USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 508 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 20 SER OG : rot -80:sc= 0.703 USER MOD Set 1.2: A 64 MET CE :methyl -129:sc= 0 (180deg=-0.0263) USER MOD Set 2.1: A 53 SER OG : rot 180:sc= 0.881 USER MOD Set 2.2: A 56 THR OG1 : rot 77:sc= 0.847 USER MOD Set 3.1: A 37 SER OG : rot 113:sc= 0.764 USER MOD Set 3.2: A 40 ASN : amide:sc= 0.665 X(o=1.4,f=1.2) USER MOD Set 4.1: A 28 LYS NZ :NH3+ -122:sc= -0.0367 (180deg=-1.15) USER MOD Set 4.2: A 52 THR OG1 : rot -91:sc= 0.0212 USER MOD Set 5.1: A 14 CYS SG : rot 180:sc= -0.02 USER MOD Set 5.2: A 16 SER OG : rot 97:sc= 0.0624 USER MOD Single : A 2 THR OG1 : rot 33:sc= 0.53 USER MOD Single : A 3 GLN : amide:sc= 0.671 K(o=0.67,f=-0.043) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.43 X(o=0.43,f=0) USER MOD Single : A 12 MET CE :methyl 158:sc= 0 (180deg=-0.987) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot -108:sc= 0.982 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 26 SER OG : rot 77:sc= 0.822 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= 0.22 (180deg=0.0836) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00309 USER MOD Single : A 41 SER OG : rot 14:sc= 0.995 USER MOD Single : A 42 ASN : amide:sc= -0.225 K(o=-0.22,f=-3.3!) USER MOD Single : A 44 THR OG1 : rot -160:sc= 0.435 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N THR A 2 4.978 -15.333 -3.284 1.00 0.00 N ATOM 23 CA THR A 2 5.537 -14.011 -3.532 1.00 0.00 C ATOM 24 C THR A 2 4.752 -13.334 -4.657 1.00 0.00 C ATOM 25 O THR A 2 4.700 -13.864 -5.766 1.00 0.00 O ATOM 26 CB THR A 2 7.027 -14.127 -3.900 1.00 0.00 C ATOM 27 OG1 THR A 2 7.193 -14.930 -5.051 1.00 0.00 O ATOM 28 CG2 THR A 2 7.870 -14.731 -2.772 1.00 0.00 C ATOM 0 HA THR A 2 5.457 -13.405 -2.630 1.00 0.00 H new ATOM 0 HB THR A 2 7.372 -13.109 -4.084 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.424 -14.811 -5.647 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.912 -14.789 -3.087 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.794 -14.103 -1.884 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.505 -15.732 -2.541 1.00 0.00 H new ATOM 36 N GLN A 3 4.155 -12.168 -4.377 1.00 0.00 N ATOM 37 CA GLN A 3 3.447 -11.340 -5.348 1.00 0.00 C ATOM 38 C GLN A 3 3.760 -9.866 -5.081 1.00 0.00 C ATOM 39 O GLN A 3 4.353 -9.527 -4.059 1.00 0.00 O ATOM 40 CB GLN A 3 1.933 -11.594 -5.250 1.00 0.00 C ATOM 41 CG GLN A 3 1.485 -12.942 -5.829 1.00 0.00 C ATOM 42 CD GLN A 3 1.615 -12.993 -7.350 1.00 0.00 C ATOM 43 OE1 GLN A 3 0.715 -12.559 -8.064 1.00 0.00 O ATOM 44 NE2 GLN A 3 2.729 -13.525 -7.854 1.00 0.00 N ATOM 0 H GLN A 3 4.154 -11.768 -3.439 1.00 0.00 H new ATOM 0 HA GLN A 3 3.775 -11.597 -6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.634 -11.543 -4.203 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.407 -10.794 -5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.083 -13.740 -5.389 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.448 -13.128 -5.549 1.00 0.00 H new ATOM 0 HE21 GLN A 3 3.455 -13.875 -7.229 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.855 -13.582 -8.865 1.00 0.00 H new ATOM 53 N GLU A 4 3.356 -8.993 -6.012 1.00 0.00 N ATOM 54 CA GLU A 4 3.455 -7.547 -5.883 1.00 0.00 C ATOM 55 C GLU A 4 2.190 -6.915 -6.460 1.00 0.00 C ATOM 56 O GLU A 4 1.648 -7.418 -7.443 1.00 0.00 O ATOM 57 CB GLU A 4 4.729 -7.045 -6.578 1.00 0.00 C ATOM 58 CG GLU A 4 4.949 -5.542 -6.365 1.00 0.00 C ATOM 59 CD GLU A 4 6.291 -5.087 -6.926 1.00 0.00 C ATOM 60 OE1 GLU A 4 7.295 -5.246 -6.198 1.00 0.00 O ATOM 61 OE2 GLU A 4 6.291 -4.588 -8.073 1.00 0.00 O ATOM 0 H GLU A 4 2.941 -9.288 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 4 3.531 -7.258 -4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.590 -7.594 -6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.665 -7.254 -7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.145 -4.984 -6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.903 -5.314 -5.300 1.00 0.00 H new ATOM 68 N THR A 5 1.722 -5.826 -5.837 1.00 0.00 N ATOM 69 CA THR A 5 0.525 -5.100 -6.238 1.00 0.00 C ATOM 70 C THR A 5 0.807 -3.597 -6.242 1.00 0.00 C ATOM 71 O THR A 5 1.516 -3.094 -5.370 1.00 0.00 O ATOM 72 CB THR A 5 -0.656 -5.472 -5.323 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.816 -4.781 -5.736 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.404 -5.167 -3.841 1.00 0.00 C ATOM 0 H THR A 5 2.181 -5.421 -5.021 1.00 0.00 H new ATOM 0 HA THR A 5 0.245 -5.384 -7.252 1.00 0.00 H new ATOM 0 HB THR A 5 -0.783 -6.551 -5.415 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.565 -5.022 -5.152 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.278 -5.455 -3.257 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.464 -5.729 -3.496 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.219 -4.100 -3.715 1.00 0.00 H new ATOM 82 N VAL A 6 0.244 -2.897 -7.233 1.00 0.00 N ATOM 83 CA VAL A 6 0.298 -1.452 -7.383 1.00 0.00 C ATOM 84 C VAL A 6 -1.095 -0.923 -7.050 1.00 0.00 C ATOM 85 O VAL A 6 -2.028 -1.096 -7.832 1.00 0.00 O ATOM 86 CB VAL A 6 0.723 -1.083 -8.815 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.809 0.441 -8.977 1.00 0.00 C ATOM 88 CG2 VAL A 6 2.086 -1.694 -9.168 1.00 0.00 C ATOM 0 H VAL A 6 -0.283 -3.348 -7.981 1.00 0.00 H new ATOM 0 HA VAL A 6 1.035 -1.006 -6.716 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.033 -1.485 -9.489 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.111 0.682 -9.996 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.166 0.884 -8.773 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.543 0.840 -8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.357 -1.415 -10.186 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.842 -1.322 -8.476 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.028 -2.780 -9.093 1.00 0.00 H new ATOM 98 N ILE A 7 -1.229 -0.288 -5.883 1.00 0.00 N ATOM 99 CA ILE A 7 -2.486 0.228 -5.367 1.00 0.00 C ATOM 100 C ILE A 7 -2.502 1.738 -5.597 1.00 0.00 C ATOM 101 O ILE A 7 -1.600 2.427 -5.134 1.00 0.00 O ATOM 102 CB ILE A 7 -2.613 -0.117 -3.868 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.383 -1.625 -3.643 1.00 0.00 C ATOM 104 CG2 ILE A 7 -3.991 0.320 -3.346 1.00 0.00 C ATOM 105 CD1 ILE A 7 -2.532 -2.057 -2.182 1.00 0.00 C ATOM 0 H ILE A 7 -0.441 -0.117 -5.259 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.336 -0.223 -5.879 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.849 0.423 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.090 -2.187 -4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.384 -1.887 -3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.074 0.074 -2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.106 1.396 -3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.772 -0.199 -3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.356 -3.130 -2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.806 -1.523 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.539 -1.827 -1.835 1.00 0.00 H new ATOM 117 N ASN A 8 -3.517 2.259 -6.294 1.00 0.00 N ATOM 118 CA ASN A 8 -3.753 3.694 -6.394 1.00 0.00 C ATOM 119 C ASN A 8 -4.215 4.201 -5.030 1.00 0.00 C ATOM 120 O ASN A 8 -5.145 3.640 -4.450 1.00 0.00 O ATOM 121 CB ASN A 8 -4.824 4.024 -7.440 1.00 0.00 C ATOM 122 CG ASN A 8 -4.537 3.415 -8.808 1.00 0.00 C ATOM 123 OD1 ASN A 8 -3.737 3.943 -9.575 1.00 0.00 O ATOM 124 ND2 ASN A 8 -5.202 2.301 -9.118 1.00 0.00 N ATOM 0 H ASN A 8 -4.196 1.693 -6.803 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.826 4.177 -6.703 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.791 3.666 -7.086 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.903 5.106 -7.541 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.055 