USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 508 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 SER OG : rot -80:sc= 0.683 USER MOD Set 1.2: A 64 MET CE :methyl 150:sc= 0 (180deg=-0.197) USER MOD Set 2.1: A 53 SER OG : rot 180:sc= 1.04 USER MOD Set 2.2: A 56 THR OG1 : rot 74:sc= 0.904 USER MOD Set 3.1: A 37 SER OG : rot 100:sc= 0.961 USER MOD Set 3.2: A 40 ASN : amide:sc= 0.688 X(o=1.6,f=1.4) USER MOD Set 4.1: A 14 CYS SG : rot 180:sc= 1.23 USER MOD Set 4.2: A 16 SER OG : rot -69:sc= 1.4 USER MOD Single : A 2 THR OG1 : rot -23:sc= 0.216 USER MOD Single : A 3 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 5 THR OG1 : rot -150:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 12 MET CE :methyl 179:sc= 0 (180deg=-0.00313) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot -92:sc= 0.475 USER MOD Single : A 19 GLN : amide:sc= -0.0266 X(o=-0.027,f=-0.027) USER MOD Single : A 26 SER OG : rot -41:sc= 0.454 USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0333) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0603) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -15:sc= 0.765 USER MOD Single : A 42 ASN : amide:sc= -0.161 K(o=-0.16,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= 0.0107 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N THR A 2 6.185 -14.881 -3.415 1.00 0.00 N ATOM 23 CA THR A 2 5.620 -13.566 -3.149 1.00 0.00 C ATOM 24 C THR A 2 5.062 -12.958 -4.436 1.00 0.00 C ATOM 25 O THR A 2 5.409 -13.379 -5.539 1.00 0.00 O ATOM 26 CB THR A 2 6.698 -12.656 -2.543 1.00 0.00 C ATOM 27 OG1 THR A 2 7.856 -12.667 -3.353 1.00 0.00 O ATOM 28 CG2 THR A 2 7.063 -13.108 -1.128 1.00 0.00 C ATOM 0 HA THR A 2 4.800 -13.664 -2.437 1.00 0.00 H new ATOM 0 HB THR A 2 6.296 -11.644 -2.495 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.876 -13.490 -3.884 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.828 -12.447 -0.721 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.177 -13.071 -0.494 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.444 -14.129 -1.159 1.00 0.00 H new ATOM 36 N GLN A 3 4.191 -11.958 -4.270 1.00 0.00 N ATOM 37 CA GLN A 3 3.577 -11.179 -5.334 1.00 0.00 C ATOM 38 C GLN A 3 3.782 -9.694 -5.027 1.00 0.00 C ATOM 39 O GLN A 3 4.271 -9.343 -3.954 1.00 0.00 O ATOM 40 CB GLN A 3 2.081 -11.521 -5.410 1.00 0.00 C ATOM 41 CG GLN A 3 1.818 -12.969 -5.847 1.00 0.00 C ATOM 42 CD GLN A 3 2.335 -13.268 -7.253 1.00 0.00 C ATOM 43 OE1 GLN A 3 3.159 -14.160 -7.438 1.00 0.00 O ATOM 44 NE2 GLN A 3 1.849 -12.528 -8.252 1.00 0.00 N ATOM 0 H GLN A 3 3.885 -11.661 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 3 4.033 -11.411 -6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.626 -11.354 -4.434 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.594 -10.842 -6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.292 -13.649 -5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.747 -13.166 -5.810 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.166 -11.796 -8.059 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.161 -12.695 -9.209 1.00 0.00 H new ATOM 53 N GLU A 4 3.406 -8.822 -5.970 1.00 0.00 N ATOM 54 CA GLU A 4 3.475 -7.376 -5.813 1.00 0.00 C ATOM 55 C GLU A 4 2.204 -6.753 -6.384 1.00 0.00 C ATOM 56 O GLU A 4 1.700 -7.211 -7.408 1.00 0.00 O ATOM 57 CB GLU A 4 4.745 -6.836 -6.487 1.00 0.00 C ATOM 58 CG GLU A 4 4.924 -5.330 -6.252 1.00 0.00 C ATOM 59 CD GLU A 4 6.260 -4.833 -6.792 1.00 0.00 C ATOM 60 OE1 GLU A 4 7.242 -4.892 -6.021 1.00 0.00 O ATOM 61 OE2 GLU A 4 6.276 -4.403 -7.966 1.00 0.00 O ATOM 0 H GLU A 4 3.040 -9.113 -6.877 1.00 0.00 H new ATOM 0 HA GLU A 4 3.536 -7.109 -4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.614 -7.369 -6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.699 -7.033 -7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.111 -4.787 -6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.860 -5.118 -5.185 1.00 0.00 H new ATOM 68 N THR A 5 1.690 -5.718 -5.706 1.00 0.00 N ATOM 69 CA THR A 5 0.471 -5.015 -6.079 1.00 0.00 C ATOM 70 C THR A 5 0.726 -3.508 -6.081 1.00 0.00 C ATOM 71 O THR A 5 1.348 -2.981 -5.159 1.00 0.00 O ATOM 72 CB THR A 5 -0.683 -5.413 -5.142 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.876 -4.767 -5.538 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.418 -5.106 -3.663 1.00 0.00 C ATOM 0 H THR A 5 2.126 -5.343 -4.864 1.00 0.00 H new ATOM 0 HA THR A 5 0.174 -5.301 -7.088 1.00 0.00 H new ATOM 0 HB THR A 5 -0.776 -6.495 -5.231 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.443 -4.617 -4.753 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.277 -5.415 -3.068 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.467 -5.649 -3.332 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.256 -4.036 -3.537 1.00 0.00 H new ATOM 82 N VAL A 6 0.230 -2.831 -7.123 1.00 0.00 N ATOM 83 CA VAL A 6 0.218 -1.382 -7.239 1.00 0.00 C ATOM 84 C VAL A 6 -1.195 -0.927 -6.886 1.00 0.00 C ATOM 85 O VAL A 6 -2.128 -1.126 -7.662 1.00 0.00 O ATOM 86 CB VAL A 6 0.631 -0.948 -8.656 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.602 0.583 -8.781 1.00 0.00 C ATOM 88 CG2 VAL A 6 2.045 -1.442 -8.989 1.00 0.00 C ATOM 0 H VAL A 6 -0.185 -3.298 -7.929 1.00 0.00 H new ATOM 0 HA VAL A 6 0.938 -0.920 -6.563 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.081 -1.388 -9.355 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.897 0.871 -9.790 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.406 0.945 -8.580 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.295 1.020 -8.062 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.314 -1.123 -9.996 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.754 -1.025 -8.274 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.073 -2.530 -8.934 1.00 0.00 H new ATOM 98 N ILE A 7 -1.348 -0.324 -5.704 1.00 0.00 N ATOM 99 CA ILE A 7 -2.610 0.213 -5.229 1.00 0.00 C ATOM 100 C ILE A 7 -2.570 1.716 -5.480 1.00 0.00 C ATOM 101 O ILE A 7 -1.678 2.393 -4.980 1.00 0.00 O ATOM 102 CB ILE A 7 -2.809 -0.127 -3.739 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.668 -1.648 -3.534 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.186 0.372 -3.271 1.00 0.00 C ATOM 105 CD1 ILE A 7 -2.919 -2.102 -2.095 1.00 0.00 C ATOM 0 H ILE A 7 -0.580 -0.197 -5.045 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.459 -0.225 -5.755 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.047 0.372 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.367 -2.161 -4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.665 -1.954 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.322 0.129 -2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.247 1.452 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.967 -0.111 -3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.802 -3.184 -2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.203 -1.618 -1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.931 -1.828 -1.798 1.00 0.00 H new ATOM 117 N ASN A 8 -3.525 2.237 -6.253 1.00 0.00 N ATOM 118 CA ASN A 8 -3.697 3.665 -6.465 1.00 0.00 C ATOM 119 C ASN A 8 -4.340 4.252 -5.209 1.00 0.00 C ATOM 120 O ASN A 8 -5.381 3.767 -4.767 1.00 0.00 O ATOM 121 CB ASN A 8 -4.576 3.916 -7.697 1.00 0.00 C ATOM 122 CG ASN A 8 -3.989 3.338 -8.985 1.00 0.00 C ATOM 123 OD1 ASN A 8 -2.806 3.009 -9.058 1.00 0.00 O ATOM 124 ND2 ASN A 8 -4.825 3.212 -10.017 1.00 0.00 N ATOM 0 H ASN A 8 -4.207 1.667 -6.753 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.734 4.143 -6.646 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.561 3.481 -7.527 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.719 4.990 -7.820 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.489 2.833 -10.902 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.800 3.495 -9.921 1.00 