 0 HE1 MET A 52 -9.692 -2.932 -10.304 1.00 0.00 H new ATOM 0 HE2 MET A 52 -7.967 -3.189 -10.662 1.00 0.00 H new ATOM 0 HE3 MET A 52 -8.659 -3.793 -9.138 1.00 0.00 H new ATOM 803 N GLU A 53 -4.093 0.677 -5.473 1.00 0.00 N ATOM 804 CA GLU A 53 -3.460 1.811 -4.813 1.00 0.00 C ATOM 805 C GLU A 53 -1.958 1.618 -4.730 1.00 0.00 C ATOM 806 O GLU A 53 -1.201 2.567 -4.816 1.00 0.00 O ATOM 807 CB GLU A 53 -4.005 1.998 -3.410 1.00 0.00 C ATOM 808 CG GLU A 53 -5.446 2.453 -3.348 1.00 0.00 C ATOM 809 CD GLU A 53 -5.663 3.801 -3.987 1.00 0.00 C ATOM 810 OE1 GLU A 53 -5.453 4.848 -3.315 1.00 0.00 O ATOM 811 OE2 GLU A 53 -6.085 3.855 -5.152 1.00 0.00 O ATOM 0 H GLU A 53 -4.663 0.104 -4.851 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.682 2.696 -5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.912 1.056 -2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.385 2.727 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.076 1.715 -3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.764 2.495 -2.306 1.00 0.00 H new ATOM 818 N LEU A 54 -1.543 0.392 -4.537 1.00 0.00 N ATOM 819 CA LEU A 54 -0.149 0.046 -4.490 1.00 0.00 C ATOM 820 C LEU A 54 0.491 0.265 -5.840 1.00 0.00 C ATOM 821 O LEU A 54 1.548 0.865 -5.931 1.00 0.00 O ATOM 822 CB LEU A 54 0.024 -1.392 -4.060 1.00 0.00 C ATOM 823 CG LEU A 54 1.447 -1.838 -3.772 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.098 -0.919 -2.754 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.432 -3.246 -3.260 1.00 0.00 C ATOM 0 H LEU A 54 -2.171 -0.401 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 54 0.342 0.690 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.575 -1.556 -3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.386 -2.035 -4.839 1.00 0.00 H new ATOM 0 HG LEU A 54 2.027 -1.792 -4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.117 -1.254 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.119 0.099 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.526 -0.941 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.452 -3.569 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.843 -3.294 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.990 -3.901 -4.010 1.00 0.00 H new ATOM 837 N ILE A 55 -0.175 -0.211 -6.882 1.00 0.00 N ATOM 838 CA ILE A 55 0.265 0.001 -8.265 1.00 0.00 C ATOM 839 C ILE A 55 0.372 1.505 -8.523 1.00 0.00 C ATOM 840 O ILE A 55 1.334 1.954 -9.083 1.00 0.00 O ATOM 841 CB ILE A 55 -0.708 -0.685 -9.285 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.766 -2.203 -9.008 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.262 -0.429 -10.728 1.00 0.00 C ATOM 844 CD1 ILE A 55 -1.819 -2.962 -9.807 1.00 0.00 C ATOM 0 H ILE A 55 -1.034 -0.754 -6.800 1.00 0.00 H new ATOM 0 HA ILE A 55 1.243 -0.460 -8.407 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.701 -0.255 -9.158 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.212 -2.634 -9.222 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.956 -2.357 -7.946 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.954 -0.916 -11.415 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.253 0.644 -10.921 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.740 -0.832 -10.876 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.783 -4.019 -9.544 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.807 -2.564 -9.577 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.621 -2.846 -10.873 1.00 0.00 H new ATOM 856 N LYS A 56 -0.601 2.253 -8.025 1.00 0.00 N ATOM 857 CA LYS A 56 -0.611 3.726 -8.048 1.00 0.00 C ATOM 858 C LYS A 56 0.672 4.301 -7.413 1.00 0.00 C ATOM 859 O LYS A 56 1.380 5.079 -8.041 1.00 0.00 O ATOM 860 CB LYS A 56 -1.875 4.187 -7.301 1.00 0.00 C ATOM 861 CG LYS A 56 -1.906 5.609 -6.737 1.00 0.00 C ATOM 862 CD LYS A 56 -3.209 5.802 -5.970 1.00 0.00 C ATOM 863 CE LYS A 56 -3.259 7.092 -5.174 1.00 0.00 C ATOM 864 NZ LYS A 56 -4.555 7.223 -4.458 1.00 0.00 N ATOM 0 H LYS A 56 -1.428 1.854 -7.582 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.630 4.094 -9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.720 4.080 -7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.042 3.497 -6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.052 5.773 -6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.831 6.337 -7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.041 5.787 -6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.350 4.960 -5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.439 7.113 -4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.120 7.942 -5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.528 8.060 -3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.325 7.327 -5.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.721 6.373 -3.881 1.00 0.00 H new ATOM 878 N LYS A 57 0.979 3.862 -6.193 1.00 0.00 N ATOM 879 CA LYS A 57 2.160 4.323 -5.452 1.00 0.00 C ATOM 880 C LYS A 57 3.453 3.989 -6.202 1.00 0.00 C ATOM 881 O LYS A 57 4.266 4.863 -6.497 1.00 0.00 O ATOM 882 CB LYS A 57 2.235 3.648 -4.064 1.00 0.00 C ATOM 883 CG LYS A 57 1.050 3.866 -3.123 1.00 0.00 C ATOM 884 CD LYS A 57 0.787 5.335 -2.812 1.00 0.00 C ATOM 885 CE LYS A 57 1.989 5.997 -2.150 1.00 0.00 C ATOM 886 NZ LYS A 57 1.711 7.387 -1.754 1.00 0.00 N ATOM 0 H LYS A 57 0.418 3.176 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 57 2.061 5.403 -5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.355 2.575 -4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.136 4.002 -3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.156 3.431 -3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.233 3.332 -2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.543 5.864 -3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.080 5.418 -2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.280 5.422 -1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.835 5.979 -2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.557 7.797 -1.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.459 7.944 -2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.921 7.404 -1.078 1.00 0.00 H new ATOM 900 N VAL A 58 3.602 2.727 -6.518 1.00 0.00 N ATOM 901 CA VAL A 58 4.797 2.177 -7.127 1.00 0.00 C ATOM 902 C VAL A 58 5.007 2.641 -8.571 1.00 0.00 C ATOM 903 O VAL A 58 6.145 2.751 -9.029 1.00 0.00 O ATOM 904 CB VAL A 58 4.733 0.644 -7.026 1.00 0.00 C ATOM 905 CG1 VAL A 58 5.917 -0.041 -7.701 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.657 0.253 -5.560 1.00 0.00 C ATOM 0 H VAL A 58 2.876 2.029 -6.355 1.00 0.00 H new ATOM 0 HA VAL A 58 5.664 2.551 -6.583 1.00 0.00 H new ATOM 0 HB VAL A 58 3.842 0.307 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.819 -1.122 -7.598 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.936 0.223 -8.758 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.844 0.286 -7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.611 -0.833 -5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.541 0.621 -5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.764 0.690 -5.113 1.00 0.00 H new