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 53 SER OG : rot 180:sc= 1.05 USER MOD Set 1.2: A 56 THR OG1 : rot 78:sc= 0.997 USER MOD Set 2.1: A 37 SER OG : rot -170:sc= 1.11 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.725 K(o=1.8,f=0.23) USER MOD Set 3.1: A 14 CYS SG : rot 180:sc= 0.205 USER MOD Set 3.2: A 16 SER OG : rot 94:sc= 0.139 USER MOD Single : A 2 THR OG1 : rot -26:sc= 0.105 USER MOD Single : A 3 GLN : amide:sc= 0.671 K(o=0.67,f=-0.015) USER MOD Single : A 5 THR OG1 : rot -130:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 12 MET CE :methyl -171:sc= -0.105 (180deg=-0.215) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc=-8.49e-05 K(o=-8.5e-05,f=-0.71) USER MOD Single : A 17 CYS SG : rot -93:sc= 0.0215 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -78:sc= 0.593 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0.393 (180deg=0.393) USER MOD Single : A 28 LYS NZ :NH3+ -169:sc=-0.00134 (180deg=-0.122) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc=-0.00474 (180deg=-0.161) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 10:sc= 0.8 USER MOD Single : A 42 ASN : amide:sc= -0.29 K(o=-0.29,f=-2.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 166:sc= -0.0153 (180deg=-0.336) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N THR A 2 6.178 -15.204 -3.261 1.00 0.00 N ATOM 23 CA THR A 2 5.758 -13.852 -2.919 1.00 0.00 C ATOM 24 C THR A 2 5.416 -13.093 -4.202 1.00 0.00 C ATOM 25 O THR A 2 5.891 -13.453 -5.279 1.00 0.00 O ATOM 26 CB THR A 2 6.877 -13.157 -2.132 1.00 0.00 C ATOM 27 OG1 THR A 2 8.067 -13.128 -2.893 1.00 0.00 O ATOM 28 CG2 THR A 2 7.151 -13.877 -0.809 1.00 0.00 C ATOM 0 HA THR A 2 4.868 -13.875 -2.290 1.00 0.00 H new ATOM 0 HB THR A 2 6.548 -12.140 -1.921 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.064 -13.869 -3.534 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.948 -13.362 -0.273 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.246 -13.877 -0.201 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.454 -14.905 -1.010 1.00 0.00 H new ATOM 36 N GLN A 3 4.579 -12.055 -4.086 1.00 0.00 N ATOM 37 CA GLN A 3 4.040 -11.295 -5.207 1.00 0.00 C ATOM 38 C GLN A 3 4.160 -9.798 -4.929 1.00 0.00 C ATOM 39 O GLN A 3 4.279 -9.387 -3.777 1.00 0.00 O ATOM 40 CB GLN A 3 2.564 -11.670 -5.408 1.00 0.00 C ATOM 41 CG GLN A 3 2.347 -13.116 -5.875 1.00 0.00 C ATOM 42 CD GLN A 3 2.801 -13.337 -7.316 1.00 0.00 C ATOM 43 OE1 GLN A 3 2.023 -13.146 -8.247 1.00 0.00 O ATOM 44 NE2 GLN A 3 4.056 -13.746 -7.512 1.00 0.00 N ATOM 0 H GLN A 3 4.252 -11.715 -3.181 1.00 0.00 H new ATOM 0 HA GLN A 3 4.604 -11.531 -6.109 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.030 -11.518 -4.470 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.124 -10.992 -6.140 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.892 -13.793 -5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.290 -13.369 -5.787 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.674 -13.894 -6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.397 -13.910 -8.459 1.00 0.00 H new ATOM 53 N GLU A 4 4.111 -8.990 -5.996 1.00 0.00 N ATOM 54 CA GLU A 4 4.069 -7.537 -5.927 1.00 0.00 C ATOM 55 C GLU A 4 2.719 -7.057 -6.459 1.00 0.00 C ATOM 56 O GLU A 4 2.165 -7.665 -7.375 1.00 0.00 O ATOM 57 CB GLU A 4 5.235 -6.937 -6.725 1.00 0.00 C ATOM 58 CG GLU A 4 5.388 -5.435 -6.450 1.00 0.00 C ATOM 59 CD GLU A 4 6.614 -4.861 -7.153 1.00 0.00 C ATOM 60 OE1 GLU A 4 7.700 -4.912 -6.535 1.00 0.00 O ATOM 61 OE2 GLU A 4 6.443 -4.383 -8.295 1.00 0.00 O ATOM 0 H GLU A 4 4.099 -9.345 -6.952 1.00 0.00 H new ATOM 0 HA GLU A 4 4.176 -7.206 -4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.159 -7.452 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.070 -7.098 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.495 -4.909 -6.787 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.471 -5.267 -5.376 1.00 0.00 H new ATOM 68 N THR A 5 2.193 -5.972 -5.881 1.00 0.00 N ATOM 69 CA THR A 5 0.955 -5.339 -6.312 1.00 0.00 C ATOM 70 C THR A 5 1.115 -3.821 -6.263 1.00 0.00 C ATOM 71 O THR A 5 1.942 -3.310 -5.509 1.00 0.00 O ATOM 72 CB THR A 5 -0.222 -5.829 -5.452 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.443 -5.352 -5.975 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.109 -5.395 -3.985 1.00 0.00 C ATOM 0 H THR A 5 2.629 -5.505 -5.086 1.00 0.00 H new ATOM 0 HA THR A 5 0.735 -5.618 -7.342 1.00 0.00 H new ATOM 0 HB THR A 5 -0.192 -6.918 -5.483 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.968 -4.940 -5.257 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.967 -5.770 -3.428 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.807 -5.800 -3.555 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.087 -4.307 -3.928 1.00 0.00 H new ATOM 82 N VAL A 6 0.316 -3.118 -7.072 1.00 0.00 N ATOM 83 CA VAL A 6 0.238 -1.666 -7.111 1.00 0.00 C ATOM 84 C VAL A 6 -1.201 -1.282 -6.778 1.00 0.00 C ATOM 85 O VAL A 6 -2.138 -1.846 -7.342 1.00 0.00 O ATOM 86 CB VAL A 6 0.668 -1.127 -8.487 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.713 0.408 -8.469 1.00 0.00 C ATOM 88 CG2 VAL A 6 2.055 -1.650 -8.881 1.00 0.00 C ATOM 0 H VAL A 6 -0.313 -3.566 -7.738 1.00 0.00 H new ATOM 0 HA VAL A 6 0.920 -1.223 -6.385 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.066 -1.473 -9.215 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.019 0.775 -9.449 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.276 0.798 -8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.428 0.742 -7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.330 -1.251 -9.857 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.788 -1.332 -8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.034 -2.739 -8.926 1.00 0.00 H new ATOM 98 N ILE A 7 -1.364 -0.333 -5.852 1.00 0.00 N ATOM 99 CA ILE A 7 -2.650 0.155 -5.379 1.00 0.00 C ATOM 100 C ILE A 7 -2.607 1.677 -5.492 1.00 0.00 C ATOM 101 O ILE A 7 -1.751 2.303 -4.876 1.00 0.00 O ATOM 102 CB ILE A 7 -2.876 -0.315 -3.925 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.777 -1.852 -3.839 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.236 0.171 -3.399 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.022 -2.401 -2.432 1.00 0.00 C ATOM 0 H ILE A 7 -0.574 0.128 -5.400 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.482 -0.233 -5.967 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.097 0.119 -3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.501 -2.294 -4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.788 -2.164 -4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.373 -0.172 -2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.268 1.260 -3.425 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.033 -0.230 -4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.937 -3.488 -2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.282 -1.988 -1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.021 -2.119 -2.101 1.00 0.00 H new ATOM 117 N ASN A 8 -3.515 2.273 -6.272 1.00 0.00 N ATOM 118 CA ASN A 8 -3.635 3.722 -6.381 1.00 0.00 C ATOM 119 C ASN A 8 -4.296 4.254 -5.113 1.00 0.00 C ATOM 120 O ASN A 8 -5.284 3.684 -4.654 1.00 0.00 O ATOM 121 CB ASN A 8 -4.450 4.108 -7.620 1.00 0.00 C ATOM 122 CG ASN A 8 -3.758 3.716 -8.925 1.00 0.00 C ATOM 123 OD1 ASN A 8 -2.538 3.577 -8.978 1.00 0.00 O ATOM 124 ND2 ASN A 8 -4.542 3.523 -9.987 1.00 0.00 N ATOM 0 H ASN A 8 -4.186 1.760 -6.844 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.644 4.163 -6.490 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.427 3.626 -7.572 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.625 5.184 -7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.132 3.251 -10.881 