0.00 H new ATOM 131 N ILE A 9 -3.702 5.278 -4.634 1.00 0.00 N ATOM 132 CA ILE A 9 -4.090 5.902 -3.379 1.00 0.00 C ATOM 133 C ILE A 9 -4.303 7.386 -3.663 1.00 0.00 C ATOM 134 O ILE A 9 -3.339 8.148 -3.714 1.00 0.00 O ATOM 135 CB ILE A 9 -3.004 5.681 -2.306 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.669 4.190 -2.136 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.482 6.279 -0.974 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.532 3.947 -1.138 1.00 0.00 C ATOM 0 H ILE A 9 -2.874 5.706 -5.049 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.007 5.460 -2.989 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.091 6.182 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.560 3.658 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.392 3.772 -3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.718 6.126 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.662 7.347 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.406 5.789 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.340 2.877 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.631 4.453 -1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.816 4.338 -0.161 1.00 0.00 H new ATOM 150 N ASP A 10 -5.561 7.796 -3.848 1.00 0.00 N ATOM 151 CA ASP A 10 -5.903 9.181 -4.145 1.00 0.00 C ATOM 152 C ASP A 10 -6.376 9.879 -2.869 1.00 0.00 C ATOM 153 O ASP A 10 -6.880 9.238 -1.945 1.00 0.00 O ATOM 154 CB ASP A 10 -6.940 9.236 -5.273 1.00 0.00 C ATOM 155 CG ASP A 10 -6.410 8.569 -6.540 1.00 0.00 C ATOM 156 OD1 ASP A 10 -5.672 9.257 -7.279 1.00 0.00 O ATOM 157 OD2 ASP A 10 -6.747 7.382 -6.746 1.00 0.00 O ATOM 0 H ASP A 10 -6.367 7.174 -3.795 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.023 9.718 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.856 8.740 -4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.197 10.274 -5.485 1.00 0.00 H new ATOM 162 N GLY A 11 -6.183 11.202 -2.822 1.00 0.00 N ATOM 163 CA GLY A 11 -6.434 12.032 -1.652 1.00 0.00 C ATOM 164 C GLY A 11 -5.184 12.204 -0.781 1.00 0.00 C ATOM 165 O GLY A 11 -5.301 12.614 0.373 1.00 0.00 O ATOM 0 H GLY A 11 -5.838 11.733 -3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.788 13.012 -1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.230 11.585 -1.057 1.00 0.00 H new ATOM 169 N MET A 12 -3.993 11.908 -1.321 1.00 0.00 N ATOM 170 CA MET A 12 -2.724 12.118 -0.637 1.00 0.00 C ATOM 171 C MET A 12 -2.358 13.596 -0.761 1.00 0.00 C ATOM 172 O MET A 12 -2.041 14.063 -1.853 1.00 0.00 O ATOM 173 CB MET A 12 -1.636 11.228 -1.251 1.00 0.00 C ATOM 174 CG MET A 12 -1.920 9.741 -1.014 1.00 0.00 C ATOM 175 SD MET A 12 -0.767 8.607 -1.834 1.00 0.00 S ATOM 176 CE MET A 12 0.722 8.848 -0.841 1.00 0.00 C ATOM 0 H MET A 12 -3.891 11.512 -2.255 1.00 0.00 H new ATOM 0 HA MET A 12 -2.810 11.849 0.416 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.570 11.420 -2.322 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.668 11.487 -0.821 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.897 9.548 0.058 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.931 9.519 -1.356 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.517 8.202 -1.214 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.039 9.889 -0.908 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.510 8.599 0.199 1.00 0.00 H new ATOM 186 N THR A 13 -2.419 14.331 0.355 1.00 0.00 N ATOM 187 CA THR A 13 -2.240 15.778 0.371 1.00 0.00 C ATOM 188 C THR A 13 -0.759 16.167 0.435 1.00 0.00 C ATOM 189 O THR A 13 -0.359 17.140 -0.201 1.00 0.00 O ATOM 190 CB THR A 13 -3.076 16.403 1.503 1.00 0.00 C ATOM 191 OG1 THR A 13 -3.037 17.810 1.397 1.00 0.00 O ATOM 192 CG2 THR A 13 -2.626 16.000 2.912 1.00 0.00 C ATOM 0 H THR A 13 -2.595 13.931 1.276 1.00 0.00 H new ATOM 0 HA THR A 13 -2.609 16.187 -0.570 1.00 0.00 H new ATOM 0 HB THR A 13 -4.088 16.019 1.376 1.00 0.00 H new ATOM 0 HG1 THR A 13 -3.570 