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= 1.21 USER MOD Set 1.2: A 56 THR OG1 : rot 76:sc= 1.06 USER MOD Set 2.1: A 37 SER OG : rot -166:sc= 0.409 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.18 K(o=0.59,f=-1.7) USER MOD Set 3.1: A 15 ASN : amide:sc= 0.298 X(o=0.43,f=0.58) USER MOD Set 3.2: A 19 GLN : amide:sc= 0.134 X(o=0.43,f=0.58) USER MOD Set 4.1: A 14 CYS SG : rot 65:sc= 0.223 USER MOD Set 4.2: A 16 SER OG : rot 180:sc= 0.211 USER MOD Set 5.1: A 3 GLN : amide:sc= 0.35 K(o=0.72,f=-0.94) USER MOD Set 5.2: A 47 TYR OH : rot 75:sc= 0.373 USER MOD Single : A 2 THR OG1 : rot -28:sc= 0.16 USER MOD Single : A 5 THR OG1 : rot -140:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.526 K(o=0.53,f=0) USER MOD Single : A 12 MET CE :methyl 143:sc= 0 (180deg=-0.767) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -114:sc= 0.00044 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -34:sc= 0.721 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 177:sc= -0.108 (180deg=-0.136) USER MOD Single : A 32 LYS NZ :NH3+ -173:sc=-0.00277 (180deg=-0.0725) USER MOD Single : A 33 SER OG : rot -105:sc= 0.717 USER MOD Single : A 41 SER OG : rot 13:sc= 0.828 USER MOD Single : A 42 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.4) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00152 USER MOD Single : A 64 MET CE :methyl -164:sc=-0.00284 (180deg=-0.409) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N THR A 2 5.651 -15.060 -3.406 1.00 0.00 N ATOM 23 CA THR A 2 5.415 -13.634 -3.224 1.00 0.00 C ATOM 24 C THR A 2 4.909 -13.016 -4.527 1.00 0.00 C ATOM 25 O THR A 2 5.118 -13.570 -5.606 1.00 0.00 O ATOM 26 CB THR A 2 6.702 -12.938 -2.757 1.00 0.00 C ATOM 27 OG1 THR A 2 7.765 -13.225 -3.644 1.00 0.00 O ATOM 28 CG2 THR A 2 7.098 -13.372 -1.344 1.00 0.00 C ATOM 0 HA THR A 2 4.653 -13.496 -2.457 1.00 0.00 H new ATOM 0 HB THR A 2 6.505 -11.866 -2.748 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.610 -14.094 -4.069 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.013 -12.858 -1.049 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.299 -13.118 -0.648 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.265 -14.449 -1.328 1.00 0.00 H new ATOM 36 N GLN A 3 4.247 -11.859 -4.411 1.00 0.00 N ATOM 37 CA GLN A 3 3.732 -11.068 -5.520 1.00 0.00 C ATOM 38 C GLN A 3 3.942 -9.584 -5.210 1.00 0.00 C ATOM 39 O GLN A 3 4.350 -9.232 -4.104 1.00 0.00 O ATOM 40 CB GLN A 3 2.237 -11.359 -5.720 1.00 0.00 C ATOM 41 CG GLN A 3 1.966 -12.809 -6.131 1.00 0.00 C ATOM 42 CD GLN A 3 0.488 -13.069 -6.418 1.00 0.00 C ATOM 43 OE1 GLN A 3 -0.303 -12.141 -6.567 1.00 0.00 O ATOM 44 NE2 GLN A 3 0.108 -14.346 -6.496 1.00 0.00 N ATOM 0 H GLN A 3 4.051 -11.437 -3.503 1.00 0.00 H new ATOM 0 HA GLN A 3 4.262 -11.328 -6.436 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.702 -11.142 -4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.840 -10.689 -6.483 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.553 -13.047 -7.018 1.00 0.00 H new ATOM 0 HG3 GLN A 3 2.302 -13.477 -5.338 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.793 -15.091 -6.367 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.867 -14.577 -6.685 1.00 0.00 H new ATOM 53 N GLU A 4 3.650 -8.721 -6.191 1.00 0.00 N ATOM 54 CA GLU A 4 3.634 -7.273 -6.042 1.00 0.00 C ATOM 55 C GLU A 4 2.260 -6.756 -6.464 1.00 0.00 C ATOM 56 O GLU A 4 1.683 -7.267 -7.423 1.00 0.00 O ATOM 57 CB GLU A 4 4.759 -6.644 -6.875 1.00 0.00 C ATOM 58 CG GLU A 4 4.875 -5.135 -6.618 1.00 0.00 C ATOM 59 CD GLU A 4 6.046 -4.526 -7.383 1.00 0.00 C ATOM 60 OE1 GLU A 4 5.858 -4.262 -8.590 1.00 0.00 O ATOM 61 OE2 GLU A 4 7.106 -4.333 -6.749 1.00 0.00 O ATOM 0 H GLU A 4 3.413 -9.027 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 4 3.809 -6.995 -5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.705 -7.129 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.571 -6.820 -7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.949 -4.642 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.004 -4.955 -5.551 1.00 0.00 H new ATOM 68 N THR A 5 1.744 -5.751 -5.746 1.00 0.00 N ATOM 69 CA THR A 5 0.476 -5.102 -6.044 1.00 0.00 C ATOM 70 C THR A 5 0.667 -3.585 -6.044 1.00 0.00 C ATOM 71 O THR A 5 1.242 -3.029 -5.109 1.00 0.00 O ATOM 72 CB THR A 5 -0.615 -5.567 -5.063 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.852 -4.973 -5.402 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.308 -5.271 -3.591 1.00 0.00 C ATOM 0 H THR A 5 2.211 -5.364 -4.926 1.00 0.00 H new ATOM 0 HA THR A 5 0.137 -5.390 -7.039 1.00 0.00 H new ATOM 0 HB THR A 5 -0.655 -6.652 -5.162 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.325 -4.713 -4.584 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.127 -5.631 -2.969 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.615 -5.775 -3.303 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.193 -4.196 -3.452 1.00 0.00 H new ATOM 82 N VAL A 6 0.176 -2.931 -7.104 1.00 0.00 N ATOM 83 CA VAL A 6 0.147 -1.485 -7.240 1.00 0.00 C ATOM 84 C VAL A 6 -1.267 -1.035 -6.886 1.00 0.00 C ATOM 85 O VAL A 6 -2.196 -1.218 -7.672 1.00 0.00 O ATOM 86 CB VAL A 6 0.553 -1.067 -8.666 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.503 0.460 -8.815 1.00 0.00 C ATOM 88 CG2 VAL A 6 1.974 -1.546 -8.991 1.00 0.00 C ATOM 0 H VAL A 6 -0.221 -3.415 -7.909 1.00 0.00 H new ATOM 0 HA VAL A 6 0.863 -1.007 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.153 -1.528 -9.357 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.793 0.736 -9.829 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.510 0.812 -8.619 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.190 0.918 -8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.239 -1.239 -10.003 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.677 -1.107 -8.283 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.017 -2.633 -8.918 1.00 0.00 H new ATOM 98 N ILE A 7 -1.423 -0.456 -5.693 1.00 0.00 N ATOM 99 CA ILE A 7 -2.683 0.091 -5.219 1.00 0.00 C ATOM 100 C ILE A 7 -2.616 1.599 -5.433 1.00 0.00 C ATOM 101 O ILE A 7 -1.673 2.237 -4.976 1.00 0.00 O ATOM 102 CB ILE A 7 -2.905 -0.281 -3.740 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.761 -1.806 -3.569 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.287 0.215 -3.286 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.114 -2.313 -2.170 1.00 0.00 C ATOM 0 H ILE A 7 -0.661 -0.356 -5.023 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.532 -0.320 -5.765 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.155 0.201 -3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.401 -2.305 -4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.734 -2.091 -3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.443 -0.049 -2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.340 1.298 -3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.060 -0.252 -3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.987 -3.395 -2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.457 -1.845 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.150 -2.061 -1.942 1.00 0.00 H new ATOM 117 N ASN A 8 -3.603 2.169 -6.127 1.00 0.00 N ATOM 118 CA ASN A 8 -3.720 3.609 -6.302 1.00 0.00 C ATOM 119 C ASN A 8 -4.222 4.196 -4.986 1.00 0.00 C ATOM 120 O ASN A 8 -5.203 3.697 -4.435 1.00 0.00 O ATOM 121 CB ASN A 8 -4.685 3.946 -7.443 1.00 0.00 C ATOM 122 CG ASN A 8 -4.295 3.261 -8.750 1.00 0.00 C ATOM 123 OD1 ASN A 8 -3.534 3.812 -9.542 1.00 0.00 O ATOM 124 ND2 ASN A 8 -4.816 2.054 -8.981 1.00 0.00 N ATOM 0 H ASN A 8 -4.345 1.638 -6.584 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.751 4.033 -6.564 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.694 3.644 -7.164 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.705 