USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 518 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 11 THR OG1 : rot 168:sc= 0.231 USER MOD Set 1.2: A 51 LYS NZ :NH3+ -145:sc= 0.24 (180deg=0) USER MOD Set 2.1: A 15 THR OG1 : rot -93:sc= 1.06 USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= 0.914 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.572 K(o=-0.57,f=-1.6) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 19 THR OG1 : rot 7:sc= 1.2 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0364 K(o=-0.036,f=-3.4) USER MOD Single : A 29 HIS : no HD1:sc= 0.296 K(o=0.3,f=-1) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 36 SER OG : rot -78:sc= 1.01 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 174:sc= -0.163 (180deg=-0.274) USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= 0.529 (180deg=0.407) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 43 TYR OH : rot -133:sc= 1.22 USER MOD Single : A 53 THR OG1 : rot 4:sc= 0.254 USER MOD Single : A 57 THR OG1 : rot 33:sc= 0.00429 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N ASN A 5 11.183 6.318 4.637 1.00 0.00 N ATOM 63 CA ASN A 5 10.232 5.412 3.938 1.00 0.00 C ATOM 64 C ASN A 5 9.828 5.915 2.505 1.00 0.00 C ATOM 65 O ASN A 5 9.358 7.046 2.322 1.00 0.00 O ATOM 66 CB ASN A 5 8.983 5.235 4.841 1.00 0.00 C ATOM 67 CG ASN A 5 9.165 4.456 6.145 1.00 0.00 C ATOM 68 OD1 ASN A 5 10.071 3.654 6.329 1.00 0.00 O ATOM 69 ND2 ASN A 5 8.280 4.639 7.088 1.00 0.00 N ATOM 0 HA ASN A 5 10.728 4.456 3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 5 8.604 6.226 5.090 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.211 4.736 4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 5 8.350 4.117 7.962 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.519 5.304 6.951 1.00 0.00 H new ATOM 76 N ILE A 6 9.986 5.050 1.492 1.00 0.00 N ATOM 77 CA ILE A 6 9.697 5.359 0.065 1.00 0.00 C ATOM 78 C ILE A 6 8.243 4.933 -0.278 1.00 0.00 C ATOM 79 O ILE A 6 7.767 3.865 0.116 1.00 0.00 O ATOM 80 CB ILE A 6 10.656 4.605 -0.940 1.00 0.00 C ATOM 81 CG1 ILE A 6 12.053 4.251 -0.385 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.764 5.366 -2.290 1.00 0.00 C ATOM 83 CD1 ILE A 6 12.999 3.443 -1.295 1.00 0.00 C ATOM 0 H ILE A 6 10.323 4.098 1.633 1.00 0.00 H new ATOM 0 HA ILE A 6 9.848 6.432 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 6 10.176 3.641 -1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.555 5.182 -0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.915 3.690 0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.430 4.824 -2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.776 5.444 -2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.162 6.365 -2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 6 13.941 3.268 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 6 12.538 2.487 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.188 4.002 -2.211 1.00 0.00 H new ATOM 95 N GLU A 7 7.568 5.770 -1.061 1.00 0.00 N ATOM 96 CA GLU A 7 6.215 5.458 -1.619 1.00 0.00 C ATOM 97 C GLU A 7 6.371 4.935 -3.049 1.00 0.00 C ATOM 98 O GLU A 7 6.949 5.534 -3.961 1.00 0.00 O ATOM 99 CB GLU A 7 5.134 6.517 -1.409 1.00 0.00 C ATOM 100 CG GLU A 7 5.635 7.920 -1.723 1.00 0.00 C ATOM 101 CD GLU A 7 4.631 9.039 -1.513 1.00 0.00 C ATOM 102 OE1 GLU A 7 3.934 9.523 -2.396 1.00 0.00 O ATOM 103 OE2 GLU A 7 4.591 9.427 -0.212 1.00 0.00 O ATOM 0 H GLU A 7 7.924 6.685 -1.338 1.00 0.00 H new ATOM 0 HA GLU A 7 5.789 4.658 -1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.277 6.289 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.787 6.480 -0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.510 8.121 -1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.966 7.944 -2.761 1.00 0.00 H new ATOM 111 N MET A 8 5.940 3.677 -3.109 1.00 0.00 N ATOM 112 CA MET A 8 6.541 2.716 -4.040 1.00 0.00 C ATOM 113 C MET A 8 5.676 1.436 -4.119 1.00 0.00 C ATOM 114 O MET A 8 5.997 0.413 -3.520 1.00 0.00 O ATOM 115 CB MET A 8 7.978 2.499 -3.416 1.00 0.00 C ATOM 116 CG MET A 8 8.811 1.424 -4.074 1.00 0.00 C ATOM 117 SD MET A 8 10.561 1.564 -3.680 1.00 0.00 S ATOM 118 CE MET A 8 11.149 0.129 -4.597 1.00 0.00 C ATOM 0 H MET A 8 5.187 3.300 -2.534 1.00 0.00 H new ATOM 0 HA MET A 8 6.605 3.044 -5.077 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.524 3.441 -3.467 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.864 2.253 -2.360 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.449 0.445 -3.759 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.680 1.479 -5.155 1.00 0.00 H new ATOM 0 HE1 MET A 8 12.229 0.039 -4.479 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.666 -0.770 -4.215 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.908 0.249 -5.653 1.00 0.00 H new ATOM 128 N GLN A 9 4.544 1.480 -4.828 1.00 0.00 N ATOM 129 CA GLN A 9 3.699 0.281 -5.065 1.00 0.00 C ATOM 130 C GLN A 9 3.063 0.109 -6.477 1.00 0.00 C ATOM 131 O GLN A 9 3.521 0.693 -7.462 1.00 0.00 O ATOM 132 CB GLN A 9 2.933 -0.187 -3.807 1.00 0.00 C ATOM 133 CG GLN A 9 3.123 -1.619 -3.217 1.00 0.00 C ATOM 134 CD GLN A 9 3.902 -1.808 -1.906 1.00 0.00 C ATOM 135 OE1 GLN A 9 3.333 -2.070 -0.855 1.00 0.00 O ATOM 136 NE2 GLN A 9 5.195 -1.697 -1.886 1.00 0.00 N ATOM 0 H GLN A 9 4.181 2.333 -5.254 1.00 0.00 H new ATOM 0 HA GLN A 9 4.400 -0.542 -5.206 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.174 0.517 -3.011 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.871 -0.073 -4.023 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.130 -2.044 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.618 -2.221 -3.979 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.702 -1.479 -2.744 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.705 -1.827 -1.012 1.00 0.00 H new ATOM 145 N GLY A 10 2.104 -0.818 -6.574 1.00 0.00 N ATOM 146 CA GLY A 10 1.612 -1.329 -7.872 1.00 0.00 C ATOM 147 C GLY A 10 0.108 -1.536 -8.113 1.00 0.00 C ATOM 148 O GLY A 10 -0.647 -0.575 -8.263 1.00 0.00 O ATOM 0 H GLY A 10 1.645 -1.237 -5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.970 -0.646 -8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.100 -2.288 -8.045 1.00 0.00 H new ATOM 152 N THR A 11 -0.317 -2.801 -8.246 1.00 0.00 N ATOM 153 CA THR A 11 -1.743 -3.144 -8.537 1.00 0.00 C ATOM 154 C THR A 11 -2.286 -3.981 -7.357 1.00 0.00 C ATOM 155 O THR A 11 -1.602 -4.881 -6.847 1.00 0.00 O ATOM 156 CB THR A 11 -1.815 -3.879 -9.911 1.00 0.00 C ATOM 157 OG1 THR A 11 -1.301 -3.035 -10.936 1.00 0.00 O ATOM 158 CG2 THR A 11 -3.231 -4.259 -10.370 1.00 0.00 C ATOM 0 H THR A 11 0.295 -3.612 -8.159 1.00 0.00 H new ATOM 0 HA THR A 11 -2.372 -2.258 -8.625 1.00 0.00 H new ATOM 0 HB THR A 11 -1.240 -4.792 -9.757 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.167 -3.558 -11.754 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.178 -4.765 -11.334 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.685 -4.925 -9.636 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.836 -3.358 -10.466 1.00 0.00 H new ATOM 166 N VAL A 12 -3.524 -3.697 -6.915 1.00 0.00 N ATOM 167 CA VAL A 12 -4.152 -4.466 -5.813 1.00 0.00 C ATOM 168 C VAL A 12 -4.357 -5.981 -6.310 1.00 0.00 C ATOM 169 O VAL A 12 -5.244 -6.219 -7.135 1.00 0.00 O ATOM 170 CB VAL A 12 -5.612 -3.976 -5.470 1.00 0.00 C ATOM 171 CG1 VAL A 12 -6.196 -4.811 -4.315 1.00 0.00 C ATOM 172 CG2 VAL A 12 -5.905 -2.514 -5.122 1.00 0.00 C ATOM 0 H VAL A 12 -4.107 -2.951 -7.295 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.500 -4.348 -4.948 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.070 -4.108 -6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.204 -4.463 