18.207 2.117 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.266 16.483 3.650 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.698 14.918 3.021 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.593 16.312 3.067 1.00 0.00 H new ATOM 200 N CYS A 14 0.055 15.419 1.193 1.00 0.00 N ATOM 201 CA CYS A 14 1.470 15.726 1.388 1.00 0.00 C ATOM 202 C CYS A 14 2.223 14.462 1.825 1.00 0.00 C ATOM 203 O CYS A 14 1.628 13.395 1.966 1.00 0.00 O ATOM 204 CB CYS A 14 1.622 16.860 2.417 1.00 0.00 C ATOM 205 SG CYS A 14 1.273 16.284 4.088 1.00 0.00 S ATOM 0 H CYS A 14 -0.255 14.583 1.688 1.00 0.00 H new ATOM 0 HA CYS A 14 1.905 16.066 0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.635 17.260 2.373 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.946 17.676 2.163 1.00 0.00 H new ATOM 0 HG CYS A 14 1.414 17.269 4.925 1.00 0.00 H new ATOM 210 N ASN A 15 3.539 14.586 2.038 1.00 0.00 N ATOM 211 CA ASN A 15 4.434 13.465 2.314 1.00 0.00 C ATOM 212 C ASN A 15 4.212 12.807 3.682 1.00 0.00 C ATOM 213 O ASN A 15 4.715 11.708 3.907 1.00 0.00 O ATOM 214 CB ASN A 15 5.889 13.919 2.153 1.00 0.00 C ATOM 215 CG ASN A 15 6.169 14.392 0.728 1.00 0.00 C ATOM 216 OD1 ASN A 15 6.253 15.592 0.475 1.00 0.00 O ATOM 217 ND2 ASN A 15 6.307 13.451 -0.208 1.00 0.00 N ATOM 0 H ASN A 15 4.017 15.487 2.022 1.00 0.00 H new ATOM 0 HA ASN A 15 4.200 12.690 1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.100 14.726 2.854 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.559 13.096 2.403 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.489 13.717 -1.176 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.230 12.466 0.044 1.00 0.00 H new ATOM 224 N SER A 16 3.457 13.437 4.593 1.00 0.00 N ATOM 225 CA SER A 16 3.046 12.788 5.834 1.00 0.00 C ATOM 226 C SER A 16 2.223 11.533 5.525 1.00 0.00 C ATOM 227 O SER A 16 2.350 10.526 6.219 1.00 0.00 O ATOM 228 CB SER A 16 2.264 13.758 6.727 1.00 0.00 C ATOM 229 OG SER A 16 0.999 14.048 6.172 1.00 0.00 O ATOM 0 H SER A 16 3.122 14.395 4.489 1.00 0.00 H new ATOM 0 HA SER A 16 3.939 12.487 6.381 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.139 13.324 7.719 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.831 14.681 6.852 1.00 0.00 H new ATOM 0 HG SER A 16 1.113 14.591 5.364 1.00 0.00 H new ATOM 235 N CYS A 17 1.397 11.594 4.469 1.00 0.00 N ATOM 236 CA CYS A 17 0.635 10.457 3.984 1.00 0.00 C ATOM 237 C CYS A 17 1.589 9.332 3.588 1.00 0.00 C ATOM 238 O CYS A 17 1.424 8.208 4.049 1.00 0.00 O ATOM 239 CB CYS A 17 -0.247 10.858 2.798 1.00 0.00 C ATOM 240 SG CYS A 17 -1.409 12.212 3.102 1.00 0.00 S ATOM 0 H CYS A 17 1.245 12.447 3.930 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.019 10.105 4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.400 11.139 1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.813 9.983 2.479 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.549 11.726 3.495 1.00 0.00 H new ATOM 245 N VAL A 18 2.592 9.637 2.753 1.00 0.00 N ATOM 246 CA VAL A 18 3.590 8.673 2.301 1.00 0.00 C ATOM 247 C VAL A 18 4.218 7.960 3.500 1.00 0.00 C ATOM 248 O VAL A 18 4.195 6.732 3.567 1.00 0.00 O ATOM 249 CB VAL A 18 4.656 9.365 1.427 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.769 8.393 1.016 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.033 9.953 0.157 1.00 0.00 C ATOM 0 H VAL A 18 2.730 10.573 2.371 1.00 0.00 H new ATOM 0 HA VAL A 18 3.101 7.920 1.684 1.00 0.00 H new ATOM 0 HB VAL A 18 5.082 10.164 2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.501 8.917 0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.258 8.001 1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.340 7.569 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.808 10.434 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.571 9.155 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.276 10.688 0.430 1.00 0.00 H new ATOM 261 N GLN A 19 4.766 