5.026 -7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.586 1.555 -9.840 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.444 1.630 -8.298 1.00 0.00 H new ATOM 131 N ILE A 9 -3.539 5.231 -4.487 1.00 0.00 N ATOM 132 CA ILE A 9 -3.817 5.877 -3.214 1.00 0.00 C ATOM 133 C ILE A 9 -3.935 7.371 -3.493 1.00 0.00 C ATOM 134 O ILE A 9 -2.940 8.093 -3.445 1.00 0.00 O ATOM 135 CB ILE A 9 -2.713 5.569 -2.182 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.475 4.054 -2.056 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.117 6.169 -0.826 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.425 3.697 -0.999 1.00 0.00 C ATOM 0 H ILE A 9 -2.752 5.652 -4.980 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.743 5.502 -2.779 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.777 6.017 -2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.416 3.564 -1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.158 3.660 -3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.343 5.957 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.236 7.248 -0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.059 5.729 -0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.303 2.615 -0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.473 4.160 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.751 4.062 -0.025 1.00 0.00 H new ATOM 150 N ASP A 10 -5.153 7.832 -3.789 1.00 0.00 N ATOM 151 CA ASP A 10 -5.418 9.236 -4.069 1.00 0.00 C ATOM 152 C ASP A 10 -5.994 9.907 -2.822 1.00 0.00 C ATOM 153 O ASP A 10 -6.469 9.239 -1.904 1.00 0.00 O ATOM 154 CB ASP A 10 -6.328 9.371 -5.296 1.00 0.00 C ATOM 155 CG ASP A 10 -5.680 8.748 -6.532 1.00 0.00 C ATOM 156 OD1 ASP A 10 -4.901 9.471 -7.191 1.00 0.00 O ATOM 157 OD2 ASP A 10 -5.970 7.560 -6.792 1.00 0.00 O ATOM 0 H ASP A 10 -5.980 7.238 -3.840 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.489 9.751 -4.314 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.284 8.886 -5.099 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.538 10.424 -5.483 1.00 0.00 H new ATOM 162 N GLY A 11 -5.922 11.241 -2.790 1.00 0.00 N ATOM 163 CA GLY A 11 -6.330 12.043 -1.648 1.00 0.00 C ATOM 164 C GLY A 11 -5.246 12.122 -0.569 1.00 0.00 C ATOM 165 O GLY A 11 -5.562 12.432 0.579 1.00 0.00 O ATOM 0 H GLY A 11 -5.573 11.796 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.577 13.050 -1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.237 11.620 -1.217 1.00 0.00 H new ATOM 169 N MET A 12 -3.976 11.868 -0.922 1.00 0.00 N ATOM 170 CA MET A 12 -2.849 12.115 -0.031 1.00 0.00 C ATOM 171 C MET A 12 -2.517 13.604 -0.076 1.00 0.00 C ATOM 172 O MET A 12 -2.381 14.176 -1.156 1.00 0.00 O ATOM 173 CB MET A 12 -1.627 11.282 -0.436 1.00 0.00 C ATOM 174 CG MET A 12 -1.848 9.784 -0.209 1.00 0.00 C ATOM 175 SD MET A 12 -0.329 8.794 -0.177 1.00 0.00 S ATOM 176 CE MET A 12 0.081 8.732 -1.933 1.00 0.00 C ATOM 0 H MET A 12 -3.710 11.488 -1.830 1.00 0.00 H new ATOM 0 HA MET A 12 -3.119 11.820 0.983 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.401 11.459 -1.487 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.759 11.611 0.136 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.376 9.647 0.735 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.498 9.403 -0.996 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.163 8.785 -2.056 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.288 7.799 -2.360 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.384 9.574 -2.445 1.00 0.00 H new ATOM 186 N THR A 13 -2.396 14.228 1.100 1.00 0.00 N ATOM 187 CA THR A 13 -2.222 15.668 1.224 1.00 0.00 C ATOM 188 C THR A 13 -0.748 16.046 1.074 1.00 0.00 C ATOM 189 O THR A 13 -0.426 16.994 0.360 1.00 0.00 O ATOM 190 CB THR A 13 -2.790 16.129 2.575 1.00 0.00 C ATOM 191 OG1 THR A 13 -4.117 15.665 2.710 1.00 0.00 O ATOM 192 CG2 THR A 13 -2.786 17.657 2.700 1.00 0.00 C ATOM 0 H THR A 13 -2.417 13.740 1.995 1.00 0.00 H new ATOM 0 HA THR A 13 -2.766 16.174 0.427 1.00 0.00 H new ATOM 0 HB THR A 13 -2.156 15.717 3.360 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.480 15.957 3.572 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.195 17.944 3.669 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.764 18.026 2.614 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.396 18.089 1.906 1.00 0.00 H new ATOM 200 N CYS A 14 0.143 15.317 1.758 1.00 0.00 N ATOM 201 CA CYS A 14 1.555 15.673 1.869 1.00 0.00 C ATOM 202 C CYS A 14 2.362 14.483 2.390 1.00 0.00 C ATOM 203 O CYS A 14 1.796 13.439 2.712 1.00 0.00 O ATOM 204 CB CYS A 14 1.713 16.909 2.770 1.00 0.00 C ATOM 205 SG CYS A 14 0.741 16.866 4.295 1.00 0.00 S ATOM 0 H CYS A 14 -0.102 14.459 2.252 1.00 0.00 H new ATOM 0 HA CYS A 14 1.945 15.926 0.883 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.766 17.019 3.030 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.431 17.795 2.201 1.00 0.00 H new ATOM 0 HG CYS A 14 1.165 15.899 5.053 1.00 0.00 H new ATOM 210 N ASN A 15 3.690 14.648 2.456 1.00 0.00 N ATOM 211 CA ASN A 15 4.646 13.598 2.789 1.00 0.00 C ATOM 212 C ASN A 15 4.308 12.861 4.087 1.00 0.00 C ATOM 213 O ASN A 15 4.532 11.659 4.164 1.00 0.00 O ATOM 214 CB ASN A 15 6.067 14.174 2.841 1.00 0.00 C ATOM 215 CG ASN A 15 7.098 13.104 3.205 1.00 0.00 C ATOM 216 OD1 ASN A 15 7.752 13.197 4.240 1.00 0.00 O ATOM 217 ND2 ASN A 15 7.239 12.078 2.362 1.00 0.00 N ATOM 0 H ASN A 15 4.137 15.546 2.272 1.00 0.00 H new ATOM 0 HA ASN A 15 4.585 12.853 1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.319 14.608 1.874 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.106 14.981 3.573 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.908 11.337 2.569 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.677 12.036 1.512 1.00 0.00 H new ATOM 224 N SER A 16 3.768 13.550 5.101 1.00 0.00 N ATOM 225 CA SER A 16 3.349 12.912 6.346 1.00 0.00 C ATOM 226 C SER A 16 2.456 11.692 6.084 1.00 0.00 C ATOM 227 O SER A 16 2.620 10.662 6.736 1.00 0.00 O ATOM 228 CB SER A 16 2.648 13.930 7.250 1.00 0.00 C ATOM 229 OG SER A 16 1.511 14.470 6.610 1.00 0.00 O ATOM 0 H SER A 16 3.612 14.558 5.078 1.00 0.00 H new ATOM 0 HA SER A 16 4.240 12.549 6.858 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.352 13.451 8.183 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.340 14.731 7.508 1.00 0.00 H new ATOM 0 HG SER A 16 1.077 15.117 7.205 1.00 0.00 H new ATOM 235 N CYS A 17 1.536 11.801 5.117 1.00 0.00 N ATOM 236 CA CYS A 17 0.674 10.704 4.705 1.00 0.00 C ATOM 237 C CYS A 17 1.500 9.570 4.100 1.00 0.00 C ATOM 238 O CYS A 17 1.329 8.422 4.497 1.00 0.00 O ATOM 239 CB CYS A 17 -0.410 11.200 3.742 1.00 0.00 C ATOM 240 SG CYS A 17 -1.515 12.425 4.491 1.00 0.00 S ATOM 0 H CYS A 17 1.374 12.664 4.599 1.00 0.00 H new ATOM 0 HA CYS A 17 0.169 10.306 5.585 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.065 11.636 2.863 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.999 10.350 3.398 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.715 11.932 4.576 1.00 0.00 H new ATOM 245 N VAL A 18 2.401 9.889 3.161 1.00 0.00 N ATOM 246 CA VAL A 18 3.290 8.922 2.520 1.00 0.00 C ATOM 247 C VAL A 18 4.034 8.099 3.578 1.00 0.00 C ATOM 248 O VAL A 18 3.985 6.870 3.549 1.00 0.00 O ATOM 249 CB VAL A 18 4.270 9.638 1.568 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.233 8.657 0.888 1.00 0.00 C ATOM 251 CG2 VAL A 18 3.523 10.409 0.473 1.00 0.00 C ATOM 0 H VAL A 18 2.531 10.842 2.823 1.00 0.00 H new ATOM 0 HA VAL A 18 2.692 8.234 1.923 1.00 0.00 H new ATOM 0 HB VAL A 18 4.839 10.329 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.904 9.205 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.817 8.135 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.663 7.932 