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 160:sc= 0.349 USER MOD Set 1.2: A 51 LYS NZ :NH3+ -159:sc= 0.364 (180deg=0) USER MOD Set 2.1: A 15 THR OG1 : rot -86:sc= 0.826 USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= 0.728 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -4.07! C(o=-4.1!,f=-9.9!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 19 THR OG1 : rot 13:sc= 1.22 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0935 K(o=-0.093,f=-4) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.223 USER MOD Single : A 34 HIS : no HD1:sc= -0.0225 X(o=-0.022,f=-0.022) USER MOD Single : A 36 SER OG : rot -93:sc= 0.985 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 172:sc= -0.221 (180deg=-0.296) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 43 TYR OH : rot -95:sc= 1.35 USER MOD Single : A 53 THR OG1 : rot 5:sc= 0.203 USER MOD Single : A 57 THR OG1 : rot 58:sc= 0.973 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+ -139:sc= 0.421 (180deg=0.00647) USER MOD ----------------------------------------------------------------- ATOM 62 N ASN A 5 11.592 5.973 4.689 1.00 0.00 N ATOM 63 CA ASN A 5 10.537 5.053 4.165 1.00 0.00 C ATOM 64 C ASN A 5 9.966 5.557 2.784 1.00 0.00 C ATOM 65 O ASN A 5 9.409 6.657 2.705 1.00 0.00 O ATOM 66 CB ASN A 5 9.378 4.951 5.196 1.00 0.00 C ATOM 67 CG ASN A 5 9.681 4.326 6.559 1.00 0.00 C ATOM 68 OD1 ASN A 5 10.812 4.074 6.956 1.00 0.00 O ATOM 69 ND2 ASN A 5 8.665 4.057 7.335 1.00 0.00 N ATOM 0 HA ASN A 5 10.990 4.074 4.009 1.00 0.00 H new ATOM 0 HB2 ASN A 5 8.995 5.957 5.368 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.573 4.377 4.737 1.00 0.00 H new ATOM 0 HD21 ASN A 5 8.821 3.644 8.255 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.716 4.260 7.021 1.00 0.00 H new ATOM 76 N ILE A 6 10.090 4.779 1.700 1.00 0.00 N ATOM 77 CA ILE A 6 9.746 5.220 0.313 1.00 0.00 C ATOM 78 C ILE A 6 8.252 4.944 -0.030 1.00 0.00 C ATOM 79 O ILE A 6 7.642 4.051 0.557 1.00 0.00 O ATOM 80 CB ILE A 6 10.644 4.481 -0.769 1.00 0.00 C ATOM 81 CG1 ILE A 6 12.010 3.935 -0.283 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.839 5.357 -2.039 1.00 0.00 C ATOM 83 CD1 ILE A 6 12.846 3.103 -1.275 1.00 0.00 C ATOM 0 H ILE A 6 10.432 3.819 1.745 1.00 0.00 H new ATOM 0 HA ILE A 6 9.934 6.293 0.283 1.00 0.00 H new ATOM 0 HB ILE A 6 10.062 3.590 -1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.615 4.783 0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.830 3.322 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.458 4.822 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.868 5.573 -2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.328 6.292 -1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 6 13.774 2.790 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 6 12.280 2.223 -1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.077 3.707 -2.152 1.00 0.00 H new ATOM 95 N GLU A 7 7.673 5.670 -0.999 1.00 0.00 N ATOM 96 CA GLU A 7 6.366 5.271 -1.613 1.00 0.00 C ATOM 97 C GLU A 7 6.578 4.717 -3.021 1.00 0.00 C ATOM 98 O GLU A 7 7.170 5.313 -3.926 1.00 0.00 O ATOM 99 CB GLU A 7 5.186 6.232 -1.498 1.00 0.00 C ATOM 100 CG GLU A 7 5.433 7.561 -2.186 1.00 0.00 C ATOM 101 CD GLU A 7 4.251 8.498 -2.407 1.00 0.00 C ATOM 102 OE1 GLU A 7 4.081 9.548 -1.797 1.00 0.00 O ATOM 103 OE2 GLU A 7 3.408 8.047 -3.375 1.00 0.00 O ATOM 0 H GLU A 7 8.071 6.528 -1.380 1.00 0.00 H new ATOM 0 HA GLU A 7 6.010 4.474 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.301 5.765 -1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.971 6.409 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.180 8.101 -1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.877 7.353 -3.159 1.00 0.00 H new ATOM 111 N MET A 8 6.125 3.466 -3.106 1.00 0.00 N ATOM 112 CA MET A 8 6.662 2.542 -4.104 1.00 0.00 C ATOM 113 C MET A 8 5.782 1.274 -4.143 1.00 0.00 C ATOM 114 O MET A 8 6.112 0.252 -3.544 1.00 0.00 O ATOM 115 CB MET A 8 8.143 2.318 -3.617 1.00 0.00 C ATOM 116 CG MET A 8 8.883 1.234 -4.353 1.00 0.00 C ATOM 117 SD MET A 8 10.666 1.311 -4.123 1.00 0.00 S ATOM 118 CE MET A 8 11.118 -0.096 -5.153 1.00 0.00 C ATOM 0 H MET A 8 5.399 3.074 -2.506 1.00 0.00 H new ATOM 0 HA MET A 8 6.659 2.896 -5.135 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.693 3.253 -3.724 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.130 2.075 -2.554 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.521 0.263 -4.016 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.657 1.307 -5.417 1.00 0.00 H new ATOM 0 HE1 MET A 8 12.201 -0.221 -5.144 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.646 -0.998 -4.764 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.781 0.078 -6.175 1.00 0.00 H new ATOM 128 N GLN A 9 4.623 1.345 -4.808 1.00 0.00 N ATOM 129 CA GLN A 9 3.770 0.154 -5.035 1.00 0.00 C ATOM 130 C GLN A 9 3.106 0.022 -6.437 1.00 0.00 C ATOM 131 O GLN A 9 3.528 0.656 -7.407 1.00 0.00 O ATOM 132 CB GLN A 9 3.038 -0.324 -3.763 1.00 0.00 C ATOM 133 CG GLN A 9 3.356 -1.719 -3.140 1.00 0.00 C ATOM 134 CD GLN A 9 4.542 -1.870 -2.168 1.00 0.00 C ATOM 135 OE1 GLN A 9 5.392 -2.728 -2.309 1.00 0.00 O ATOM 136 NE2 GLN A 9 4.622 -1.158 -1.080 1.00 0.00 N ATOM 0 H GLN A 9 4.248 2.208 -5.201 1.00 0.00 H new ATOM 0 HA GLN A 9 4.441 -0.690 -5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.219 0.422 -2.989 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.970 -0.305 -3.981 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.461 -2.053 -2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.520 -2.414 -3.964 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.939 -0.422 -0.901 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.367 -1.337 -0.407 1.00 0.00 H new ATOM 145 N GLY A 10 2.159 -0.915 -6.550 1.00 0.00 N ATOM 146 CA GLY A 10 1.663 -1.388 -7.860 1.00 0.00 C ATOM 147 C GLY A 10 0.164 -1.557 -8.127 1.00 0.00 C ATOM 148 O GLY A 10 -0.566 -0.592 -8.343 1.00 0.00 O ATOM 0 H GLY A 10 1.715 -1.366 -5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.045 -0.698 -8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.131 -2.355 -8.047 1.00 0.00 H new ATOM 152 N THR A 11 -0.275 -2.817 -8.216 1.00 0.00 N ATOM 153 CA THR A 11 -1.691 -3.160 -8.516 1.00 0.00 C ATOM 154 C THR A 11 -2.196 -4.016 -7.339 1.00 0.00 C ATOM 155 O THR A 11 -1.497 -4.929 -6.871 1.00 0.00 O ATOM 156 CB THR A 11 -1.751 -3.889 -9.894 1.00 0.00 C ATOM 157 OG1 THR A 11 -1.264 -3.027 -10.918 1.00 0.00 O ATOM 158 CG2 THR A 11 -3.157 -4.305 -10.346 1.00 0.00 C ATOM 0 H THR A 11 0.327 -3.630 -8.085 1.00 0.00 H new ATOM 0 HA THR A 11 -2.337 -2.286 -8.607 1.00 0.00 H new ATOM 0 HB THR A 11 -1.150 -4.787 -9.748 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.001 -3.560 -11.697 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.096 -4.804 -11.313 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.588 -4.987 -9.613 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.788 -3.420 -10.433 1.00 0.00 H new ATOM 166 N VAL A 12 -3.412 -3.731 -6.838 1.00 0.00 N ATOM 167 CA VAL A 12 -4.004 -4.545 -5.750 1.00 0.00 C ATOM 168 C VAL A 12 -4.168 -6.049 -6.305 1.00 0.00 C ATOM 169 O VAL A 12 -4.921 -6.239 -7.266 1.00 0.00 O ATOM 170 CB VAL A 12 -5.470 -4.116 -5.360 1.00 0.00 C ATOM 171 CG1 VAL A 12 -5.982 -5.038 -4.239 1.00 0.00 C ATOM 172 CG2 VAL A 12 -5.818 -2.682 -4.919 1.00 0.00 C ATOM 0 H VAL A 12 -3.997 -2.960 -7.159 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.348 -4.429 -4.887 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.944 -4.192 -6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.996 -4.748 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.983 -6.070 -4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.331 -4.950 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.884 -2.617 -4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.248 -2.428 -4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.569 -1.985 -5.719 1.00 0.00 H new ATOM 182 N LEU A 13 -3.531 -7.100 -5.770 1.00 0.00 N ATOM 183 CA LEU A 13 -3.920 -8.517 -6.120 1.00 0.00 C ATOM 184 C LEU A 13 -5.163 -8.972 -5.291 1.00 0.00 C ATOM 185 O LEU A 13 -6.076 -9.577 -5.854 1.00 0.00 O ATOM 186 CB LEU A 13 -2.793 -9.583 -6.052 1.00 0.00 C ATOM 187 CG LEU A 13 -1.538 -9.387 -6.930 1.00 0.00 C ATOM 188 CD1 LEU A 13 -0.636 -10.625 -6.782 1.00 0.00 C ATOM 189 CD2 LEU A 13 -1.851 -9.172 -8.422 1.00 0.00 C ATOM 0 H LEU A 13 -2.760 -7.024 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.167 -8.465 -7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.464 -9.652 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.232 -10.546 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.045 -8.479 -6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.255 -10.501 -7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.344 -10.740 -5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.180 -11.512 -7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.920 -9.042 -8.974 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.385 -10.039 -8.810 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.470 -8.282 -8.539 1.00 0.00 H new ATOM 201 N GLU A 14 -5.197 -8.708 -3.972 1.00 0.00 N ATOM 202 CA GLU A 14 -6.413 -8.912 -3.147 1.00 0.00 C ATOM 203 C GLU A 14 -6.749 -7.649 -2.303 1.00 0.00 C ATOM 204 O GLU A 14 -5.896 -7.001 -1.714 1.00 0.00 O ATOM 205 CB GLU A 14 -6.219 -10.145 -2.252 1.00 0.00 C ATOM 206 CG GLU A 14 -7.364 -10.500 -1.279 1.00 0.00 C ATOM 207 CD GLU A 14 -8.618 -11.121 -1.884 1.00 0.00 C ATOM 208 OE1 GLU A 14 -8.898 -12.312 -1.810 1.00 0.00 O ATOM 209 OE2 GLU A 14 -9.399 -10.197 -2.505 1.00 0.00 O ATOM 0 H GLU A 14 -4.397 -8.352 -3.449 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.262 -9.082 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.045 -11.006 -2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.312 -9.997 -1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.972 -11.189 -0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.656 -9.591 -0.753 1.00 0.00 H new ATOM 217 N THR A 15 -8.041 -7.407 -2.181 1.00 0.00 N ATOM 218 CA THR A 15 -8.621 -6.351 -1.268 1.00 0.00 C ATOM 219 C THR A 15 -9.134 -7.225 -0.091 1.00 0.00 C ATOM 220 O THR A 15 -10.106 -7.981 -0.226 1.00 0.00 O ATOM 221 CB THR A 15 -9.805 -5.576 -1.901 1.00 0.00 C ATOM 222 OG1 THR A 15 -10.778 -6.437 -2.487 1.00 0.00 O ATOM 223 CG2 THR A 15 -9.301 -4.633 -2.974 1.00 0.00 C ATOM 0 H THR A 15 -8.750 -7.923 -2.702 1.00 0.00 H new ATOM 0 HA THR A 15 -7.899 -5.577 -1.009 1.00 0.00 H new ATOM 0 HB THR A 15 -10.278 -5.025 -1.088 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.517 -6.647 -3.408 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.143 -4.095 -3.410 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.604 -3.920 -2.534 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.793 -5.204 -3.751 1.00 0.00 H new ATOM 231 N LEU A 16 -8.445 -7.159 1.039 1.00 0.00 N ATOM 232 CA LEU A 16 -8.640 -8.131 2.143 1.00 0.00 C ATOM 233 C LEU A 16 -9.965 -7.923 3.004 1.00 0.00 C ATOM 234 O LEU A 16 -10.779 -7.075 2.629 1.00 0.00 O ATOM 235 CB LEU A 16 -7.262 -7.855 2.812 1.00 0.00 C ATOM 236 CG LEU A 16 -6.124 -8.875 2.676 1.00 0.00 C ATOM 237 CD1 LEU A 16 -6.453 -10.373 2.646 1.00 0.00 C ATOM 238 CD2 LEU A 16 -5.288 -8.553 1.439 1.00 0.00 C ATOM 0 H LEU A 16 -7.741 -6.446 1.231 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.841 -9.174 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.895 -6.907 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.442 -7.711 3.877 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.601 -8.746 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.531 -10.946 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.956 -10.654 3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.106 -10.585 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.481 -9.280 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.919 -8.597 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.866 -7.553 1.535 1.00 0.00 H new ATOM 250 N PRO A 17 -10.281 -8.658 4.123 1.00 0.00 N ATOM 251 CA PRO A 17 -11.585 -8.561 4.849 1.00 0.00 C ATOM 252 C PRO A 17 -12.109 -7.163 5.304 1.00 0.00 C ATOM 253 O PRO A 17 -13.258 -6.818 5.026 1.00 0.00 O ATOM 254 CB PRO A 17 -11.305 -9.552 5.990 1.00 0.00 C ATOM 255 CG PRO A 17 -9.841 -9.502 6.265 1.00 0.00 C ATOM 256 CD PRO A 17 -9.362 -9.547 4.850 1.00 0.00 C ATOM 0 HA PRO A 17 -12.434 -8.781 4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -11.874 -9.284 6.881 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -11.610 -10.560 5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.537 -8.595 6.788 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.491 -10.346 6.860 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -8.331 -9.204 4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.393 -10.561 4.452 1.00 0.00 H new ATOM 264 N ASN A 18 -11.277 -6.372 6.000 1.00 0.00 N ATOM 265 CA ASN A 18 -11.617 -4.975 6.366 1.00 0.00 C ATOM 266 C ASN A 18 -11.450 -4.080 5.093 1.00 0.00 C ATOM 267 O ASN A 18 -12.414 -3.867 4.356 1.00 0.00 O ATOM 268 CB ASN A 18 -10.817 -4.604 7.630 1.00 0.00 C ATOM 269 CG ASN A 18 -11.142 -5.301 8.944 1.00 0.00 C ATOM 270 OD1 ASN A 18 -11.464 -6.478 9.032 1.00 0.00 O ATOM 271 ND2 ASN A 18 -10.919 -4.627 10.033 1.00 0.00 N ATOM 0 H ASN A 18 -10.358 -6.672 6.325 1.00 0.00 H new ATOM 0 HA ASN A 18 -12.656 -4.818 6.657 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.763 -4.782 7.416 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.933 -3.532 7.789 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.013 -5.080 10.942 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.650 -3.645 9.979 1.00 0.00 H new ATOM 278 N THR A 19 -10.242 -3.572 4.827 1.00 0.00 N ATOM 279 CA THR A 19 -9.891 -2.838 3.575 1.00 0.00 C ATOM 280 C THR A 19 -8.329 -2.824 3.500 1.00 0.00 C ATOM 281 O THR A 19 -7.672 -1.832 3.837 1.00 0.00 O ATOM 282 CB THR A 19 -10.596 -1.462 3.489 1.00 0.00 C ATOM 283 OG1 THR A 19 -11.986 -1.614 3.218 1.00 0.00 O ATOM 284 CG2 THR A 19 -10.105 -0.515 2.382 1.00 0.00 C ATOM 0 H THR A 19 -9.459 -3.653 5.476 1.00 0.00 H new ATOM 0 HA THR A 19 -10.267 -3.333 2.679 1.00 0.00 H new ATOM 0 HB THR A 19 -10.367 -1.030 4.463 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.245 -2.550 3.352 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.672 0.415 2.421 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.046 -0.301 2.529 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.248 -0.987 1.410 1.00 0.00 H new ATOM 292 N MET A 20 -7.730 -3.976 3.145 1.00 0.00 N ATOM 293 CA MET A 20 -6.252 -4.116 2.974 1.00 0.00 C ATOM 294 C MET A 20 -5.887 -4.631 1.550 1.00 0.00 C ATOM 295 O MET A 20 -6.764 -4.884 0.748 1.00 0.00 O ATOM 296 CB MET A 20 -5.630 -4.872 4.188 1.00 0.00 C ATOM 297 CG MET A 20 -5.897 -4.133 5.500 1.00 0.00 C ATOM 298 SD MET A 20 -5.114 -4.915 6.924 1.00 0.00 S ATOM 299 CE MET A 20 -6.342 -6.179 7.304 1.00 0.00 C ATOM 0 H MET A 20 -8.245 -4.838 2.967 1.00 0.00 H new ATOM 0 HA MET A 20 -5.770 -3.139 3.003 1.00 0.00 H new ATOM 0 HB2 MET A 20 -6.046 -5.878 4.244 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.555 -4.979 4.041 1.00 0.00 H new ATOM 0 HG2 MET A 20 -5.537 -3.108 5.412 1.00 0.00 H new ATOM 0 HG3 MET A 20 -6.973 -4.080 5.668 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.013 -6.759 