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.551 3.648 -9.905 1.00 0.00 H new ATOM 131 N ILE A 9 -3.739 5.333 -4.550 1.00 0.00 N ATOM 132 CA ILE A 9 -4.181 5.924 -3.296 1.00 0.00 C ATOM 133 C ILE A 9 -4.469 7.401 -3.555 1.00 0.00 C ATOM 134 O ILE A 9 -3.548 8.183 -3.782 1.00 0.00 O ATOM 135 CB ILE A 9 -3.121 5.751 -2.187 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.588 4.310 -2.090 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.742 6.178 -0.846 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.352 4.208 -1.191 1.00 0.00 C ATOM 0 H ILE A 9 -2.950 5.826 -4.969 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.081 5.420 -2.944 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.266 6.379 -2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.372 3.660 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.340 3.949 -3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.006 6.062 -0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.052 7.221 -0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.609 5.554 -0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.013 3.173 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.557 4.836 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.605 4.543 -0.185 1.00 0.00 H new ATOM 150 N ASP A 10 -5.750 7.776 -3.503 1.00 0.00 N ATOM 151 CA ASP A 10 -6.201 9.155 -3.604 1.00 0.00 C ATOM 152 C ASP A 10 -6.479 9.676 -2.191 1.00 0.00 C ATOM 153 O ASP A 10 -6.778 8.901 -1.284 1.00 0.00 O ATOM 154 CB ASP A 10 -7.433 9.214 -4.518 1.00 0.00 C ATOM 155 CG ASP A 10 -8.087 10.593 -4.524 1.00 0.00 C ATOM 156 OD1 ASP A 10 -7.422 11.535 -5.006 1.00 0.00 O ATOM 157 OD2 ASP A 10 -9.236 10.681 -4.039 1.00 0.00 O ATOM 0 H ASP A 10 -6.514 7.110 -3.387 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.442 9.797 -4.051 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.141 8.949 -5.534 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.161 8.471 -4.191 1.00 0.00 H new ATOM 162 N GLY A 11 -6.354 10.995 -2.008 1.00 0.00 N ATOM 163 CA GLY A 11 -6.503 11.658 -0.721 1.00 0.00 C ATOM 164 C GLY A 11 -5.161 11.902 -0.024 1.00 0.00 C ATOM 165 O GLY A 11 -5.152 12.433 1.086 1.00 0.00 O ATOM 0 H GLY A 11 -6.142 11.639 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.012 12.611 -0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.138 11.051 -0.076 1.00 0.00 H new ATOM 169 N MET A 12 -4.033 11.541 -0.655 1.00 0.00 N ATOM 170 CA MET A 12 -2.710 11.826 -0.120 1.00 0.00 C ATOM 171 C MET A 12 -2.383 13.285 -0.427 1.00 0.00 C ATOM 172 O MET A 12 -2.060 13.624 -1.563 1.00 0.00 O ATOM 173 CB MET A 12 -1.656 10.878 -0.709 1.00 0.00 C ATOM 174 CG MET A 12 -1.939 9.421 -0.327 1.00 0.00 C ATOM 175 SD MET A 12 -0.541 8.280 -0.514 1.00 0.00 S ATOM 176 CE MET A 12 -0.175 8.480 -2.271 1.00 0.00 C ATOM 0 H MET A 12 -4.021 11.046 -1.547 1.00 0.00 H new ATOM 0 HA MET A 12 -2.701 11.665 0.958 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.643 10.975 -1.795 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.667 11.164 -0.352 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.272 9.394 0.711 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.766 9.058 -0.937 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.554 7.730 -2.579 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.090 8.356 -2.850 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.233 9.475 -2.447 1.00 0.00 H new ATOM 186 N THR A 13 -2.490 14.146 0.591 1.00 0.00 N ATOM 187 CA THR A 13 -2.358 15.587 0.436 1.00 0.00 C ATOM 188 C THR A 13 -0.894 16.031 0.474 1.00 0.00 C ATOM 189 O THR A 13 -0.556 17.035 -0.151 1.00 0.00 O ATOM 190 CB THR A 13 -3.214 16.315 1.488 1.00 0.00 C ATOM 191 OG1 THR A 13 -3.253 17.696 1.193 1.00 0.00 O ATOM 192 CG2 THR A 13 -2.717 16.127 2.926 1.00 0.00 C ATOM 0 H THR A 13 -2.672 13.853 1.551 1.00 0.00 H new ATOM 0 HA THR A 13 -2.733 15.862 -0.550 1.00 0.00 H new ATOM 0 HB THR A 13 -4.208 15.870 1.435 1.00 0.00 H new ATOM 0 HG1 THR A 13 -3.799 18.158 1.862 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.370 16.669 3.610 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.726 15.067 3.178 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.701 16.512 3.013 1.00 0.00 H new ATOM 200 N CYS A 14 -0.027 15.308 1.198 1.00 0.00 N ATOM 201 CA CYS A 14 1.385 15.670 1.315 1.00 0.00 C ATOM 202 C CYS A 14 2.220 14.455 1.736 1.00 0.00 C ATOM 203 O CYS A 14 1.686 13.367 1.947 1.00 0.00 O ATOM 204 CB CYS A 14 1.557 16.849 2.292 1.00 0.00 C ATOM 205 SG CYS A 14 1.389 16.353 4.019 1.00 0.00 S ATOM 0 H CYS A 14 -0.285 14.466 1.712 1.00 0.00 H new ATOM 0 HA CYS A 14 1.749 15.993 0.340 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.538 17.300 2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.816 17.615 2.065 1.00 0.00 H new ATOM 0 HG CYS A 14 1.547 17.391 4.786 1.00 0.00 H new ATOM 210 N ASN A 15 3.539 14.658 1.857 1.00 0.00 N ATOM 211 CA ASN A 15 4.524 13.622 2.158 1.00 0.00 C ATOM 212 C ASN A 15 4.267 12.912 3.492 1.00 0.00 C ATOM 213 O ASN A 15 4.668 11.762 3.651 1.00 0.00 O ATOM 214 CB ASN A 15 5.935 14.229 2.150 1.00 0.00 C ATOM 215 CG ASN A 15 6.347 14.792 0.788 1.00 0.00 C ATOM 216 OD1 ASN A 15 5.714 14.524 -0.231 1.00 0.00 O ATOM 217 ND2 ASN A 15 7.421 15.583 0.768 1.00 0.00 N ATOM 0 H ASN A 15 3.959 15.581 1.743 1.00 0.00 H new ATOM 0 HA ASN A 15 4.433 12.865 1.379 1.00 0.00 H new ATOM 0 HB2 ASN A 15 5.984 15.024 2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.652 13.466 2.451 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.741 15.987 -0.112 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.922 15.784 1.633 1.00 0.00 H new ATOM 224 N SER A 16 3.604 13.572 4.449 1.00 0.00 N ATOM 225 CA SER A 16 3.211 12.961 5.713 1.00 0.00 C ATOM 226 C SER A 16 2.364 11.706 5.481 1.00 0.00 C ATOM 227 O SER A 16 2.548 10.703 6.169 1.00 0.00 O ATOM 228 CB SER A 16 2.447 13.978 6.566 1.00 0.00 C ATOM 229 OG SER A 16 3.214 15.154 6.715 1.00 0.00 O ATOM 0 H SER A 16 3.326 14.550 4.363 1.00 0.00 H new ATOM 0 HA SER A 16 4.113 12.657 6.245 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.492 14.214 6.097 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.226 13.552 7.544 1.00 0.00 H new ATOM 0 HG SER A 16 2.957 15.802 6.026 1.00 0.00 H new ATOM 235 N CYS A 17 1.446 11.758 4.506 1.00 0.00 N ATOM 236 CA CYS A 17 0.613 10.621 4.143 1.00 0.00 C ATOM 237 C CYS A 17 1.489 9.484 3.623 1.00 0.00 C ATOM 238 O CYS A 17 1.385 8.363 4.110 1.00 0.00 O ATOM 239 CB CYS A 17 -0.427 11.017 3.095 1.00 0.00 C ATOM 240 SG CYS A 17 -1.535 12.363 3.575 1.00 0.00 S ATOM 0 H CYS A 17 1.266 12.594 3.951 1.00 0.00 H new ATOM 0 HA CYS A 17 0.080 10.283 5.032 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.093 11.305 2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.029 10.141 2.856 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.618 11.868 4.097 1.00 0.00 H new ATOM 245 N VAL A 18 2.358 9.783 2.649 1.00 0.00 N ATOM 246 CA VAL A 18 3.290 8.828 2.061 1.00 0.00 C ATOM 247 C VAL A 18 4.064 8.098 3.161 1.00 0.00 C ATOM 248 O VAL A 18 4.058 6.870 3.212 1.00 0.00 O ATOM 249 CB VAL A 18 4.237 9.554 1.086 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.313 8.621 0.521 1.00 0.00 C ATOM 251 CG2 VAL A 18 3.456 10.154 -0.088 1.00 0.00 C ATOM 0 H VAL A 18 2.430 10.716 2.243 1.00 0.00 H new ATOM 0 HA VAL A 18 2.735 8.079 1.496 1.00 0.00 H new ATOM 0 HB VAL A 18 4.721 10.343 1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.956 9.178 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.912 8.219 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.837 7.801 -0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.146 10.661 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.941 9.359 