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.243 10.902 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.917 9.716 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.877 11.158 0.931 1.00 0.00 H new ATOM 261 N GLN A 19 4.710 8.779 4.512 1.00 0.00 N ATOM 262 CA GLN A 19 5.484 8.148 5.572 1.00 0.00 C ATOM 263 C GLN A 19 4.596 7.307 6.492 1.00 0.00 C ATOM 264 O GLN A 19 4.981 6.198 6.854 1.00 0.00 O ATOM 265 CB GLN A 19 6.253 9.202 6.384 1.00 0.00 C ATOM 266 CG GLN A 19 7.225 10.054 5.553 1.00 0.00 C ATOM 267 CD GLN A 19 8.140 9.237 4.645 1.00 0.00 C ATOM 268 OE1 GLN A 19 8.150 9.436 3.432 1.00 0.00 O ATOM 269 NE2 GLN A 19 8.914 8.317 5.226 1.00 0.00 N ATOM 0 H GLN A 19 4.731 9.798 4.547 1.00 0.00 H new ATOM 0 HA GLN A 19 6.203 7.478 5.100 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.536 9.862 6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.812 8.699 7.173 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.651 10.751 4.942 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.838 10.651 6.228 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.876 8.183 6.236 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.543 7.748 4.659 1.00 0.00 H new ATOM 278 N SER A 20 3.420 7.824 6.872 1.00 0.00 N ATOM 279 CA SER A 20 2.483 7.116 7.737 1.00 0.00 C ATOM 280 C SER A 20 2.053 5.793 7.099 1.00 0.00 C ATOM 281 O SER A 20 2.168 4.741 7.725 1.00 0.00 O ATOM 282 CB SER A 20 1.276 8.012 8.043 1.00 0.00 C ATOM 283 OG SER A 20 0.384 7.362 8.924 1.00 0.00 O ATOM 0 H SER A 20 3.096 8.748 6.584 1.00 0.00 H new ATOM 0 HA SER A 20 2.977 6.878 8.679 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.615 8.949 8.486 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.760 8.265 7.117 1.00 0.00 H new ATOM 0 HG SER A 20 -0.379 7.949 9.109 1.00 0.00 H new ATOM 289 N ILE A 21 1.564 5.852 5.855 1.00 0.00 N ATOM 290 CA ILE A 21 1.115 4.695 5.093 1.00 0.00 C ATOM 291 C ILE A 21 2.250 3.673 4.996 1.00 0.00 C ATOM 292 O ILE A 21 2.055 2.506 5.329 1.00 0.00 O ATOM 293 CB ILE A 21 0.631 5.151 3.702 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.623 6.038 3.817 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.315 3.950 2.797 1.00 0.00 C ATOM 296 CD1 ILE A 21 -0.798 6.897 2.563 1.00 0.00 C ATOM 0 H ILE A 21 1.470 6.729 5.343 1.00 0.00 H new ATOM 0 HA ILE A 21 0.277 4.214 5.597 1.00 0.00 H new ATOM 0 HB ILE A 21 1.442 5.727 3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.504 5.413 3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.541 6.680 4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.023 4.307 1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.212 3.345 2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.468 3.346 3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.690 7.515 2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.075 7.538 2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.904 6.251 1.691 1.00 0.00 H new ATOM 308 N GLU A 22 3.428 4.124 4.546 1.00 0.00 N ATOM 309 CA GLU A 22 4.618 3.302 4.388 1.00 0.00 C ATOM 310 C GLU A 22 4.933 2.557 5.689 1.00 0.00 C ATOM 311 O GLU A 22 5.041 1.332 5.687 1.00 0.00 O ATOM 312 CB GLU A 22 5.775 4.200 3.914 1.00 0.00 C ATOM 313 CG GLU A 22 7.042 3.431 3.517 1.00 0.00 C ATOM 314 CD GLU A 22 7.803 2.864 4.713 1.00 0.00 C ATOM 315 OE1 GLU A 22 8.116 3.663 5.623 1.00 0.00 O ATOM 316 OE2 GLU A 22 8.062 1.641 4.697 1.00 0.00 O ATOM 0 H GLU A 22 3.576 5.097 4.277 1.00 0.00 H new ATOM 0 HA GLU A 22 4.456 2.533 3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.438 4.789 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.024 4.904 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.769 2.614 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.701 4.094 2.957 1.00 0.00 H new ATOM 323 N GLY A 23 5.070 3.300 6.792 1.00 0.00 N ATOM 324 CA GLY A 23 5.402 2.769 8.103 1.00 0.00 C ATOM 325 C GLY A 23 4.399 1.711 8.560 1.00 0.00 C ATOM 326 O GLY A 23 4.792 0.601 8.910 1.00 0.00 O ATOM 0 H GLY A 23 4.948 4.313 6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.401 2.334 8.076 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.428 3.582 8.828 1.00 0.00 H new ATOM 330 N VAL A 24 3.107 2.052 8.553 1.00 0.00 N ATOM 331 CA VAL A 24 2.040 1.165 9.000 1.00 0.00 C ATOM 332 C VAL A 24 2.032 -0.136 8.189 1.00 0.00 C ATOM 333 O VAL A 24 2.010 -1.221 8.769 1.00 0.00 O ATOM 334 CB VAL A 24 0.694 1.913 8.946 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.496 0.968 9.152 1.00 0.00 C ATOM 336 CG2 VAL A 24 0.644 2.991 10.038 1.00 0.00 C ATOM 0 H VAL A 24 2.774 2.961 8.233 1.00 0.00 H new ATOM 0 HA VAL A 24 2.215 0.873 10.036 1.00 0.00 H new ATOM 0 HB VAL A 24 0.621 2.362 7.956 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.425 1.537 9.106 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.497 0.208 8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.413 0.486 10.126 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.312 3.513 9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.753 2.523 11.016 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.455 3.703 9.884 1.00 0.00 H new ATOM 346 N ILE A 25 2.047 -0.036 6.855 1.00 0.00 N ATOM 347 CA ILE A 25 1.938 -1.193 5.975 1.00 0.00 C ATOM 348 C ILE A 25 3.184 -2.081 6.052 1.00 0.00 C ATOM 349 O ILE A 25 3.049 -3.302 6.070 1.00 0.00 O ATOM 350 CB ILE A 25 1.593 -0.748 4.542 1.00 0.00 C ATOM 351 CG1 ILE A 25 0.186 -0.123 4.537 1.00 0.00 C ATOM 352 CG2 ILE A 25 1.633 -1.944 3.581 1.00 0.00 C ATOM 353 CD1 ILE A 25 -0.220 0.421 3.168 1.00 0.00 C ATOM 0 H ILE A 25 2.135 0.852 6.360 1.00 0.00 H new ATOM 0 HA ILE A 25 1.114 -1.818 6.319 1.00 0.00 H new ATOM 0 HB ILE A 25 2.328 -0.015 4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.540 -0.872 4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.150 0.685 5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.386 -1.609 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.632 -2.380 3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.909 -2.693 3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.221 0.848 3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.486 1.192 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.215 -0.389 2.439 1.00 0.00 H new ATOM 365 N SER A 26 4.387 -1.491 6.105 1.00 0.00 N ATOM 366 CA SER A 26 5.642 -2.240 6.163 1.00 0.00 C ATOM 367 C SER A 26 5.702 -3.231 7.334 1.00 0.00 C ATOM 368 O SER A 26 6.427 -4.220 7.255 1.00 0.00 O ATOM 369 CB SER A 26 6.837 -1.280 6.203 1.00 0.00 C ATOM 370 OG SER A 26 6.837 -0.507 7.383 1.00 0.00 O ATOM 0 H SER A 26 4.513 -0.479 6.109 1.00 0.00 H new ATOM 0 HA SER A 26 5.690 -2.838 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.765 -1.849 6.139 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.806 -0.622 5.335 1.00 0.00 H new ATOM 0 HG SER A 26 5.913 -0.320 7.651 1.00 0.00 H new ATOM 376 N LYS A 27 4.942 -2.974 8.407 1.00 0.00 N ATOM 377 CA LYS A 27 4.949 -3.774 9.624 1.00 0.00 C ATOM 378 C LYS A 27 3.934 -4.924 9.567 1.00 0.00 C ATOM 379 O LYS A 27 3.946 -5.776 10.455 1.00 0.00 O ATOM 380 CB LYS A 27 4.654 -2.855 10.817 1.00 0.00 C ATOM 381 CG LYS A 27 5.769 -1.821 11.018 1.00 0.00 C ATOM 382 CD LYS A 27 5.334 -0.758 12.031 1.00 0.00 C ATOM 383 CE LYS A 27 6.411 0.322 12.161 1.00 0.00 C ATOM 384 NZ LYS A 27 6.008 1.367 13.116 1.00 0.00 N ATOM 0 H LYS A 27 4.295 -2.187 8.447 1.00 0.00 H new ATOM 0 HA LYS A 27 5.932 -4.231 9.733 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.705 -2.343 10.657 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.544 -3.454 11.721 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.675 -2.317 11.367 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.011 -1.348 10.066 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.393 -0.307 11.715 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.155 -1.222 13.001 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.346 -0.132 12.489 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.599 0.771 11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.758 2.084 13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.128 1.815 12.