1.854 -10.023 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.858 1.896 -8.450 1.00 0.00 H new ATOM 131 N ILE A 9 -3.555 5.254 -4.534 1.00 0.00 N ATOM 132 CA ILE A 9 -3.816 5.888 -3.252 1.00 0.00 C ATOM 133 C ILE A 9 -3.998 7.375 -3.546 1.00 0.00 C ATOM 134 O ILE A 9 -3.040 8.145 -3.486 1.00 0.00 O ATOM 135 CB ILE A 9 -2.659 5.609 -2.271 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.476 4.092 -2.082 1.00 0.00 C ATOM 137 CG2 ILE A 9 -2.938 6.285 -0.917 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.310 3.736 -1.160 1.00 0.00 C ATOM 0 H ILE A 9 -2.793 5.701 -5.043 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.710 5.494 -2.768 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.740 6.022 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.395 3.670 -1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.316 3.628 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.115 6.081 -0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.033 7.361 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.864 5.892 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.236 2.652 -1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.383 4.130 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.479 4.172 -0.175 1.00 0.00 H new ATOM 150 N ASP A 10 -5.230 7.770 -3.883 1.00 0.00 N ATOM 151 CA ASP A 10 -5.551 9.141 -4.255 1.00 0.00 C ATOM 152 C ASP A 10 -6.178 9.878 -3.069 1.00 0.00 C ATOM 153 O ASP A 10 -6.856 9.275 -2.236 1.00 0.00 O ATOM 154 CB ASP A 10 -6.452 9.140 -5.497 1.00 0.00 C ATOM 155 CG ASP A 10 -6.834 10.553 -5.926 1.00 0.00 C ATOM 156 OD1 ASP A 10 -5.922 11.274 -6.385 1.00 0.00 O ATOM 157 OD2 ASP A 10 -8.029 10.890 -5.782 1.00 0.00 O ATOM 0 H ASP A 10 -6.032 7.141 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.640 9.681 -4.514 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.938 8.638 -6.317 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.356 8.567 -5.289 1.00 0.00 H new ATOM 162 N GLY A 11 -5.936 11.193 -3.004 1.00 0.00 N ATOM 163 CA GLY A 11 -6.478 12.085 -1.991 1.00 0.00 C ATOM 164 C GLY A 11 -5.542 12.264 -0.794 1.00 0.00 C ATOM 165 O GLY A 11 -6.014 12.577 0.298 1.00 0.00 O ATOM 0 H GLY A 11 -5.339 11.672 -3.678 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.676 13.058 -2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.434 11.694 -1.643 1.00 0.00 H new ATOM 169 N MET A 12 -4.226 12.091 -0.986 1.00 0.00 N ATOM 170 CA MET A 12 -3.240 12.357 0.052 1.00 0.00 C ATOM 171 C MET A 12 -2.976 13.861 0.127 1.00 0.00 C ATOM 172 O MET A 12 -2.843 14.525 -0.900 1.00 0.00 O ATOM 173 CB MET A 12 -1.940 11.589 -0.217 1.00 0.00 C ATOM 174 CG MET A 12 -2.108 10.085 0.022 1.00 0.00 C ATOM 175 SD MET A 12 -0.550 9.156 0.074 1.00 0.00 S ATOM 176 CE MET A 12 -0.237 8.945 -1.693 1.00 0.00 C ATOM 0 H MET A 12 -3.824 11.764 -1.865 1.00 0.00 H new ATOM 0 HA MET A 12 -3.632 12.014 1.010 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.623 11.760 -1.246 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.150 11.974 0.428 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.637 9.936 0.963 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.737 9.672 -0.767 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.825 8.758 -1.855 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.816 8.100 -2.067 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.531 9.850 -2.225 1.00 0.00 H new ATOM 186 N THR A 13 -2.913 14.389 1.353 1.00 0.00 N ATOM 187 CA THR A 13 -2.809 15.815 1.627 1.00 0.00 C ATOM 188 C THR A 13 -1.352 16.274 1.563 1.00 0.00 C ATOM 189 O THR A 13 -1.057 17.296 0.945 1.00 0.00 O ATOM 190 CB THR A 13 -3.419 16.099 3.010 1.00 0.00 C ATOM 191 OG1 THR A 13 -4.717 15.543 3.079 1.00 0.00 O ATOM 192 CG2 THR A 13 -3.507 17.602 3.294 1.00 0.00 C ATOM 0 H THR A 13 -2.934 13.819 2.198 1.00 0.00 H new ATOM 0 HA THR A 13 -3.358 16.375 0.870 1.00 0.00 H new ATOM 0 HB THR A 13 -2.768 15.646 3.758 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.104 15.723 3.961 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.943 17.761 4.280 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.508 18.037 3.265 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.133 18.079 2.539 1.00 0.00 H new ATOM 200 N CYS A 14 -0.447 15.529 2.209 1.00 0.00 N ATOM 201 CA CYS A 14 0.964 15.887 2.321 1.00 0.00 C ATOM 202 C CYS A 14 1.795 14.621 2.564 1.00 0.00 C ATOM 203 O CYS A 14 1.246 13.526 2.687 1.00 0.00 O ATOM 204 CB CYS A 14 1.152 16.908 3.456 1.00 0.00 C ATOM 205 SG CYS A 14 0.921 16.156 5.080 1.00 0.00 S ATOM 0 H CYS A 14 -0.681 14.651 2.673 1.00 0.00 H new ATOM 0 HA CYS A 14 1.306 16.347 1.394 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.151 17.340 3.394 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.443 17.726 3.330 1.00 0.00 H new ATOM 0 HG CYS A 14 1.092 17.055 6.003 1.00 0.00 H new ATOM 210 N ASN A 15 3.123 14.777 2.633 1.00 0.00 N ATOM 211 CA ASN A 15 4.071 13.674 2.761 1.00 0.00 C ATOM 212 C ASN A 15 3.865 12.849 4.037 1.00 0.00 C ATOM 213 O ASN A 15 4.225 11.675 4.061 1.00 0.00 O ATOM 214 CB ASN A 15 5.503 14.216 2.669 1.00 0.00 C ATOM 215 CG ASN A 15 6.547 13.101 2.599 1.00 0.00 C ATOM 216 OD1 ASN A 15 7.405 12.993 3.470 1.00 0.00 O ATOM 217 ND2 ASN A 15 6.484 12.269 1.557 1.00 0.00 N ATOM 0 H ASN A 15 3.572 15.692 2.600 1.00 0.00 H new ATOM 0 HA ASN A 15 3.890 12.986 1.935 1.00 0.00 H new ATOM 0 HB2 ASN A 15 5.592 14.849 1.786 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.706 14.846 3.535 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.163 11.513 1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.757 12.389 0.852 1.00 0.00 H new ATOM 224 N SER A 16 3.274 13.433 5.088 1.00 0.00 N ATOM 225 CA SER A 16 2.924 12.709 6.307 1.00 0.00 C ATOM 226 C SER A 16 2.073 11.472 6.000 1.00 0.00 C ATOM 227 O SER A 16 2.233 10.443 6.654 1.00 0.00 O ATOM 228 CB SER A 16 2.194 13.630 7.289 1.00 0.00 C ATOM 229 OG SER A 16 2.970 14.778 7.564 1.00 0.00 O ATOM 0 H SER A 16 3.027 14.422 5.112 1.00 0.00 H new ATOM 0 HA SER A 16 3.852 12.370 6.768 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.232 13.926 6.871 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.988 13.093 8.215 1.00 0.00 H new ATOM 0 HG SER A 16 2.677 15.516 6.990 1.00 0.00 H new ATOM 235 N CYS A 17 1.182 11.565 5.000 1.00 0.00 N ATOM 236 CA CYS A 17 0.387 10.433 4.546 1.00 0.00 C ATOM 237 C CYS A 17 1.310 9.321 4.052 1.00 0.00 C ATOM 238 O CYS A 17 1.244 8.206 4.559 1.00 0.00 O ATOM 239 CB CYS A 17 -0.586 10.856 3.443 1.00 0.00 C ATOM 240 SG CYS A 17 -1.770 12.149 3.890 1.00 0.00 S ATOM 0 H CYS A 17 0.999 12.429 4.490 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.202 10.060 5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.007 11.201 2.586 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.142 9.977 3.119 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.957 11.631 3.999 1.00 0.00 H new ATOM 245 N VAL A 18 2.179 9.630 3.080 1.00 0.00 N ATOM 246 CA VAL A 18 3.143 8.695 2.505 1.00 0.00 C ATOM 247 C VAL A 18 3.928 7.984 3.611 1.00 0.00 C ATOM 248 O VAL A 18 3.990 6.756 3.634 1.00 0.00 O ATOM 249 CB VAL A 18 4.082 9.443 1.539 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.191 8.540 0.989 1.00 0.00 C ATOM 251 CG2 VAL A 18 3.303 10.024 0.354 1.00 0.00 C ATOM 0 H VAL A 18 2.229 10.560 2.665 1.00 0.00 H new ATOM 0 HA VAL A 18 2.609 7.931 1.940 1.00 0.00 H new ATOM 0 HB VAL A 18 4.536 10.245 2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.826 9.114 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.792 8.158 1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.746 7.706 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.990 10.547 