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.232 -5.861 -4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.567 -4.701 -3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.970 -2.394 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.334 -2.229 -4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.620 -1.877 -5.959 1.00 0.00 H new ATOM 182 N LEU A 13 -3.599 -7.000 -5.893 1.00 0.00 N ATOM 183 CA LEU A 13 -3.969 -8.422 -6.215 1.00 0.00 C ATOM 184 C LEU A 13 -5.129 -8.972 -5.325 1.00 0.00 C ATOM 185 O LEU A 13 -6.052 -9.604 -5.843 1.00 0.00 O ATOM 186 CB LEU A 13 -2.693 -9.304 -6.293 1.00 0.00 C ATOM 187 CG LEU A 13 -2.070 -9.322 -7.700 1.00 0.00 C ATOM 188 CD1 LEU A 13 -1.515 -7.973 -8.180 1.00 0.00 C ATOM 189 CD2 LEU A 13 -1.001 -10.418 -7.816 1.00 0.00 C ATOM 0 H LEU A 13 -2.745 -6.895 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.410 -8.456 -7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.957 -8.935 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.942 -10.323 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.900 -9.546 -8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.097 -8.087 -9.180 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.318 -7.237 -8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.735 -7.637 -7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.577 -10.408 -8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.211 -10.235 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.454 -11.390 -7.623 1.00 0.00 H new ATOM 201 N GLU A 14 -5.088 -8.737 -4.010 1.00 0.00 N ATOM 202 CA GLU A 14 -6.256 -8.979 -3.113 1.00 0.00 C ATOM 203 C GLU A 14 -6.660 -7.675 -2.355 1.00 0.00 C ATOM 204 O GLU A 14 -5.834 -6.855 -1.976 1.00 0.00 O ATOM 205 CB GLU A 14 -5.927 -10.133 -2.149 1.00 0.00 C ATOM 206 CG GLU A 14 -6.925 -10.491 -1.025 1.00 0.00 C ATOM 207 CD GLU A 14 -8.132 -11.317 -1.442 1.00 0.00 C ATOM 208 OE1 GLU A 14 -8.215 -12.531 -1.295 1.00 0.00 O ATOM 209 OE2 GLU A 14 -9.110 -10.549 -1.995 1.00 0.00 O ATOM 0 H GLU A 14 -4.263 -8.379 -3.528 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.120 -9.269 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.777 -11.029 -2.751 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.972 -9.903 -1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.387 -11.036 -0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.282 -9.565 -0.575 1.00 0.00 H new ATOM 217 N THR A 15 -7.949 -7.554 -2.070 1.00 0.00 N ATOM 218 CA THR A 15 -8.502 -6.473 -1.162 1.00 0.00 C ATOM 219 C THR A 15 -8.765 -7.266 0.146 1.00 0.00 C ATOM 220 O THR A 15 -9.738 -8.019 0.269 1.00 0.00 O ATOM 221 CB THR A 15 -9.790 -5.789 -1.684 1.00 0.00 C ATOM 222 OG1 THR A 15 -10.745 -6.727 -2.169 1.00 0.00 O ATOM 223 CG2 THR A 15 -9.456 -4.801 -2.792 1.00 0.00 C ATOM 0 H THR A 15 -8.663 -8.181 -2.442 1.00 0.00 H new ATOM 0 HA THR A 15 -7.817 -5.631 -1.062 1.00 0.00 H new ATOM 0 HB THR A 15 -10.231 -5.266 -0.835 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.624 -6.848 -3.134 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.372 -4.329 -3.147 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.780 -4.037 -2.407 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.976 -5.328 -3.617 1.00 0.00 H new ATOM 231 N LEU A 16 -7.818 -7.160 1.074 1.00 0.00 N ATOM 232 CA LEU A 16 -7.721 -8.105 2.221 1.00 0.00 C ATOM 233 C LEU A 16 -8.759 -7.766 3.378 1.00 0.00 C ATOM 234 O LEU A 16 -9.134 -6.598 3.523 1.00 0.00 O ATOM 235 CB LEU A 16 -6.201 -8.001 2.556 1.00 0.00 C ATOM 236 CG LEU A 16 -5.302 -9.162 2.061 1.00 0.00 C ATOM 237 CD1 LEU A 16 -3.845 -8.839 2.381 1.00 0.00 C ATOM 238 CD2 LEU A 16 -5.616 -10.592 2.505 1.00 0.00 C ATOM 0 H LEU A 16 -7.100 -6.436 1.069 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.011 -9.138 2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.821 -7.071 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.095 -7.925 3.638 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.522 -9.196 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.207 -9.653 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.558 -7.915 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.727 -8.719 3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.889 -11.277 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.565 -10.655 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.618 -10.865 2.172 1.00 0.00 H new ATOM 250 N PRO A 17 -9.238 -8.759 4.196 1.00 0.00 N ATOM 251 CA PRO A 17 -10.347 -8.640 5.187 1.00 0.00 C ATOM 252 C PRO A 17 -11.284 -7.388 5.319 1.00 0.00 C ATOM 253 O PRO A 17 -12.408 -7.431 4.814 1.00 0.00 O ATOM 254 CB PRO A 17 -9.676 -9.215 6.443 1.00 0.00 C ATOM 255 CG PRO A 17 -8.273 -9.650 6.171 1.00 0.00 C ATOM 256 CD PRO A 17 -8.382 -9.845 4.696 1.00 0.00 C ATOM 0 HA PRO A 17 -11.233 -9.162 4.826 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -9.677 -8.463 7.232 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.255 -10.063 6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.536 -8.895 6.444 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.004 -10.564 6.700 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.399 -9.812 4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.814 -10.818 4.464 1.00 0.00 H new ATOM 264 N ASN A 18 -10.874 -6.299 5.990 1.00 0.00 N ATOM 265 CA ASN A 18 -11.671 -5.042 6.057 1.00 0.00 C ATOM 266 C ASN A 18 -11.569 -4.246 4.716 1.00 0.00 C ATOM 267 O ASN A 18 -12.511 -4.208 3.922 1.00 0.00 O ATOM 268 CB ASN A 18 -11.256 -4.298 7.342 1.00 0.00 C ATOM 269 CG ASN A 18 -11.741 -4.831 8.680 1.00 0.00 C ATOM 270 OD1 ASN A 18 -12.538 -5.748 8.818 1.00 0.00 O ATOM 271 ND2 ASN A 18 -11.264 -4.233 9.733 1.00 0.00 N ATOM 0 H ASN A 18 -9.992 -6.255 6.500 1.00 0.00 H new ATOM 0 HA ASN A 18 -12.742 -5.225 6.143 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.167 -4.271 7.372 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.598 -3.267 7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.555 -4.530 10.664 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.599 -3.467 9.627 1.00 0.00 H new ATOM 278 N THR A 19 -10.430 -3.594 4.481 1.00 0.00 N ATOM 279 CA THR A 19 -10.107 -2.883 3.214 1.00 0.00 C ATOM 280 C THR A 19 -8.551 -2.783 3.185 1.00 0.00 C ATOM 281 O THR A 19 -7.964 -1.750 3.524 1.00 0.00 O ATOM 282 CB THR A 19 -10.916 -1.567 3.108 1.00 0.00 C ATOM 283 OG1 THR A 19 -12.273 -1.850 2.778 1.00 0.00 O ATOM 284 CG2 THR A 19 -10.452 -0.549 2.048 1.00 0.00 C ATOM 0 H THR A 19 -9.682 -3.536 5.172 1.00 0.00 H new ATOM 0 HA THR A 19 -10.414 -3.402 2.306 1.00 0.00 H new ATOM 0 HB THR A 19 -10.767 -1.119 4.091 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.420 -2.819 2.802 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.100 0.327 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.426 -0.248 2.258 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.501 -1.005 1.059 1.00 0.00 H new ATOM 292 N MET A 20 -7.878 -3.906 2.870 1.00 0.00 N ATOM 293 CA MET A 20 -6.399 -3.963 2.732 1.00 0.00 C ATOM 294 C MET A 20 -5.990 -4.370 1.292 1.00 0.00 C ATOM 295 O MET A 20 -6.834 -4.360 0.415 1.00 0.00 O ATOM 296 CB MET A 20 -5.820 -4.762 3.930 1.00 0.00 C ATOM 297 CG MET A 20 -6.070 -4.026 5.247 1.00 0.00 C ATOM 298 SD MET A 20 -5.271 -4.838 6.642 1.00 0.00 S ATOM 299 CE MET A 20 -6.018 -3.902 7.985 1.00 0.00 C ATOM 0 H MET A 20 -8.338 -4.801 2.703 1.00 0.00 H new ATOM 0 HA MET A 20 -5.925 -2.985 2.816 1.00 0.00 H new ATOM 0 HB2 MET A 20 -6.278 -5.751 3.968 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.749 -4.911 3.790 1.00 0.00 H new ATOM 0 HG2 MET A 20 -5.703 -3.003 5.165 1.00 0.00 H new ATOM 0 HG3 MET A 20 -7.143 -3.966 5.430 