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.853 0.941 14.052 1.00 0.00 H new ATOM 398 N LYS A 28 3.063 -4.976 8.548 1.00 0.00 N ATOM 399 CA LYS A 28 2.084 -6.048 8.416 1.00 0.00 C ATOM 400 C LYS A 28 2.776 -7.366 8.048 1.00 0.00 C ATOM 401 O LYS A 28 3.701 -7.359 7.235 1.00 0.00 O ATOM 402 CB LYS A 28 1.058 -5.709 7.330 1.00 0.00 C ATOM 403 CG LYS A 28 0.119 -4.577 7.748 1.00 0.00 C ATOM 404 CD LYS A 28 -0.847 -4.291 6.593 1.00 0.00 C ATOM 405 CE LYS A 28 -1.995 -3.378 7.022 1.00 0.00 C ATOM 406 NZ LYS A 28 -1.516 -2.079 7.520 1.00 0.00 N ATOM 0 H LYS A 28 3.023 -4.280 7.803 1.00 0.00 H new ATOM 0 HA LYS A 28 1.578 -6.157 9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.580 -5.425 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.471 -6.598 7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.435 -4.857 8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.691 -3.682 7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.302 -3.827 5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.252 -5.231 6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.664 -3.217 6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.578 -3.871 7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.330 -1.474 7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.940 -2.225 8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.939 -1.618 6.788 1.00 0.00 H new ATOM 420 N PRO A 29 2.334 -8.503 8.613 1.00 0.00 N ATOM 421 CA PRO A 29 2.877 -9.806 8.279 1.00 0.00 C ATOM 422 C PRO A 29 2.537 -10.134 6.827 1.00 0.00 C ATOM 423 O PRO A 29 1.384 -10.022 6.414 1.00 0.00 O ATOM 424 CB PRO A 29 2.234 -10.791 9.256 1.00 0.00 C ATOM 425 CG PRO A 29 0.901 -10.127 9.600 1.00 0.00 C ATOM 426 CD PRO A 29 1.230 -8.634 9.551 1.00 0.00 C ATOM 0 HA PRO A 29 3.963 -9.848 8.366 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.090 -11.771 8.802 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.851 -10.938 10.143 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.123 -10.391 8.884 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.544 -10.428 10.585 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.367 -8.054 9.223 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.508 -8.262 10.537 1.00 0.00 H new ATOM 434 N GLY A 30 3.559 -10.518 6.057 1.00 0.00 N ATOM 435 CA GLY A 30 3.443 -10.776 4.633 1.00 0.00 C ATOM 436 C GLY A 30 4.132 -9.696 3.811 1.00 0.00 C ATOM 437 O GLY A 30 4.758 -10.020 2.804 1.00 0.00 O ATOM 0 H GLY A 30 4.502 -10.658 6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.882 -11.746 4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.390 -10.828 4.357 1.00 0.00 H new ATOM 441 N VAL A 31 4.020 -8.426 4.225 1.00 0.00 N ATOM 442 CA VAL A 31 4.644 -7.315 3.518 1.00 0.00 C ATOM 443 C VAL A 31 6.159 -7.384 3.700 1.00 0.00 C ATOM 444 O VAL A 31 6.639 -7.656 4.799 1.00 0.00 O ATOM 445 CB VAL A 31 4.079 -5.968 4.000 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.776 -4.806 3.278 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.573 -5.896 3.722 1.00 0.00 C ATOM 0 H VAL A 31 3.496 -8.148 5.055 1.00 0.00 H new ATOM 0 HA VAL A 31 4.417 -7.394 2.455 1.00 0.00 H new ATOM 0 HB VAL A 31 4.258 -5.888 5.072 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.365 -3.860 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.845 -4.837 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.613 -4.895 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.185 -4.938 4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.396 -5.994 2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.067 -6.704 4.249 1.00 0.00 H new ATOM 457 N LYS A 32 6.897 -7.132 2.612 1.00 0.00 N ATOM 458 CA LYS A 32 8.350 -7.081 2.601 1.00 0.00 C ATOM 459 C LYS A 32 8.775 -5.646 2.284 1.00 0.00 C ATOM 460 O LYS A 32 8.784 -4.810 3.186 1.00 0.00 O ATOM 461 CB LYS A 32 8.898 -8.138 1.631 1.00 0.00 C ATOM 462 CG LYS A 32 8.509 -9.542 2.117 1.00 0.00 C ATOM 463 CD LYS A 32 9.171 -10.631 1.266 1.00 0.00 C ATOM 464 CE LYS A 32 8.702 -12.030 1.685 1.00 0.00 C ATOM 465 NZ LYS A 32 9.053 -12.342 3.081 1.00 0.00 N ATOM 0 H LYS A 32 6.483 -6.955 1.697 1.00 0.00 H new ATOM 0 HA LYS A 32 8.776 -7.332 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.501 -7.967 0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.983 -8.054 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.804 -9.663 3.159 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.426 -9.655 2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.936 -10.466 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.254 -10.564 1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.622 -12.101 1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.149 -12.774 1.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.823 -13.336 3.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.071 -12.185 3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.513 -11.725 3.721 1.00 0.00 H new ATOM 479 N SER A 33 9.115 -5.349 1.023 1.00 0.00 N ATOM 480 CA SER A 33 9.467 -4.001 0.593 1.00 0.00 C ATOM 481 C SER A 33 8.216 -3.255 0.121 1.00 0.00 C ATOM 482 O SER A 33 7.228 -3.875 -0.276 1.00 0.00 O ATOM 483 CB SER A 33 10.553 -4.056 -0.485 1.00 0.00 C ATOM 484 OG SER A 33 10.104 -4.752 -1.627 1.00 0.00 O ATOM 0 H SER A 33 9.152 -6.042 0.275 1.00 0.00 H new ATOM 0 HA SER A 33 9.877 -3.445 1.436 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.844 -3.043 -0.764 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.442 -4.544 -0.085 1.00 0.00 H new ATOM 0 HG SER A 33 10.519 -5.639 -1.654 1.00 0.00 H new ATOM 490 N ILE A 34 8.260 -1.920 0.181 1.00 0.00 N ATOM 491 CA ILE A 34 7.152 -1.048 -0.181 1.00 0.00 C ATOM 492 C ILE A 34 7.690 0.290 -0.697 1.00 0.00 C ATOM 493 O ILE A 34 8.687 0.792 -0.179 1.00 0.00 O ATOM 494 CB ILE A 34 6.191 -0.887 1.014 1.00 0.00 C ATOM 495 CG1 ILE A 34 5.071 0.104 0.657 1.00 0.00 C ATOM 496 CG2 ILE A 34 6.925 -0.455 2.292 1.00 0.00 C ATOM 497 CD1 ILE A 34 3.894 0.046 1.632 1.00 0.00 C ATOM 0 H ILE A 34 9.088 -1.410 0.490 1.00 0.00 H new ATOM 0 HA ILE A 34 6.575 -1.495 -0.991 1.00 0.00 H new ATOM 0 HB ILE A 34 5.749 -1.861 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.477 1.115 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.713 -0.107 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.208 -0.354 3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.670 -1.206 2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.418 0.502 2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.135 0.767 1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.465 -0.956 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.242 0.286 2.637 1.00 0.00 H new ATOM 509 N ARG A 35 7.019 0.863 -1.707 1.00 0.00 N ATOM 510 CA ARG A 35 7.290 2.197 -2.233 1.00 0.00 C ATOM 511 C ARG A 35 5.970 2.969 -2.314 1.00 0.00 C ATOM 512 O ARG A 35 5.162 2.700 -3.202 1.00 0.00 O ATOM 513 CB ARG A 35 7.932 2.118 -3.627 1.00 0.00 C ATOM 514 CG ARG A 35 9.268 1.360 -3.674 1.00 0.00 C ATOM 515 CD ARG A 35 9.176 0.122 -4.574 1.00 0.00 C ATOM 516 NE ARG A 35 8.242 -0.876 -4.032 1.00 0.00 N ATOM 517 CZ ARG A 35 8.564 -2.057 -3.479 1.00 0.00 C ATOM 518 NH1 ARG A 35 9.836 -2.445 -3.325 1.00 0.00 N ATOM 519 NH2 ARG A 35 7.582 -2.866 -3.067 1.00 0.00 N ATOM 0 H ARG A 35 6.253 0.393 -2.190 1.00 0.00 H new ATOM 0 HA ARG A 35 7.987 2.708 -1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.231 1.635 -4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.091 3.131 -3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.051 2.022 -4.042 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.553 1.059 -2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.852 0.420 -5.571 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.165 -0.325 -4.681 1.00 0.00 H new ATOM 0 HE ARG A 35 7.249 -0.648 -4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.595 -1.837 -3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.046 -3.349 -2.901 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.608 -2.582 -3.175 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.807 -3.767 -2.645 1.00 0.00 H new ATOM 533 N VAL A 36 5.756 3.927 -1.401 1.00 0.00 N ATOM 534 CA VAL A 36 4.623 4.847 -1.440 1.00 0.00 C ATOM 535 C VAL A 36 5.098 6.160 -2.069 1.00 0.00 C ATOM 536 O VAL A 36 6.186 6.632 -1.742 1.00 0.00 O ATOM 537 CB VAL A 36 4.038 5.064 -0.031 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.708 5.828 -0.108 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.781 3.733 0.684 1.00 0.00 C ATOM 0 H VAL A 36 6.376 4.082 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 36 3.818 4.428 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 36 4.774 5.640 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.312 5.971 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.873 6.799 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.994 5.257 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.369 3.926 1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.073 3.140 0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.718 3.185 0.782 1.00 0.00 H new ATOM 549 N SER A 37 4.297 6.739 -2.974 1.00 0.00 N ATOM 550 CA SER A 37 4.649 7.948 -3.708 1.00 0.00 C ATOM 551 C SER A 37 3.443 8.877 -3.815 1.00 0.00 C ATOM 552 O SER A 37 2.385 8.461 -4.282 1.00 0.00 O ATOM 553 CB SER A 37 5.150 7.569 -5.105 1.00 0.00 C ATOM 554 OG SER A 37 5.376 8.729 -5.882 1.00 0.00 O ATOM 0 H SER A 37 3.377 6.371 -3.215 1.00 0.00 H new ATOM 0 HA SER A 37 5.439 8.473 -3.171 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.072 6.994 -5.023 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.418 6.930 -5.599 1.00 0.00 H new ATOM 0 HG SER A 37 5.483 8.477 -6.823 1.00 0.00 H new ATOM 560 N LEU A 38 3.624 10.140 -3.404 1.00 0.00 N ATOM 561 CA LEU A 38 2.661 11.216 -3.598 1.00 0.00 C ATOM 562 C LEU A 38 2.585 11.584 -5.080 1.00 0.00 C ATOM 563 O LEU A 38 1.491 11.732 -5.622 1.00 0.00 O ATOM 564 CB LEU A 38 3.069 12.423 -2.740 1.00 0.00 C ATOM 565 CG LEU A 38 2.153 13.651 -2.880 1.00 0.00 C ATOM 566 CD1 LEU A 38 0.716 13.351 -2.439 1.00 0.00 C ATOM 567 CD2 LEU A 38 2.712 14.786 -2.014 1.00 0.00 C ATOM 0 H LEU A 38 4.467 10.442 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 38 1.669 10.890 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.087 12.118 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.086 12.713 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 38 2.128 13.934 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.105 14.246 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.306 12.550 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.713 13.043 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.071 15.663 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.744 14.467 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.719 15.037 -2.348 1.00 0.00 H new ATOM 579 N ALA A 39 3.750 11.724 -5.729 1.00 0.00 N ATOM 580 CA ALA A 39 3.872 12.081 -7.137 1.00 0.00 C ATOM 581 C ALA A 39 3.036 11.157 -8.024 1.00 0.00 C ATOM 582 O ALA A 39 2.302 11.634 -8.888 1.00 0.00 O ATOM 583 CB ALA A 39 5.347 12.047 -7.548 1.00 0.00 C ATOM 0 H ALA A 39 4.652 11.587 -5.272 1.00 0.00 H new ATOM 0 HA ALA A 39 3.486 13.091 -7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.438 12.314 -8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.910 12.758 -6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.745 11.044 -7.392 1.00 0.00 H new ATOM 589 N ASN A 40 3.138 9.841 -7.798 1.00 0.00 N ATOM 590 CA ASN A 40 2.369 8.841 -8.530 1.00 0.00 C ATOM 591 C ASN A 40 1.024 8.548 -7.852 1.00 0.00 C ATOM 592 O ASN A 40 0.174 7.907 -8.466 1.00 0.00 O ATOM 593 CB ASN A 40 3.198 7.559 -8.663 1.00 0.00 C ATOM 594 CG ASN A 40 4.500 7.791 -9.426 1.00 0.00 C ATOM 595 OD1 ASN A 40 5.582 7.729 -8.847 1.00 0.00 O ATOM 596 ND2 ASN A 40 4.402 8.057 -10.729 1.00 0.00 N ATOM 0 H ASN A 40 3.762 9.443 -7.096 1.00 0.00 H new ATOM 0 HA ASN A 40 2.147 9.236 -9.521 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.425 7.170 -7.670 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.609 6.799 -9.176 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.244 8.218 -11.281 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.485 8.100 -11.173 1.00 0.00 H new ATOM 603 N SER A 41 0.827 9.008 -6.606 1.00 0.00 N ATOM 604 CA SER A 41 -0.379 8.802 -5.812 1.00 0.00 C ATOM 605 C SER A 41 -0.719 7.314 -5.734 1.00 0.00 C ATOM 606 O SER A 41 -1.802 6.894 -6.141 1.00 0.00 O ATOM 607 CB SER A 41 -1.532 9.658 -6.353 1.00 0.00 C ATOM 608 OG SER A 41 -1.227 11.029 -6.202 1.00 0.00 O ATOM 0 H SER A 41 1.534 9.553 -6.112 1.00 0.00 H new ATOM 0 HA SER A 41 -0.201 9.134 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.704 9.429 -7.405 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.453 9.421 -5.820 1.00 0.00 H new ATOM 0 HG SER A 41 -0.279 11.130 -5.975 1.00 0.00 H new ATOM 614 N ASN A 42 0.225 6.515 -5.219 1.00 0.00 N ATOM 615 CA ASN A 42 0.099 5.066 -5.175 1.00 0.00 C ATOM 616 C ASN A 42 0.967 4.450 -4.078 1.00 0.00 C ATOM 617 O ASN A 42 1.764 5.135 -3.438 1.00 0.00 O ATOM 618 CB ASN A 42 0.399 4.458 -6.559 1.00 0.00 C ATOM 619 CG ASN A 42 1.869 4.534 -6.976 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.698 5.140 -6.303 1.00 0.00 O ATOM 621 ND2 ASN A 42 2.201 3.903 -8.104 1.00 0.00 N ATOM 0 H ASN A 42 1.097 6.864 -4.822 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.933 4.825 -4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.087 3.414 -6.559 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.205 4.971 -7.307 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.168 3.915 -8.430 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.488 3.408 -8.640 1.00 0.00 H new ATOM 628 N GLY A 43 0.790 3.138 -3.895 1.00 0.00 N ATOM 629 CA GLY A 43 1.547 2.277 -3.009 1.00 0.00 C ATOM 630 C GLY A 43 1.857 0.985 -3.758 1.00 0.00 C ATOM 631 O GLY A 43 0.952 0.197 -4.029 1.00 0.00 O ATOM 0 H GLY A 43 0.066 2.626 -4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.469 2.767 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.977 2.066 -2.104 1.00 0.00 H new ATOM 635 N THR A 44 3.137 0.778 -4.085 1.00 0.00 N ATOM 636 CA THR A 44 3.637 -0.411 -4.758 1.00 0.00 C ATOM 637 C THR A 44 4.229 -1.308 -3.676 1.00 0.00 C ATOM 638 O THR A 44 5.333 -1.052 -3.199 1.00 0.00 O ATOM 639 CB THR A 44 4.673 -0.006 -5.817 1.00 0.00 C ATOM 640 OG1 THR A 44 4.051 0.814 -6.785 1.00 0.00 O ATOM 641 CG2 THR A 44 5.279 -1.230 -6.512 1.00 0.00 C ATOM 0 H THR A 44 3.870 1.457 -3.880 1.00 0.00 H new ATOM 0 HA THR A 44 2.850 -0.950 -5.286 1.00 0.00 H new ATOM 0 HB THR A 44 5.477 0.533 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.709 1.077 -7.462 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.007 -0.903 -7.254 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.772 -1.861 -5.773 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.489 -1.797 -7.004 1.00 0.00 H new ATOM 649 N VAL A 45 3.470 -2.337 -3.281 1.00 0.00 N ATOM 650 CA VAL A 45 3.753 -3.180 -2.129 1.00 0.00 C ATOM 651 C VAL A 45 4.143 -4.578 -2.606 1.00 0.00 C ATOM 652 O VAL A 45 3.379 -5.199 -3.342 1.00 0.00 O ATOM 653 CB VAL A 45 2.505 -3.260 -1.225 