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.813 9.217 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.551 10.723 0.720 1.00 0.00 H new ATOM 261 N GLN A 19 4.517 8.767 4.523 1.00 0.00 N ATOM 262 CA GLN A 19 5.323 8.275 5.631 1.00 0.00 C ATOM 263 C GLN A 19 4.529 7.302 6.505 1.00 0.00 C ATOM 264 O GLN A 19 4.977 6.181 6.736 1.00 0.00 O ATOM 265 CB GLN A 19 5.826 9.460 6.465 1.00 0.00 C ATOM 266 CG GLN A 19 6.830 10.327 5.696 1.00 0.00 C ATOM 267 CD GLN A 19 7.142 11.605 6.471 1.00 0.00 C ATOM 268 OE1 GLN A 19 6.502 12.633 6.265 1.00 0.00 O ATOM 269 NE2 GLN A 19 8.126 11.543 7.370 1.00 0.00 N ATOM 0 H GLN A 19 4.440 9.784 4.504 1.00 0.00 H new ATOM 0 HA GLN A 19 6.176 7.731 5.226 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.978 10.073 6.770 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.294 9.088 7.376 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.748 9.765 5.526 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.425 10.579 4.716 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.634 10.670 7.511 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.371 12.369 7.916 1.00 0.00 H new ATOM 278 N SER A 20 3.359 7.732 6.994 1.00 0.00 N ATOM 279 CA SER A 20 2.537 6.951 7.908 1.00 0.00 C ATOM 280 C SER A 20 2.066 5.644 7.263 1.00 0.00 C ATOM 281 O SER A 20 2.223 4.580 7.859 1.00 0.00 O ATOM 282 CB SER A 20 1.366 7.796 8.422 1.00 0.00 C ATOM 283 OG SER A 20 0.541 8.234 7.363 1.00 0.00 O ATOM 0 H SER A 20 2.959 8.641 6.760 1.00 0.00 H new ATOM 0 HA SER A 20 3.147 6.669 8.766 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.775 7.211 9.127 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.750 8.659 8.967 1.00 0.00 H new ATOM 0 HG SER A 20 0.946 9.017 6.935 1.00 0.00 H new ATOM 289 N ILE A 21 1.506 5.725 6.050 1.00 0.00 N ATOM 290 CA ILE A 21 1.055 4.575 5.275 1.00 0.00 C ATOM 291 C ILE A 21 2.190 3.559 5.153 1.00 0.00 C ATOM 292 O ILE A 21 2.019 2.400 5.526 1.00 0.00 O ATOM 293 CB ILE A 21 0.569 5.027 3.883 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.716 5.870 3.987 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.305 3.810 2.984 1.00 0.00 C ATOM 296 CD1 ILE A 21 -0.965 6.648 2.691 1.00 0.00 C ATOM 0 H ILE A 21 1.353 6.614 5.574 1.00 0.00 H new ATOM 0 HA ILE A 21 0.218 4.101 5.788 1.00 0.00 H new ATOM 0 HB ILE A 21 1.356 5.640 3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.566 5.220 4.195 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.634 6.565 4.823 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.037 4.148 2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.225 3.237 2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.460 3.181 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.878 7.236 2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.124 7.314 2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.071 5.949 1.862 1.00 0.00 H new ATOM 308 N GLU A 22 3.341 3.997 4.627 1.00 0.00 N ATOM 309 CA GLU A 22 4.486 3.134 4.392 1.00 0.00 C ATOM 310 C GLU A 22 4.925 2.466 5.696 1.00 0.00 C ATOM 311 O GLU A 22 5.068 1.248 5.739 1.00 0.00 O ATOM 312 CB GLU A 22 5.609 3.946 3.734 1.00 0.00 C ATOM 313 CG GLU A 22 6.739 3.042 3.231 1.00 0.00 C ATOM 314 CD GLU A 22 7.741 3.832 2.393 1.00 0.00 C ATOM 315 OE1 GLU A 22 7.386 4.157 1.238 1.00 0.00 O ATOM 316 OE2 GLU A 22 8.841 4.102 2.922 1.00 0.00 O ATOM 0 H GLU A 22 3.496 4.967 4.354 1.00 0.00 H new ATOM 0 HA GLU A 22 4.216 2.331 3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.203 4.520 2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.008 4.663 4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.249 2.586 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.322 2.230 2.635 1.00 0.00 H new ATOM 323 N GLY A 23 5.112 3.264 6.755 1.00 0.00 N ATOM 324 CA GLY A 23 5.511 2.801 8.076 1.00 0.00 C ATOM 325 C GLY A 23 4.604 1.687 8.601 1.00 0.00 C ATOM 326 O GLY A 23 5.096 0.641 9.017 1.00 0.00 O ATOM 0 H GLY A 23 4.985 4.275 6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.539 2.441 8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.493 3.639 8.773 1.00 0.00 H new ATOM 330 N VAL A 24 3.283 1.908 8.579 1.00 0.00 N ATOM 331 CA VAL A 24 2.300 0.932 9.032 1.00 0.00 C ATOM 332 C VAL A 24 2.400 -0.349 8.200 1.00 0.00 C ATOM 333 O VAL A 24 2.558 -1.434 8.756 1.00 0.00 O ATOM 334 CB VAL A 24 0.886 1.544 8.979 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.211 0.484 9.171 1.00 0.00 C ATOM 336 CG2 VAL A 24 0.728 2.606 10.075 1.00 0.00 C ATOM 0 H VAL A 24 2.870 2.778 8.243 1.00 0.00 H new ATOM 0 HA VAL A 24 2.507 0.664 10.068 1.00 0.00 H new ATOM 0 HB VAL A 24 0.772 1.990 7.991 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.190 0.961 9.126 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.136 -0.264 8.382 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.086 0.003 10.141 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.275 3.031 10.028 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.882 2.147 11.052 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.464 3.396 9.925 1.00 0.00 H new ATOM 346 N ILE A 25 2.295 -0.226 6.872 1.00 0.00 N ATOM 347 CA ILE A 25 2.196 -1.374 5.982 1.00 0.00 C ATOM 348 C ILE A 25 3.470 -2.228 6.020 1.00 0.00 C ATOM 349 O ILE A 25 3.368 -3.452 5.986 1.00 0.00 O ATOM 350 CB ILE A 25 1.750 -0.929 4.576 1.00 0.00 C ATOM 351 CG1 ILE A 25 0.317 -0.366 4.669 1.00 0.00 C ATOM 352 CG2 ILE A 25 1.773 -2.108 3.594 1.00 0.00 C ATOM 353 CD1 ILE A 25 -0.235 0.134 3.333 1.00 0.00 C ATOM 0 H ILE A 25 2.277 0.673 6.391 1.00 0.00 H new ATOM 0 HA ILE A 25 1.413 -2.044 6.338 1.00 0.00 H new ATOM 0 HB ILE A 25 2.438 -0.167 4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.344 -1.141 5.058 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.304 0.454 5.387 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.454 -1.767 2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.785 -2.508 3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.096 -2.887 3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.246 0.515 3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.403 0.932 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.255 -0.688 2.617 1.00 0.00 H new ATOM 365 N SER A 26 4.656 -1.609 6.128 1.00 0.00 N ATOM 366 CA SER A 26 5.922 -2.316 6.318 1.00 0.00 C ATOM 367 C SER A 26 5.858 -3.338 7.460 1.00 0.00 C ATOM 368 O SER A 26 6.510 -4.378 7.383 1.00 0.00 O ATOM 369 CB SER A 26 7.050 -1.317 6.605 1.00 0.00 C ATOM 370 OG SER A 26 7.305 -0.503 5.483 1.00 0.00 O ATOM 0 H SER A 26 4.759 -0.595 6.085 1.00 0.00 H new ATOM 0 HA SER A 26 6.121 -2.857 5.393 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.779 -0.693 7.457 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.956 -1.856 6.880 1.00 0.00 H new ATOM 0 HG SER A 26 6.608 0.182 5.410 1.00 0.00 H new ATOM 376 N LYS A 27 5.085 -3.044 8.514 1.00 0.00 N ATOM 377 CA LYS A 27 5.014 -3.858 9.720 1.00 0.00 C ATOM 378 C LYS A 27 3.933 -4.941 9.621 1.00 0.00 C ATOM 379 O LYS A 27 3.913 -5.839 10.462 1.00 0.00 O ATOM 380 CB LYS A 27 4.756 -2.949 10.931 1.00 0.00 C ATOM 381 CG LYS A 27 5.892 -1.937 11.133 1.00 0.00 C ATOM 382 CD LYS A 27 5.503 -0.908 12.198 1.00 0.00 C ATOM 383 CE LYS A 27 6.598 0.153 12.333 1.00 0.00 C ATOM 384 NZ LYS A 27 6.242 1.164 13.342 1.00 0.00 N ATOM 0 H LYS A 27 4.485 -2.220 8.546 1.00 0.00 H new ATOM 0 HA LYS A 27 5.968 -4.372 9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.815 -2.417 10.793 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.648 -3.559 11.828 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.802 -2.456 11.434 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.110 -1.432 10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.559 -0.434 11.929 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.348 -1.405 13.155 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.538 -0.325 12.610 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.758 0.638 11.