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.725 10.869 0.289 1.00 0.00 H new ATOM 261 N GLN A 19 4.716 8.868 4.039 1.00 0.00 N ATOM 262 CA GLN A 19 5.531 8.368 5.134 1.00 0.00 C ATOM 263 C GLN A 19 4.720 7.456 6.056 1.00 0.00 C ATOM 264 O GLN A 19 5.130 6.325 6.313 1.00 0.00 O ATOM 265 CB GLN A 19 6.124 9.565 5.891 1.00 0.00 C ATOM 266 CG GLN A 19 7.084 9.127 7.003 1.00 0.00 C ATOM 267 CD GLN A 19 7.690 10.333 7.715 1.00 0.00 C ATOM 268 OE1 GLN A 19 7.346 10.621 8.858 1.00 0.00 O ATOM 269 NE2 GLN A 19 8.597 11.044 7.040 1.00 0.00 N ATOM 0 H GLN A 19 4.685 9.887 4.000 1.00 0.00 H new ATOM 0 HA GLN A 19 6.344 7.759 4.739 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.653 10.211 5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.316 10.157 6.322 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.551 8.506 7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.879 8.514 6.580 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.856 10.772 6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.031 11.859 7.473 1.00 0.00 H new ATOM 278 N SER A 20 3.579 7.948 6.556 1.00 0.00 N ATOM 279 CA SER A 20 2.746 7.220 7.505 1.00 0.00 C ATOM 280 C SER A 20 2.249 5.899 6.914 1.00 0.00 C ATOM 281 O SER A 20 2.414 4.857 7.543 1.00 0.00 O ATOM 282 CB SER A 20 1.593 8.103 7.996 1.00 0.00 C ATOM 283 OG SER A 20 0.786 8.539 6.924 1.00 0.00 O ATOM 0 H SER A 20 3.212 8.867 6.309 1.00 0.00 H new ATOM 0 HA SER A 20 3.356 6.964 8.371 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.984 7.546 8.709 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.994 8.967 8.526 1.00 0.00 H new ATOM 0 HG SER A 20 1.229 9.281 6.462 1.00 0.00 H new ATOM 289 N ILE A 21 1.657 5.936 5.713 1.00 0.00 N ATOM 290 CA ILE A 21 1.162 4.751 5.023 1.00 0.00 C ATOM 291 C ILE A 21 2.296 3.738 4.864 1.00 0.00 C ATOM 292 O ILE A 21 2.154 2.594 5.287 1.00 0.00 O ATOM 293 CB ILE A 21 0.544 5.124 3.662 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.700 6.016 3.837 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.142 3.851 2.898 1.00 0.00 C ATOM 296 CD1 ILE A 21 -1.033 6.750 2.535 1.00 0.00 C ATOM 0 H ILE A 21 1.510 6.801 5.193 1.00 0.00 H new ATOM 0 HA ILE A 21 0.372 4.295 5.620 1.00 0.00 H new ATOM 0 HB ILE A 21 1.296 5.677 3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.550 5.406 4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.524 6.740 4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.294 4.126 1.937 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.024 3.232 2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.589 3.292 3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.915 7.373 2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.190 7.377 2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.231 6.023 1.748 1.00 0.00 H new ATOM 308 N GLU A 22 3.413 4.161 4.259 1.00 0.00 N ATOM 309 CA GLU A 22 4.558 3.302 3.994 1.00 0.00 C ATOM 310 C GLU A 22 5.013 2.598 5.276 1.00 0.00 C ATOM 311 O GLU A 22 5.116 1.373 5.302 1.00 0.00 O ATOM 312 CB GLU A 22 5.677 4.135 3.353 1.00 0.00 C ATOM 313 CG GLU A 22 6.811 3.260 2.812 1.00 0.00 C ATOM 314 CD GLU A 22 7.824 4.089 2.029 1.00 0.00 C ATOM 315 OE1 GLU A 22 7.455 4.537 0.921 1.00 0.00 O ATOM 316 OE2 GLU A 22 8.947 4.263 2.550 1.00 0.00 O ATOM 0 H GLU A 22 3.542 5.121 3.939 1.00 0.00 H new ATOM 0 HA GLU A 22 4.279 2.516 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.263 4.733 2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.077 4.831 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.311 2.757 3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.399 2.483 2.169 1.00 0.00 H new ATOM 323 N GLY A 23 5.260 3.375 6.337 1.00 0.00 N ATOM 324 CA GLY A 23 5.707 2.877 7.628 1.00 0.00 C ATOM 325 C GLY A 23 4.733 1.863 8.229 1.00 0.00 C ATOM 326 O GLY A 23 5.135 0.750 8.556 1.00 0.00 O ATOM 0 H GLY A 23 5.150 4.389 6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.687 2.413 7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.827 3.714 8.316 1.00 0.00 H new ATOM 330 N VAL A 24 3.461 2.248 8.381 1.00 0.00 N ATOM 331 CA VAL A 24 2.434 1.434 9.024 1.00 0.00 C ATOM 332 C VAL A 24 2.219 0.121 8.267 1.00 0.00 C ATOM 333 O VAL A 24 2.278 -0.953 8.865 1.00 0.00 O ATOM 334 CB VAL A 24 1.137 2.255 9.157 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.059 1.390 9.577 1.00 0.00 C ATOM 336 CG2 VAL A 24 1.319 3.364 10.203 1.00 0.00 C ATOM 0 H VAL A 24 3.115 3.150 8.054 1.00 0.00 H new ATOM 0 HA VAL A 24 2.763 1.159 10.026 1.00 0.00 H new ATOM 0 HB VAL A 24 0.932 2.679 8.174 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.949 2.014 9.657 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.226 0.613 8.831 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.148 0.927 10.542 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.396 3.938 10.289 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.560 2.918 11.168 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.130 4.024 9.896 1.00 0.00 H new ATOM 346 N ILE A 25 1.964 0.204 6.956 1.00 0.00 N ATOM 347 CA ILE A 25 1.657 -0.957 6.132 1.00 0.00 C ATOM 348 C ILE A 25 2.844 -1.931 6.077 1.00 0.00 C ATOM 349 O ILE A 25 2.626 -3.138 5.990 1.00 0.00 O ATOM 350 CB ILE A 25 1.164 -0.516 4.741 1.00 0.00 C ATOM 351 CG1 ILE A 25 -0.108 0.356 4.807 1.00 0.00 C ATOM 352 CG2 ILE A 25 0.925 -1.721 3.819 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.368 -0.363 5.301 1.00 0.00 C ATOM 0 H ILE A 25 1.966 1.084 6.441 1.00 0.00 H new ATOM 0 HA ILE A 25 0.839 -1.511 6.592 1.00 0.00 H new ATOM 0 HB ILE A 25 1.963 0.097 4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.087 1.205 5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.305 0.759 3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.578 -1.372 2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.856 -2.274 3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.171 -2.373 4.260 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.205 0.335 5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.597 -1.195 4.635 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.199 -0.741 6.309 1.00 0.00 H new ATOM 365 N SER A 26 4.088 -1.432 6.157 1.00 0.00 N ATOM 366 CA SER A 26 5.281 -2.276 6.208 1.00 0.00 C ATOM 367 C SER A 26 5.234 -3.315 7.338 1.00 0.00 C ATOM 368 O SER A 26 5.883 -4.353 7.225 1.00 0.00 O ATOM 369 CB SER A 26 6.545 -1.419 6.348 1.00 0.00 C ATOM 370 OG SER A 26 7.698 -2.215 6.166 1.00 0.00 O ATOM 0 H SER A 26 4.289 -0.433 6.188 1.00 0.00 H new ATOM 0 HA SER A 26 5.307 -2.823 5.265 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.530 -0.614 5.613 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.569 -0.952 7.332 1.00 0.00 H new ATOM 0 HG SER A 26 8.498 -1.657 6.256 1.00 0.00 H new ATOM 376 N LYS A 27 4.487 -3.046 8.419 1.00 0.00 N ATOM 377 CA LYS A 27 4.435 -3.908 9.594 1.00 0.00 C ATOM 378 C LYS A 27 3.339 -4.976 9.484 1.00 0.00 C ATOM 379 O LYS A 27 3.246 -5.832 10.362 1.00 0.00 O ATOM 380 CB LYS A 27 4.214 -3.058 10.856 1.00 0.00 C ATOM 381 CG LYS A 27 5.169 -1.864 10.984 1.00 0.00 C ATOM 382 CD LYS A 27 6.645 -2.281 10.997 1.00 0.00 C ATOM 383 CE LYS A 27 7.562 -1.070 11.197 1.00 0.00 C ATOM 384 NZ LYS A 27 7.558 -0.174 10.028 1.00 0.00 N ATOM 0 H LYS A 27 3.900 -2.216 8.496 1.00 0.00 H new ATOM 0 HA LYS A 27 5.391 -4.428 9.660 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.188 -2.690 10.858 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.326 -3.695 11.734 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.998 -1.177 10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.942 -1.320 11.901 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.814 -3.004 11.795 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.893 -2.777 10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.243 -0.516 12.079 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.579 -1.413 11.