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.638 -4.268 8.939 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.768 -2.847 7.876 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.101 -4.023 7.955 1.00 0.00 H new ATOM 309 N PHE A 21 -4.719 -4.599 0.961 1.00 0.00 N ATOM 310 CA PHE A 21 -4.248 -4.681 -0.461 1.00 0.00 C ATOM 311 C PHE A 21 -3.069 -5.696 -0.441 1.00 0.00 C ATOM 312 O PHE A 21 -2.008 -5.397 0.119 1.00 0.00 O ATOM 313 CB PHE A 21 -3.783 -3.297 -0.992 1.00 0.00 C ATOM 314 CG PHE A 21 -4.856 -2.216 -0.904 1.00 0.00 C ATOM 315 CD1 PHE A 21 -5.971 -2.377 -1.706 1.00 0.00 C ATOM 316 CD2 PHE A 21 -4.976 -1.539 0.296 1.00 0.00 C ATOM 317 CE1 PHE A 21 -7.208 -1.895 -1.300 1.00 0.00 C ATOM 318 CE2 PHE A 21 -6.230 -1.076 0.690 1.00 0.00 C ATOM 319 CZ PHE A 21 -7.308 -1.130 -0.172 1.00 0.00 C ATOM 0 H PHE A 21 -3.978 -4.735 1.648 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.050 -4.997 -1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.908 -2.976 -0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.470 -3.402 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.879 -2.882 -2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.110 -1.371 0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.092 -2.125 -1.876 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.361 -0.670 1.682 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.212 -0.579 0.041 1.00 0.00 H new ATOM 329 N ARG A 22 -3.224 -6.906 -0.987 1.00 0.00 N ATOM 330 CA ARG A 22 -2.060 -7.831 -1.179 1.00 0.00 C ATOM 331 C ARG A 22 -1.479 -7.411 -2.556 1.00 0.00 C ATOM 332 O ARG A 22 -1.974 -7.821 -3.600 1.00 0.00 O ATOM 333 CB ARG A 22 -2.442 -9.313 -1.075 1.00 0.00 C ATOM 334 CG ARG A 22 -1.305 -10.253 -0.601 1.00 0.00 C ATOM 335 CD ARG A 22 -1.535 -11.734 -0.948 1.00 0.00 C ATOM 336 NE ARG A 22 -2.703 -12.307 -0.218 1.00 0.00 N ATOM 337 CZ ARG A 22 -3.728 -12.955 -0.762 1.00 0.00 C ATOM 338 NH1 ARG A 22 -3.875 -13.172 -2.035 1.00 0.00 N ATOM 339 NH2 ARG A 22 -4.636 -13.399 0.032 1.00 0.00 N ATOM 0 H ARG A 22 -4.119 -7.279 -1.304 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.315 -7.741 -0.388 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.282 -9.408 -0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.790 -9.652 -2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.367 -9.927 -1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.193 -10.156 0.479 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.695 -11.834 -2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.640 -12.306 -0.704 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.716 -12.190 0.795 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.173 -12.835 -2.694 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.692 -13.679 -2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.553 -13.248 1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.440 -13.902 -0.343 1.00 0.00 H new ATOM 352 N VAL A 23 -0.507 -6.509 -2.538 1.00 0.00 N ATOM 353 CA VAL A 23 -0.102 -5.739 -3.743 1.00 0.00 C ATOM 354 C VAL A 23 1.149 -6.300 -4.440 1.00 0.00 C ATOM 355 O VAL A 23 2.176 -6.558 -3.809 1.00 0.00 O ATOM 356 CB VAL A 23 0.165 -4.233 -3.385 1.00 0.00 C ATOM 357 CG1 VAL A 23 -0.022 -3.276 -4.567 1.00 0.00 C ATOM 358 CG2 VAL A 23 -0.783 -3.632 -2.343 1.00 0.00 C ATOM 0 H VAL A 23 0.030 -6.279 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.941 -5.829 -4.434 1.00 0.00 H new ATOM 0 HB VAL A 23 1.192 -4.299 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.179 -2.255 -4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.668 -3.546 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.046 -3.345 -4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.516 -2.590 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.808 -3.686 -2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.701 -4.191 -1.411 1.00 0.00 H new ATOM 368 N GLU A 24 1.071 -6.377 -5.767 1.00 0.00 N ATOM 369 CA GLU A 24 2.265 -6.705 -6.590 1.00 0.00 C ATOM 370 C GLU A 24 2.922 -5.349 -6.982 1.00 0.00 C ATOM 371 O GLU A 24 2.323 -4.561 -7.717 1.00 0.00 O ATOM 372 CB GLU A 24 1.870 -7.546 -7.823 1.00 0.00 C ATOM 373 CG GLU A 24 3.083 -8.105 -8.611 1.00 0.00 C ATOM 374 CD GLU A 24 2.728 -8.992 -9.801 1.00 0.00 C ATOM 375 OE1 GLU A 24 1.917 -9.911 -9.760 1.00 0.00 O ATOM 376 OE2 GLU A 24 3.430 -8.663 -10.918 1.00 0.00 O ATOM 0 H GLU A 24 0.216 -6.222 -6.301 1.00 0.00 H new ATOM 0 HA GLU A 24 2.977 -7.316 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.244 -8.377 -7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.265 -6.933 -8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.682 -7.267 -8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.710 -8.676 -7.926 1.00 0.00 H new ATOM 384 N LEU A 25 4.131 -5.086 -6.482 1.00 0.00 N ATOM 385 CA LEU A 25 4.875 -3.833 -6.673 1.00 0.00 C ATOM 386 C LEU A 25 5.192 -3.405 -8.139 1.00 0.00 C ATOM 387 O LEU A 25 4.935 -4.094 -9.130 1.00 0.00 O ATOM 388 CB LEU A 25 6.229 -4.203 -5.941 1.00 0.00 C ATOM 389 CG LEU A 25 6.547 -3.375 -4.701 1.00 0.00 C ATOM 390 CD1 LEU A 25 7.564 -4.083 -3.792 1.00 0.00 C ATOM 391 CD2 LEU A 25 7.112 -1.991 -5.040 1.00 0.00 C ATOM 0 H LEU A 25 4.640 -5.762 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 25 4.297 -2.983 -6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.193 -5.255 -5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.049 -4.093 -6.651 1.00 0.00 H new ATOM 0 HG LEU A 25 5.593 -3.258 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.766 -3.462 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.158 -5.042 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.491 -4.248 -4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.319 -1.447 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.034 -2.104 -5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.385 -1.436 -5.633 1.00 0.00 H new ATOM 403 N GLU A 26 5.871 -2.258 -8.223 1.00 0.00 N ATOM 404 CA GLU A 26 6.485 -1.795 -9.504 1.00 0.00 C ATOM 405 C GLU A 26 7.705 -2.654 -10.006 1.00 0.00 C ATOM 406 O GLU A 26 7.982 -2.680 -11.206 1.00 0.00 O ATOM 407 CB GLU A 26 6.742 -0.267 -9.410 1.00 0.00 C ATOM 408 CG GLU A 26 7.838 0.212 -8.418 1.00 0.00 C ATOM 409 CD GLU A 26 7.911 1.727 -8.269 1.00 0.00 C ATOM 410 OE1 GLU A 26 7.356 2.351 -7.373 1.00 0.00 O ATOM 411 OE2 GLU A 26 8.667 2.309 -9.237 1.00 0.00 O ATOM 0 H GLU A 26 6.018 -1.627 -7.436 1.00 0.00 H new ATOM 0 HA GLU A 26 5.772 -1.968 -10.310 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.007 0.092 -10.404 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.804 0.216 -9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.649 -0.231 -7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.807 -0.158 -8.754 1.00 0.00 H new ATOM 419 N ASN A 27 8.416 -3.366 -9.110 1.00 0.00 N ATOM 420 CA ASN A 27 9.420 -4.387 -9.480 1.00 0.00 C ATOM 421 C ASN A 27 8.858 -5.861 -9.634 1.00 0.00 C ATOM 422 O ASN A 27 9.650 -6.784 -9.833 1.00 0.00 O ATOM 423 CB ASN A 27 10.510 -4.234 -8.386 1.00 0.00 C ATOM 424 CG ASN A 27 10.239 -4.671 -6.949 1.00 0.00 C ATOM 425 OD1 ASN A 27 9.251 -5.300 -6.598 1.00 0.00 O ATOM 426 ND2 ASN A 27 11.143 -4.353 -6.068 1.00 0.00 N ATOM 0 H ASN A 27 8.310 -3.249 -8.102 1.00 0.00 H new ATOM 0 HA ASN A 27 9.808 -4.222 -10.485 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.387 -4.783 -8.728 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.786 -3.180 -8.354 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.024 -4.628 -5.093 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.970 -3.828 -6.353 1.00 0.00 H new ATOM 433 N GLY A 28 7.528 -6.093 -9.531 1.00 0.00 N ATOM 434 CA GLY A 28 6.914 -7.443 -9.612 1.00 0.00 C ATOM 435 C