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.003 1.869 13.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.358 1.635 13.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.113 0.703 14.265 1.00 0.00 H new ATOM 398 N LYS A 28 3.041 -4.884 8.620 1.00 0.00 N ATOM 399 CA LYS A 28 2.005 -5.898 8.456 1.00 0.00 C ATOM 400 C LYS A 28 2.638 -7.221 8.003 1.00 0.00 C ATOM 401 O LYS A 28 3.542 -7.207 7.166 1.00 0.00 O ATOM 402 CB LYS A 28 0.942 -5.447 7.446 1.00 0.00 C ATOM 403 CG LYS A 28 0.140 -4.243 7.952 1.00 0.00 C ATOM 404 CD LYS A 28 -0.879 -3.724 6.925 1.00 0.00 C ATOM 405 CE LYS A 28 -2.015 -4.710 6.625 1.00 0.00 C ATOM 406 NZ LYS A 28 -1.678 -5.645 5.537 1.00 0.00 N ATOM 0 H LYS A 28 3.022 -4.145 7.917 1.00 0.00 H new ATOM 0 HA LYS A 28 1.514 -6.043 9.418 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.424 -5.190 6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.263 -6.275 7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.384 -4.521 8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.828 -3.438 8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.308 -2.792 7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.358 -3.491 5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.248 -5.276 7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.913 -4.154 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.380 -5.558 4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.733 -5.419 5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.683 -6.619 5.902 1.00 0.00 H new ATOM 420 N PRO A 29 2.179 -8.367 8.535 1.00 0.00 N ATOM 421 CA PRO A 29 2.743 -9.668 8.216 1.00 0.00 C ATOM 422 C PRO A 29 2.498 -9.992 6.744 1.00 0.00 C ATOM 423 O PRO A 29 1.388 -9.820 6.244 1.00 0.00 O ATOM 424 CB PRO A 29 2.046 -10.662 9.149 1.00 0.00 C ATOM 425 CG PRO A 29 0.701 -9.995 9.431 1.00 0.00 C ATOM 426 CD PRO A 29 1.058 -8.509 9.450 1.00 0.00 C ATOM 0 HA PRO A 29 3.823 -9.704 8.361 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.921 -11.637 8.677 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.616 -10.822 10.064 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.034 -10.225 8.660 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.279 -10.322 10.381 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.213 -7.898 9.133 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.328 -8.183 10.455 1.00 0.00 H new ATOM 434 N GLY A 30 3.549 -10.448 6.055 1.00 0.00 N ATOM 435 CA GLY A 30 3.512 -10.764 4.639 1.00 0.00 C ATOM 436 C GLY A 30 4.229 -9.715 3.800 1.00 0.00 C ATOM 437 O GLY A 30 4.817 -10.069 2.781 1.00 0.00 O ATOM 0 H GLY A 30 4.462 -10.608 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.973 -11.738 4.473 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.475 -10.842 4.312 1.00 0.00 H new ATOM 441 N VAL A 31 4.181 -8.439 4.208 1.00 0.00 N ATOM 442 CA VAL A 31 4.798 -7.354 3.459 1.00 0.00 C ATOM 443 C VAL A 31 6.321 -7.460 3.548 1.00 0.00 C ATOM 444 O VAL A 31 6.866 -7.695 4.626 1.00 0.00 O ATOM 445 CB VAL A 31 4.288 -5.992 3.959 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.974 -4.846 3.201 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.769 -5.903 3.756 1.00 0.00 C ATOM 0 H VAL A 31 3.714 -8.139 5.064 1.00 0.00 H new ATOM 0 HA VAL A 31 4.517 -7.437 2.409 1.00 0.00 H new ATOM 0 HB VAL A 31 4.524 -5.901 5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.600 -3.891 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.051 -4.899 3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.759 -4.934 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.410 -4.937 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.537 -6.009 2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.280 -6.700 4.316 1.00 0.00 H new ATOM 457 N LYS A 32 6.991 -7.285 2.403 1.00 0.00 N ATOM 458 CA LYS A 32 8.440 -7.308 2.273 1.00 0.00 C ATOM 459 C LYS A 32 8.906 -5.890 1.936 1.00 0.00 C ATOM 460 O LYS A 32 8.989 -5.051 2.832 1.00 0.00 O ATOM 461 CB LYS A 32 8.827 -8.352 1.217 1.00 0.00 C ATOM 462 CG LYS A 32 8.584 -9.778 1.736 1.00 0.00 C ATOM 463 CD LYS A 32 8.422 -10.772 0.581 1.00 0.00 C ATOM 464 CE LYS A 32 6.994 -10.713 0.026 1.00 0.00 C ATOM 465 NZ LYS A 32 6.851 -11.529 -1.188 1.00 0.00 N ATOM 0 H LYS A 32 6.517 -7.118 1.515 1.00 0.00 H new ATOM 0 HA LYS A 32 8.936 -7.604 3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.247 -8.188 0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.877 -8.232 0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.418 -10.084 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.690 -9.793 2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.137 -10.542 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.644 -11.782 0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.294 -11.062 0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.732 -9.679 -0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.969 -11.274 -1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.659 -11.356 -1.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.824 -12.536 -0.928 1.00 0.00 H new ATOM 479 N SER A 33 9.200 -5.610 0.660 1.00 0.00 N ATOM 480 CA SER A 33 9.592 -4.288 0.195 1.00 0.00 C ATOM 481 C SER A 33 8.342 -3.474 -0.141 1.00 0.00 C ATOM 482 O SER A 33 7.346 -4.027 -0.605 1.00 0.00 O ATOM 483 CB SER A 33 10.513 -4.426 -1.022 1.00 0.00 C ATOM 484 OG SER A 33 9.891 -5.181 -2.040 1.00 0.00 O ATOM 0 H SER A 33 9.170 -6.309 -0.082 1.00 0.00 H new ATOM 0 HA SER A 33 10.140 -3.763 0.977 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.771 -3.438 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.445 -4.906 -0.725 1.00 0.00 H new ATOM 0 HG SER A 33 10.495 -5.255 -2.808 1.00 0.00 H new ATOM 490 N ILE A 34 8.398 -2.159 0.092 1.00 0.00 N ATOM 491 CA ILE A 34 7.306 -1.243 -0.196 1.00 0.00 C ATOM 492 C ILE A 34 7.861 0.141 -0.529 1.00 0.00 C ATOM 493 O ILE A 34 8.850 0.576 0.060 1.00 0.00 O ATOM 494 CB ILE A 34 6.296 -1.200 0.970 1.00 0.00 C ATOM 495 CG1 ILE A 34 5.218 -0.135 0.695 1.00 0.00 C ATOM 496 CG2 ILE A 34 6.973 -0.945 2.325 1.00 0.00 C ATOM 497 CD1 ILE A 34 4.045 -0.189 1.675 1.00 0.00 C ATOM 0 H ILE A 34 9.217 -1.701 0.492 1.00 0.00 H new ATOM 0 HA ILE A 34 6.761 -1.603 -1.068 1.00 0.00 H new ATOM 0 HB ILE A 34 5.828 -2.182 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.675 0.854 0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.840 -0.265 -0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.218 -0.924 3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.688 -1.742 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.494 0.012 2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.324 0.588 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.563 -1.165 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.411 -0.029 2.689 1.00 0.00 H new ATOM 509 N ARG A 35 7.199 0.824 -1.471 1.00 0.00 N ATOM 510 CA ARG A 35 7.417 2.226 -1.782 1.00 0.00 C ATOM 511 C ARG A 35 6.043 2.876 -1.925 1.00 0.00 C ATOM 512 O ARG A 35 5.155 2.294 -2.546 1.00 0.00 O ATOM 513 CB ARG A 35 8.252 2.355 -3.063 1.00 0.00 C ATOM 514 CG ARG A 35 8.629 3.814 -3.375 1.00 0.00 C ATOM 515 CD ARG A 35 7.987 4.327 -4.669 1.00 0.00 C ATOM 516 NE ARG A 35 6.521 4.401 -4.569 1.00 0.00 N ATOM 517 CZ ARG A 35 5.628 3.735 -5.323 1.00 0.00 C ATOM 518 NH1 ARG A 35 6.008 2.939 -6.332 1.00 0.00 N ATOM 519 NH2 ARG A 35 4.321 3.862 -5.063 1.00 0.00 N ATOM 0 H ARG A 35 6.477 0.396 -2.050 1.00 0.00 H new ATOM 0 HA ARG A 35 7.976 2.729 -0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.161 1.762 -2.962 