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.191 0.632 10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.887 -0.695 9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.593 0.175 9.861 1.00 0.00 H new ATOM 398 N LYS A 28 2.511 -4.944 8.431 1.00 0.00 N ATOM 399 CA LYS A 28 1.436 -5.910 8.246 1.00 0.00 C ATOM 400 C LYS A 28 2.030 -7.272 7.868 1.00 0.00 C ATOM 401 O LYS A 28 3.038 -7.321 7.162 1.00 0.00 O ATOM 402 CB LYS A 28 0.461 -5.409 7.170 1.00 0.00 C ATOM 403 CG LYS A 28 -0.195 -4.070 7.537 1.00 0.00 C ATOM 404 CD LYS A 28 -1.243 -4.210 8.649 1.00 0.00 C ATOM 405 CE LYS A 28 -1.863 -2.852 8.992 1.00 0.00 C ATOM 406 NZ LYS A 28 -0.887 -1.945 9.622 1.00 0.00 N ATOM 0 H LYS A 28 2.573 -4.247 7.689 1.00 0.00 H new ATOM 0 HA LYS A 28 0.880 -6.024 9.176 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.994 -5.300 6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.316 -6.158 7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.575 -3.368 7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.666 -3.646 6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.024 -4.901 8.333 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.780 -4.638 9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.253 -2.391 8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.709 -2.998 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.382 -1.115 10.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.397 -2.443 10.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.192 -1.636 8.913 1.00 0.00 H new ATOM 420 N PRO A 29 1.433 -8.385 8.330 1.00 0.00 N ATOM 421 CA PRO A 29 1.972 -9.718 8.118 1.00 0.00 C ATOM 422 C PRO A 29 1.975 -10.055 6.628 1.00 0.00 C ATOM 423 O PRO A 29 0.957 -9.914 5.955 1.00 0.00 O ATOM 424 CB PRO A 29 1.079 -10.664 8.924 1.00 0.00 C ATOM 425 CG PRO A 29 -0.249 -9.913 9.010 1.00 0.00 C ATOM 426 CD PRO A 29 0.194 -8.452 9.087 1.00 0.00 C ATOM 0 HA PRO A 29 3.008 -9.803 8.447 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.964 -11.628 8.428 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.493 -10.862 9.913 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.877 -10.100 8.139 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.825 -10.208 9.887 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.561 -7.789 8.664 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.348 -8.142 10.121 1.00 0.00 H new ATOM 434 N GLY A 30 3.136 -10.484 6.124 1.00 0.00 N ATOM 435 CA GLY A 30 3.340 -10.806 4.723 1.00 0.00 C ATOM 436 C GLY A 30 4.089 -9.705 3.981 1.00 0.00 C ATOM 437 O GLY A 30 4.846 -10.021 3.065 1.00 0.00 O ATOM 0 H GLY A 30 3.971 -10.617 6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.898 -11.739 4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.374 -10.971 4.246 1.00 0.00 H new ATOM 441 N VAL A 31 3.884 -8.434 4.358 1.00 0.00 N ATOM 442 CA VAL A 31 4.506 -7.295 3.693 1.00 0.00 C ATOM 443 C VAL A 31 6.010 -7.283 3.969 1.00 0.00 C ATOM 444 O VAL A 31 6.438 -7.563 5.087 1.00 0.00 O ATOM 445 CB VAL A 31 3.846 -5.971 4.121 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.466 -4.788 3.364 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.344 -6.004 3.822 1.00 0.00 C ATOM 0 H VAL A 31 3.279 -8.174 5.136 1.00 0.00 H new ATOM 0 HA VAL A 31 4.355 -7.397 2.618 1.00 0.00 H new ATOM 0 HB VAL A 31 4.010 -5.848 5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.986 -3.862 3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.533 -4.736 3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.320 -4.925 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.891 -5.062 4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.189 -6.149 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.882 -6.825 4.370 1.00 0.00 H new ATOM 457 N LYS A 32 6.797 -6.960 2.935 1.00 0.00 N ATOM 458 CA LYS A 32 8.248 -6.873 2.995 1.00 0.00 C ATOM 459 C LYS A 32 8.657 -5.443 2.642 1.00 0.00 C ATOM 460 O LYS A 32 8.593 -4.568 3.504 1.00 0.00 O ATOM 461 CB LYS A 32 8.863 -7.942 2.079 1.00 0.00 C ATOM 462 CG LYS A 32 8.492 -9.342 2.584 1.00 0.00 C ATOM 463 CD LYS A 32 9.093 -10.433 1.693 1.00 0.00 C ATOM 464 CE LYS A 32 8.737 -11.826 2.226 1.00 0.00 C ATOM 465 NZ LYS A 32 7.285 -12.078 2.187 1.00 0.00 N ATOM 0 H LYS A 32 6.424 -6.747 2.010 1.00 0.00 H new ATOM 0 HA LYS A 32 8.628 -7.080 3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.505 -7.808 1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.947 -7.831 2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.848 -9.468 3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.407 -9.446 2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.722 -10.322 0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.176 -10.320 1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.252 -12.583 1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.095 -11.924 3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.103 -13.087 2.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.814 -11.511 2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.912 -11.814 1.253 1.00 0.00 H new ATOM 479 N SER A 33 9.062 -5.194 1.390 1.00 0.00 N ATOM 480 CA SER A 33 9.381 -3.856 0.914 1.00 0.00 C ATOM 481 C SER A 33 8.100 -3.160 0.451 1.00 0.00 C ATOM 482 O SER A 33 7.177 -3.807 -0.043 1.00 0.00 O ATOM 483 CB SER A 33 10.435 -3.916 -0.198 1.00 0.00 C ATOM 484 OG SER A 33 9.994 -4.692 -1.292 1.00 0.00 O ATOM 0 H SER A 33 9.176 -5.921 0.683 1.00 0.00 H new ATOM 0 HA SER A 33 9.810 -3.271 1.728 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.665 -2.906 -0.537 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.359 -4.337 0.198 1.00 0.00 H new ATOM 0 HG SER A 33 10.689 -4.708 -1.983 1.00 0.00 H new ATOM 490 N ILE A 34 8.047 -1.836 0.624 1.00 0.00 N ATOM 491 CA ILE A 34 6.918 -1.014 0.223 1.00 0.00 C ATOM 492 C ILE A 34 7.418 0.386 -0.133 1.00 0.00 C ATOM 493 O ILE A 34 8.233 0.955 0.591 1.00 0.00 O ATOM 494 CB ILE A 34 5.820 -1.018 1.305 1.00 0.00 C ATOM 495 CG1 ILE A 34 4.702 -0.040 0.906 1.00 0.00 C ATOM 496 CG2 ILE A 34 6.366 -0.714 2.708 1.00 0.00 C ATOM 497 CD1 ILE A 34 3.449 -0.174 1.772 1.00 0.00 C ATOM 0 H ILE A 34 8.803 -1.304 1.054 1.00 0.00 H new ATOM 0 HA ILE A 34 6.449 -1.430 -0.669 1.00 0.00 H new ATOM 0 HB ILE A 34 5.409 -2.026 1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.078 0.981 0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.435 -0.209 -0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.548 -0.730 3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.105 -1.467 2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.833 0.271 2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.698 0.543 1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.051 -1.185 1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.704 0.024 2.813 1.00 0.00 H new ATOM 509 N ARG A 35 6.933 0.920 -1.260 1.00 0.00 N ATOM 510 CA ARG A 35 7.322 2.210 -1.809 1.00 0.00 C ATOM 511 C ARG A 35 6.053 2.978 -2.181 1.00 0.00 C ATOM 512 O ARG A 35 5.371 2.614 -3.140 1.00 0.00 O ATOM 513 CB ARG A 35 8.226 2.005 -3.035 1.00 0.00 C ATOM 514 CG ARG A 35 9.525 1.244 -2.733 1.00 0.00 C ATOM 515 CD ARG A 35 10.490 2.039 -1.845 1.00 0.00 C ATOM 516 NE ARG A 35 11.739 1.297 -1.628 1.00 0.00 N ATOM 517 CZ ARG A 35 11.940 0.354 -0.692 1.00 0.00 C ATOM 518 NH1 ARG A 35 10.974 0.011 0.172 1.00 0.00 N ATOM 519 NH2 ARG A 35 13.131 -0.256 -0.619 1.00 0.00 N ATOM 0 H ARG A 35 6.234 0.443 -1.830 1.00 0.00 H new ATOM 0 HA ARG A 35 7.886 2.784 -1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.668 1.462 -3.798 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.477 