8.166 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.296 -5.703 7.530 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.461 -6.841 6.446 1.00 0.00 H new ATOM 309 N PHE A 21 -4.619 -4.745 1.172 1.00 0.00 N ATOM 310 CA PHE A 21 -4.197 -4.888 -0.259 1.00 0.00 C ATOM 311 C PHE A 21 -3.031 -5.912 -0.296 1.00 0.00 C ATOM 312 O PHE A 21 -1.950 -5.635 0.240 1.00 0.00 O ATOM 313 CB PHE A 21 -3.698 -3.525 -0.815 1.00 0.00 C ATOM 314 CG PHE A 21 -4.772 -2.446 -0.733 1.00 0.00 C ATOM 315 CD1 PHE A 21 -5.909 -2.641 -1.497 1.00 0.00 C ATOM 316 CD2 PHE A 21 -4.862 -1.743 0.456 1.00 0.00 C ATOM 317 CE1 PHE A 21 -7.133 -2.142 -1.067 1.00 0.00 C ATOM 318 CE2 PHE A 21 -6.104 -1.270 0.871 1.00 0.00 C ATOM 319 CZ PHE A 21 -7.205 -1.356 0.048 1.00 0.00 C ATOM 0 H PHE A 21 -3.839 -4.743 1.830 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.037 -5.220 -0.868 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.819 -3.205 -0.255 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.387 -3.649 -1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.845 -3.182 -2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.981 -1.564 1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.032 -2.377 -1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.205 -0.830 1.852 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.109 -0.812 0.280 1.00 0.00 H new ATOM 329 N ARG A 22 -3.208 -7.089 -0.902 1.00 0.00 N ATOM 330 CA ARG A 22 -2.065 -8.005 -1.157 1.00 0.00 C ATOM 331 C ARG A 22 -1.488 -7.534 -2.514 1.00 0.00 C ATOM 332 O ARG A 22 -2.036 -7.849 -3.565 1.00 0.00 O ATOM 333 CB ARG A 22 -2.475 -9.472 -1.123 1.00 0.00 C ATOM 334 CG ARG A 22 -1.280 -10.389 -0.796 1.00 0.00 C ATOM 335 CD ARG A 22 -0.977 -10.569 0.705 1.00 0.00 C ATOM 336 NE ARG A 22 -1.996 -11.446 1.344 1.00 0.00 N ATOM 337 CZ ARG A 22 -2.199 -11.571 2.647 1.00 0.00 C ATOM 338 NH1 ARG A 22 -1.547 -10.916 3.561 1.00 0.00 N ATOM 339 NH2 ARG A 22 -3.099 -12.407 3.024 1.00 0.00 N ATOM 0 H ARG A 22 -4.111 -7.437 -1.225 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.305 -7.956 -0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.258 -9.614 -0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.898 -9.754 -2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.467 -11.370 -1.232 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.391 -9.988 -1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.015 -11.003 0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.965 -9.597 1.198 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.589 -11.998 0.725 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.822 -10.251 3.292 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.761 -11.067 4.547 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.622 -12.941 2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.290 -12.537 4.017 1.00 0.00 H new ATOM 352 N VAL A 23 -0.454 -6.704 -2.481 1.00 0.00 N ATOM 353 CA VAL A 23 -0.069 -5.896 -3.683 1.00 0.00 C ATOM 354 C VAL A 23 1.113 -6.470 -4.485 1.00 0.00 C ATOM 355 O VAL A 23 2.146 -6.831 -3.927 1.00 0.00 O ATOM 356 CB VAL A 23 0.226 -4.396 -3.328 1.00 0.00 C ATOM 357 CG1 VAL A 23 0.019 -3.418 -4.491 1.00 0.00 C ATOM 358 CG2 VAL A 23 -0.683 -3.813 -2.241 1.00 0.00 C ATOM 0 H VAL A 23 0.138 -6.558 -1.663 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.950 -5.951 -4.322 1.00 0.00 H new ATOM 0 HB VAL A 23 1.268 -4.467 -3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.245 -2.405 -4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.681 -3.686 -5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.016 -3.467 -4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.411 -2.774 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.721 -3.864 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.565 -4.386 -1.322 1.00 0.00 H new ATOM 368 N GLU A 24 0.977 -6.461 -5.809 1.00 0.00 N ATOM 369 CA GLU A 24 2.112 -6.805 -6.710 1.00 0.00 C ATOM 370 C GLU A 24 2.802 -5.466 -7.100 1.00 0.00 C ATOM 371 O GLU A 24 2.192 -4.646 -7.789 1.00 0.00 O ATOM 372 CB GLU A 24 1.580 -7.601 -7.922 1.00 0.00 C ATOM 373 CG GLU A 24 2.679 -8.132 -8.875 1.00 0.00 C ATOM 374 CD GLU A 24 2.146 -9.040 -9.978 1.00 0.00 C ATOM 375 OE1 GLU A 24 1.732 -10.178 -9.787 1.00 0.00 O ATOM 376 OE2 GLU A 24 2.178 -8.448 -11.201 1.00 0.00 O ATOM 0 H GLU A 24 0.110 -6.225 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 24 2.851 -7.447 -6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.994 -8.445 -7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.902 -6.964 -8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.193 -7.285 -9.330 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.420 -8.679 -8.292 1.00 0.00 H new ATOM 384 N LEU A 25 4.046 -5.245 -6.655 1.00 0.00 N ATOM 385 CA LEU A 25 4.804 -3.997 -6.847 1.00 0.00 C ATOM 386 C LEU A 25 5.014 -3.494 -8.308 1.00 0.00 C ATOM 387 O LEU A 25 4.686 -4.135 -9.310 1.00 0.00 O ATOM 388 CB LEU A 25 6.213 -4.397 -6.249 1.00 0.00 C ATOM 389 CG LEU A 25 6.632 -3.602 -5.019 1.00 0.00 C ATOM 390 CD1 LEU A 25 7.738 -4.304 -4.217 1.00 0.00 C ATOM 391 CD2 LEU A 25 7.102 -2.174 -5.318 1.00 0.00 C ATOM 0 H LEU A 25 4.570 -5.949 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 25 4.261 -3.169 -6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.196 -5.456 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.970 -4.269 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 25 5.715 -3.544 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.001 -3.697 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.382 -5.278 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.617 -4.436 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.381 -1.680 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.964 -2.207 -5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.295 -1.618 -5.796 1.00 0.00 H new ATOM 403 N GLU A 26 5.689 -2.343 -8.385 1.00 0.00 N ATOM 404 CA GLU A 26 6.225 -1.830 -9.682 1.00 0.00 C ATOM 405 C GLU A 26 7.376 -2.696 -10.314 1.00 0.00 C ATOM 406 O GLU A 26 7.548 -2.690 -11.534 1.00 0.00 O ATOM 407 CB GLU A 26 6.552 -0.317 -9.534 1.00 0.00 C ATOM 408 CG GLU A 26 7.695 0.074 -8.554 1.00 0.00 C ATOM 409 CD GLU A 26 7.978 1.571 -8.493 1.00 0.00 C ATOM 410 OE1 GLU A 26 8.876 2.122 -9.117 1.00 0.00 O ATOM 411 OE2 GLU A 26 7.129 2.228 -7.658 1.00 0.00 O ATOM 0 H GLU A 26 5.884 -1.743 -7.583 1.00 0.00 H new ATOM 0 HA GLU A 26 5.443 -1.936 -10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.806 0.071 -10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.644 0.195 -9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.438 -0.277 -7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.606 -0.445 -8.850 1.00 0.00 H new ATOM 419 N ASN A 27 8.140 -3.453 -9.504 1.00 0.00 N ATOM 420 CA ASN A 27 9.087 -4.480 -9.987 1.00 0.00 C ATOM 421 C ASN A 27 8.492 -5.947 -10.068 1.00 0.00 C ATOM 422 O ASN A 27 9.253 -6.889 -10.297 1.00 0.00 O ATOM 423 CB ASN A 27 10.293 -4.328 -9.021 1.00 0.00 C ATOM 424 CG ASN A 27 10.180 -4.766 -7.565 1.00 0.00 C ATOM 425 OD1 ASN A 27 9.222 -5.372 -7.109 1.00 0.00 O ATOM 426 ND2 ASN A 27 11.188 -4.481 -6.793 1.00 0.00 N ATOM 0 H ASN A 27 8.118 -3.370 -8.488 1.00 0.00 H new ATOM 0 HA ASN A 27 9.365 -4.326 -11.030 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.126 -4.878 -9.458 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.572 -3.274 -9.019 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.176 -4.763 -5.813 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.991 -3.975 -7.168 1.00 0.00 H new ATOM 433 N GLY A 28 7.170 -6.155 -9.866 1.00 0.00 N ATOM 434 CA GLY A 28 6.532 -7.499 -9.872 1.00 0.00 C ATOM 435 C GLY A 28 6.560 -8.388 -8.595 1.00 0.00 C ATOM 436 O GLY A 28 6.140 -9.543 -8.663 1.00 0.00 O ATOM 0 H GLY A 28 6.511 -5.396 -9.694 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.486 -7.358 -10.144 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.996 -8.073 -10.675 1.00 0.00 H new ATOM 440 N HIS A 29 7.004 -7.867 -7.444 1.00 0.00 N ATOM 441 CA HIS A 29 7.101 -8.640 -6.163 1.00 0.00 C ATOM 442 C HIS A 29 5.828 -8.483 -5.261 1.00 0.00 C ATOM 443 O HIS A 29 5.287 -7.386 -5.099 1.00 0.00 O ATOM 444 CB HIS A 29 8.388 -8.194 -5.409 1.00 0.00 C ATOM 445 CG HIS A 29 9.709 -8.760 -5.939 1.00 0.00 C ATOM 446 ND1 HIS A 29 10.498 -9.637 -5.210 1.00 0.00 N ATOM 447 CD2 HIS A 29 10.303 -8.485 -7.185 1.00 0.00 C ATOM 448 CE1 HIS A 29 11.517 -9.826 -6.108 1.00 0.00 C ATOM 449 NE2 HIS A 29 11.497 -9.173 -7.311 1.00 0.00 N ATOM 0 H HIS A 29 7.310 -6.898 -7.357 1.00 0.00 H new ATOM 0 HA HIS A 29 7.160 -9.701 -6.404 1.00 0.00 H new ATOM 0 HB2 HIS A 29 8.444 -7.106 -5.440 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.288 -8.479 -4.362 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.886 -7.830 -7.936 1.00 0.00 H new ATOM 0 HE1 HIS A 29 12.334 -10.489 -5.866 1.00 0.00 H new ATOM 0 HE2 HIS A 29 12.168 -9.189 -8.079 1.00 0.00 H new ATOM 457 N VAL A 30 5.354 -9.571 -4.629 1.00 0.00 N ATOM 458 CA VAL A 30 4.115 -9.539 -3.791 1.00 0.00 C ATOM 459 C VAL A 30 4.392 -9.088 -2.311 1.00 0.00 C ATOM 460 O VAL A 30 5.257 -9.615 -1.604 1.00 0.00 O ATOM 461 CB VAL A 30 3.354 -10.901 -3.951 1.00 0.00 C ATOM 462 CG1 VAL A 30 2.165 -11.091 -2.984 1.00 0.00 C ATOM 463 CG2 VAL A 30 2.762 -11.045 -5.372 1.00 0.00 C ATOM 0 H VAL A 30 5.800 -10.487 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 30 3.444 -8.760 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 30 4.118 -11.647 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.699 -12.059 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.522 -11.048 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.433 -10.300 -3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.240 -11.999 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.062 -10.231 -5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.566 -11.007 -6.107 1.00 0.00 H new ATOM 473 N VAL A 31 3.581 -8.122 -1.868 1.00 0.00 N ATOM 474 CA VAL A 31 3.649 -7.508 -0.502 1.00 0.00 C ATOM 475 C VAL A 31 2.275 -7.536 0.271 1.00 0.00 C ATOM 476 O VAL A 31 1.198 -7.745 -0.294 1.00 0.00 O ATOM 477 CB VAL A 31 4.175 -6.024 -0.566 1.00 0.00 C ATOM 478 CG1 VAL A 31 5.653 -5.853 -0.946 1.00 0.00 C ATOM 479 CG2 VAL A 31 3.325 -5.071 -1.427 1.00 0.00 C ATOM 0 H VAL A 31 2.839 -7.725 -2.445 1.00 0.00 H new ATOM 0 HA VAL A 31 4.352 -8.128 0.054 1.00 0.00 H new ATOM 0 HB VAL A 31 4.070 -5.735 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.905 -4.793 -0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.278 -6.365 -0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.826 -6.279 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.766 -4.074 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.295 -5.437 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.312 -5.027 -1.028 1.00 0.00 H new ATOM 489 N THR A 32 2.323 -7.246 1.581 1.00 0.00 N ATOM 490 CA THR A 32 1.115 -7.093 2.449 1.00 0.00 C ATOM 491 C THR A 32 0.922 -5.588 2.846 1.00 0.00 C ATOM 492 O THR A 32 1.810 -5.012 3.488 1.00 0.00 O ATOM 493 CB THR A 32 1.307 -8.004 3.709 1.00 0.00 C ATOM 494 OG1 THR A 32 1.125 -9.367 3.344 1.00 0.00 O ATOM 495 CG2 THR A 32 0.306 -7.736 4.851 1.00 0.00 C ATOM 0 H THR A 32 3.200 -7.108 2.083 1.00 0.00 H new ATOM 0 HA THR A 32 0.215 -7.401 1.917 1.00 0.00 H new ATOM 0 HB THR A 32 2.311 -7.778 4.067 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.247 -9.936 4.133 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.512 -8.411 5.682 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.406 -6.704 5.188 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.709 -7.903 4.492 1.00 0.00 H new ATOM 503 N ALA A 33 -0.242 -4.962 2.556 1.00 0.00 N ATOM 504 CA ALA A 33 -0.476 -3.552 2.974 1.00 0.00 C ATOM 505 C ALA A 33 -1.910 -3.112 3.390 1.00 0.00 C ATOM 506 O ALA A 33 -2.905 -3.621 2.893 1.00 0.00 O ATOM 507 CB ALA A 33 -0.081 -2.761 1.730 1.00 0.00 C ATOM 0 H ALA A 33 -1.016 -5.392 2.049 1.00 0.00 H new ATOM 0 HA ALA A 33 0.085 -3.390 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.213 -1.696 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.963 -2.960 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.711 -3.061 0.893 1.00 0.00 H new ATOM 513 N HIS A 34 -2.014 -2.106 4.264 1.00 0.00 N ATOM 514 CA HIS A 34 -3.298 -1.384 4.548 1.00 0.00 C ATOM 515 C HIS A 34 -3.322 -0.036 3.770 1.00 0.00 C ATOM 516 O HIS A 34 -2.315 0.408 3.221 1.00 0.00 O ATOM 517 CB HIS A 34 -3.543 -1.071 6.068 1.00 0.00 C ATOM 518 CG HIS A 34 -2.358 -0.933 7.026 1.00 0.00 C ATOM 519 ND1 HIS A 34 -1.906 -1.974 7.822 1.00 0.00 N ATOM 520 CD2 HIS A 34 -1.568 0.214 7.210 1.00 0.00 C ATOM 521 CE1 HIS A 34 -0.842 -1.351 8.419 1.00 0.00 C ATOM 522 NE2 HIS A 34 -0.562 -0.043 8.123 1.00 0.00 N ATOM 0 H HIS A 34 -1.222 -1.756 4.803 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.090 -2.060 4.226 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.110 -0.141 6.119 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.186 -1.859 6.461 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.724 1.159 6.711 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -0.225 -1.890 9.122 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.176 0.566 8.475 1.00 0.00 H new ATOM 530 N ILE A 35 -4.461 0.667 3.728 1.00 0.00 N ATOM 531 CA ILE A 35 -4.453 2.083 3.314 1.00 0.00 C ATOM 532 C ILE A 35 -3.916 3.016 4.486 1.00 0.00 C ATOM 533 O ILE A 35 -3.475 2.567 5.552 1.00 0.00 O ATOM 534 CB ILE A 35 -5.851 2.486 2.762 1.00 0.00 C ATOM 535 CG1 ILE A 35 -7.085 2.402 3.693 1.00 0.00 C ATOM 536 CG2 ILE A 35 -6.232 1.973 1.358 1.00 0.00 C ATOM 537 CD1 ILE A 35 -8.101 3.486 3.291 1.00 0.00 C ATOM 0 H ILE A 35 -5.380 0.294 3.968 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.751 2.225 2.493 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.612 3.547 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.542 1.415 3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.782 2.539 4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.230 2.328 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.514 2.345 0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.222 0.883 1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.971 3.429 3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.640 4.469 3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.412 3.328 2.258 1.00 0.00 H new ATOM 549 N SER A 36 -3.905 4.336 4.269 1.00 0.00 N ATOM 550 CA SER A 36 -3.496 5.335 5.274 1.00 0.00 C ATOM 551 C SER A 36 -4.740 5.994 5.934 1.00 0.00 C ATOM 552 O SER A 36 -5.750 6.246 5.266 1.00 0.00 O ATOM 553 CB SER A 36 -2.616 6.362 4.531 1.00 0.00 C ATOM 554 OG SER A 36 -3.216 6.948 3.378 1.00 0.00 O ATOM 0 H SER A 36 -4.183 4.750 3.379 1.00 0.00 H new ATOM 0 HA SER A 36 -2.935 4.879 6.090 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.347 7.157 5.226 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.689 5.874 4.231 1.00 0.00 H new ATOM 0 HG SER A 36 -2.970 6.431 2.583 1.00 0.00 H new ATOM 560 N GLY A 37 -4.661 6.318 7.244 1.00 0.00 N ATOM 561 CA GLY A 37 -5.741 7.110 7.937 1.00 0.00 C ATOM 562 C GLY A 37 -6.219 8.444 7.286 1.00 0.00 C ATOM 563 O GLY A 37 -7.338 8.897 7.514 1.00 0.00 O ATOM 0 H GLY A 37 -3.881 6.056 7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.611 6.462 8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.390 7.339 8.943 1.00 