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.692 1.940 -3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.322 4.450 -2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.713 3.896 -3.455 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.384 5.315 -4.903 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.261 3.670 -5.494 1.00 0.00 H new ATOM 0 HE ARG A 35 6.142 5.022 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.999 2.825 -6.546 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.307 2.447 -6.886 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.009 4.460 -4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.637 3.361 -5.630 1.00 0.00 H new ATOM 533 N VAL A 36 5.874 4.070 -1.347 1.00 0.00 N ATOM 534 CA VAL A 36 4.672 4.887 -1.453 1.00 0.00 C ATOM 535 C VAL A 36 5.089 6.262 -1.986 1.00 0.00 C ATOM 536 O VAL A 36 6.170 6.745 -1.653 1.00 0.00 O ATOM 537 CB VAL A 36 3.954 4.952 -0.091 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.619 5.703 -0.199 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.667 3.545 0.451 1.00 0.00 C ATOM 0 H VAL A 36 6.598 4.504 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 36 3.952 4.455 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 36 4.621 5.483 0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.137 5.731 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.801 6.721 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.970 5.190 -0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.160 3.622 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.031 3.007 -0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.606 3.005 0.578 1.00 0.00 H new ATOM 549 N SER A 37 4.251 6.874 -2.835 1.00 0.00 N ATOM 550 CA SER A 37 4.557 8.125 -3.520 1.00 0.00 C ATOM 551 C SER A 37 3.300 8.986 -3.632 1.00 0.00 C ATOM 552 O SER A 37 2.258 8.500 -4.068 1.00 0.00 O ATOM 553 CB SER A 37 5.120 7.812 -4.911 1.00 0.00 C ATOM 554 OG SER A 37 5.298 8.999 -5.661 1.00 0.00 O ATOM 0 H SER A 37 3.329 6.503 -3.064 1.00 0.00 H new ATOM 0 HA SER A 37 5.300 8.682 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.073 7.292 -4.814 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.443 7.141 -5.439 1.00 0.00 H new ATOM 0 HG SER A 37 6.255 9.153 -5.807 1.00 0.00 H new ATOM 560 N LEU A 38 3.417 10.267 -3.252 1.00 0.00 N ATOM 561 CA LEU A 38 2.364 11.265 -3.402 1.00 0.00 C ATOM 562 C LEU A 38 2.303 11.729 -4.858 1.00 0.00 C ATOM 563 O LEU A 38 1.222 11.813 -5.435 1.00 0.00 O ATOM 564 CB LEU A 38 2.611 12.453 -2.454 1.00 0.00 C ATOM 565 CG LEU A 38 1.319 12.993 -1.818 1.00 0.00 C ATOM 566 CD1 LEU A 38 1.669 14.139 -0.864 1.00 0.00 C ATOM 567 CD2 LEU A 38 0.308 13.493 -2.856 1.00 0.00 C ATOM 0 H LEU A 38 4.265 10.639 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 38 1.405 10.820 -3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.297 12.144 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.101 13.255 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 38 0.851 12.166 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.757 14.526 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.335 13.772 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.164 14.936 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.583 13.862 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.753 14.299 -3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.034 12.674 -3.521 1.00 0.00 H new ATOM 579 N ALA A 39 3.470 12.016 -5.450 1.00 0.00 N ATOM 580 CA ALA A 39 3.603 12.449 -6.836 1.00 0.00 C ATOM 581 C ALA A 39 2.871 11.501 -7.787 1.00 0.00 C ATOM 582 O ALA A 39 2.130 11.952 -8.658 1.00 0.00 O ATOM 583 CB ALA A 39 5.088 12.547 -7.199 1.00 0.00 C ATOM 0 H ALA A 39 4.364 11.950 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 39 3.143 13.431 -6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.189 12.871 -8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.576 13.269 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.558 11.571 -7.076 1.00 0.00 H new ATOM 589 N ASN A 40 3.072 10.190 -7.603 1.00 0.00 N ATOM 590 CA ASN A 40 2.414 9.154 -8.389 1.00 0.00 C ATOM 591 C ASN A 40 1.080 8.719 -7.762 1.00 0.00 C ATOM 592 O ASN A 40 0.326 7.993 -8.406 1.00 0.00 O ATOM 593 CB ASN A 40 3.367 7.965 -8.554 1.00 0.00 C ATOM 594 CG ASN A 40 4.634 8.344 -9.318 1.00 0.00 C ATOM 595 OD1 ASN A 40 4.673 8.256 -10.542 1.00 0.00 O ATOM 596 ND2 ASN A 40 5.677 8.761 -8.597 1.00 0.00 N ATOM 0 H ASN A 40 3.705 9.821 -6.894 1.00 0.00 H new ATOM 0 HA ASN A 40 2.174 9.561 -9.371 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.639 7.580 -7.571 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.854 7.160 -9.081 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.547 9.021 -9.062 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.604 8.820 -7.581 1.00 0.00 H new ATOM 603 N SER A 41 0.783 9.161 -6.529 1.00 0.00 N ATOM 604 CA SER A 41 -0.456 8.891 -5.802 1.00 0.00 C ATOM 605 C SER A 41 -0.752 7.392 -5.758 1.00 0.00 C ATOM 606 O SER A 41 -1.820 6.950 -6.183 1.00 0.00 O ATOM 607 CB SER A 41 -1.612 9.705 -6.400 1.00 0.00 C ATOM 608 OG SER A 41 -1.387 11.087 -6.210 1.00 0.00 O ATOM 0 H SER A 41 1.431 9.740 -5.994 1.00 0.00 H new ATOM 0 HA SER A 41 -0.337 9.211 -4.767 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.707 9.488 -7.464 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.552 9.414 -5.930 1.00 0.00 H new ATOM 0 HG SER A 41 -0.456 11.233 -5.942 1.00 0.00 H new ATOM 614 N ASN A 42 0.207 6.609 -5.252 1.00 0.00 N ATOM 615 CA ASN A 42 0.124 5.157 -5.254 1.00 0.00 C ATOM 616 C ASN A 42 1.077 4.535 -4.234 1.00 0.00 C ATOM 617 O ASN A 42 1.951 5.207 -3.686 1.00 0.00 O ATOM 618 CB ASN A 42 0.375 4.602 -6.669 1.00 0.00 C ATOM 619 CG ASN A 42 1.815 4.783 -7.148 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.557 5.610 -6.628 1.00 0.00 O ATOM 621 ND2 ASN A 42 2.221 3.997 -8.146 1.00 0.00 N ATOM 0 H ASN A 42 1.062 6.972 -4.830 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.887 4.880 -4.955 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.126 3.541 -6.684 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.298 5.097 -7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.175 4.073 -8.499 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.578 3.320 -8.556 1.00 0.00 H new ATOM 628 N GLY A 43 0.887 3.231 -4.006 1.00 0.00 N ATOM 629 CA GLY A 43 1.683 2.389 -3.137 1.00 0.00 C ATOM 630 C GLY A 43 1.973 1.078 -3.859 1.00 0.00 C ATOM 631 O GLY A 43 1.050 0.321 -4.152 1.00 0.00 O ATOM 0 H GLY A 43 0.129 2.716 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.615 2.890 -2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.151 2.198 -2.205 1.00 0.00 H new ATOM 635 N THR A 44 3.255 0.816 -4.135 1.00 0.00 N ATOM 636 CA THR A 44 3.724 -0.419 -4.743 1.00 0.00 C ATOM 637 C THR A 44 4.250 -1.294 -3.612 1.00 0.00 C ATOM 638 O THR A 44 5.278 -0.975 -3.015 1.00 0.00 O ATOM 639 CB THR A 44 4.805 -0.109 -5.787 1.00 0.00 C ATOM 640 OG1 THR A 44 4.253 0.724 -6.789 1.00 0.00 O ATOM 641 CG2 THR A 44 5.336 -1.391 -6.439 1.00 0.00 C ATOM 0 H THR A 44 4.007 1.476 -3.935 1.00 0.00 H new ATOM 0 HA THR A 44 2.926 -0.942 -5.270 1.00 0.00 H new ATOM 0 HB THR A 44 5.634 0.389 -5.285 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.804 0.672 -7.598 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.100 -1.136 -7.173 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.769 -2.036 -5.674 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.517 -1.914 -6.934 1.00 0.00 H new ATOM 649 N VAL A 45 3.521 -2.377 -3.313 1.00 0.00 N ATOM 650 CA VAL A 45 3.751 -3.231 -2.158 1.00 0.00 C ATOM 651 C VAL A 45 4.069 -4.647 -2.635 1.00 0.00 C ATOM 652 O VAL A 45 3.254 -5.248 -3.333 1.00 0.00 O ATOM 653 