2.979 -3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.282 0.301 -2.243 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.022 0.997 -3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.710 3.000 -2.310 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.017 2.250 -0.886 1.00 0.00 H new ATOM 0 HE ARG A 35 12.523 1.517 -2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.064 0.469 0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.149 -0.708 0.874 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.874 -0.003 -1.270 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.294 -0.973 0.088 1.00 0.00 H new ATOM 533 N VAL A 36 5.744 4.032 -1.416 1.00 0.00 N ATOM 534 CA VAL A 36 4.593 4.903 -1.625 1.00 0.00 C ATOM 535 C VAL A 36 5.077 6.215 -2.253 1.00 0.00 C ATOM 536 O VAL A 36 6.195 6.650 -1.981 1.00 0.00 O ATOM 537 CB VAL A 36 3.840 5.101 -0.293 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.545 5.905 -0.479 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.464 3.751 0.333 1.00 0.00 C ATOM 0 H VAL A 36 6.308 4.306 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 36 3.879 4.455 -2.316 1.00 0.00 H new ATOM 0 HB VAL A 36 4.519 5.649 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.047 6.021 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.782 6.888 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.885 5.378 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.934 3.920 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.821 3.198 -0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.369 3.175 0.526 1.00 0.00 H new ATOM 549 N SER A 37 4.246 6.828 -3.107 1.00 0.00 N ATOM 550 CA SER A 37 4.594 8.019 -3.872 1.00 0.00 C ATOM 551 C SER A 37 3.408 8.981 -3.938 1.00 0.00 C ATOM 552 O SER A 37 2.314 8.584 -4.336 1.00 0.00 O ATOM 553 CB SER A 37 5.021 7.599 -5.283 1.00 0.00 C ATOM 554 OG SER A 37 5.214 8.732 -6.106 1.00 0.00 O ATOM 0 H SER A 37 3.297 6.499 -3.284 1.00 0.00 H new ATOM 0 HA SER A 37 5.418 8.536 -3.381 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.943 7.020 -5.232 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.261 6.951 -5.720 1.00 0.00 H new ATOM 0 HG SER A 37 5.331 8.445 -7.036 1.00 0.00 H new ATOM 560 N LEU A 38 3.646 10.247 -3.571 1.00 0.00 N ATOM 561 CA LEU A 38 2.702 11.346 -3.731 1.00 0.00 C ATOM 562 C LEU A 38 2.544 11.669 -5.218 1.00 0.00 C ATOM 563 O LEU A 38 1.423 11.767 -5.713 1.00 0.00 O ATOM 564 CB LEU A 38 3.209 12.572 -2.951 1.00 0.00 C ATOM 565 CG LEU A 38 2.309 13.814 -3.057 1.00 0.00 C ATOM 566 CD1 LEU A 38 0.928 13.574 -2.435 1.00 0.00 C ATOM 567 CD2 LEU A 38 2.986 14.981 -2.330 1.00 0.00 C ATOM 0 H LEU A 38 4.526 10.536 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 38 1.727 11.063 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.310 12.301 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.205 12.829 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 38 2.168 14.040 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.324 14.476 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.435 12.750 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.042 13.325 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.356 15.868 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.133 14.721 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.952 15.186 -2.791 1.00 0.00 H new ATOM 579 N ALA A 39 3.675 11.828 -5.918 1.00 0.00 N ATOM 580 CA ALA A 39 3.735 12.184 -7.330 1.00 0.00 C ATOM 581 C ALA A 39 2.894 11.237 -8.188 1.00 0.00 C ATOM 582 O ALA A 39 2.130 11.692 -9.037 1.00 0.00 O ATOM 583 CB ALA A 39 5.195 12.182 -7.793 1.00 0.00 C ATOM 0 H ALA A 39 4.597 11.707 -5.499 1.00 0.00 H new ATOM 0 HA ALA A 39 3.316 13.183 -7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.242 12.448 -8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.762 12.908 -7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.621 11.189 -7.650 1.00 0.00 H new ATOM 589 N ASN A 40 3.027 9.927 -7.953 1.00 0.00 N ATOM 590 CA ASN A 40 2.278 8.904 -8.674 1.00 0.00 C ATOM 591 C ASN A 40 0.946 8.588 -7.983 1.00 0.00 C ATOM 592 O ASN A 40 0.107 7.914 -8.578 1.00 0.00 O ATOM 593 CB ASN A 40 3.134 7.640 -8.800 1.00 0.00 C ATOM 594 CG ASN A 40 4.463 7.912 -9.499 1.00 0.00 C ATOM 595 OD1 ASN A 40 5.511 7.932 -8.857 1.00 0.00 O ATOM 596 ND2 ASN A 40 4.425 8.125 -10.816 1.00 0.00 N ATOM 0 H ASN A 40 3.663 9.549 -7.251 1.00 0.00 H new ATOM 0 HA ASN A 40 2.043 9.284 -9.668 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.324 7.232 -7.808 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.581 6.883 -9.356 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.287 8.313 -11.327 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.534 8.100 -11.311 1.00 0.00 H new ATOM 603 N SER A 41 0.747 9.069 -6.745 1.00 0.00 N ATOM 604 CA SER A 41 -0.461 8.880 -5.950 1.00 0.00 C ATOM 605 C SER A 41 -0.813 7.396 -5.842 1.00 0.00 C ATOM 606 O SER A 41 -1.925 6.987 -6.175 1.00 0.00 O ATOM 607 CB SER A 41 -1.607 9.732 -6.512 1.00 0.00 C ATOM 608 OG SER A 41 -1.288 11.104 -6.404 1.00 0.00 O ATOM 0 H SER A 41 1.454 9.620 -6.259 1.00 0.00 H new ATOM 0 HA SER A 41 -0.281 9.226 -4.932 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.786 9.473 -7.556 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.528 9.521 -5.969 1.00 0.00 H new ATOM 0 HG SER A 41 -0.347 11.202 -6.148 1.00 0.00 H new ATOM 614 N ASN A 42 0.150 6.586 -5.384 1.00 0.00 N ATOM 615 CA ASN A 42 0.003 5.140 -5.313 1.00 0.00 C ATOM 616 C ASN A 42 0.980 4.523 -4.313 1.00 0.00 C ATOM 617 O ASN A 42 1.850 5.210 -3.778 1.00 0.00 O ATOM 618 CB ASN A 42 0.134 4.516 -6.716 1.00 0.00 C ATOM 619 CG ASN A 42 1.531 4.611 -7.331 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.472 5.115 -6.722 1.00 0.00 O ATOM 621 ND2 ASN A 42 1.671 4.112 -8.560 1.00 0.00 N ATOM 0 H ASN A 42 1.054 6.924 -5.053 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.998 4.916 -4.943 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.152 3.466 -6.660 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.576 5.005 -7.384 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.580 4.142 -9.022 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.869 3.700 -9.038 1.00 0.00 H new ATOM 628 N GLY A 43 0.814 3.216 -4.080 1.00 0.00 N ATOM 629 CA GLY A 43 1.626 2.395 -3.205 1.00 0.00 C ATOM 630 C GLY A 43 1.943 1.076 -3.901 1.00 0.00 C ATOM 631 O GLY A 43 1.028 0.321 -4.230 1.00 0.00 O ATOM 0 H GLY A 43 0.067 2.684 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.549 2.916 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.098 2.208 -2.270 1.00 0.00 H new ATOM 635 N THR A 44 3.237 0.807 -4.111 1.00 0.00 N ATOM 636 CA THR A 44 3.745 -0.442 -4.660 1.00 0.00 C ATOM 637 C THR A 44 4.232 -1.285 -3.484 1.00 0.00 C ATOM 638 O THR A 44 5.139 -0.862 -2.770 1.00 0.00 O ATOM 639 CB THR A 44 4.872 -0.150 -5.661 1.00 0.00 C ATOM 640 OG1 THR A 44 4.366 0.647 -6.713 1.00 0.00 O ATOM 641 CG2 THR A 44 5.444 -1.444 -6.251 1.00 0.00 C ATOM 0 H THR A 44 3.976 1.476 -3.895 1.00 0.00 H new ATOM 0 HA THR A 44 2.973 -0.986 -5.204 1.00 0.00 H new ATOM 0 HB THR A 44 5.669 0.372 -5.132 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.083 0.837 -7.353 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.240 -1.202 -6.956 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.846 -2.063 -5.449 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.654 -1.988 -6.769 1.00 0.00 H new ATOM 649 N VAL A 45 3.614 -2.455 -3.278 1.00 0.00 N ATOM 650 CA VAL A 45 3.813 -3.292 -2.103 1.00 0.00 C ATOM 651 C VAL A 45 4.287 -4.681 -2.533 1.00 0.00 C ATOM 652 O VAL A 45 3.650 -5.303 -3.380 1.00 0.00 O ATOM 653 CB VAL A 45 2.495 -3.406 -1.310 