GLY A 28 6.795 -8.325 -8.337 1.00 0.00 C ATOM 436 O GLY A 28 6.339 -9.463 -8.447 1.00 0.00 O ATOM 0 H GLY A 28 6.847 -5.347 -9.389 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.908 -7.317 -10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.482 -8.013 -10.348 1.00 0.00 H new ATOM 440 N HIS A 29 7.152 -7.821 -7.147 1.00 0.00 N ATOM 441 CA HIS A 29 7.096 -8.595 -5.870 1.00 0.00 C ATOM 442 C HIS A 29 5.770 -8.369 -5.064 1.00 0.00 C ATOM 443 O HIS A 29 5.241 -7.260 -4.965 1.00 0.00 O ATOM 444 CB HIS A 29 8.376 -8.204 -5.090 1.00 0.00 C ATOM 445 CG HIS A 29 8.559 -8.810 -3.703 1.00 0.00 C ATOM 446 ND1 HIS A 29 8.581 -10.170 -3.427 1.00 0.00 N ATOM 447 CD2 HIS A 29 8.608 -8.058 -2.524 1.00 0.00 C ATOM 448 CE1 HIS A 29 8.633 -10.109 -2.056 1.00 0.00 C ATOM 449 NE2 HIS A 29 8.679 -8.893 -1.429 1.00 0.00 N ATOM 0 H HIS A 29 7.490 -6.866 -7.028 1.00 0.00 H new ATOM 0 HA HIS A 29 7.075 -9.668 -6.061 1.00 0.00 H new ATOM 0 HB2 HIS A 29 9.239 -8.481 -5.696 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.392 -7.119 -4.989 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.592 -6.979 -2.478 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.638 -11.019 -1.474 1.00 0.00 H new ATOM 0 HE2 HIS A 29 8.746 -8.669 -0.436 1.00 0.00 H new ATOM 457 N VAL A 30 5.264 -9.436 -4.437 1.00 0.00 N ATOM 458 CA VAL A 30 3.989 -9.400 -3.661 1.00 0.00 C ATOM 459 C VAL A 30 4.220 -9.053 -2.147 1.00 0.00 C ATOM 460 O VAL A 30 5.021 -9.678 -1.444 1.00 0.00 O ATOM 461 CB VAL A 30 3.206 -10.731 -3.948 1.00 0.00 C ATOM 462 CG1 VAL A 30 2.072 -11.056 -2.955 1.00 0.00 C ATOM 463 CG2 VAL A 30 2.553 -10.705 -5.351 1.00 0.00 C ATOM 0 H VAL A 30 5.713 -10.352 -4.444 1.00 0.00 H new ATOM 0 HA VAL A 30 3.354 -8.578 -3.992 1.00 0.00 H new ATOM 0 HB VAL A 30 3.977 -11.496 -3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.595 -11.993 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.484 -11.151 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.334 -10.254 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.018 -11.640 -5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.854 -9.871 -5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.326 -10.586 -6.110 1.00 0.00 H new ATOM 473 N VAL A 31 3.448 -8.070 -1.663 1.00 0.00 N ATOM 474 CA VAL A 31 3.508 -7.572 -0.244 1.00 0.00 C ATOM 475 C VAL A 31 2.092 -7.264 0.364 1.00 0.00 C ATOM 476 O VAL A 31 1.148 -6.886 -0.330 1.00 0.00 O ATOM 477 CB VAL A 31 4.432 -6.311 -0.074 1.00 0.00 C ATOM 478 CG1 VAL A 31 5.934 -6.614 -0.161 1.00 0.00 C ATOM 479 CG2 VAL A 31 4.119 -5.139 -1.020 1.00 0.00 C ATOM 0 H VAL A 31 2.755 -7.583 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 31 3.947 -8.400 0.312 1.00 0.00 H new ATOM 0 HB VAL A 31 4.188 -6.002 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.499 -5.691 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.209 -7.319 0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.162 -7.048 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.810 -4.319 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.228 -5.467 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.097 -4.800 -0.853 1.00 0.00 H new ATOM 489 N THR A 32 1.952 -7.366 1.695 1.00 0.00 N ATOM 490 CA THR A 32 0.673 -7.051 2.413 1.00 0.00 C ATOM 491 C THR A 32 0.606 -5.548 2.836 1.00 0.00 C ATOM 492 O THR A 32 1.506 -5.069 3.537 1.00 0.00 O ATOM 493 CB THR A 32 0.537 -7.986 3.657 1.00 0.00 C ATOM 494 OG1 THR A 32 0.314 -9.325 3.229 1.00 0.00 O ATOM 495 CG2 THR A 32 -0.632 -7.654 4.607 1.00 0.00 C ATOM 0 H THR A 32 2.706 -7.665 2.314 1.00 0.00 H new ATOM 0 HA THR A 32 -0.161 -7.228 1.734 1.00 0.00 H new ATOM 0 HB THR A 32 1.471 -7.843 4.200 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.231 -9.909 4.012 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.638 -8.361 5.437 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.511 -6.642 4.993 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.574 -7.725 4.063 1.00 0.00 H new ATOM 503 N ALA A 33 -0.486 -4.825 2.506 1.00 0.00 N ATOM 504 CA ALA A 33 -0.627 -3.413 2.929 1.00 0.00 C ATOM 505 C ALA A 33 -2.057 -2.906 3.268 1.00 0.00 C ATOM 506 O ALA A 33 -3.049 -3.350 2.700 1.00 0.00 O ATOM 507 CB ALA A 33 -0.072 -2.642 1.736 1.00 0.00 C ATOM 0 H ALA A 33 -1.268 -5.185 1.960 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.112 -3.277 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.126 -1.572 1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.967 -2.928 1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.659 -2.874 0.848 1.00 0.00 H new ATOM 513 N HIS A 34 -2.157 -1.930 4.176 1.00 0.00 N ATOM 514 CA HIS A 34 -3.428 -1.200 4.458 1.00 0.00 C ATOM 515 C HIS A 34 -3.407 0.202 3.804 1.00 0.00 C ATOM 516 O HIS A 34 -2.362 0.823 3.625 1.00 0.00 O ATOM 517 CB HIS A 34 -3.741 -0.989 5.976 1.00 0.00 C ATOM 518 CG HIS A 34 -2.594 -0.712 6.954 1.00 0.00 C ATOM 519 ND1 HIS A 34 -2.037 -1.695 7.759 1.00 0.00 N ATOM 520 CD2 HIS A 34 -1.933 0.515 7.139 1.00 0.00 C ATOM 521 CE1 HIS A 34 -1.050 -0.957 8.360 1.00 0.00 C ATOM 522 NE2 HIS A 34 -0.912 0.372 8.064 1.00 0.00 N ATOM 0 H HIS A 34 -1.370 -1.614 4.742 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.203 -1.843 4.040 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.442 -0.158 6.052 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.262 -1.879 6.328 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.185 1.435 6.633 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -0.381 -1.425 9.067 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -0.248 1.059 8.422 1.00 0.00 H new ATOM 530 N ILE A 35 -4.584 0.761 3.526 1.00 0.00 N ATOM 531 CA ILE A 35 -4.687 2.197 3.196 1.00 0.00 C ATOM 532 C ILE A 35 -4.308 3.129 4.442 1.00 0.00 C ATOM 533 O ILE A 35 -4.073 2.680 5.570 1.00 0.00 O ATOM 534 CB ILE A 35 -6.164 2.489 2.753 1.00 0.00 C ATOM 535 CG1 ILE A 35 -7.283 2.114 3.774 1.00 0.00 C ATOM 536 CG2 ILE A 35 -6.614 2.125 1.321 1.00 0.00 C ATOM 537 CD1 ILE A 35 -8.209 3.304 4.023 1.00 0.00 C ATOM 0 H ILE A 35 -5.471 0.258 3.520 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.982 2.424 2.397 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.054 3.573 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.860 1.271 3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.832 1.795 4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.662 2.396 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.005 2.669 0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.494 1.053 1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.982 3.021 4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.631 4.137 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.675 3.605 3.085 1.00 0.00 H new ATOM 549 N SER A 36 -4.273 4.449 4.231 1.00 0.00 N ATOM 550 CA SER A 36 -4.060 5.457 5.282 1.00 0.00 C ATOM 551 C SER A 36 -5.417 6.135 5.641 1.00 0.00 C ATOM 552 O SER A 36 -6.220 6.453 4.754 1.00 0.00 O ATOM 553 CB SER A 36 -3.025 6.445 4.713 1.00 0.00 C ATOM 554 OG SER A 36 -3.394 7.077 3.487 1.00 0.00 O ATOM 0 H SER A 36 -4.394 4.858 3.305 1.00 0.00 H new ATOM 0 HA SER A 36 -3.686 5.030 6.212 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.837 7.218 5.458 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.086 5.914 4.560 1.00 0.00 H new ATOM 0 HG SER A 36 -3.262 6.452 2.744 1.00 0.00 H new ATOM 560 N GLY A 37 -5.663 6.407 6.939 1.00 0.00 N ATOM 561 CA GLY A 37 -6.905 7.132 7.383 1.00 0.00 C ATOM 562 C GLY A 37 -7.270 8.518 6.760 1.00 0.00 C ATOM 563 O GLY A 37 -8.399 8.989 6.879 1.00 0.00 O ATOM 0 H GLY A 37 -5.037 6.146 7.701 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.749 6.466 7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.830 