CB VAL A 45 2.500 -3.245 -1.257 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.845 -3.905 0.083 1.00 0.00 C ATOM 655 CG2 VAL A 45 1.938 -1.839 -1.004 1.00 0.00 C ATOM 0 H VAL A 45 2.736 -2.685 -3.887 1.00 0.00 H new ATOM 0 HA VAL A 45 4.592 -2.846 -1.582 1.00 0.00 H new ATOM 0 HB VAL A 45 1.730 -3.813 -1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.962 -3.916 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.180 -4.928 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.639 -3.341 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.058 -1.908 -0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.696 -1.227 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.661 -1.382 -1.954 1.00 0.00 H new ATOM 665 N GLU A 46 5.236 -5.177 -2.245 1.00 0.00 N ATOM 666 CA GLU A 46 5.596 -6.576 -2.426 1.00 0.00 C ATOM 667 C GLU A 46 5.128 -7.328 -1.181 1.00 0.00 C ATOM 668 O GLU A 46 5.387 -6.877 -0.065 1.00 0.00 O ATOM 669 CB GLU A 46 7.109 -6.701 -2.623 1.00 0.00 C ATOM 670 CG GLU A 46 7.498 -8.106 -3.093 1.00 0.00 C ATOM 671 CD GLU A 46 9.014 -8.251 -3.179 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.617 -8.536 -2.121 1.00 0.00 O ATOM 673 OE2 GLU A 46 9.542 -8.073 -4.298 1.00 0.00 O ATOM 0 H GLU A 46 5.965 -4.629 -1.787 1.00 0.00 H new ATOM 0 HA GLU A 46 5.121 -6.999 -3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.444 -5.965 -3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.619 -6.475 -1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.096 -8.849 -2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.054 -8.303 -4.069 1.00 0.00 H new ATOM 680 N TYR A 47 4.427 -8.454 -1.365 1.00 0.00 N ATOM 681 CA TYR A 47 3.742 -9.142 -0.280 1.00 0.00 C ATOM 682 C TYR A 47 3.657 -10.652 -0.512 1.00 0.00 C ATOM 683 O TYR A 47 3.869 -11.131 -1.625 1.00 0.00 O ATOM 684 CB TYR A 47 2.338 -8.549 -0.113 1.00 0.00 C ATOM 685 CG TYR A 47 1.376 -8.923 -1.227 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.454 -8.277 -2.474 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.417 -9.934 -1.027 1.00 0.00 C ATOM 688 CE1 TYR A 47 0.620 -8.678 -3.530 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.426 -10.325 -2.081 1.00 0.00 C ATOM 690 CZ TYR A 47 -0.313 -9.709 -3.338 1.00 0.00 C ATOM 691 OH TYR A 47 -1.103 -10.110 -4.375 1.00 0.00 O ATOM 0 H TYR A 47 4.323 -8.908 -2.272 1.00 0.00 H new ATOM 0 HA TYR A 47 4.321 -8.994 0.631 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.924 -8.883 0.839 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.416 -7.463 -0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.157 -7.470 -2.620 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.329 -10.410 -0.062 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.696 -8.192 -4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.162 -11.100 -1.924 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.693 -10.833 -4.076 1.00 0.00 H new ATOM 701 N ASP A 48 3.329 -11.387 0.559 1.00 0.00 N ATOM 702 CA ASP A 48 3.046 -12.815 0.539 1.00 0.00 C ATOM 703 C ASP A 48 1.524 -13.031 0.573 1.00 0.00 C ATOM 704 O ASP A 48 0.908 -12.727 1.595 1.00 0.00 O ATOM 705 CB ASP A 48 3.714 -13.477 1.753 1.00 0.00 C ATOM 706 CG ASP A 48 3.435 -14.978 1.869 1.00 0.00 C ATOM 707 OD1 ASP A 48 2.877 -15.554 0.909 1.00 0.00 O ATOM 708 OD2 ASP A 48 3.788 -15.531 2.932 1.00 0.00 O ATOM 0 H ASP A 48 3.253 -10.983 1.492 1.00 0.00 H new ATOM 0 HA ASP A 48 3.443 -13.266 -0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.791 -13.321 1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.370 -12.982 2.661 1.00 0.00 H new ATOM 713 N PRO A 49 0.917 -13.565 -0.505 1.00 0.00 N ATOM 714 CA PRO A 49 -0.491 -13.948 -0.582 1.00 0.00 C ATOM 715 C PRO A 49 -1.036 -14.692 0.641 1.00 0.00 C ATOM 716 O PRO A 49 -2.175 -14.458 1.040 1.00 0.00 O ATOM 717 CB PRO A 49 -0.613 -14.807 -1.840 1.00 0.00 C ATOM 718 CG PRO A 49 0.440 -14.193 -2.753 1.00 0.00 C ATOM 719 CD PRO A 49 1.563 -13.843 -1.779 1.00 0.00 C ATOM 0 HA PRO A 49 -1.099 -13.044 -0.614 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.412 -15.859 -1.636 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.611 -14.752 -2.275 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.771 -14.895 -3.519 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.063 -13.311 -3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.270 -14.667 -1.686 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.126 -12.978 -2.128 1.00 0.00 H new ATOM 727 N LEU A 50 -0.240 -15.595 1.227 1.00 0.00 N ATOM 728 CA LEU A 50 -0.669 -16.410 2.354 1.00 0.00 C ATOM 729 C LEU A 50 -0.931 -15.562 3.605 1.00 0.00 C ATOM 730 O LEU A 50 -1.829 -15.888 4.378 1.00 0.00 O ATOM 731 CB LEU A 50 0.365 -17.507 2.653 1.00 0.00 C ATOM 732 CG LEU A 50 0.407 -18.622 1.590 1.00 0.00 C ATOM 733 CD1 LEU A 50 1.322 -18.300 0.402 1.00 0.00 C ATOM 734 CD2 LEU A 50 0.904 -19.921 2.236 1.00 0.00 C ATOM 0 H LEU A 50 0.718 -15.776 0.928 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.611 -16.882 2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.353 -17.052 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.142 -17.950 3.624 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.609 -18.720 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.303 -19.128 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.973 -17.393 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.341 -18.150 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.935 -20.712 1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.904 -19.766 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.227 -20.210 3.040 1.00 0.00 H new ATOM 746 N LEU A 51 -0.149 -14.494 3.811 1.00 0.00 N ATOM 747 CA LEU A 51 -0.174 -13.692 5.030 1.00 0.00 C ATOM 748 C LEU A 51 -0.973 -12.394 4.860 1.00 0.00 C ATOM 749 O LEU A 51 -1.549 -11.914 5.836 1.00 0.00 O ATOM 750 CB LEU A 51 1.265 -13.414 5.479 1.00 0.00 C ATOM 751 CG LEU A 51 2.039 -14.680 5.890 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.504 -14.315 6.155 1.00 0.00 C ATOM 753 CD2 LEU A 51 1.457 -15.334 7.150 1.00 0.00 C ATOM 0 H LEU A 51 0.527 -14.162 3.122 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.690 -14.259 5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.800 -12.918 4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.247 -12.721 6.320 1.00 0.00 H new ATOM 0 HG LEU A 51 1.956 -15.394 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.055 -15.209 6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.944 -13.896 5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.556 -13.579 6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.037 -16.223 7.400 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.500 -14.628 7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.420 -15.617 6.967 1.00 0.00 H new ATOM 765 N THR A 52 -1.026 -11.826 3.648 1.00 0.00 N ATOM 766 CA THR A 52 -1.830 -10.645 3.345 1.00 0.00 C ATOM 767 C THR A 52 -2.251 -10.670 1.873 1.00 0.00 C ATOM 768 O THR A 52 -1.829 -11.549 1.126 1.00 0.00 O ATOM 769 CB THR A 52 -1.068 -9.365 3.730 1.00 0.00 C ATOM 770 OG1 THR A 52 -1.920 -8.242 3.644 1.00 0.00 O ATOM 771 CG2 THR A 52 0.153 -9.124 2.840 1.00 0.00 C ATOM 0 H THR A 52 -0.505 -12.180 2.846 1.00 0.00 H new ATOM 0 HA THR A 52 -2.742 -10.653 3.941 1.00 0.00 H new ATOM 0 HB THR A 52 -0.723 -9.504 4.755 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.858 -7.852 2.747 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.656 -8.209 3.152 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.841 -9.965 2.930 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.167 -9.026 1.803 1.00 0.00 H new ATOM 779 N SER A 53 -3.091 -9.715 1.458 1.00 0.00 N ATOM 780 CA SER A 53 -3.684 -9.676 0.126 1.00 