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.865 -3.912 0.116 1.00 0.00 C ATOM 655 CG2 VAL A 45 1.878 -1.884 -0.965 1.00 0.00 C ATOM 0 H VAL A 45 2.619 -2.608 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 45 4.577 -2.753 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 45 1.770 -3.866 -1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.977 -3.963 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.244 -4.919 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.630 -3.318 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.004 -1.998 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.607 -1.239 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.577 -1.436 -1.912 1.00 0.00 H new ATOM 665 N GLU A 46 5.312 -5.074 -2.176 1.00 0.00 N ATOM 666 CA GLU A 46 5.709 -6.466 -2.354 1.00 0.00 C ATOM 667 C GLU A 46 5.244 -7.225 -1.114 1.00 0.00 C ATOM 668 O GLU A 46 5.530 -6.804 0.007 1.00 0.00 O ATOM 669 CB GLU A 46 7.222 -6.584 -2.555 1.00 0.00 C ATOM 670 CG GLU A 46 7.599 -6.181 -3.986 1.00 0.00 C ATOM 671 CD GLU A 46 9.109 -6.127 -4.194 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.787 -7.064 -3.718 1.00 0.00 O ATOM 673 OE2 GLU A 46 9.563 -5.150 -4.828 1.00 0.00 O ATOM 0 H GLU A 46 6.010 -4.510 -1.691 1.00 0.00 H new ATOM 0 HA GLU A 46 5.251 -6.889 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.742 -5.946 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.543 -7.607 -2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.163 -6.892 -4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.168 -5.205 -4.212 1.00 0.00 H new ATOM 680 N TYR A 47 4.512 -8.326 -1.321 1.00 0.00 N ATOM 681 CA TYR A 47 3.806 -9.030 -0.262 1.00 0.00 C ATOM 682 C TYR A 47 3.760 -10.538 -0.513 1.00 0.00 C ATOM 683 O TYR A 47 4.050 -10.998 -1.616 1.00 0.00 O ATOM 684 CB TYR A 47 2.384 -8.464 -0.148 1.00 0.00 C ATOM 685 CG TYR A 47 1.457 -8.893 -1.274 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.596 -8.344 -2.563 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.468 -9.866 -1.037 1.00 0.00 C ATOM 688 CE1 TYR A 47 0.800 -8.815 -3.621 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.357 -10.301 -2.086 1.00 0.00 C ATOM 690 CZ TYR A 47 -0.185 -9.787 -3.380 1.00 0.00 C ATOM 691 OH TYR A 47 -0.972 -10.241 -4.396 1.00 0.00 O ATOM 0 H TYR A 47 4.397 -8.752 -2.241 1.00 0.00 H new ATOM 0 HA TYR A 47 4.345 -8.878 0.673 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.954 -8.778 0.803 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.437 -7.375 -0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.316 -7.559 -2.739 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.344 -10.278 -0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.946 -8.430 -4.619 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.127 -11.034 -1.896 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.455 -10.850 -4.963 1.00 0.00 H new ATOM 701 N ASP A 48 3.372 -11.290 0.524 1.00 0.00 N ATOM 702 CA ASP A 48 3.154 -12.729 0.481 1.00 0.00 C ATOM 703 C ASP A 48 1.642 -13.017 0.499 1.00 0.00 C ATOM 704 O ASP A 48 1.010 -12.788 1.530 1.00 0.00 O ATOM 705 CB ASP A 48 3.864 -13.368 1.682 1.00 0.00 C ATOM 706 CG ASP A 48 3.864 -14.893 1.604 1.00 0.00 C ATOM 707 OD1 ASP A 48 2.755 -15.466 1.638 1.00 0.00 O ATOM 708 OD2 ASP A 48 4.975 -15.459 1.514 1.00 0.00 O ATOM 0 H ASP A 48 3.197 -10.892 1.447 1.00 0.00 H new ATOM 0 HA ASP A 48 3.565 -13.156 -0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.892 -13.008 1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.373 -13.052 2.603 1.00 0.00 H new ATOM 713 N PRO A 49 1.056 -13.521 -0.606 1.00 0.00 N ATOM 714 CA PRO A 49 -0.354 -13.889 -0.725 1.00 0.00 C ATOM 715 C PRO A 49 -0.944 -14.694 0.436 1.00 0.00 C ATOM 716 O PRO A 49 -2.104 -14.489 0.788 1.00 0.00 O ATOM 717 CB PRO A 49 -0.469 -14.661 -2.039 1.00 0.00 C ATOM 718 CG PRO A 49 0.596 -13.992 -2.899 1.00 0.00 C ATOM 719 CD PRO A 49 1.710 -13.713 -1.891 1.00 0.00 C ATOM 0 HA PRO A 49 -0.946 -12.974 -0.701 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.275 -15.725 -1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.463 -14.572 -2.478 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.933 -14.642 -3.706 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.228 -13.076 -3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.414 -14.544 -1.849 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.279 -12.827 -2.175 1.00 0.00 H new ATOM 727 N LEU A 50 -0.170 -15.614 1.025 1.00 0.00 N ATOM 728 CA LEU A 50 -0.656 -16.479 2.090 1.00 0.00 C ATOM 729 C LEU A 50 -0.892 -15.691 3.385 1.00 0.00 C ATOM 730 O LEU A 50 -1.766 -16.059 4.168 1.00 0.00 O ATOM 731 CB LEU A 50 0.309 -17.649 2.343 1.00 0.00 C ATOM 732 CG LEU A 50 0.448 -18.628 1.160 1.00 0.00 C ATOM 733 CD1 LEU A 50 1.466 -18.175 0.104 1.00 0.00 C ATOM 734 CD2 LEU A 50 0.895 -19.995 1.695 1.00 0.00 C ATOM 0 H LEU A 50 0.805 -15.774 0.773 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.611 -16.889 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.293 -17.247 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.032 -18.202 3.218 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.528 -18.672 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.511 -18.912 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.162 -17.212 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.449 -18.079 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.996 -20.695 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.855 -19.891 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.152 -20.371 2.398 1.00 0.00 H new ATOM 746 N LEU A 51 -0.113 -14.625 3.614 1.00 0.00 N ATOM 747 CA LEU A 51 -0.107 -13.867 4.858 1.00 0.00 C ATOM 748 C LEU A 51 -0.932 -12.579 4.751 1.00 0.00 C ATOM 749 O LEU A 51 -1.529 -12.162 5.742 1.00 0.00 O ATOM 750 CB LEU A 51 1.346 -13.577 5.258 1.00 0.00 C ATOM 751 CG LEU A 51 2.177 -14.847 5.522 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.640 -14.460 5.767 1.00 0.00 C ATOM 753 CD2 LEU A 51 1.661 -15.634 6.733 1.00 0.00 C ATOM 0 H LEU A 51 0.542 -14.264 2.921 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.582 -14.464 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.823 -12.998 4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.351 -12.957 6.154 1.00 0.00 H new ATOM 0 HG LEU A 51 2.088 -15.484 4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.228 -15.359 5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.032 -13.946 4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.702 -13.800 6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.278 -16.521 6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.710 -15.006 7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.628 -15.935 6.558 1.00 0.00 H new ATOM 765 N THR A 52 -0.983 -11.951 3.568 1.00 0.00 N ATOM 766 CA THR A 52 -1.819 -10.782 3.304 1.00 0.00 C ATOM 767 C THR A 52 -2.231 -10.773 1.829 1.00 0.00 C ATOM 768 O THR A 52 -1.720 -11.570 1.048 1.00 0.00 O ATOM 769 CB THR A 52 -1.089 -9.496 3.728 1.00 0.00 C ATOM 770 OG1 THR A 52 -1.983 -8.402 3.710 1.00 0.00 O ATOM 771 CG2 THR A 52 0.106 -9.175 2.824 1.00 0.00 C ATOM 0 H THR A 52 -0.436 -12.248 2.760 1.00 0.00 H new ATOM 0 HA THR A 52 -2.731 -10.831 3.899 1.00 0.00 H new ATOM 0 HB THR A 52 -0.713 -9.666 4.737 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.510 -7.588 3.983 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.586 -8.258 3.167 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.822 -9.996 2.863 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.239 -9.042 1.799 1.00 0.00 H new ATOM 779 N SER A 53 -3.156 -9.881 1.450 1.00 0.00 N ATOM 780 CA SER A 53 -3.705 -9.799 0.100 1.00 0.00 C ATOM 781 C SER A 53 -3.828 -8.336 -0.346 1.00 0.00 C ATOM 782 O SER A 53 -3.822 -7.445 0.504 1.00 0.00 O ATOM 783 CB SER A 53 -5.070 -10.501 0.068 1.00 0.00 C ATOM 784 OG SER A 53 -6.051 -9.723 0.722 1.00 0.00 O ATOM 0 H SER A 53 -3.547 -9.187 2.087 1.00 0.00 H new ATOM 0 HA SER A 53 -3.032 -10.299 -0.596 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.369 -10.677 -0.965 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.993 -11.476 0.548 1.00 0.00 H new ATOM 0 HG SER A 53 -6.913 -10.188 0.689 1.00 0.00 H new ATOM 790 N PRO A 54 -3.965 -8.066 -1.658 1.00 0.00 N ATOM 791 CA PRO A 54 -4.247 -6.733 -2.176 1.00 0.00 C ATOM 792 C PRO A 54 -5.474 -6.107 -1.512 1.00 0.00 C ATOM 793 O PRO A 54 -5.476 -4.913 -1.230 1.00 0.00 O ATOM 794 CB PRO A 54 -4.459 -6.902 -3.683 1.00 0.00 C ATOM 795 CG PRO A 54 -3.659 -8.160 -4.004 1.00 0.00 C ATOM 796 CD PRO A 54 -3.895 -9.013 -2.761 1.00 0.00 C ATOM 0 HA PRO A 54 -3.422 -6.054 -1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.514 -7.020 -3.931 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.095 -6.039 -4.241 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.016 -8.651 -4.909 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.602 -7.943 -4.155 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.818 -9.587 -2.846 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.086 -9.729 -2.615 1.00 0.00 H new ATOM 804 N GLU A 55 -6.510 -6.918 -1.262 1.00 0.00 N ATOM 805 CA GLU A 55 -7.752 -6.477 -0.649 1.00 0.00 C ATOM 806 C GLU A 55 -7.545 -6.082 0.816 1.00 0.00 C ATOM 807 O GLU A 55 -8.119 -5.092 1.263 1.00 0.00 O ATOM 808 CB GLU A 55 -8.823 -7.565 -0.790 1.00 0.00 C ATOM 809 CG GLU A 55 -9.070 -7.904 -2.266 1.00 0.00 C ATOM 810 CD GLU A 55 -10.354 -8.707 -2.439 1.00 0.00 C ATOM 811 OE1 GLU A 55 -10.272 -9.948 -2.311 1.00 0.00 O ATOM 812 OE2 GLU A 55 -11.395 -8.063 -2.695 1.00 0.00 O ATOM 0 H GLU A 55 -6.500 -7.913 -1.487 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.096 -5.585 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.509 -8.461 -0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.752 -7.228 -0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.132 -6.984 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.227 -8.473 -2.657 1.00 0.00 H new ATOM 819 N THR A 56 -6.728 -6.839 1.562 1.00 0.00 N ATOM 820 CA THR A 56 -6.376 -6.507 2.939 1.00 0.00 C ATOM 821 C THR A 56 -5.673 -5.148 2.985 1.00 0.00 C ATOM 822 O THR A 56 -6.051 -4.277 3.767 1.00 0.00 O ATOM 823 CB THR A 56 -5.484 -7.608 3.535 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.105 -8.868 3.387 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.204 -7.371 5.023 1.00 0.00 C ATOM 0 H THR A 56 -6.295 -7.698 1.222 1.00 0.00 H new ATOM 0 HA THR A 56 -7.285 -6.443 3.537 1.00 0.00 H new ATOM 0 HB THR A 56 -4.538 -7.584 2.994 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.016 -9.169 2.459 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.570 -8.171 5.406 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.697 -6.414 5.150 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.145 -7.359 5.573 1.00 0.00 H new ATOM 833 N LEU A 57 -4.653 -4.977 2.136 1.00 0.00 N ATOM 834 CA LEU A 57 -3.866 -3.757 2.037 1.00 0.00 C ATOM 835 C LEU A 57 -4.762 -2.568 1.673 1.00 0.00 C ATOM 836 O LEU A 57 -4.720 -1.538 2.342 1.00 0.00 O ATOM 837 CB LEU A 57 -2.746 -3.961 1.006 1.00 0.00 C ATOM 838 CG LEU A 57 -1.711 -5.018 1.434 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.874 -5.445 0.224 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.776 -4.473 2.516 1.00 0.00 C ATOM 0 H LEU A 57 -4.350 -5.703 1.487 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.411 -3.533 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.187 -4.258 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.238 -3.011 0.839 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.254 -5.873 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.143 -6.193 0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.527 -5.869 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.355 -4.578 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.057 -5.243 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.244 -3.602 2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.360 -4.185 3.390 1.00 0.00 H new ATOM 852 N ARG A 58 -5.584 -2.722 0.627 1.00 0.00 N ATOM 853 CA ARG A 58 -6.573 -1.743 0.194 1.00 0.00 C ATOM 854 C ARG A 58 -7.473 -1.332 1.363 1.00 0.00 C ATOM 855 O ARG A 58 -7.679 -0.143 1.594 1.00 0.00 O ATOM 856 CB ARG A 58 -7.394 -2.346 -0.954 1.00 0.00 C ATOM 857 CG ARG A 58 -8.432 -1.372 -1.528 1.00 0.00 C ATOM 858 CD ARG A 58 -9.309 -2.075 -2.566 1.00 0.00 C ATOM 859 NE ARG A 58 -10.089 -3.158 -1.948 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.532 -4.266 -2.565 1.00 0.00 C ATOM 861 NH1 ARG A 58 -10.335 -4.461 -3.876 1.00 0.00 N ATOM 862 NH2 ARG A 58 -11.184 -5.194 -1.852 1.00 0.00 N ATOM 0 H ARG A 58 -5.574 -3.559 0.045 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.071 -0.842 -0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.719 -2.659 -1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.903 -3.242 -0.597 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.054 -0.979 -0.724 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.927 -0.521 -1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.983 -1.353 -3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.684 -2.480 -3.362 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.315 -3.058 -0.958 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.839 -3.760 -4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.681 -5.310 -4.323 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.339 -5.054 -0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.526 -6.040 -2.308 1.00 0.00 H new ATOM 876 N GLY A 59 -7.999 -2.320 2.097 1.00 0.00 N ATOM 877 CA GLY A 59 -8.847 -2.115 3.260 1.00 0.00 C ATOM 878 C GLY A 59 -8.158 -1.257 4.320 1.00 0.00 C ATOM 879 O GLY A 59 -8.764 -0.327 4.847 1.00 0.00 O ATOM 0 H GLY A 59 -7.838 -3.305 1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.776 -1.636 2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.113 -3.080 3.690 1.00 0.00 H new ATOM 883 N ALA A 60 -6.893 -1.564 4.630 1.00 0.00 N ATOM 884 CA ALA A 60 -6.110 -0.820 5.608 1.00 0.00 C ATOM 885 C ALA A 60 -5.905 0.633 5.173 1.00 0.00 C ATOM 886 O ALA A 60 -6.056 1.543 5.985 1.00 0.00 O ATOM 887 CB ALA A 60 -4.772 -1.521 5.840 1.00 0.00 C ATOM 0 H ALA A 60 -6.387 -2.340 4.204 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.662 -0.797 6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.190 -0.961 6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.950 -2.530 6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.221 -1.573 4.901 1.00 0.00 H new ATOM 893 N ILE A 61 -5.569 0.858 3.898 1.00 0.00 N ATOM 894 CA ILE A 61 -5.389 2.197 3.346 1.00 0.00 C ATOM 895 C ILE A 61 -6.699 2.987 3.444 1.00 0.00 C ATOM 896 O ILE A 61 -6.697 4.147 3.854 1.00 0.00 O ATOM 897 CB ILE A 61 -4.867 2.100 1.901 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.466 1.462 1.858 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.790 3.494 1.265 1.00 0.00 C ATOM 900 CD1 ILE A 61 -3.154 0.839 0.494 1.00 0.00 C ATOM 0 H ILE A 61 -5.415 0.111 3.221 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.643 2.740 3.926 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.564 1.474 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.717 2.219 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.394 0.696 2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.419 3.408 0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.783 3.944 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.113 4.122 