0.00 H new ATOM 567 N LYS A 38 -5.351 9.032 6.458 1.00 0.00 N ATOM 568 CA LYS A 38 -5.605 10.229 5.635 1.00 0.00 C ATOM 569 C LYS A 38 -6.705 10.051 4.546 1.00 0.00 C ATOM 570 O LYS A 38 -7.673 10.814 4.498 1.00 0.00 O ATOM 571 CB LYS A 38 -4.236 10.654 5.065 1.00 0.00 C ATOM 572 CG LYS A 38 -3.070 10.817 6.067 1.00 0.00 C ATOM 573 CD LYS A 38 -3.303 11.687 7.324 1.00 0.00 C ATOM 574 CE LYS A 38 -3.572 13.169 7.017 1.00 0.00 C ATOM 575 NZ LYS A 38 -3.746 13.907 8.284 1.00 0.00 N ATOM 0 H LYS A 38 -4.405 8.673 6.334 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.034 11.017 6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.938 9.918 4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.367 11.602 4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.776 9.822 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.221 11.235 5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.148 11.283 7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.429 11.613 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.743 13.591 6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.465 13.268 6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.928 14.910 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.550 13.509 8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.882 13.822 8.857 1.00 0.00 H new ATOM 588 N MET A 39 -6.540 9.047 3.671 1.00 0.00 N ATOM 589 CA MET A 39 -7.590 8.660 2.695 1.00 0.00 C ATOM 590 C MET A 39 -8.810 7.905 3.281 1.00 0.00 C ATOM 591 O MET A 39 -9.902 8.171 2.783 1.00 0.00 O ATOM 592 CB MET A 39 -7.063 7.896 1.465 1.00 0.00 C ATOM 593 CG MET A 39 -5.969 6.860 1.602 1.00 0.00 C ATOM 594 SD MET A 39 -5.679 5.959 0.069 1.00 0.00 S ATOM 595 CE MET A 39 -4.833 7.212 -0.917 1.00 0.00 C ATOM 0 H MET A 39 -5.692 8.484 3.613 1.00 0.00 H new ATOM 0 HA MET A 39 -7.945 9.639 2.374 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.918 7.399 1.007 1.00 0.00 H new ATOM 0 HB3 MET A 39 -6.709 8.642 0.753 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.046 7.349 1.913 1.00 0.00 H new ATOM 0 HG3 MET A 39 -6.237 6.155 2.389 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.464 6.762 -1.838 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.529 8.015 -1.159 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.995 7.617 -0.350 1.00 0.00 H new ATOM 605 N ARG A 40 -8.666 7.023 4.289 1.00 0.00 N ATOM 606 CA ARG A 40 -9.805 6.314 4.945 1.00 0.00 C ATOM 607 C ARG A 40 -11.142 7.120 5.153 1.00 0.00 C ATOM 608 O ARG A 40 -12.236 6.578 4.993 1.00 0.00 O ATOM 609 CB ARG A 40 -9.275 5.874 6.349 1.00 0.00 C ATOM 610 CG ARG A 40 -8.509 4.538 6.434 1.00 0.00 C ATOM 611 CD ARG A 40 -8.353 3.971 7.859 1.00 0.00 C ATOM 612 NE ARG A 40 -7.831 2.578 7.814 1.00 0.00 N ATOM 613 CZ ARG A 40 -6.555 2.216 7.768 1.00 0.00 C ATOM 614 NH1 ARG A 40 -5.561 3.046 7.745 1.00 0.00 N ATOM 615 NH2 ARG A 40 -6.297 0.958 7.734 1.00 0.00 N ATOM 0 H ARG A 40 -7.757 6.775 4.680 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.094 5.508 4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.621 6.661 6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.126 5.817 7.027 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.024 3.800 5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.518 4.676 6.003 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.675 4.601 8.435 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.315 3.988 8.370 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.522 1.828 7.819 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.735 4.051 7.762 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.604 2.695 7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.060 0.281 7.743 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.330 0.637 7.698 1.00 0.00 H new ATOM 628 N LYS A 41 -11.015 8.395 5.551 1.00 0.00 N ATOM 629 CA LYS A 41 -12.168 9.324 5.753 1.00 0.00 C ATOM 630 C LYS A 41 -12.620 10.255 4.572 1.00 0.00 C ATOM 631 O LYS A 41 -13.591 11.006 4.682 1.00 0.00 O ATOM 632 CB LYS A 41 -11.845 10.084 7.072 1.00 0.00 C ATOM 633 CG LYS A 41 -12.397 9.461 8.376 1.00 0.00 C ATOM 634 CD LYS A 41 -11.758 8.109 8.754 1.00 0.00 C ATOM 635 CE LYS A 41 -12.274 7.574 10.093 1.00 0.00 C ATOM 636 NZ LYS A 41 -11.656 6.261 10.367 1.00 0.00 N ATOM 0 H LYS A 41 -10.111 8.825 5.746 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.075 8.721 5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.762 10.165 7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.234 11.098 6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.242 10.164 9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.473 9.324 8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.965 7.380 7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.675 8.223 8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.036 8.275 10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.359 7.479 10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.005 5.896 11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.905 5.595 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.622 6.366 10.410 1.00 0.00 H new ATOM 649 N ASN A 42 -11.910 10.171 3.456 1.00 0.00 N ATOM 650 CA ASN A 42 -12.287 10.780 2.153 1.00 0.00 C ATOM 651 C ASN A 42 -13.039 9.663 1.348 1.00 0.00 C ATOM 652 O ASN A 42 -14.255 9.716 1.159 1.00 0.00 O ATOM 653 CB ASN A 42 -10.976 11.363 1.548 1.00 0.00 C ATOM 654 CG ASN A 42 -11.107 12.106 0.233 1.00 0.00 C ATOM 655 OD1 ASN A 42 -12.167 12.461 -0.262 1.00 0.00 O ATOM 656 ND2 ASN A 42 -9.989 12.402 -0.367 1.00 0.00 N ATOM 0 H ASN A 42 -11.025 9.665 3.413 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.980 11.621 2.181 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.535 12.040 2.279 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.272 10.543 1.407 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.003 12.926 -1.242 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.100 12.110 0.038 1.00 0.00 H new ATOM 663 N TYR A 43 -12.299 8.627 0.938 1.00 0.00 N ATOM 664 CA TYR A 43 -12.817 7.394 0.354 1.00 0.00 C ATOM 665 C TYR A 43 -12.378 6.203 1.283 1.00 0.00 C ATOM 666 O TYR A 43 -11.192 6.044 1.593 1.00 0.00 O ATOM 667 CB TYR A 43 -12.268 7.369 -1.105 1.00 0.00 C ATOM 668 CG TYR A 43 -10.906 6.710 -1.415 1.00 0.00 C ATOM 669 CD1 TYR A 43 -10.803 5.316 -1.370 1.00 0.00 C ATOM 670 CD2 TYR A 43 -9.768 7.470 -1.703 1.00 0.00 C ATOM 671 CE1 TYR A 43 -9.576 4.691 -1.543 1.00 0.00 C ATOM 672 CE2 TYR A 43 -8.546 6.835 -1.937 1.00 0.00 C ATOM 673 CZ TYR A 43 -8.453 5.448 -1.856 1.00 0.00 C ATOM 674 OH TYR A 43 -7.267 4.813 -2.105 1.00 0.00 O ATOM 0 H TYR A 43 -11.281 8.629 1.009 1.00 0.00 H new ATOM 0 HA TYR A 43 -13.902 7.315 0.293 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -13.015 6.870 -1.722 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.211 8.403 -1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.687 4.720 -1.199 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.834 8.547 -1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.494 3.620 -1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.672 7.421 -2.181 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.731 4.789 -1.285 1.00 0.00 H new ATOM 684 N ILE A 44 -13.297 5.309 1.670 1.00 0.00 N ATOM 685 CA ILE A 44 -12.901 4.091 2.447 1.00 0.00 C ATOM 686 C ILE A 44 -12.169 3.040 1.525 1.00 0.00 C ATOM 687 O ILE A 44 -10.977 2.788 1.707 1.00 0.00 O ATOM 688 CB ILE A 44 -14.101 3.513 3.274 1.00 0.00 C ATOM 689 CG1 ILE A 44 -14.914 4.567 4.089 1.00 0.00 C ATOM 690 CG2 ILE A 44 -13.642 2.351 4.201 1.00 0.00 C ATOM 691 CD1 ILE A 44 -16.166 4.063 4.833 1.00 0.00 C ATOM 0 H ILE A 44 -14.295 5.386 1.473 