0.00 C ATOM 781 C SER A 53 -3.904 -8.225 -0.321 1.00 0.00 C ATOM 782 O SER A 53 -3.915 -7.330 0.524 1.00 0.00 O ATOM 783 CB SER A 53 -5.008 -10.450 0.155 1.00 0.00 C ATOM 784 OG SER A 53 -5.951 -9.785 0.971 1.00 0.00 O ATOM 0 H SER A 53 -3.379 -8.937 2.051 1.00 0.00 H new ATOM 0 HA SER A 53 -3.010 -10.141 -0.593 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.400 -10.550 -0.857 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.839 -11.459 0.532 1.00 0.00 H new ATOM 0 HG SER A 53 -6.791 -10.290 0.978 1.00 0.00 H new ATOM 790 N PRO A 54 -4.103 -7.970 -1.629 1.00 0.00 N ATOM 791 CA PRO A 54 -4.474 -6.659 -2.149 1.00 0.00 C ATOM 792 C PRO A 54 -5.724 -6.093 -1.468 1.00 0.00 C ATOM 793 O PRO A 54 -5.825 -4.885 -1.271 1.00 0.00 O ATOM 794 CB PRO A 54 -4.699 -6.854 -3.652 1.00 0.00 C ATOM 795 CG PRO A 54 -3.836 -8.068 -3.979 1.00 0.00 C ATOM 796 CD PRO A 54 -4.003 -8.921 -2.726 1.00 0.00 C ATOM 0 HA PRO A 54 -3.688 -5.930 -1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.749 -7.033 -3.882 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.393 -5.977 -4.222 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.182 -8.585 -4.874 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.795 -7.794 -4.151 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.895 -9.544 -2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.155 -9.592 -2.590 1.00 0.00 H new ATOM 804 N GLU A 55 -6.671 -6.969 -1.107 1.00 0.00 N ATOM 805 CA GLU A 55 -7.878 -6.609 -0.377 1.00 0.00 C ATOM 806 C GLU A 55 -7.523 -6.062 1.006 1.00 0.00 C ATOM 807 O GLU A 55 -8.022 -5.007 1.391 1.00 0.00 O ATOM 808 CB GLU A 55 -8.791 -7.835 -0.239 1.00 0.00 C ATOM 809 CG GLU A 55 -9.287 -8.358 -1.591 1.00 0.00 C ATOM 810 CD GLU A 55 -10.070 -9.656 -1.418 1.00 0.00 C ATOM 811 OE1 GLU A 55 -9.403 -10.706 -1.290 1.00 0.00 O ATOM 812 OE2 GLU A 55 -11.317 -9.576 -1.415 1.00 0.00 O ATOM 0 H GLU A 55 -6.612 -7.964 -1.322 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.404 -5.833 -0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.251 -8.629 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.648 -7.576 0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.919 -7.608 -2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.438 -8.526 -2.254 1.00 0.00 H new ATOM 819 N THR A 56 -6.668 -6.775 1.751 1.00 0.00 N ATOM 820 CA THR A 56 -6.246 -6.373 3.088 1.00 0.00 C ATOM 821 C THR A 56 -5.499 -5.037 3.033 1.00 0.00 C ATOM 822 O THR A 56 -5.755 -4.148 3.844 1.00 0.00 O ATOM 823 CB THR A 56 -5.371 -7.469 3.717 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.011 -8.725 3.629 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.090 -7.179 5.195 1.00 0.00 C ATOM 0 H THR A 56 -6.251 -7.651 1.436 1.00 0.00 H new ATOM 0 HA THR A 56 -7.129 -6.239 3.713 1.00 0.00 H new ATOM 0 HB THR A 56 -4.431 -7.484 3.165 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.927 -9.072 2.716 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.469 -7.973 5.610 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.569 -6.226 5.286 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.032 -7.132 5.742 1.00 0.00 H new ATOM 833 N LEU A 57 -4.579 -4.902 2.071 1.00 0.00 N ATOM 834 CA LEU A 57 -3.790 -3.697 1.869 1.00 0.00 C ATOM 835 C LEU A 57 -4.699 -2.502 1.567 1.00 0.00 C ATOM 836 O LEU A 57 -4.573 -1.467 2.216 1.00 0.00 O ATOM 837 CB LEU A 57 -2.758 -3.932 0.758 1.00 0.00 C ATOM 838 CG LEU A 57 -1.656 -4.927 1.166 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.907 -5.420 -0.077 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.648 -4.275 2.121 1.00 0.00 C ATOM 0 H LEU A 57 -4.364 -5.643 1.404 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.248 -3.461 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.267 -4.305 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.300 -2.981 0.487 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.136 -5.764 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.130 -6.123 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.606 -5.916 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.452 -4.572 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.118 -5.001 2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.181 -3.421 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.164 -3.939 3.020 1.00 0.00 H new ATOM 852 N ARG A 58 -5.628 -2.643 0.612 1.00 0.00 N ATOM 853 CA ARG A 58 -6.644 -1.627 0.351 1.00 0.00 C ATOM 854 C ARG A 58 -7.435 -1.306 1.619 1.00 0.00 C ATOM 855 O ARG A 58 -7.708 -0.140 1.885 1.00 0.00 O ATOM 856 CB ARG A 58 -7.602 -2.085 -0.751 1.00 0.00 C ATOM 857 CG ARG A 58 -6.994 -1.892 -2.143 1.00 0.00 C ATOM 858 CD ARG A 58 -7.963 -2.421 -3.198 1.00 0.00 C ATOM 859 NE ARG A 58 -8.011 -3.887 -3.170 1.00 0.00 N ATOM 860 CZ ARG A 58 -8.850 -4.643 -3.896 1.00 0.00 C ATOM 861 NH1 ARG A 58 -9.767 -4.079 -4.694 1.00 0.00 N ATOM 862 NH2 ARG A 58 -8.765 -5.976 -3.823 1.00 0.00 N ATOM 0 H ARG A 58 -5.693 -3.460 0.005 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.129 -0.725 0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.850 -3.136 -0.604 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.534 -1.524 -0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.789 -0.836 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.042 -2.418 -2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -8.959 -2.016 -3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.653 -2.081 -4.186 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.358 -4.368 -2.552 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.834 -3.063 -4.755 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.398 -4.666 -5.240 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.067 -6.410 -3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.398 -6.558 -4.371 1.00 0.00 H new ATOM 876 N GLY A 59 -7.792 -2.335 2.397 1.00 0.00 N ATOM 877 CA GLY A 59 -8.445 -2.195 3.690 1.00 0.00 C ATOM 878 C GLY A 59 -7.694 -1.228 4.609 1.00 0.00 C ATOM 879 O GLY A 59 -8.312 -0.361 5.223 1.00 0.00 O ATOM 0 H GLY A 59 -7.628 -3.307 2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.465 -1.839 3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.514 -3.172 4.169 1.00 0.00 H new ATOM 883 N ALA A 60 -6.364 -1.367 4.696 1.00 0.00 N ATOM 884 CA ALA A 60 -5.525 -0.487 5.500 1.00 0.00 C ATOM 885 C ALA A 60 -5.609 0.960 5.005 1.00 0.00 C ATOM 886 O ALA A 60 -5.813 1.869 5.805 1.00 0.00 O ATOM 887 CB ALA A 60 -4.079 -0.990 5.511 1.00 0.00 C ATOM 0 H ALA A 60 -5.845 -2.096 4.207 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.896 -0.502 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.466 -0.322 6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.046 -1.994 5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.694 -1.013 4.492 1.00 0.00 H new ATOM 893 N ILE A 61 -5.465 1.180 3.692 1.00 0.00 N ATOM 894 CA ILE A 61 -5.554 2.510 3.095 1.00 0.00 C ATOM 895 C ILE A 61 -6.934 3.137 3.335 1.00 0.00 C ATOM 896 O ILE A 61 -7.030 4.334 3.600 1.00 0.00 O ATOM 897 CB ILE A 61 -5.224 2.441 1.593 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.832 1.858 1.293 1.00 0.00 C ATOM 899 CG2 ILE A 61 -5.352 3.826 0.946 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.685 2.563 2.019 1.00 0.00 C ATOM 0 H ILE A 61 -5.283 0.437 3.017 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.819 3.154 3.578 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.954 1.757 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.826 0.803 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.653 1.910 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.115 3.755 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.372 4.191 1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.660 