1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.156 0.402 0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.886 0.062 0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.198 1.609 -0.276 1.00 0.00 H new ATOM 912 N GLU A 62 -7.818 2.353 3.076 1.00 0.00 N ATOM 913 CA GLU A 62 -9.146 2.937 3.173 1.00 0.00 C ATOM 914 C GLU A 62 -9.469 3.310 4.624 1.00 0.00 C ATOM 915 O GLU A 62 -10.016 4.382 4.872 1.00 0.00 O ATOM 916 CB GLU A 62 -10.171 1.964 2.579 1.00 0.00 C ATOM 917 CG GLU A 62 -11.559 2.599 2.452 1.00 0.00 C ATOM 918 CD GLU A 62 -12.523 1.650 1.748 1.00 0.00 C ATOM 919 OE1 GLU A 62 -13.131 0.822 2.461 1.00 0.00 O ATOM 920 OE2 GLU A 62 -12.632 1.765 0.508 1.00 0.00 O ATOM 0 H GLU A 62 -7.819 1.406 2.698 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.186 3.862 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.832 1.635 1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.235 1.076 3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.943 2.847 3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.488 3.533 1.894 1.00 0.00 H new ATOM 927 N ASP A 63 -9.118 2.436 5.578 1.00 0.00 N ATOM 928 CA ASP A 63 -9.309 2.673 7.002 1.00 0.00 C ATOM 929 C ASP A 63 -8.500 3.886 7.476 1.00 0.00 C ATOM 930 O ASP A 63 -9.032 4.716 8.212 1.00 0.00 O ATOM 931 CB ASP A 63 -8.956 1.411 7.798 1.00 0.00 C ATOM 932 CG ASP A 63 -9.188 1.608 9.293 1.00 0.00 C ATOM 933 OD1 ASP A 63 -10.364 1.504 9.704 1.00 0.00 O ATOM 934 OD2 ASP A 63 -8.187 1.860 9.998 1.00 0.00 O ATOM 0 H ASP A 63 -8.688 1.534 5.371 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.360 2.903 7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.559 0.575 7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.913 1.149 7.622 1.00 0.00 H new ATOM 939 N MET A 64 -7.232 4.000 7.055 1.00 0.00 N ATOM 940 CA MET A 64 -6.406 5.168 7.349 1.00 0.00 C ATOM 941 C MET A 64 -7.038 6.443 6.777 1.00 0.00 C ATOM 942 O MET A 64 -6.964 7.492 7.415 1.00 0.00 O ATOM 943 CB MET A 64 -4.966 4.973 6.851 1.00 0.00 C ATOM 944 CG MET A 64 -4.212 3.945 7.704 1.00 0.00 C ATOM 945 SD MET A 64 -2.436 3.795 7.360 1.00 0.00 S ATOM 946 CE MET A 64 -2.476 2.932 5.772 1.00 0.00 C ATOM 0 H MET A 64 -6.757 3.285 6.504 1.00 0.00 H new ATOM 0 HA MET A 64 -6.358 5.283 8.432 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.980 4.645 5.812 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.438 5.926 6.877 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.340 4.207 8.754 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.676 2.969 7.560 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.492 2.515 5.560 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.210 2.127 5.814 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.751 3.633 4.984 1.00 0.00 H new ATOM 956 N GLY A 65 -7.671 6.349 5.599 1.00 0.00 N ATOM 957 CA GLY A 65 -8.503 7.407 5.040 1.00 0.00 C ATOM 958 C GLY A 65 -7.929 7.958 3.741 1.00 0.00 C ATOM 959 O GLY A 65 -7.644 9.151 3.654 1.00 0.00 O ATOM 0 H GLY A 65 -7.614 5.522 5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.506 7.021 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.598 8.215 5.766 1.00 0.00 H new ATOM 963 N PHE A 66 -7.777 7.091 2.732 1.00 0.00 N ATOM 964 CA PHE A 66 -7.372 7.474 1.385 1.00 0.00 C ATOM 965 C PHE A 66 -8.168 6.661 0.366 1.00 0.00 C ATOM 966 O PHE A 66 -8.690 5.594 0.691 1.00 0.00 O ATOM 967 CB PHE A 66 -5.865 7.262 1.204 1.00 0.00 C ATOM 968 CG PHE A 66 -5.012 7.919 2.270 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.702 9.288 2.178 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.545 7.166 3.364 1.00 0.00 C ATOM 971 CE1 PHE A 66 -3.943 9.908 3.186 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.793 7.788 4.374 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.501 9.160 4.292 1.00 0.00 C ATOM 0 H PHE A 66 -7.936 6.089 2.836 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.581 8.532 1.228 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.658 6.192 1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.570 7.649 0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.047 9.864 1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.765 6.110 3.427 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.700 10.958 3.111 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.439 7.211 5.215 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.937 9.640 5.078 1.00 0.00 H new ATOM 983 N ASP A 67 -8.258 7.166 -0.869 1.00 0.00 N ATOM 984 CA ASP A 67 -8.988 6.519 -1.950 1.00 0.00 C ATOM 985 C ASP A 67 -8.164 5.339 -2.467 1.00 0.00 C ATOM 986 O ASP A 67 -7.293 5.519 -3.317 1.00 0.00 O ATOM 987 CB ASP A 67 -9.275 7.535 -3.060 1.00 0.00 C ATOM 988 CG ASP A 67 -10.108 8.711 -2.558 1.00 0.00 C ATOM 989 OD1 ASP A 67 -11.331 8.513 -2.394 1.00 0.00 O ATOM 990 OD2 ASP A 67 -9.506 9.787 -2.346 1.00 0.00 O ATOM 0 H ASP A 67 -7.819 8.045 -1.143 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.945 6.142 -1.590 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.333 7.905 -3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.801 7.041 -3.877 1.00 0.00 H new ATOM 995 N ALA A 68 -8.446 4.144 -1.934 1.00 0.00 N ATOM 996 CA ALA A 68 -7.687 2.926 -2.170 1.00 0.00 C ATOM 997 C ALA A 68 -8.387 2.067 -3.223 1.00 0.00 C ATOM 998 O ALA A 68 -9.468 1.541 -2.961 1.00 0.00 O ATOM 999 CB ALA A 68 -7.562 2.163 -0.850 1.00 0.00 C ATOM 0 H ALA A 68 -9.237 4.002 -1.306 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.693 3.173 -2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.995 1.246 -1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.046 2.784 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.556 1.914 -0.478 1.00 0.00 H new ATOM 1005 N THR A 69 -7.777 1.922 -4.407 1.00 0.00 N ATOM 1006 CA THR A 69 -8.310 1.107 -5.496 1.00 0.00 C ATOM 1007 C THR A 69 -7.164 0.398 -6.220 1.00 0.00 C ATOM 1008 O THR A 69 -6.162 1.029 -6.551 1.00 0.00 O ATOM 1009 CB THR A 69 -9.111 1.976 -6.481 1.00 0.00 C ATOM 1010 OG1 THR A 69 -8.310 3.027 -6.977 1.00 0.00 O ATOM 1011 CG2 THR A 69 -10.373 2.570 -5.849 1.00 0.00 C ATOM 0 H THR A 69 -6.891 2.374 -4.633 1.00 0.00 H new ATOM 0 HA THR A 69 -8.983 0.359 -5.078 1.00 0.00 H new ATOM 0 HB THR A 69 -9.417 1.318 -7.294 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.833 3.570 -7.603 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.900 3.174 -6.588 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.023 1.764 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.095 3.195 -5.000 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.313 -0.907 -6.473 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.305 -1.715 -7.150 1.00 0.00 C ATOM 1021 C LEU A 70 -6.111 -1.246 -8.596 1.00 0.00 C ATOM 1022 O LEU A 70 -7.047 -0.746 -9.219 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.717 -3.196 -7.142 1.00 0.00 C ATOM 1024 CG LEU A 70 -7.051 -3.775 -5.757 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -7.360 -5.270 -5.896 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -5.909 -3.580 -4.756 1.00 0.00 C ATOM 0 H LEU A 70 -8.146 -1.433 -6.209 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.363 -1.598 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.586 -3.318 -7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.910 -3.784 -7.579 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.918 -3.238 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.597 -5.685 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.211 -5.405 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.491 -5.784 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.192 -4.005 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.013 -4.080 -5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.707 -2.515 -4.637 1.00 0.00 H new