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.774 -4.021 0.068 1.00 0.00 C ATOM 655 CG2 VAL A 45 1.794 -2.052 -1.127 1.00 0.00 C ATOM 0 H VAL A 45 2.948 -2.849 -3.943 1.00 0.00 H new ATOM 0 HA VAL A 45 4.571 -2.839 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 45 1.828 -4.045 -1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.841 -4.101 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.208 -5.013 -0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.471 -3.387 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.872 -2.193 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.451 -1.372 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.560 -1.629 -2.104 1.00 0.00 H new ATOM 665 N GLU A 46 5.387 -5.161 -1.935 1.00 0.00 N ATOM 666 CA GLU A 46 5.858 -6.537 -2.044 1.00 0.00 C ATOM 667 C GLU A 46 5.315 -7.286 -0.829 1.00 0.00 C ATOM 668 O GLU A 46 5.498 -6.826 0.298 1.00 0.00 O ATOM 669 CB GLU A 46 7.392 -6.554 -2.070 1.00 0.00 C ATOM 670 CG GLU A 46 7.986 -7.970 -2.113 1.00 0.00 C ATOM 671 CD GLU A 46 7.530 -8.771 -3.330 1.00 0.00 C ATOM 672 OE1 GLU A 46 7.636 -8.222 -4.447 1.00 0.00 O ATOM 673 OE2 GLU A 46 7.089 -9.921 -3.123 1.00 0.00 O ATOM 0 H GLU A 46 5.986 -4.581 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 46 5.512 -7.012 -2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.739 -5.996 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.769 -6.037 -1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.074 -7.902 -2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.703 -8.505 -1.206 1.00 0.00 H new ATOM 680 N TYR A 47 4.635 -8.418 -1.053 1.00 0.00 N ATOM 681 CA TYR A 47 3.886 -9.111 -0.015 1.00 0.00 C ATOM 682 C TYR A 47 3.828 -10.620 -0.255 1.00 0.00 C ATOM 683 O TYR A 47 4.099 -11.091 -1.358 1.00 0.00 O ATOM 684 CB TYR A 47 2.468 -8.529 0.060 1.00 0.00 C ATOM 685 CG TYR A 47 1.596 -8.902 -1.126 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.777 -8.264 -2.366 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.622 -9.909 -1.000 1.00 0.00 C ATOM 688 CE1 TYR A 47 1.065 -8.702 -3.494 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.138 -10.300 -2.115 1.00 0.00 C ATOM 690 CZ TYR A 47 0.103 -9.717 -3.369 1.00 0.00 C ATOM 691 OH TYR A 47 -0.592 -10.141 -4.464 1.00 0.00 O ATOM 0 H TYR A 47 4.593 -8.874 -1.964 1.00 0.00 H new ATOM 0 HA TYR A 47 4.402 -8.959 0.933 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.990 -8.876 0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.533 -7.443 0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.465 -7.436 -2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.458 -10.383 -0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.258 -8.258 -4.459 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.908 -11.050 -2.007 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.217 -10.849 -4.201 1.00 0.00 H new ATOM 701 N ASP A 48 3.446 -11.367 0.789 1.00 0.00 N ATOM 702 CA ASP A 48 3.173 -12.797 0.726 1.00 0.00 C ATOM 703 C ASP A 48 1.656 -13.043 0.615 1.00 0.00 C ATOM 704 O ASP A 48 0.935 -12.732 1.564 1.00 0.00 O ATOM 705 CB ASP A 48 3.733 -13.473 1.979 1.00 0.00 C ATOM 706 CG ASP A 48 3.502 -14.979 1.931 1.00 0.00 C ATOM 707 OD1 ASP A 48 4.329 -15.665 1.292 1.00 0.00 O ATOM 708 OD2 ASP A 48 2.494 -15.413 2.527 1.00 0.00 O ATOM 0 H ASP A 48 3.317 -10.977 1.723 1.00 0.00 H new ATOM 0 HA ASP A 48 3.654 -13.221 -0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.800 -13.267 2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.257 -13.056 2.866 1.00 0.00 H new ATOM 713 N PRO A 49 1.166 -13.609 -0.506 1.00 0.00 N ATOM 714 CA PRO A 49 -0.232 -13.967 -0.736 1.00 0.00 C ATOM 715 C PRO A 49 -0.932 -14.682 0.423 1.00 0.00 C ATOM 716 O PRO A 49 -2.085 -14.378 0.723 1.00 0.00 O ATOM 717 CB PRO A 49 -0.230 -14.845 -1.989 1.00 0.00 C ATOM 718 CG PRO A 49 0.935 -14.272 -2.786 1.00 0.00 C ATOM 719 CD PRO A 49 1.944 -13.926 -1.693 1.00 0.00 C ATOM 0 HA PRO A 49 -0.810 -13.049 -0.846 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.079 -15.897 -1.748 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.170 -14.775 -2.536 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.337 -14.996 -3.495 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.641 -13.393 -3.360 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.616 -14.763 -1.505 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.564 -13.080 -1.989 1.00 0.00 H new ATOM 727 N LEU A 50 -0.253 -15.642 1.061 1.00 0.00 N ATOM 728 CA LEU A 50 -0.855 -16.477 2.094 1.00 0.00 C ATOM 729 C LEU A 50 -1.178 -15.677 3.361 1.00 0.00 C ATOM 730 O LEU A 50 -2.101 -16.040 4.088 1.00 0.00 O ATOM 731 CB LEU A 50 0.049 -17.674 2.429 1.00 0.00 C ATOM 732 CG LEU A 50 0.540 -18.466 1.204 1.00 0.00 C ATOM 733 CD1 LEU A 50 1.425 -19.624 1.677 1.00 0.00 C ATOM 734 CD2 LEU A 50 -0.625 -19.021 0.374 1.00 0.00 C ATOM 0 H LEU A 50 0.726 -15.858 0.873 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.796 -16.853 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.915 -17.315 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.495 -18.350 3.089 1.00 0.00 H new ATOM 0 HG LEU A 50 1.105 -17.785 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.776 -20.189 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.281 -19.228 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.848 -20.279 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.233 -19.573 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.226 -19.688 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.245 -18.197 0.020 1.00 0.00 H new ATOM 746 N LEU A 51 -0.425 -14.601 3.625 1.00 0.00 N ATOM 747 CA LEU A 51 -0.543 -13.799 4.837 1.00 0.00 C ATOM 748 C LEU A 51 -1.361 -12.525 4.597 1.00 0.00 C ATOM 749 O LEU A 51 -2.035 -12.064 5.517 1.00 0.00 O ATOM 750 CB LEU A 51 0.861 -13.469 5.361 1.00 0.00 C ATOM 751 CG LEU A 51 1.634 -14.705 5.856 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.100 -14.328 6.092 1.00 0.00 C ATOM 753 CD2 LEU A 51 1.049 -15.264 7.160 1.00 0.00 C ATOM 0 H LEU A 51 0.295 -14.262 2.987 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.081 -14.376 5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.432 -12.985 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.777 -12.751 6.177 1.00 0.00 H new ATOM 0 HG LEU A 51 1.551 -15.475 5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.649 -15.202 6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.539 -13.974 5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.157 -13.539 6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.625 -16.135 7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.095 -14.500 7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.011 -15.554 6.998 1.00 0.00 H new ATOM 765 N THR A 52 -1.319 -11.956 3.385 1.00 0.00 N ATOM 766 CA THR A 52 -2.114 -10.785 3.024 1.00 0.00 C ATOM 767 C THR A 52 -2.371 -10.773 1.515 1.00 0.00 C ATOM 768 O THR A 52 -1.702 -11.486 0.771 1.00 0.00 O ATOM 769 CB THR A 52 -1.421 -9.504 3.522 1.00 0.00 C ATOM 770 OG1 THR A 52 -2.281 -8.394 3.388 1.00 0.00 O ATOM 771 CG2 THR A 52 -0.115 -9.213 2.777 1.00 0.00 C ATOM 0 H THR A 52 -0.729 -12.300 2.627 1.00 0.00 H new ATOM 0 HA THR A 52 -3.087 -10.830 3.513 1.00 0.00 H new ATOM 0 HB THR A 52 -1.181 -9.672 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.827 -7.588 3.710 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.331 -8.299 3.168 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.577 -10.044 2.917 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.322 -9.089 1.714 1.00 0.00 H new ATOM 779 N SER A 53 -3.345 -9.969 1.068 1.00 0.00 N ATOM 780 CA SER A 53 -3.759 -9.857 -0.327 1.00 0.00 C ATOM 781 C SER A 53 -3.837 -8.379 -0.732 1.00 0.00 C ATOM 782 O