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.164 4.380 3.196 1.00 0.00 H new ATOM 0 HB ILE A 44 -14.790 3.134 2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.244 5.019 4.821 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -15.222 5.359 3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -14.497 1.972 4.761 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -13.220 1.548 3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -12.887 2.717 4.897 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -16.637 4.894 5.358 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -16.870 3.641 4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.878 3.296 5.552 1.00 0.00 H new ATOM 703 N ARG A 45 -12.869 2.462 0.535 1.00 0.00 N ATOM 704 CA ARG A 45 -12.355 1.366 -0.323 1.00 0.00 C ATOM 705 C ARG A 45 -11.920 1.638 -1.804 1.00 0.00 C ATOM 706 O ARG A 45 -12.235 2.613 -2.484 1.00 0.00 O ATOM 707 CB ARG A 45 -13.390 0.203 -0.280 1.00 0.00 C ATOM 708 CG ARG A 45 -14.845 0.522 -0.708 1.00 0.00 C ATOM 709 CD ARG A 45 -15.764 -0.704 -0.632 1.00 0.00 C ATOM 710 NE ARG A 45 -17.128 -0.288 -1.045 1.00 0.00 N ATOM 711 CZ ARG A 45 -18.191 -1.078 -1.098 1.00 0.00 C ATOM 712 NH1 ARG A 45 -18.184 -2.341 -0.790 1.00 0.00 N ATOM 713 NH2 ARG A 45 -19.299 -0.550 -1.480 1.00 0.00 N ATOM 0 H ARG A 45 -13.821 2.742 0.300 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.386 1.147 0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.020 -0.600 -0.918 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.417 -0.186 0.738 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.243 1.310 -0.069 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.844 0.908 -1.727 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.395 -1.497 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.779 -1.105 0.381 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.258 0.688 -1.310 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.319 -2.786 -0.483 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.043 -2.887 -0.855 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -19.334 0.439 -1.727 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -20.143 -1.120 -1.536 1.00 0.00 H new ATOM 726 N ILE A 46 -11.198 0.614 -2.251 1.00 0.00 N ATOM 727 CA ILE A 46 -10.700 0.410 -3.646 1.00 0.00 C ATOM 728 C ILE A 46 -10.980 -1.069 -4.090 1.00 0.00 C ATOM 729 O ILE A 46 -11.412 -1.921 -3.305 1.00 0.00 O ATOM 730 CB ILE A 46 -9.254 0.951 -3.888 1.00 0.00 C ATOM 731 CG1 ILE A 46 -8.237 0.813 -2.726 1.00 0.00 C ATOM 732 CG2 ILE A 46 -9.267 2.414 -4.339 1.00 0.00 C ATOM 733 CD1 ILE A 46 -7.034 0.049 -3.228 1.00 0.00 C ATOM 0 H ILE A 46 -10.919 -0.147 -1.632 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.269 1.042 -4.327 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.897 0.282 -4.671 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.937 1.797 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.692 0.291 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.244 2.755 -4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.827 2.503 -5.270 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.739 3.027 -3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.308 -0.057 -2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.346 -0.939 -3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.579 0.591 -4.057 1.00 0.00 H new ATOM 745 N LEU A 47 -10.810 -1.353 -5.392 1.00 0.00 N ATOM 746 CA LEU A 47 -11.213 -2.657 -5.994 1.00 0.00 C ATOM 747 C LEU A 47 -10.017 -3.636 -6.196 1.00 0.00 C ATOM 748 O LEU A 47 -8.839 -3.259 -6.170 1.00 0.00 O ATOM 749 CB LEU A 47 -11.984 -2.366 -7.325 1.00 0.00 C ATOM 750 CG LEU A 47 -13.501 -2.053 -7.220 1.00 0.00 C ATOM 751 CD1 LEU A 47 -13.801 -0.668 -6.621 1.00 0.00 C ATOM 752 CD2 LEU A 47 -14.153 -2.130 -8.611 1.00 0.00 C ATOM 0 H LEU A 47 -10.396 -0.701 -6.059 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.871 -3.178 -5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.500 -1.522 -7.817 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -11.863 -3.229 -7.980 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.915 -2.803 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.880 -0.516 -6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.385 -0.609 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.351 0.104 -7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.217 -1.909 -8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.683 -1.404 -9.274 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.022 -3.132 -9.019 1.00 0.00 H new ATOM 764 N THR A 48 -10.343 -4.922 -6.409 1.00 0.00 N ATOM 765 CA THR A 48 -9.337 -5.997 -6.659 1.00 0.00 C ATOM 766 C THR A 48 -8.716 -5.861 -8.090 1.00 0.00 C ATOM 767 O THR A 48 -9.202 -6.389 -9.093 1.00 0.00 O ATOM 768 CB THR A 48 -9.977 -7.375 -6.363 1.00 0.00 C ATOM 769 OG1 THR A 48 -10.697 -7.421 -5.130 1.00 0.00 O ATOM 770 CG2 THR A 48 -8.976 -8.529 -6.316 1.00 0.00 C ATOM 0 H THR A 48 -11.306 -5.257 -6.415 1.00 0.00 H new ATOM 0 HA THR A 48 -8.491 -5.895 -5.979 1.00 0.00 H new ATOM 0 HB THR A 48 -10.655 -7.499 -7.207 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.076 -8.316 -5.006 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.503 -9.459 -6.104 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.469 -8.610 -7.278 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.241 -8.342 -5.533 1.00 0.00 H new ATOM 778 N GLY A 49 -7.632 -5.091 -8.124 1.00 0.00 N ATOM 779 CA GLY A 49 -6.909 -4.707 -9.368 1.00 0.00 C ATOM 780 C GLY A 49 -6.777 -3.195 -9.657 1.00 0.00 C ATOM 781 O GLY A 49 -6.569 -2.795 -10.803 1.00 0.00 O ATOM 0 H GLY A 49 -7.211 -4.701 -7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.907 -5.133 -9.324 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.416 -5.172 -10.213 1.00 0.00 H new ATOM 785 N ASP A 50 -6.848 -2.361 -8.613 1.00 0.00 N ATOM 786 CA ASP A 50 -6.699 -0.897 -8.713 1.00 0.00 C ATOM 787 C ASP A 50 -5.225 -0.438 -8.495 1.00 0.00 C ATOM 788 O ASP A 50 -4.416 -1.090 -7.826 1.00 0.00 O ATOM 789 CB ASP A 50 -7.694 -0.242 -7.745 1.00 0.00 C ATOM 790 CG ASP A 50 -9.137 0.017 -8.178 1.00 0.00 C ATOM 791 OD1 ASP A 50 -9.928 0.639 -7.480 1.00 0.00 O ATOM 792 OD2 ASP A 50 -9.457 -0.498 -9.396 1.00 0.00 O ATOM 0 H ASP A 50 -7.013 -2.685 -7.660 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.936 -0.569 -9.725 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -7.732 -0.865 -6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.270 0.717 -7.447 1.00 0.00 H new ATOM 798 N LYS A 51 -4.913 0.744 -9.030 1.00 0.00 N ATOM 799 CA LYS A 51 -3.524 1.274 -9.055 1.00 0.00 C ATOM 800 C LYS A 51 -3.132 2.052 -7.775 1.00 0.00 C ATOM 801 O LYS A 51 -3.319 3.255 -7.577 1.00 0.00 O ATOM 802 CB LYS A 51 -3.282 2.054 -10.357 1.00 0.00 C ATOM 803 CG LYS A 51 -3.728 1.321 -11.637 1.00 0.00 C ATOM 804 CD LYS A 51 -3.380 -0.175 -11.793 1.00 0.00 C ATOM 805 CE LYS A 51 -3.198 -0.612 -13.252 1.00 0.00 C ATOM 806 NZ LYS A 51 -3.009 -2.074 -13.302 1.00 0.00 N ATOM 0 H LYS A 51 -5.600 1.365 -9.458 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.843 0.423 -9.050 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.809 3.007 -10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.219 2.282 -10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.811 1.418 -11.714 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.299 1.851 -12.488 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.464 -0.386 -11.242 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.170 -0.773 -11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.069 -0.326 -13.841 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.337 -0.107 -13.