7.272 8.461 1.00 0.00 H new ATOM 567 N LYS A 38 -6.289 9.144 6.108 1.00 0.00 N ATOM 568 CA LYS A 38 -6.393 10.422 5.374 1.00 0.00 C ATOM 569 C LYS A 38 -7.184 10.340 4.022 1.00 0.00 C ATOM 570 O LYS A 38 -8.059 11.171 3.765 1.00 0.00 O ATOM 571 CB LYS A 38 -4.911 10.860 5.140 1.00 0.00 C ATOM 572 CG LYS A 38 -3.898 10.876 6.319 1.00 0.00 C ATOM 573 CD LYS A 38 -2.483 11.246 5.832 1.00 0.00 C ATOM 574 CE LYS A 38 -1.457 11.444 6.960 1.00 0.00 C ATOM 575 NZ LYS A 38 -1.544 12.816 7.500 1.00 0.00 N ATOM 0 H LYS A 38 -5.346 8.758 6.071 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.973 11.140 5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.500 10.206 4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.935 11.867 4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.225 11.592 7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.877 9.897 6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.125 10.462 5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.542 12.163 5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.638 10.721 7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.452 11.258 6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.845 12.935 8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.350 13.501 6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.499 12.980 7.878 1.00 0.00 H new ATOM 588 N MET A 39 -6.855 9.368 3.153 1.00 0.00 N ATOM 589 CA MET A 39 -7.593 9.135 1.875 1.00 0.00 C ATOM 590 C MET A 39 -9.009 8.498 1.960 1.00 0.00 C ATOM 591 O MET A 39 -9.787 8.712 1.028 1.00 0.00 O ATOM 592 CB MET A 39 -6.758 8.369 0.832 1.00 0.00 C ATOM 593 CG MET A 39 -5.854 7.220 1.222 1.00 0.00 C ATOM 594 SD MET A 39 -5.285 6.262 -0.196 1.00 0.00 S ATOM 595 CE MET A 39 -4.530 7.500 -1.274 1.00 0.00 C ATOM 0 H MET A 39 -6.080 8.722 3.304 1.00 0.00 H new ATOM 0 HA MET A 39 -7.765 10.163 1.556 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.457 7.982 0.091 1.00 0.00 H new ATOM 0 HB3 MET A 39 -6.132 9.105 0.327 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.990 7.610 1.760 1.00 0.00 H new ATOM 0 HG3 MET A 39 -6.387 6.562 1.908 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.056 7.004 -2.121 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.298 8.183 -1.637 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.780 8.060 -0.715 1.00 0.00 H new ATOM 605 N ARG A 40 -9.345 7.748 3.019 1.00 0.00 N ATOM 606 CA ARG A 40 -10.722 7.246 3.292 1.00 0.00 C ATOM 607 C ARG A 40 -11.933 8.221 2.974 1.00 0.00 C ATOM 608 O ARG A 40 -13.037 7.780 2.653 1.00 0.00 O ATOM 609 CB ARG A 40 -10.740 6.997 4.827 1.00 0.00 C ATOM 610 CG ARG A 40 -10.041 5.738 5.362 1.00 0.00 C ATOM 611 CD ARG A 40 -10.338 5.487 6.850 1.00 0.00 C ATOM 612 NE ARG A 40 -9.484 4.364 7.312 1.00 0.00 N ATOM 613 CZ ARG A 40 -9.432 3.886 8.545 1.00 0.00 C ATOM 614 NH1 ARG A 40 -10.144 4.334 9.536 1.00 0.00 N ATOM 615 NH2 ARG A 40 -8.619 2.915 8.764 1.00 0.00 N ATOM 0 H ARG A 40 -8.668 7.463 3.726 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.883 6.389 2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.286 7.862 5.311 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.781 6.962 5.147 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.361 4.874 4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.965 5.836 5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.135 6.384 7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.392 5.246 6.992 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.883 3.921 6.617 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.796 5.104 9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.051 3.915 10.461 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.049 2.546 8.003 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.544 2.514 9.699 1.00 0.00 H new ATOM 628 N LYS A 41 -11.727 9.541 3.149 1.00 0.00 N ATOM 629 CA LYS A 41 -12.726 10.599 2.839 1.00 0.00 C ATOM 630 C LYS A 41 -12.707 11.259 1.412 1.00 0.00 C ATOM 631 O LYS A 41 -13.568 12.071 1.069 1.00 0.00 O ATOM 632 CB LYS A 41 -12.563 11.644 3.975 1.00 0.00 C ATOM 633 CG LYS A 41 -12.900 11.214 5.430 1.00 0.00 C ATOM 634 CD LYS A 41 -11.639 10.931 6.275 1.00 0.00 C ATOM 635 CE LYS A 41 -11.970 10.356 7.658 1.00 0.00 C ATOM 636 NZ LYS A 41 -10.715 10.192 8.420 1.00 0.00 N ATOM 0 H LYS A 41 -10.851 9.914 3.515 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.706 10.124 2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.529 11.990 3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.189 12.502 3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.485 11.998 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.524 10.320 5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.997 10.232 5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.073 11.855 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.650 11.021 8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.477 9.397 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.882 9.565 9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.987 9.775 7.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.391 11.120 8.759 1.00 0.00 H new ATOM 649 N ASN A 42 -11.720 10.884 0.606 1.00 0.00 N ATOM 650 CA ASN A 42 -11.646 11.186 -0.850 1.00 0.00 C ATOM 651 C ASN A 42 -12.381 9.996 -1.555 1.00 0.00 C ATOM 652 O ASN A 42 -13.521 10.126 -2.005 1.00 0.00 O ATOM 653 CB ASN A 42 -10.144 11.428 -1.179 1.00 0.00 C ATOM 654 CG ASN A 42 -9.838 11.809 -2.615 1.00 0.00 C ATOM 655 OD1 ASN A 42 -10.605 12.430 -3.337 1.00 0.00 O ATOM 656 ND2 ASN A 42 -8.648 11.522 -3.055 1.00 0.00 N ATOM 0 H ASN A 42 -10.920 10.347 0.940 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.145 12.088 -1.204 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.771 12.217 -0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.587 10.523 -0.936 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.366 11.814 -3.991 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.997 11.005 -2.464 1.00 0.00 H new ATOM 663 N TYR A 43 -11.738 8.823 -1.582 1.00 0.00 N ATOM 664 CA TYR A 43 -12.360 7.548 -1.934 1.00 0.00 C ATOM 665 C TYR A 43 -12.661 6.752 -0.615 1.00 0.00 C ATOM 666 O TYR A 43 -11.793 6.601 0.250 1.00 0.00 O ATOM 667 CB TYR A 43 -11.383 6.842 -2.914 1.00 0.00 C ATOM 668 CG TYR A 43 -10.082 6.155 -2.427 1.00 0.00 C ATOM 669 CD1 TYR A 43 -10.145 4.981 -1.664 1.00 0.00 C ATOM 670 CD2 TYR A 43 -8.834 6.621 -2.849 1.00 0.00 C ATOM 671 CE1 TYR A 43 -8.987 4.301 -1.307 1.00 0.00 C ATOM 672 CE2 TYR A 43 -7.675 5.915 -2.528 1.00 0.00 C ATOM 673 CZ TYR A 43 -7.756 4.753 -1.763 1.00 0.00 C ATOM 674 OH TYR A 43 -6.630 4.019 -1.513 1.00 0.00 O ATOM 0 H TYR A 43 -10.748 8.735 -1.354 1.00 0.00 H new ATOM 0 HA TYR A 43 -13.322 7.648 -2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -11.961 6.082 -3.441 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -11.087 7.587 -3.653 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.105 4.600 -1.350 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -8.767 7.531 -3.426 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.044 3.425 -0.678 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.714 6.269 -2.872 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.923 4.609 -1.178 1.00 0.00 H new ATOM 684 N ILE A 44 -13.855 6.162 -0.496 1.00 0.00 N ATOM 685 CA ILE A 44 -14.167 5.255 0.663 1.00 0.00 C ATOM 686 C ILE A 44 -13.386 3.894 0.534 1.00 0.00 C ATOM 687 O ILE A 44 -12.677 3.491 1.460 1.00 0.00 O ATOM 688 CB ILE A 44 -15.710 5.102 0.871 1.00 0.00 C ATOM 689 CG1 ILE A 44 -16.484 6.454 0.897 1.00 0.00 C ATOM 690 CG2 ILE A 44 -16.041 4.272 2.144 1.00 0.00 C ATOM 691 CD1 ILE A 