SER A 53 -3.892 -7.519 0.147 1.00 0.00 O ATOM 783 CB SER A 53 -5.120 -10.546 -0.500 1.00 0.00 C ATOM 784 OG SER A 53 -6.150 -9.777 0.089 1.00 0.00 O ATOM 0 H SER A 53 -3.879 -9.363 1.690 1.00 0.00 H new ATOM 0 HA SER A 53 -3.030 -10.345 -0.973 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.328 -10.689 -1.560 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.092 -11.536 -0.044 1.00 0.00 H new ATOM 0 HG SER A 53 -7.009 -10.232 -0.033 1.00 0.00 H new ATOM 790 N PRO A 54 -3.866 -8.056 -2.039 1.00 0.00 N ATOM 791 CA PRO A 54 -4.072 -6.696 -2.523 1.00 0.00 C ATOM 792 C PRO A 54 -5.313 -6.040 -1.911 1.00 0.00 C ATOM 793 O PRO A 54 -5.278 -4.862 -1.569 1.00 0.00 O ATOM 794 CB PRO A 54 -4.185 -6.804 -4.046 1.00 0.00 C ATOM 795 CG PRO A 54 -3.386 -8.067 -4.359 1.00 0.00 C ATOM 796 CD PRO A 54 -3.714 -8.962 -3.167 1.00 0.00 C ATOM 0 HA PRO A 54 -3.242 -6.054 -2.229 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.222 -6.892 -4.369 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.769 -5.929 -4.545 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.692 -8.518 -5.303 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.318 -7.864 -4.434 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.628 -9.530 -3.341 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.918 -9.685 -2.987 1.00 0.00 H new ATOM 804 N GLU A 55 -6.402 -6.807 -1.767 1.00 0.00 N ATOM 805 CA GLU A 55 -7.651 -6.336 -1.187 1.00 0.00 C ATOM 806 C GLU A 55 -7.494 -6.010 0.301 1.00 0.00 C ATOM 807 O GLU A 55 -8.043 -5.014 0.767 1.00 0.00 O ATOM 808 CB GLU A 55 -8.756 -7.375 -1.408 1.00 0.00 C ATOM 809 CG GLU A 55 -9.035 -7.570 -2.902 1.00 0.00 C ATOM 810 CD GLU A 55 -10.314 -8.369 -3.123 1.00 0.00 C ATOM 811 OE1 GLU A 55 -10.207 -9.614 -3.179 1.00 0.00 O ATOM 812 OE2 GLU A 55 -11.377 -7.719 -3.228 1.00 0.00 O ATOM 0 H GLU A 55 -6.433 -7.785 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.932 -5.411 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.461 -8.325 -0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.667 -7.055 -0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.121 -6.598 -3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.195 -8.086 -3.367 1.00 0.00 H new ATOM 819 N THR A 56 -6.749 -6.836 1.047 1.00 0.00 N ATOM 820 CA THR A 56 -6.463 -6.582 2.455 1.00 0.00 C ATOM 821 C THR A 56 -5.670 -5.281 2.603 1.00 0.00 C ATOM 822 O THR A 56 -6.014 -4.438 3.430 1.00 0.00 O ATOM 823 CB THR A 56 -5.690 -7.764 3.058 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.351 -8.979 2.774 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.542 -7.627 4.577 1.00 0.00 C ATOM 0 H THR A 56 -6.331 -7.695 0.688 1.00 0.00 H new ATOM 0 HA THR A 56 -7.403 -6.475 2.997 1.00 0.00 H new ATOM 0 HB THR A 56 -4.698 -7.762 2.607 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.163 -9.245 1.850 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.990 -8.482 4.967 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.001 -6.709 4.809 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.530 -7.592 5.037 1.00 0.00 H new ATOM 833 N LEU A 57 -4.613 -5.125 1.797 1.00 0.00 N ATOM 834 CA LEU A 57 -3.743 -3.957 1.808 1.00 0.00 C ATOM 835 C LEU A 57 -4.534 -2.693 1.461 1.00 0.00 C ATOM 836 O LEU A 57 -4.430 -1.692 2.165 1.00 0.00 O ATOM 837 CB LEU A 57 -2.576 -4.178 0.834 1.00 0.00 C ATOM 838 CG LEU A 57 -1.649 -5.330 1.262 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.760 -5.743 0.083 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.770 -4.937 2.454 1.00 0.00 C ATOM 0 H LEU A 57 -4.338 -5.825 1.107 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.335 -3.818 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.973 -4.388 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.994 -3.259 0.757 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.276 -6.167 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.105 -6.559 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.386 -6.072 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.156 -4.892 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.130 -5.776 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.151 -4.082 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.403 -4.673 3.301 1.00 0.00 H new ATOM 852 N ARG A 58 -5.340 -2.750 0.393 1.00 0.00 N ATOM 853 CA ARG A 58 -6.272 -1.699 0.008 1.00 0.00 C ATOM 854 C ARG A 58 -7.149 -1.312 1.200 1.00 0.00 C ATOM 855 O ARG A 58 -7.257 -0.132 1.524 1.00 0.00 O ATOM 856 CB ARG A 58 -7.122 -2.199 -1.168 1.00 0.00 C ATOM 857 CG ARG A 58 -8.176 -1.185 -1.634 1.00 0.00 C ATOM 858 CD ARG A 58 -9.118 -1.826 -2.658 1.00 0.00 C ATOM 859 NE ARG A 58 -9.867 -2.940 -2.061 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.495 -3.915 -2.740 1.00 0.00 C ATOM 861 NH1 ARG A 58 -10.533 -3.912 -4.080 1.00 0.00 N ATOM 862 NH2 ARG A 58 -11.093 -4.905 -2.065 1.00 0.00 N ATOM 0 H ARG A 58 -5.357 -3.551 -0.238 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.726 -0.808 -0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.466 -2.440 -2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.621 -3.124 -0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.748 -0.827 -0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.685 -0.317 -2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.814 -1.077 -3.036 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.543 -2.186 -3.511 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.914 -2.977 -1.043 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.080 -3.161 -4.601 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.014 -4.661 -4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.069 -4.914 -1.045 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.572 -5.650 -2.571 1.00 0.00 H new ATOM 876 N GLY A 59 -7.764 -2.308 1.850 1.00 0.00 N ATOM 877 CA GLY A 59 -8.611 -2.123 3.018 1.00 0.00 C ATOM 878 C GLY A 59 -7.884 -1.389 4.146 1.00 0.00 C ATOM 879 O GLY A 59 -8.438 -0.462 4.731 1.00 0.00 O ATOM 0 H GLY A 59 -7.680 -3.284 1.566 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.501 -1.561 2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.949 -3.095 3.377 1.00 0.00 H new ATOM 883 N ALA A 60 -6.647 -1.801 4.448 1.00 0.00 N ATOM 884 CA ALA A 60 -5.835 -1.201 5.497 1.00 0.00 C ATOM 885 C ALA A 60 -5.542 0.271 5.196 1.00 0.00 C ATOM 886 O ALA A 60 -5.762 1.127 6.050 1.00 0.00 O ATOM 887 CB ALA A 60 -4.544 -2.004 5.673 1.00 0.00 C ATOM 0 H ALA A 60 -6.183 -2.568 3.962 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.392 -1.230 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.939 -1.552 6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.788 -3.030 5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.984 -2.002 4.738 1.00 0.00 H new ATOM 893 N ILE A 61 -5.057 0.568 3.984 1.00 0.00 N ATOM 894 CA ILE A 61 -4.758 1.929 3.550 1.00 0.00 C ATOM 895 C ILE A 61 -6.024 2.787 3.633 1.00 0.00 C ATOM 896 O ILE A 61 -5.989 3.894 4.165 1.00 0.00 O ATOM 897 CB ILE A 61 -4.174 1.921 2.124 1.00 0.00 C ATOM 898 CG1 ILE A 61 -2.836 1.159 2.071 1.00 0.00 C ATOM 899 CG2 ILE A 61 -3.955 3.363 1.640 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.485 0.694 0.654 1.00 0.00 C ATOM 0 H ILE A 61 -4.861 -0.139 3.275 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.007 2.363 4.210 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.887 1.414 1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.040 1.801 2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.887 0.294 2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.542 3.349 0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.907 3.894 1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.260 3.870 2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.534 