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.543 -2.333 -14.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.416 -2.375 -12.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.934 -2.546 -13.244 1.00 0.00 H new ATOM 819 N VAL A 52 -2.578 1.230 -6.912 1.00 0.00 N ATOM 820 CA VAL A 52 -2.061 1.606 -5.582 1.00 0.00 C ATOM 821 C VAL A 52 -0.521 1.946 -5.635 1.00 0.00 C ATOM 822 O VAL A 52 0.253 1.459 -6.455 1.00 0.00 O ATOM 823 CB VAL A 52 -2.409 0.460 -4.561 1.00 0.00 C ATOM 824 CG1 VAL A 52 -3.890 0.262 -4.202 1.00 0.00 C ATOM 825 CG2 VAL A 52 -1.971 -0.958 -4.923 1.00 0.00 C ATOM 0 H VAL A 52 -2.463 0.236 -7.110 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.544 2.522 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.832 0.876 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.985 -0.558 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.282 1.176 -3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.455 0.028 -5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.274 -1.645 -4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.439 -1.255 -5.862 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.887 -0.987 -5.033 1.00 0.00 H new ATOM 835 N THR A 53 -0.064 2.820 -4.738 1.00 0.00 N ATOM 836 CA THR A 53 1.388 3.162 -4.554 1.00 0.00 C ATOM 837 C THR A 53 1.439 3.343 -3.005 1.00 0.00 C ATOM 838 O THR A 53 0.838 4.222 -2.376 1.00 0.00 O ATOM 839 CB THR A 53 1.847 4.402 -5.364 1.00 0.00 C ATOM 840 OG1 THR A 53 1.820 4.085 -6.751 1.00 0.00 O ATOM 841 CG2 THR A 53 3.289 4.849 -5.062 1.00 0.00 C ATOM 0 H THR A 53 -0.679 3.327 -4.102 1.00 0.00 H new ATOM 0 HA THR A 53 2.082 2.412 -4.933 1.00 0.00 H new ATOM 0 HB THR A 53 1.165 5.205 -5.083 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.444 3.189 -6.874 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.534 5.721 -5.668 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.377 5.104 -4.006 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.978 4.038 -5.298 1.00 0.00 H new ATOM 849 N VAL A 54 2.149 2.399 -2.418 1.00 0.00 N ATOM 850 CA VAL A 54 1.990 1.997 -0.994 1.00 0.00 C ATOM 851 C VAL A 54 3.346 2.227 -0.306 1.00 0.00 C ATOM 852 O VAL A 54 4.381 1.772 -0.807 1.00 0.00 O ATOM 853 CB VAL A 54 1.425 0.521 -1.084 1.00 0.00 C ATOM 854 CG1 VAL A 54 1.160 -0.353 0.121 1.00 0.00 C ATOM 855 CG2 VAL A 54 0.193 0.351 -2.005 1.00 0.00 C ATOM 0 H VAL A 54 2.870 1.868 -2.907 1.00 0.00 H new ATOM 0 HA VAL A 54 1.295 2.561 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 54 2.368 0.146 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.775 -1.319 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.087 -0.501 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.426 0.130 0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.122 -0.693 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.622 0.977 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.454 0.649 -3.020 1.00 0.00 H new ATOM 865 N GLU A 55 3.370 2.997 0.797 1.00 0.00 N ATOM 866 CA GLU A 55 4.659 3.360 1.432 1.00 0.00 C ATOM 867 C GLU A 55 5.218 2.185 2.269 1.00 0.00 C ATOM 868 O GLU A 55 4.595 1.716 3.221 1.00 0.00 O ATOM 869 CB GLU A 55 4.500 4.616 2.319 1.00 0.00 C ATOM 870 CG GLU A 55 5.778 5.457 2.555 1.00 0.00 C ATOM 871 CD GLU A 55 5.586 6.641 3.495 1.00 0.00 C ATOM 872 OE1 GLU A 55 5.067 7.700 3.160 1.00 0.00 O ATOM 873 OE2 GLU A 55 6.068 6.402 4.744 1.00 0.00 O ATOM 0 H GLU A 55 2.542 3.372 1.259 1.00 0.00 H new ATOM 0 HA GLU A 55 5.369 3.583 0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.745 5.260 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.113 4.303 3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.555 4.809 2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.139 5.825 1.595 1.00 0.00 H new ATOM 881 N LEU A 56 6.405 1.757 1.893 1.00 0.00 N ATOM 882 CA LEU A 56 7.060 0.579 2.506 1.00 0.00 C ATOM 883 C LEU A 56 8.189 1.066 3.442 1.00 0.00 C ATOM 884 O LEU A 56 7.959 1.851 4.369 1.00 0.00 O ATOM 885 CB LEU A 56 7.382 -0.518 1.432 1.00 0.00 C ATOM 886 CG LEU A 56 7.847 -0.134 0.019 1.00 0.00 C ATOM 887 CD1 LEU A 56 8.931 0.933 -0.133 1.00 0.00 C ATOM 888 CD2 LEU A 56 8.162 -1.386 -0.812 1.00 0.00 C ATOM 0 H LEU A 56 6.956 2.201 1.158 1.00 0.00 H new ATOM 0 HA LEU A 56 6.396 0.025 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.151 -1.163 1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.484 -1.125 1.318 1.00 0.00 H new ATOM 0 HG LEU A 56 6.977 0.389 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.144 1.087 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.585 1.868 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.838 0.606 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.489 -1.089 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.953 -1.956 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.267 -2.003 -0.893 1.00 0.00 H new ATOM 900 N THR A 57 9.407 0.606 3.191 1.00 0.00 N ATOM 901 CA THR A 57 10.563 0.914 4.043 1.00 0.00 C ATOM 902 C THR A 57 11.940 0.733 3.282 1.00 0.00 C ATOM 903 O THR A 57 12.005 0.104 2.221 1.00 0.00 O ATOM 904 CB THR A 57 10.558 0.075 5.372 1.00 0.00 C ATOM 905 OG1 THR A 57 9.550 -0.932 5.466 1.00 0.00 O ATOM 906 CG2 THR A 57 10.437 0.828 6.693 1.00 0.00 C ATOM 0 H THR A 57 9.628 0.009 2.394 1.00 0.00 H new ATOM 0 HA THR A 57 10.466 1.967 4.307 1.00 0.00 H new ATOM 0 HB THR A 57 11.561 -0.338 5.261 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.645 -1.560 4.720 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.448 0.117 7.519 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.275 1.518 6.797 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.502 1.388 6.708 1.00 0.00 H new ATOM 914 N PRO A 58 13.085 1.193 3.861 1.00 0.00 N ATOM 915 CA PRO A 58 14.451 0.994 3.312 1.00 0.00 C ATOM 916 C PRO A 58 15.049 -0.437 3.315 1.00 0.00 C ATOM 917 O PRO A 58 15.638 -0.928 2.353 1.00 0.00 O ATOM 918 CB PRO A 58 15.268 1.864 4.263 1.00 0.00 C ATOM 919 CG PRO A 58 14.324 3.007 4.556 1.00 0.00 C ATOM 920 CD PRO A 58 13.121 2.160 4.959 1.00 0.00 C ATOM 0 HA PRO A 58 14.449 1.228 2.247 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.545 1.325 5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.193 2.210 3.802 1.00 0.00 H new ATOM 0 HG2 PRO A 58 14.676 3.660 5.355 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.133 3.639 3.689 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.260 1.680 5.928 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.205 2.747 5.022 1.00 0.00 H new ATOM 928 N TYR A 59 14.929 -1.019 4.504 1.00 0.00 N ATOM 929 CA TYR A 59 15.405 -2.396 4.817 1.00 0.00 C ATOM 930 C TYR A 59 14.279 -3.472 4.706 1.00 0.00 C ATOM 931 O TYR A 59 14.502 -4.627 4.343 1.00 0.00 O ATOM 932 CB TYR A 59 15.943 -2.319 6.278 1.00 0.00 C ATOM 933 CG TYR A 59 16.990 -3.383 6.629 1.00 0.00 C ATOM 934 CD1 TYR A 59 18.341 -3.149 6.354 1.00 0.00 C ATOM 935 CD2 TYR A 59 16.610 -4.583 7.238 1.00 0.00 C ATOM 936 CE1 TYR A 59 19.300 -4.105 6.685 1.00 0.00 C ATOM 937 CE2 TYR A 59 17.571 -5.538 7.566 1.00 0.00 C ATOM 938 CZ TYR A 59 18.914 -5.296 7.290 1.00 0.00 C ATOM 939 OH TYR A 59 19.860 -6.230 7.611 1.00 0.00 O ATOM 0 H TYR A 59 14.494 -0.555 5.301 1.00 0.00 H new ATOM 0 HA TYR A 59 16.165 -2.707 4.100 1.00 0.00 H new ATOM 0 HB2 TYR A 59 16.378 -1.333 6.440 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.103 -2.414 6.966 1.00 0.00 H new ATOM 0 HD1 TYR A 59 18.642 -2.225 5.884 1.00 0.00 H new ATOM 0 HD2 TYR A 59 15.569 -4.771 7.455 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.343 -3.921 6.472 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.274 -6.465 8.034 1.00 0.00 H new ATOM 0 HH TYR A 59 19.427 -7.004 8.028 1.00 0.00 H new ATOM 949 N ASP A 60 13.068 -3.037 5.065 1.00 0.00 N ATOM 950 CA ASP A 60 11.874 -3.917 5.165 1.00 0.00 C ATOM 951 C ASP A 60 10.891 -3.753 3.957 1.00 0.00 C ATOM 952 O ASP A 60 9.873 -3.061 4.023 1.00 0.00 O ATOM 953 CB ASP A 60 11.314 -3.619 6.577 1.00 0.00 C ATOM 954 CG ASP A 60 10.353 -4.686 7.088 1.00 0.00 C ATOM 955 OD1 ASP A 60 10.720 -5.744 7.586 1.00 0.00 O ATOM 956 OD2 ASP A 60 9.049 -4.346 6.911 1.00 0.00 O ATOM 0 H ASP A 60 12.875 -2.063 5.298 1.00 0.00 H new ATOM 0 HA ASP A 60 12.097 -4.980 5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.145 -3.525 7.276 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.801 -2.657 6.560 1.00 0.00 H new ATOM 962 N LEU A 61 11.219 -4.424 2.847 1.00 0.00 N ATOM 963 CA LEU A 61 10.438 -4.326 1.578 1.00 0.00 C ATOM 964 C LEU A 61 9.176 -5.229 1.399 1.00 0.00 C ATOM 965 O LEU A 61 8.341 -4.897 0.555 1.00 0.00 O ATOM 966 CB LEU A 61 11.421 -4.509 0.373 1.00 0.00 C ATOM 967 CG LEU A 61 12.447 -3.405 -0.009 1.00 0.00 C ATOM 968 CD1 LEU A 61 11.792 -2.120 -0.533 1.00 0.00 C ATOM 969 CD2 LEU A 61 13.429 -3.039 1.109 1.00 0.00 C ATOM 0 H LEU A 61 12.023 -5.049 2.788 1.00 0.00 H new ATOM 0 HA LEU A 61 9.990 -3.333 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.990 -5.419 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.810 -4.694 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 61 13.014 -3.871 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.565 -1.392 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.208 -2.347 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.137 -1.707 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.108 -2.262 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.876 -2.673 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 61 14.003 -3.921 1.393 1.00 0.00 H new ATOM 981 N SER A 62 8.995 -6.331 2.145 1.00 0.00 N ATOM 982 CA SER A 62 7.786 -7.198 2.037 1.00 0.00 C ATOM 983 C SER A 62 6.387 -6.597 2.463 1.00 0.00 C ATOM 984 O SER A 62 5.359 -7.256 2.277 1.00 0.00 O ATOM 985 CB SER A 62 8.138 -8.465 2.853 1.00 0.00 C ATOM 986 OG SER A 62 9.235 -9.195 2.294 1.00 0.00 O ATOM 0 H SER A 62 9.670 -6.653 2.838 1.00 0.00 H new ATOM 0 HA SER A 62 7.599 -7.372 0.977 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.382 -8.177 3.876 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.264 -9.114 2.904 1.00 0.00 H new ATOM 0 HG SER A 62 9.418 -9.984 2.846 1.00 0.00 H new ATOM 992 N LYS A 63 6.327 -5.379 3.029 1.00 0.00 N ATOM 993 CA LYS A 63 5.109 -4.721 3.524 1.00 0.00 C ATOM 994 C LYS A 63 5.090 -3.181 3.287 1.00 0.00 C ATOM 995 O LYS A 63 6.126 -2.523 3.196 1.00 0.00 O ATOM 996 CB LYS A 63 5.091 -4.921 5.063 1.00 0.00 C ATOM 997 CG LYS A 63 4.691 -6.327 5.535 1.00 0.00 C ATOM 998 CD LYS A 63 5.763 -7.402 5.781 1.00 0.00 C ATOM 999 CE LYS A 63 7.142 -6.979 6.326 1.00 0.00 C ATOM 1000 NZ LYS A 63 7.030 -6.403 7.681 1.00 0.00 N ATOM 0 H LYS A 63 7.160 -4.805 3.158 1.00 0.00 H new ATOM 0 HA LYS A 63 4.261 -5.155 2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.082 -4.692 5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.401 -4.199 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.135 -6.208 6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.996 -6.728 4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.344 -8.129 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.929 -7.922 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.807 -7.843 6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.592 -6.248 5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.657 -5.577 7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.047 -6.109 7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.307 -7.116 8.385 1.00 0.00 H new ATOM 1013 N GLY A 64 3.884 -2.606 3.329 1.00 0.00 N ATOM 1014 CA GLY A 64 3.702 -1.130 3.266 1.00 0.00 C ATOM 1015 C GLY A 64 2.277 -0.600 3.520 1.00 0.00 C ATOM 1016 O GLY A 64 1.449 -1.273 4.137 1.00 0.00 O ATOM 0 H GLY A 64 3.012 -3.130 3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.371 -0.673 3.995 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.022 -0.789 2.282 1.00 0.00 H new ATOM 1020 N ARG A 65 1.983 0.634 3.064 1.00 0.00 N ATOM 1021 CA ARG A 65 0.623 1.237 3.216 1.00 0.00 C ATOM 1022 C ARG A 65 0.240 2.389 2.196 1.00 0.00 C ATOM 1023 O ARG A 65 0.934 3.403 2.155 1.00 0.00 O ATOM 1024 CB ARG A 65 0.440 1.723 4.680 1.00 0.00 C ATOM 1025 CG ARG A 65 1.365 2.829 5.259 1.00 0.00 C ATOM 1026 CD ARG A 65 0.694 4.199 5.424 1.00 0.00 C ATOM 1027 NE ARG A 65 1.702 5.121 6.008 1.00 0.00 N ATOM 1028 CZ ARG A 65 1.475 6.348 6.451 1.00 0.00 C ATOM 1029 NH1 ARG A 65 0.316 6.932 6.434 1.00 0.00 N ATOM 1030 NH2 ARG A 65 2.476 6.996 6.929 1.00 0.00 N ATOM 0 H ARG A 65 2.656 1.236 2.590 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.071 0.434 2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -0.586 2.077 4.777 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.538 0.850 5.325 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.737 2.502 6.230 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.231 2.939 4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.344 4.573 4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.178 4.123 6.073 1.00 0.00 H new ATOM 0 HE ARG A 65 2.660 4.776 6.074 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.497 6.441 6.061 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.218 7.881 6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.399 6.562 6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.348 7.944 7.282 1.00 0.00 H new ATOM 1043 N ILE A 66 -0.801 2.246 1.335 1.00 0.00 N ATOM 1044 CA ILE A 66 -1.326 3.317 0.400 1.00 0.00 C ATOM 1045 C ILE A 66 -1.370 4.792 0.950 1.00 0.00 C ATOM 1046 O ILE A 66 -2.327 5.232 1.595 1.00 0.00 O ATOM 1047 CB ILE A 66 -2.749 3.008 -0.242 1.00 0.00 C ATOM 1048 CG1 ILE A 66 -3.026 1.650 -0.934 1.00 0.00 C ATOM 1049 CG2 ILE A 66 -3.157 4.036 -1.347 1.00 0.00 C ATOM 1050 CD1 ILE A 66 -2.649 0.371 -0.193 1.00 0.00 C ATOM 0 H ILE A 66 -1.320 1.371 1.258 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.547 3.269 -0.361 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.314 3.039 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.092 1.602 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.499 1.649 -1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.136 3.772 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.199 5.036 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.421 4.018 -2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.904 -0.493 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.578 0.369 0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.195 0.322 0.749 1.00 0.00 H new ATOM 1062 N VAL A 67 -0.336 5.554 0.604 1.00 0.00 N ATOM 1063 CA VAL A 67 -0.254 7.014 0.846 1.00 0.00 C ATOM 1064 C VAL A 67 -0.695 7.854 -0.403 1.00 0.00 C ATOM 1065 O VAL A 67 -1.472 8.800 -0.263 1.00 0.00 O ATOM 1066 CB VAL A 67 1.166 7.397 1.367 1.00 0.00 C ATOM 1067 CG1 VAL A 67 1.464 6.906 2.797 1.00 0.00 C ATOM 1068 CG2 VAL A 67 2.373 7.092 0.452 1.00 0.00 C ATOM 0 H VAL A 67 0.490 5.179 0.138 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.970 7.269 1.627 1.00 0.00 H new ATOM 0 HB VAL A 67 1.074 8.483 1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.470 7.212 3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.741 7.339 3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.392 5.819 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.292 7.412 0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.420 6.021 0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.260 7.628 -0.490 1.00 0.00 H new