4.518 1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.740 2.090 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.660 3.613 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.836 2.489 3.096 1.00 0.00 H new ATOM 912 N GLU A 62 -8.000 2.334 3.243 1.00 0.00 N ATOM 913 CA GLU A 62 -9.367 2.769 3.488 1.00 0.00 C ATOM 914 C GLU A 62 -9.533 3.194 4.949 1.00 0.00 C ATOM 915 O GLU A 62 -10.130 4.233 5.221 1.00 0.00 O ATOM 916 CB GLU A 62 -10.331 1.640 3.101 1.00 0.00 C ATOM 917 CG GLU A 62 -11.797 2.072 3.208 1.00 0.00 C ATOM 918 CD GLU A 62 -12.727 0.952 2.751 1.00 0.00 C ATOM 919 OE1 GLU A 62 -13.001 0.065 3.588 1.00 0.00 O ATOM 920 OE2 GLU A 62 -13.143 1.001 1.573 1.00 0.00 O ATOM 0 H GLU A 62 -7.929 1.348 2.992 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.600 3.639 2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.122 1.319 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.159 0.779 3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.026 2.344 4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.964 2.961 2.599 1.00 0.00 H new ATOM 927 N ASP A 63 -8.997 2.397 5.883 1.00 0.00 N ATOM 928 CA ASP A 63 -9.014 2.695 7.310 1.00 0.00 C ATOM 929 C ASP A 63 -8.289 4.013 7.602 1.00 0.00 C ATOM 930 O ASP A 63 -8.804 4.840 8.351 1.00 0.00 O ATOM 931 CB ASP A 63 -8.397 1.528 8.091 1.00 0.00 C ATOM 932 CG ASP A 63 -8.399 1.795 9.593 1.00 0.00 C ATOM 933 OD1 ASP A 63 -9.471 1.598 10.205 1.00 0.00 O ATOM 934 OD2 ASP A 63 -7.329 2.193 10.102 1.00 0.00 O ATOM 0 H ASP A 63 -8.534 1.516 5.659 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.047 2.817 7.635 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.954 0.615 7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.375 1.362 7.752 1.00 0.00 H new ATOM 939 N MET A 64 -7.106 4.209 7.004 1.00 0.00 N ATOM 940 CA MET A 64 -6.352 5.453 7.104 1.00 0.00 C ATOM 941 C MET A 64 -7.171 6.627 6.553 1.00 0.00 C ATOM 942 O MET A 64 -7.215 7.685 7.176 1.00 0.00 O ATOM 943 CB MET A 64 -5.016 5.321 6.362 1.00 0.00 C ATOM 944 CG MET A 64 -4.028 4.381 7.065 1.00 0.00 C ATOM 945 SD MET A 64 -3.303 5.008 8.604 1.00 0.00 S ATOM 946 CE MET A 64 -2.135 6.225 7.942 1.00 0.00 C ATOM 0 H MET A 64 -6.647 3.499 6.434 1.00 0.00 H new ATOM 0 HA MET A 64 -6.144 5.653 8.155 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.202 4.954 5.353 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.563 6.307 6.264 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.539 3.443 7.282 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.219 4.150 6.372 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.149 6.054 8.373 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.080 6.124 6.858 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.473 7.230 8.196 1.00 0.00 H new ATOM 956 N GLY A 65 -7.826 6.429 5.400 1.00 0.00 N ATOM 957 CA GLY A 65 -8.791 7.357 4.830 1.00 0.00 C ATOM 958 C GLY A 65 -8.296 7.964 3.521 1.00 0.00 C ATOM 959 O GLY A 65 -8.162 9.182 3.426 1.00 0.00 O ATOM 0 H GLY A 65 -7.690 5.595 4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.733 6.838 4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.994 8.154 5.545 1.00 0.00 H new ATOM 963 N PHE A 66 -8.048 7.118 2.511 1.00 0.00 N ATOM 964 CA PHE A 66 -7.717 7.544 1.153 1.00 0.00 C ATOM 965 C PHE A 66 -8.422 6.633 0.146 1.00 0.00 C ATOM 966 O PHE A 66 -8.861 5.538 0.500 1.00 0.00 O ATOM 967 CB PHE A 66 -6.198 7.521 0.935 1.00 0.00 C ATOM 968 CG PHE A 66 -5.398 8.206 2.024 1.00 0.00 C ATOM 969 CD1 PHE A 66 -5.323 9.610 2.066 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.742 7.441 3.006 1.00 0.00 C ATOM 971 CE1 PHE A 66 -4.617 10.249 3.101 1.00 0.00 C ATOM 972 CE2 PHE A 66 -4.019 8.080 4.025 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.981 9.481 4.091 1.00 0.00 C ATOM 0 H PHE A 66 -8.073 6.104 2.621 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.060 8.568 1.006 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.870 6.484 0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.973 7.998 -0.019 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.809 10.199 1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.795 6.363 2.976 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.564 11.327 3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.490 7.492 4.760 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.463 9.969 4.903 1.00 0.00 H new ATOM 983 N ASP A 67 -8.528 7.087 -1.109 1.00 0.00 N ATOM 984 CA ASP A 67 -9.164 6.332 -2.180 1.00 0.00 C ATOM 985 C ASP A 67 -8.252 5.176 -2.594 1.00 0.00 C ATOM 986 O ASP A 67 -7.254 5.390 -3.280 1.00 0.00 O ATOM 987 CB ASP A 67 -9.472 7.261 -3.358 1.00 0.00 C ATOM 988 CG ASP A 67 -10.010 6.488 -4.561 1.00 0.00 C ATOM 989 OD1 ASP A 67 -11.141 5.968 -4.443 1.00 0.00 O ATOM 990 OD2 ASP A 67 -9.280 6.426 -5.574 1.00 0.00 O ATOM 0 H ASP A 67 -8.170 7.995 -1.405 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.109 5.913 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.202 8.009 -3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.567 7.797 -3.645 1.00 0.00 H new ATOM 995 N ALA A 68 -8.613 3.963 -2.157 1.00 0.00 N ATOM 996 CA ALA A 68 -7.848 2.738 -2.323 1.00 0.00 C ATOM 997 C ALA A 68 -8.453 1.887 -3.441 1.00 0.00 C ATOM 998 O ALA A 68 -9.541 1.340 -3.268 1.00 0.00 O ATOM 999 CB ALA A 68 -7.890 1.975 -0.996 1.00 0.00 C ATOM 0 H ALA A 68 -9.488 3.811 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.818 2.968 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.323 1.049 -1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.453 2.589 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.924 1.743 -0.742 1.00 0.00 H new ATOM 1005 N THR A 69 -7.763 1.764 -4.582 1.00 0.00 N ATOM 1006 CA THR A 69 -8.204 0.902 -5.679 1.00 0.00 C ATOM 1007 C THR A 69 -6.994 0.386 -6.457 1.00 0.00 C ATOM 1008 O THR A 69 -6.003 1.095 -6.582 1.00 0.00 O ATOM 1009 CB THR A 69 -9.223 1.637 -6.568 1.00 0.00 C ATOM 1010 OG1 THR A 69 -9.693 0.770 -7.580 1.00 0.00 O ATOM 1011 CG2 THR A 69 -8.664 2.910 -7.214 1.00 0.00 C ATOM 0 H THR A 69 -6.889 2.257 -4.767 1.00 0.00 H new ATOM 0 HA THR A 69 -8.719 0.030 -5.276 1.00 0.00 H new ATOM 0 HB THR A 69 -10.037 1.943 -5.911 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.342 1.244 -8.141 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.436 3.376 -7.826 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.349 3.605 -6.436 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.809 2.655 -7.840 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.061 -0.847 -6.975 1.00 0.00 N ATOM 1020 CA LEU A 70 -5.928 -1.483 -7.641 1.00 0.00 C ATOM 1021 C LEU A 70 -5.688 -0.892 -9.030 1.00 0.00 C ATOM 1022 O LEU A 70 -6.635 -0.541 -9.733 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.138 -3.001 -7.752 1.00 0.00 C ATOM 1024 CG LEU A 70 -6.425 -3.696 -6.412 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -6.521 -5.211 -6.622 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -5.344 -3.402 -5.366 1.00 0.00 C ATOM 0 H LEU A 70 -7.900 -1.426 -6.942 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.047 -1.290 -7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.967 -3.193 -8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.249 -3.448 -8.197 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.371 -3.303 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.725 -5.698 -5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.328 -5.431 -7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.579 -5.583 -7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.589 -3.914 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.379 -3.755 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.294 -2.328 -5.187 1.00 0.00 H new