0.162 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.266 0.029 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.406 1.560 -0.004 1.00 0.00 H new ATOM 912 N GLU A 62 -7.143 2.273 3.112 1.00 0.00 N ATOM 913 CA GLU A 62 -8.433 2.944 3.147 1.00 0.00 C ATOM 914 C GLU A 62 -8.810 3.302 4.587 1.00 0.00 C ATOM 915 O GLU A 62 -9.177 4.444 4.859 1.00 0.00 O ATOM 916 CB GLU A 62 -9.485 2.052 2.473 1.00 0.00 C ATOM 917 CG GLU A 62 -10.851 2.733 2.358 1.00 0.00 C ATOM 918 CD GLU A 62 -11.830 1.845 1.597 1.00 0.00 C ATOM 919 OE1 GLU A 62 -11.874 1.981 0.355 1.00 0.00 O ATOM 920 OE2 GLU A 62 -12.513 1.042 2.270 1.00 0.00 O ATOM 0 H GLU A 62 -7.171 1.365 2.649 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.381 3.882 2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.137 1.775 1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.591 1.128 3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.242 2.946 3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.745 3.689 1.846 1.00 0.00 H new ATOM 927 N ASP A 63 -8.698 2.326 5.498 1.00 0.00 N ATOM 928 CA ASP A 63 -9.030 2.461 6.910 1.00 0.00 C ATOM 929 C ASP A 63 -8.224 3.568 7.598 1.00 0.00 C ATOM 930 O ASP A 63 -8.779 4.278 8.434 1.00 0.00 O ATOM 931 CB ASP A 63 -8.846 1.113 7.618 1.00 0.00 C ATOM 932 CG ASP A 63 -9.237 1.189 9.091 1.00 0.00 C ATOM 933 OD1 ASP A 63 -10.459 1.167 9.357 1.00 0.00 O ATOM 934 OD2 ASP A 63 -8.309 1.270 9.925 1.00 0.00 O ATOM 0 H ASP A 63 -8.362 1.393 5.258 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.076 2.759 6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.451 0.355 7.120 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.806 0.797 7.534 1.00 0.00 H new ATOM 939 N MET A 64 -6.935 3.728 7.255 1.00 0.00 N ATOM 940 CA MET A 64 -6.117 4.819 7.785 1.00 0.00 C ATOM 941 C MET A 64 -6.760 6.181 7.499 1.00 0.00 C ATOM 942 O MET A 64 -6.702 7.069 8.348 1.00 0.00 O ATOM 943 CB MET A 64 -4.686 4.771 7.230 1.00 0.00 C ATOM 944 CG MET A 64 -3.893 3.576 7.770 1.00 0.00 C ATOM 945 SD MET A 64 -2.194 3.443 7.149 1.00 0.00 S ATOM 946 CE MET A 64 -1.472 4.931 7.890 1.00 0.00 C ATOM 0 H MET A 64 -6.441 3.111 6.611 1.00 0.00 H new ATOM 0 HA MET A 64 -6.062 4.687 8.866 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.722 4.718 6.142 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.168 5.695 7.487 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.863 3.640 8.858 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.429 2.660 7.520 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.385 4.881 7.822 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.828 5.812 7.357 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.767 4.996 8.937 1.00 0.00 H new ATOM 956 N GLY A 65 -7.380 6.334 6.321 1.00 0.00 N ATOM 957 CA GLY A 65 -8.187 7.494 5.967 1.00 0.00 C ATOM 958 C GLY A 65 -7.839 7.988 4.568 1.00 0.00 C ATOM 959 O GLY A 65 -7.485 9.154 4.400 1.00 0.00 O ATOM 0 H GLY A 65 -7.329 5.637 5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.245 7.235 6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.022 8.292 6.691 1.00 0.00 H new ATOM 963 N PHE A 66 -7.940 7.100 3.571 1.00 0.00 N ATOM 964 CA PHE A 66 -7.658 7.408 2.176 1.00 0.00 C ATOM 965 C PHE A 66 -8.676 6.716 1.271 1.00 0.00 C ATOM 966 O PHE A 66 -9.497 5.930 1.737 1.00 0.00 O ATOM 967 CB PHE A 66 -6.219 6.990 1.843 1.00 0.00 C ATOM 968 CG PHE A 66 -5.184 7.739 2.659 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.831 9.053 2.301 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.599 7.142 3.791 1.00 0.00 C ATOM 971 CE1 PHE A 66 -3.962 9.797 3.118 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.731 7.884 4.609 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.425 9.216 4.282 1.00 0.00 C ATOM 0 H PHE A 66 -8.225 6.132 3.721 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.747 8.481 2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.107 5.920 2.018 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.032 7.161 0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.228 9.491 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.818 6.112 4.031 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.707 10.812 2.853 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.299 7.431 5.489 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.777 9.794 4.924 1.00 0.00 H new ATOM 983 N ASP A 67 -8.611 7.019 -0.029 1.00 0.00 N ATOM 984 CA ASP A 67 -9.439 6.423 -1.064 1.00 0.00 C ATOM 985 C ASP A 67 -8.546 5.503 -1.894 1.00 0.00 C ATOM 986 O ASP A 67 -7.966 5.929 -2.891 1.00 0.00 O ATOM 987 CB ASP A 67 -10.075 7.536 -1.907 1.00 0.00 C ATOM 988 CG ASP A 67 -11.019 8.399 -1.075 1.00 0.00 C ATOM 989 OD1 ASP A 67 -12.179 7.967 -0.899 1.00 0.00 O ATOM 990 OD2 ASP A 67 -10.563 9.474 -0.627 1.00 0.00 O ATOM 0 H ASP A 67 -7.956 7.710 -0.395 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.255 5.835 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.292 8.161 -2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.623 7.095 -2.740 1.00 0.00 H new ATOM 995 N ALA A 68 -8.431 4.241 -1.461 1.00 0.00 N ATOM 996 CA ALA A 68 -7.526 3.260 -2.043 1.00 0.00 C ATOM 997 C ALA A 68 -8.283 2.340 -3.001 1.00 0.00 C ATOM 998 O ALA A 68 -9.399 1.918 -2.703 1.00 0.00 O ATOM 999 CB ALA A 68 -6.868 2.451 -0.923 1.00 0.00 C ATOM 0 H ALA A 68 -8.977 3.873 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.752 3.775 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.190 1.716 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.308 3.121 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.637 1.939 -0.344 1.00 0.00 H new ATOM 1005 N THR A 69 -7.668 2.030 -4.150 1.00 0.00 N ATOM 1006 CA THR A 69 -8.219 1.137 -5.161 1.00 0.00 C ATOM 1007 C THR A 69 -7.073 0.430 -5.885 1.00 0.00 C ATOM 1008 O THR A 69 -5.992 0.996 -6.035 1.00 0.00 O ATOM 1009 CB THR A 69 -9.132 1.915 -6.123 1.00 0.00 C ATOM 1010 OG1 THR A 69 -9.732 1.025 -7.041 1.00 0.00 O ATOM 1011 CG2 THR A 69 -8.395 3.014 -6.898 1.00 0.00 C ATOM 0 H THR A 69 -6.753 2.405 -4.402 1.00 0.00 H new ATOM 0 HA THR A 69 -8.839 0.374 -4.690 1.00 0.00 H new ATOM 0 HB THR A 69 -9.887 2.403 -5.507 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.314 1.526 -7.650 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.095 3.525 -7.559 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.969 3.731 -6.196 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.596 2.568 -7.491 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.306 -0.811 -6.327 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.282 -1.622 -6.970 1.00 0.00 C ATOM 1021 C LEU A 70 -5.850 -1.011 -8.304 1.00 0.00 C ATOM 1022 O LEU A 70 -6.628 -0.321 -8.963 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.780 -3.057 -7.197 1.00 0.00 C ATOM 1024 CG LEU A 70 -7.292 -3.765 -5.934 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -7.656 -5.212 -6.285 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -6.256 -3.763 -4.805 1.00 0.00 C ATOM 0 H LEU A 70 -8.211 -1.275 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.421 -1.648 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.581 -3.037 -7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.968 -3.646 -7.623 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.166 -3.220 -5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.021 -5.722 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.433 -5.217 -7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.773 -5.728 -6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.666 -4.275 -3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.354 -4.277 -5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.010 -2.735 -4.539 1.00 0.00 H new