44 -18.016 6.399 1.064 1.00 0.00 C ATOM 0 H ILE A 44 -14.620 6.279 -1.161 1.00 0.00 H new ATOM 0 HA ILE A 44 -13.805 5.714 1.583 1.00 0.00 H new ATOM 0 HB ILE A 44 -16.057 4.561 -0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -16.079 7.057 1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.266 6.983 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -17.122 4.189 2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -15.608 3.276 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -15.625 4.769 3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -18.419 7.412 1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -18.452 5.836 0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -18.262 5.910 2.007 1.00 0.00 H new ATOM 703 N ARG A 45 -13.515 3.206 -0.611 1.00 0.00 N ATOM 704 CA ARG A 45 -12.764 1.978 -0.941 1.00 0.00 C ATOM 705 C ARG A 45 -12.204 1.982 -2.415 1.00 0.00 C ATOM 706 O ARG A 45 -12.431 2.865 -3.247 1.00 0.00 O ATOM 707 CB ARG A 45 -13.645 0.729 -0.653 1.00 0.00 C ATOM 708 CG ARG A 45 -14.114 0.505 0.806 1.00 0.00 C ATOM 709 CD ARG A 45 -15.088 -0.678 0.978 1.00 0.00 C ATOM 710 NE ARG A 45 -16.453 -0.356 0.471 1.00 0.00 N ATOM 711 CZ ARG A 45 -17.418 0.246 1.156 1.00 0.00 C ATOM 712 NH1 ARG A 45 -17.302 0.653 2.385 1.00 0.00 N ATOM 713 NH2 ARG A 45 -18.538 0.437 0.554 1.00 0.00 N ATOM 0 H ARG A 45 -14.157 3.491 -1.351 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.885 1.940 -0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.531 0.789 -1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.089 -0.154 -0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.240 0.337 1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.596 1.414 1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -14.700 -1.547 0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.147 -0.948 2.032 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.665 -0.623 -0.490 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.424 0.517 2.887 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.089 1.109 2.848 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.657 0.130 -0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.307 0.896 1.042 1.00 0.00 H new ATOM 726 N ILE A 46 -11.442 0.925 -2.688 1.00 0.00 N ATOM 727 CA ILE A 46 -10.814 0.608 -4.009 1.00 0.00 C ATOM 728 C ILE A 46 -10.987 -0.925 -4.295 1.00 0.00 C ATOM 729 O ILE A 46 -11.196 -1.748 -3.397 1.00 0.00 O ATOM 730 CB ILE A 46 -9.371 1.169 -4.195 1.00 0.00 C ATOM 731 CG1 ILE A 46 -8.399 0.962 -3.009 1.00 0.00 C ATOM 732 CG2 ILE A 46 -9.337 2.656 -4.572 1.00 0.00 C ATOM 733 CD1 ILE A 46 -7.172 0.230 -3.500 1.00 0.00 C ATOM 0 H ILE A 46 -11.224 0.225 -1.979 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.345 1.153 -4.790 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.016 0.554 -5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.117 1.924 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.886 0.392 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.302 2.979 -4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.869 2.805 -5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.816 3.241 -3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.481 0.080 -2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.464 -0.737 -3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.684 0.819 -4.277 1.00 0.00 H new ATOM 745 N LEU A 47 -10.947 -1.298 -5.583 1.00 0.00 N ATOM 746 CA LEU A 47 -11.328 -2.669 -6.030 1.00 0.00 C ATOM 747 C LEU A 47 -10.119 -3.641 -6.190 1.00 0.00 C ATOM 748 O LEU A 47 -8.950 -3.241 -6.220 1.00 0.00 O ATOM 749 CB LEU A 47 -12.175 -2.524 -7.340 1.00 0.00 C ATOM 750 CG LEU A 47 -13.694 -2.229 -7.188 1.00 0.00 C ATOM 751 CD1 LEU A 47 -14.007 -0.813 -6.673 1.00 0.00 C ATOM 752 CD2 LEU A 47 -14.402 -2.418 -8.541 1.00 0.00 C ATOM 0 H LEU A 47 -10.657 -0.679 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.925 -3.143 -5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.736 -1.725 -7.937 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.068 -3.445 -7.913 1.00 0.00 H new ATOM 0 HG LEU A 47 -14.058 -2.935 -6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -15.087 -0.685 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.552 -0.674 -5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.604 -0.076 -7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.466 -2.210 -8.427 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.975 -1.734 -9.274 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.268 -3.445 -8.882 1.00 0.00 H new ATOM 764 N THR A 48 -10.429 -4.943 -6.313 1.00 0.00 N ATOM 765 CA THR A 48 -9.414 -6.018 -6.517 1.00 0.00 C ATOM 766 C THR A 48 -8.842 -5.987 -7.975 1.00 0.00 C ATOM 767 O THR A 48 -9.322 -6.635 -8.908 1.00 0.00 O ATOM 768 CB THR A 48 -10.021 -7.383 -6.101 1.00 0.00 C ATOM 769 OG1 THR A 48 -10.777 -7.338 -4.890 1.00 0.00 O ATOM 770 CG2 THR A 48 -8.989 -8.497 -5.925 1.00 0.00 C ATOM 0 H THR A 48 -11.387 -5.291 -6.275 1.00 0.00 H new ATOM 0 HA THR A 48 -8.551 -5.847 -5.874 1.00 0.00 H new ATOM 0 HB THR A 48 -10.674 -7.605 -6.945 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.129 -8.231 -4.691 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.494 -9.418 -5.634 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.460 -8.655 -6.865 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.276 -8.214 -5.150 1.00 0.00 H new ATOM 778 N GLY A 49 -7.806 -5.167 -8.116 1.00 0.00 N ATOM 779 CA GLY A 49 -7.125 -4.871 -9.408 1.00 0.00 C ATOM 780 C GLY A 49 -7.017 -3.390 -9.826 1.00 0.00 C ATOM 781 O GLY A 49 -6.736 -3.086 -10.986 1.00 0.00 O ATOM 0 H GLY A 49 -7.394 -4.669 -7.327 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.117 -5.283 -9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.651 -5.407 -10.198 1.00 0.00 H new ATOM 785 N ASP A 50 -7.176 -2.476 -8.865 1.00 0.00 N ATOM 786 CA ASP A 50 -7.007 -1.028 -9.066 1.00 0.00 C ATOM 787 C ASP A 50 -5.543 -0.584 -8.769 1.00 0.00 C ATOM 788 O ASP A 50 -4.742 -1.291 -8.144 1.00 0.00 O ATOM 789 CB ASP A 50 -8.013 -0.300 -8.170 1.00 0.00 C ATOM 790 CG ASP A 50 -9.456 -0.183 -8.652 1.00 0.00 C ATOM 791 OD1 ASP A 50 -9.908 -0.707 -9.662 1.00 0.00 O ATOM 792 OD2 ASP A 50 -10.197 0.599 -7.824 1.00 0.00 O ATOM 0 H ASP A 50 -7.430 -2.722 -7.908 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.198 -0.773 -10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.025 -0.805 -7.204 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.637 0.708 -7.998 1.00 0.00 H new ATOM 798 N LYS A 51 -5.215 0.644 -9.175 1.00 0.00 N ATOM 799 CA LYS A 51 -3.854 1.166 -9.014 1.00 0.00 C ATOM 800 C LYS A 51 -3.610 1.905 -7.679 1.00 0.00 C ATOM 801 O LYS A 51 -4.329 2.798 -7.224 1.00 0.00 O ATOM 802 CB LYS A 51 -3.609 2.014 -10.259 1.00 0.00 C ATOM 803 CG LYS A 51 -3.917 1.306 -11.596 1.00 0.00 C ATOM 804 CD LYS A 51 -3.360 -0.117 -11.815 1.00 0.00 C ATOM 805 CE LYS A 51 -3.316 -0.515 -13.295 1.00 0.00 C ATOM 806 NZ LYS A 51 -2.946 -1.939 -13.408 1.00 0.00 N ATOM 0 H LYS A 51 -5.867 1.293 -9.615 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.127 0.357 -8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.218 2.916 -10.193 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.567 2.333 -10.265 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.000 1.260 -11.706 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.542 1.938 -12.401 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.355 -0.178 -11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.976 -0.832 -11.269 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.287 -0.342 -13.759 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.594 0.103 -13.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.362 -2.080 -14.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.407 -2.226 -12.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.808 -2.517 -13.481 1.00 0.00 H new ATOM 819 N VAL A 52 -2.526 1.446 -7.089 1.00 0.00 N ATOM 820 CA VAL A 52 -2.075 1.830 -5.736 1.00 0.00 C ATOM 821 C VAL A 52 -0.535 2.148 -5.733 1.00 0.00 C ATOM 822 O VAL A 52 0.255 1.654 -6.539 1.00 0.00 O ATOM 823 CB VAL A 52 -2.493 0.695 -4.727 1.00 0.00 C ATOM 824 CG1 VAL A 52 -3.994 0.384 -4.626 1.00 0.00 C ATOM 825 CG2 VAL A 52 -1.884 -0.696 -4.937 1.00 0.00 C ATOM 0 H VAL A 52 -1.904 0.774 -7.538 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.559 2.752 -5.412 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.099 1.183 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.152 -0.413 -3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.530 1.278 -4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.366 0.067 -5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.259 -1.376 -4.172 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.162 -1.070 -5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.798 -0.632 -4.866 1.00 0.00 H new ATOM 835 N THR A 53 -0.083 3.007 -4.818 1.00 0.00 N ATOM 836 CA THR A 53 1.369 3.329 -4.615 1.00 0.00 C ATOM 837 C THR A 53 1.405 3.475 -3.059 1.00 0.00 C ATOM 838 O THR A 53 0.790 4.331 -2.416 1.00 0.00 O ATOM 839 CB THR A 53 1.786 4.579 -5.436 1.00 0.00 C ATOM 840 OG1 THR A 53 1.747 4.256 -6.822 1.00 0.00 O ATOM 841 CG2 THR A 53 3.210 5.086 -5.173 1.00 0.00 C ATOM 0 H THR A 53 -0.701 3.512 -4.183 1.00 0.00 H new ATOM 0 HA THR A 53 2.093 2.596 -4.970 1.00 0.00 H new ATOM 0 HB THR A 53 1.085 5.357 -5.133 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.413 3.342 -6.936 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.405 5.961 -5.793 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.312 5.357 -4.122 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.926 4.301 -5.416 1.00 0.00 H new ATOM 849 N VAL A 54 2.089 2.504 -2.481 1.00 0.00 N ATOM 850 CA VAL A 54 1.913 2.071 -1.069 1.00 0.00 C ATOM 851 C VAL A 54 3.306 2.142 -0.391 1.00 0.00 C ATOM 852 O VAL A 54 4.289 1.583 -0.890 1.00 0.00 O ATOM 853 CB VAL A 54 1.214 0.658 -1.201 1.00 0.00 C ATOM 854 CG1 VAL A 54 0.977 -0.228 -0.008 1.00 0.00 C ATOM 855 CG2 VAL A 54 -0.036 0.565 -2.108 1.00 0.00 C ATOM 0 H VAL A 54 2.804 1.970 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 54 1.285 2.679 -0.418 1.00 0.00 H new ATOM 0 HB VAL A 54 2.097 0.246 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.486 -1.146 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.931 -0.471 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.343 0.291 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.412 -0.458 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.809 1.236 -1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.230 0.852 -3.125 1.00 0.00 H new ATOM 865 N GLU A 55 3.414 2.895 0.712 1.00 0.00 N ATOM 866 CA GLU A 55 4.726 3.196 1.326 1.00 0.00 C ATOM 867 C GLU A 55 5.329 2.062 2.200 1.00 0.00 C ATOM 868 O GLU A 55 4.638 1.413 2.986 1.00 0.00 O ATOM 869 CB GLU A 55 4.582 4.478 2.177 1.00 0.00 C ATOM 870 CG GLU A 55 5.853 5.345 2.313 1.00 0.00 C ATOM 871 CD GLU A 55 5.630 6.592 3.148 1.00 0.00 C ATOM 872 OE1 GLU A 55 5.108 7.608 2.709 1.00 0.00 O ATOM 873 OE2 GLU A 55 6.034 6.436 4.435 1.00 0.00 O ATOM 0 H GLU A 55 2.618 3.307 1.199 1.00 0.00 H new ATOM 0 HA GLU A 55 5.426 3.319 0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.792 5.091 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.252 4.192 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.647 4.749 2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.197 5.635 1.320 1.00 0.00 H new ATOM 881 N LEU A 56 6.642 1.898 2.108 1.00 0.00 N ATOM 882 CA LEU A 56 7.399 0.856 2.841 1.00 0.00 C ATOM 883 C LEU A 56 8.827 1.371 3.226 1.00 0.00 C ATOM 884 O LEU A 56 9.184 2.537 3.018 1.00 0.00 O ATOM 885 CB LEU A 56 7.304 -0.470 2.027 1.00 0.00 C ATOM 886 CG LEU A 56 8.233 -0.622 0.809 1.00 0.00 C ATOM 887 CD1 LEU A 56 8.210 -2.076 0.314 1.00 0.00 C ATOM 888 CD2 LEU A 56 7.920 0.314 -0.356 1.00 0.00 C ATOM 0 H LEU A 56 7.232 2.485 1.518 1.00 0.00 H new ATOM 0 HA LEU A 56 6.969 0.627 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.503 -1.298 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.276 -0.581 1.682 1.00 0.00 H new ATOM 0 HG LEU A 56 9.224 -0.339 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.869 -2.177 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.551 -2.737 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.194 -2.347 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.626 0.134 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.906 0.128 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.005 1.349 -0.024 1.00 0.00 H new ATOM 900 N THR A 57 9.653 0.501 3.818 1.00 0.00 N ATOM 901 CA THR A 57 11.043 0.861 4.175 1.00 0.00 C ATOM 902 C THR A 57 12.073 0.546 3.029 1.00 0.00 C ATOM 903 O THR A 57 11.854 -0.369 2.231 1.00 0.00 O ATOM 904 CB THR A 57 11.555 0.074 5.421 1.00 0.00 C ATOM 905 OG1 THR A 57 11.080 -1.265 5.495 1.00 0.00 O ATOM 906 CG2 THR A 57 11.329 0.736 6.769 1.00 0.00 C ATOM 0 H THR A 57 9.391 -0.454 4.062 1.00 0.00 H new ATOM 0 HA THR A 57 10.994 1.933 4.369 1.00 0.00 H new ATOM 0 HB THR A 57 12.629 0.075 5.234 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.977 -1.626 4.590 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.725 0.098 7.559 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.838 1.699 6.791 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.261 0.887 6.926 1.00 0.00 H new ATOM 914 N PRO A 58 13.264 1.202 3.020 1.00 0.00 N ATOM 915 CA PRO A 58 14.429 0.762 2.200 1.00 0.00 C ATOM 916 C PRO A 58 14.947 -0.712 2.367 1.00 0.00 C ATOM 917 O PRO A 58 15.305 -1.387 1.402 1.00 0.00 O ATOM 918 CB PRO A 58 15.477 1.759 2.658 1.00 0.00 C ATOM 919 CG PRO A 58 14.671 3.033 2.851 1.00 0.00 C ATOM 920 CD PRO A 58 13.450 2.535 3.620 1.00 0.00 C ATOM 0 HA PRO A 58 14.165 0.746 1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.960 1.442 3.583 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.264 1.888 1.915 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.226 3.784 3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.394 3.487 1.899 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.632 2.482 4.693 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.581 3.177 3.475 1.00 0.00 H new ATOM 928 N TYR A 59 15.012 -1.151 3.633 1.00 0.00 N ATOM 929 CA TYR A 59 15.568 -2.475 4.038 1.00 0.00 C ATOM 930 C TYR A 59 14.577 -3.681 4.110 1.00 0.00 C ATOM 931 O TYR A 59 14.902 -4.791 3.686 1.00 0.00 O ATOM 932 CB TYR A 59 16.203 -2.241 5.446 1.00 0.00 C ATOM 933 CG TYR A 59 17.372 -3.171 5.797 1.00 0.00 C ATOM 934 CD1 TYR A 59 18.681 -2.811 5.460 1.00 0.00 C ATOM 935 CD2 TYR A 59 17.141 -4.382 6.459 1.00 0.00 C ATOM 936 CE1 TYR A 59 19.745 -3.652 5.782 1.00 0.00 C ATOM 937 CE2 TYR A 59 18.207 -5.222 6.777 1.00 0.00 C ATOM 938 CZ TYR A 59 19.507 -4.854 6.440 1.00 0.00 C ATOM 939 OH TYR A 59 20.556 -5.677 6.748 1.00 0.00 O ATOM 0 H TYR A 59 14.679 -0.598 4.423 1.00 0.00 H new ATOM 0 HA TYR A 59 16.263 -2.782 3.256 1.00 0.00 H new ATOM 0 HB2 TYR A 59 16.550 -1.209 5.504 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.426 -2.359 6.202 1.00 0.00 H new ATOM 0 HD1 TYR A 59 18.868 -1.878 4.949 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.134 -4.667 6.724 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.754 -3.370 5.521 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.025 -6.158 7.284 1.00 0.00 H new ATOM 0 HH TYR A 59 20.221 -6.476 7.207 1.00 0.00 H new ATOM 949 N ASP A 60 13.405 -3.469 4.722 1.00 0.00 N ATOM 950 CA ASP A 60 12.426 -4.551 5.019 1.00 0.00 C ATOM 951 C ASP A 60 11.216 -4.571 4.027 1.00 0.00 C ATOM 952 O ASP A 60 10.107 -4.118 4.328 1.00 0.00 O ATOM 953 CB ASP A 60 12.071 -4.378 6.521 1.00 0.00 C ATOM 954 CG ASP A 60 11.470 -5.624 7.161 1.00 0.00 C ATOM 955 OD1 ASP A 60 12.130 -6.464 7.761 1.00 0.00 O ATOM 956 OD2 ASP A 60 10.125 -5.709 6.988 1.00 0.00 O ATOM 0 H ASP A 60 13.098 -2.546 5.030 1.00 0.00 H new ATOM 0 HA ASP A 60 12.841 -5.546 4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.972 -4.099 7.067 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.367 -3.552 6.625 1.00 0.00 H new ATOM 962 N LEU A 61 11.437 -5.179 2.852 1.00 0.00 N ATOM 963 CA LEU A 61 10.419 -5.262 1.762 1.00 0.00 C ATOM 964 C LEU A 61 9.352 -6.412 1.886 1.00 0.00 C ATOM 965 O LEU A 61 8.986 -7.078 0.916 1.00 0.00 O ATOM 966 CB LEU A 61 11.135 -5.294 0.366 1.00 0.00 C ATOM 967 CG LEU A 61 12.251 -4.295 -0.062 1.00 0.00 C ATOM 968 CD1 LEU A 61 12.028 -2.854 0.409 1.00 0.00 C ATOM 969 CD2 LEU A 61 13.658 -4.759 0.347 1.00 0.00 C ATOM 0 H LEU A 61 12.321 -5.630 2.618 1.00 0.00 H new ATOM 0 HA LEU A 61 9.821 -4.357 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.564 -6.291 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.347 -5.210 -0.383 1.00 0.00 H new ATOM 0 HG LEU A 61 12.182 -4.291 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.852 -2.228 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.091 -2.478 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.982 -2.830 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.393 -4.023 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.705 -4.865 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.875 -5.719 -0.121 1.00 0.00 H new ATOM 981 N SER A 62 8.821 -6.621 3.091 1.00 0.00 N ATOM 982 CA SER A 62 7.721 -7.579 3.367 1.00 0.00 C ATOM 983 C SER A 62 6.280 -6.960 3.378 1.00 0.00 C ATOM 984 O SER A 62 5.306 -7.662 3.091 1.00 0.00 O ATOM 985 CB SER A 62 8.088 -8.187 4.740 1.00 0.00 C ATOM 986 OG SER A 62 9.262 -8.999 4.667 1.00 0.00 O ATOM 0 H SER A 62 9.140 -6.127 3.924 1.00 0.00 H new ATOM 0 HA SER A 62 7.653 -8.312 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.245 -7.385 5.462 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.254 -8.786 5.106 1.00 0.00 H new ATOM 0 HG SER A 62 9.463 -9.364 5.554 1.00 0.00 H new ATOM 992 N LYS A 63 6.140 -5.668 3.727 1.00 0.00 N ATOM 993 CA LYS A 63 4.839 -4.981 3.898 1.00 0.00 C ATOM 994 C LYS A 63 4.750 -3.587 3.174 1.00 0.00 C ATOM 995 O LYS A 63 5.681 -3.116 2.517 1.00 0.00 O ATOM 996 CB LYS A 63 4.689 -4.865 5.437 1.00 0.00 C ATOM 997 CG LYS A 63 4.255 -6.171 6.144 1.00 0.00 C ATOM 998 CD LYS A 63 2.817 -6.141 6.695 1.00 0.00 C ATOM 999 CE LYS A 63 2.430 -7.466 7.366 1.00 0.00 C ATOM 1000 NZ LYS A 63 1.050 -7.370 7.876 1.00 0.00 N ATOM 0 H LYS A 63 6.939 -5.059 3.902 1.00 0.00 H new ATOM 0 HA LYS A 63 4.027 -5.538 3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.640 -4.539 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.959 -4.087 5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.346 -6.999 5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.943 -6.373 6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.722 -5.329 7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.122 -5.930 5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.510 -8.285 6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.117 -7.687 8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.785 -8.267 8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.989 -6.598 8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.401 -7.177 7.087 1.00 0.00 H new ATOM 1013 N GLY A 64 3.599 -2.923 3.340 1.00 0.00 N ATOM 1014 CA GLY A 64 3.338 -1.562 2.789 1.00 0.00 C ATOM 1015 C GLY A 64 2.123 -0.784 3.367 1.00 0.00 C ATOM 1016 O GLY A 64 1.373 -1.308 4.193 1.00 0.00 O ATOM 0 H GLY A 64 2.810 -3.306 3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.232 -0.957 2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.199 -1.654 1.712 1.00 0.00 H new ATOM 1020 N ARG A 65 1.892 0.476 2.929 1.00 0.00 N ATOM 1021 CA ARG A 65 0.618 1.211 3.233 1.00 0.00 C ATOM 1022 C ARG A 65 0.243 2.379 2.212 1.00 0.00 C ATOM 1023 O ARG A 65 1.004 3.342 2.122 1.00 0.00 O ATOM 1024 CB ARG A 65 0.565 1.646 4.739 1.00 0.00 C ATOM 1025 CG ARG A 65 0.967 3.057 5.241 1.00 0.00 C ATOM 1026 CD ARG A 65 -0.164 4.105 5.179 1.00 0.00 C ATOM 1027 NE ARG A 65 0.144 5.283 6.039 1.00 0.00 N ATOM 1028 CZ ARG A 65 -0.320 5.494 7.264 1.00 0.00 C ATOM 1029 NH1 ARG A 65 -1.062 4.655 7.924 1.00 0.00 N ATOM 1030 NH2 ARG A 65 -0.016 6.610 7.825 1.00 0.00 N ATOM 0 H ARG A 65 2.557 1.010 2.369 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.184 0.491 3.070 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -0.462 1.485 5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.189 0.938 5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.315 2.977 6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.809 3.414 4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.305 4.431 4.148 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.101 3.652 5.501 1.00 0.00 H new ATOM 0 HE ARG A 65 0.768 5.991 5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.324 3.764 7.502 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.382 4.887 8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.560 7.290 7.329 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.351 6.815 8.766 1.00 0.00 H new ATOM 1043 N ILE A 66 -0.847 2.313 1.388 1.00 0.00 N ATOM 1044 CA ILE A 66 -1.340 3.447 0.503 1.00 0.00 C ATOM 1045 C ILE A 66 -1.393 4.843 1.224 1.00 0.00 C ATOM 1046 O ILE A 66 -2.302 5.148 2.000 1.00 0.00 O ATOM 1047 CB ILE A 66 -2.743 3.251 -0.219 1.00 0.00 C ATOM 1048 CG1 ILE A 66 -3.135 1.925 -0.919 1.00 0.00 C ATOM 1049 CG2 ILE A 66 -2.941 4.317 -1.341 1.00 0.00 C ATOM 1050 CD1 ILE A 66 -2.779 0.621 -0.221 1.00 0.00 C ATOM 0 H ILE A 66 -1.420 1.473 1.310 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.566 3.422 -0.264 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.368 3.312 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.213 1.936 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.668 1.916 -1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.907 4.164 -1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.907 5.315 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.148 4.217 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.115 -0.220 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.699 0.563 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.268 0.584 0.752 1.00 0.00 H new ATOM 1062 N VAL A 67 -0.429 5.697 0.899 1.00 0.00 N ATOM 1063 CA VAL A 67 -0.278 7.044 1.499 1.00 0.00 C ATOM 1064 C VAL A 67 -0.939 8.209 0.691 1.00 0.00 C ATOM 1065 O VAL A 67 -0.926 8.240 -0.542 1.00 0.00 O ATOM 1066 CB VAL A 67 1.242 7.318 1.757 1.00 0.00 C ATOM 1067 CG1 VAL A 67 1.739 6.689 3.073 1.00 0.00 C ATOM 1068 CG2 VAL A 67 2.235 7.013 0.611 1.00 0.00 C ATOM 0 H VAL A 67 0.286 5.483 0.204 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.832 7.030 2.438 1.00 0.00 H new ATOM 0 HB VAL A 67 1.251 8.406 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.799 6.909 3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.177 7.104 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.594 5.609 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.248 7.251 0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.176 5.956 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.981 7.616 -0.261 1.00 0.00 H new