8.742 4.439 1.00 0.00 N ATOM 262 CA GLN A 19 5.449 8.250 5.627 1.00 0.00 C ATOM 263 C GLN A 19 4.541 7.349 6.468 1.00 0.00 C ATOM 264 O GLN A 19 4.925 6.232 6.806 1.00 0.00 O ATOM 265 CB GLN A 19 5.971 9.450 6.431 1.00 0.00 C ATOM 266 CG GLN A 19 6.619 9.066 7.770 1.00 0.00 C ATOM 267 CD GLN A 19 7.697 7.991 7.639 1.00 0.00 C ATOM 268 OE1 GLN A 19 7.642 6.973 8.323 1.00 0.00 O ATOM 269 NE2 GLN A 19 8.681 8.212 6.766 1.00 0.00 N ATOM 0 H GLN A 19 4.742 9.760 4.385 1.00 0.00 H new ATOM 0 HA GLN A 19 6.293 7.630 5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.700 9.990 5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.145 10.135 6.621 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.058 9.956 8.221 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.845 8.712 8.451 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.691 9.071 6.216 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.423 7.522 6.649 1.00 0.00 H new ATOM 278 N SER A 20 3.342 7.832 6.812 1.00 0.00 N ATOM 279 CA SER A 20 2.406 7.092 7.645 1.00 0.00 C ATOM 280 C SER A 20 1.999 5.774 6.981 1.00 0.00 C ATOM 281 O SER A 20 2.046 4.727 7.622 1.00 0.00 O ATOM 282 CB SER A 20 1.192 7.964 7.986 1.00 0.00 C ATOM 283 OG SER A 20 0.517 8.387 6.821 1.00 0.00 O ATOM 0 H SER A 20 3.000 8.747 6.518 1.00 0.00 H new ATOM 0 HA SER A 20 2.901 6.834 8.581 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.507 7.403 8.622 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.516 8.834 8.556 1.00 0.00 H new ATOM 0 HG SER A 20 0.990 9.149 6.427 1.00 0.00 H new ATOM 289 N ILE A 21 1.608 5.825 5.702 1.00 0.00 N ATOM 290 CA ILE A 21 1.153 4.667 4.945 1.00 0.00 C ATOM 291 C ILE A 21 2.251 3.601 4.897 1.00 0.00 C ATOM 292 O ILE A 21 1.995 2.464 5.287 1.00 0.00 O ATOM 293 CB ILE A 21 0.662 5.097 3.549 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.630 5.929 3.680 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.383 3.878 2.658 1.00 0.00 C ATOM 296 CD1 ILE A 21 -0.973 6.668 2.383 1.00 0.00 C ATOM 0 H ILE A 21 1.601 6.690 5.161 1.00 0.00 H new ATOM 0 HA ILE A 21 0.299 4.213 5.447 1.00 0.00 H new ATOM 0 HB ILE A 21 1.448 5.695 3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.457 5.273 3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.515 6.651 4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.038 4.214 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.297 3.296 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.385 3.258 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.890 7.241 2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.159 7.344 2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.115 5.946 1.579 1.00 0.00 H new ATOM 308 N GLU A 22 3.462 3.946 4.435 1.00 0.00 N ATOM 309 CA GLU A 22 4.543 2.969 4.347 1.00 0.00 C ATOM 310 C GLU A 22 4.912 2.425 5.731 1.00 0.00 C ATOM 311 O GLU A 22 5.190 1.236 5.866 1.00 0.00 O ATOM 312 CB GLU A 22 5.738 3.505 3.539 1.00 0.00 C ATOM 313 CG GLU A 22 6.612 4.559 4.236 1.00 0.00 C ATOM 314 CD GLU A 22 7.552 3.990 5.299 1.00 0.00 C ATOM 315 OE1 GLU A 22 8.108 2.896 5.056 1.00 0.00 O ATOM 316 OE2 GLU A 22 7.703 4.665 6.339 1.00 0.00 O ATOM 0 H GLU A 22 3.710 4.884 4.121 1.00 0.00 H new ATOM 0 HA GLU A 22 4.184 2.111 3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.372 2.662 3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.359 3.934 2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.205 5.078 3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.964 5.303 4.700 1.00 0.00 H new ATOM 323 N GLY A 23 4.889 3.287 6.757 1.00 0.00 N ATOM 324 CA GLY A 23 5.154 2.911 8.136 1.00 0.00 C ATOM 325 C GLY A 23 4.198 1.816 8.606 1.00 0.00 C ATOM 326 O GLY A 23 4.640 0.773 9.080 1.00 0.00 O ATOM 0 H GLY A 23 4.682 4.279 6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.183 2.563 8.229 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.054 3.785 8.779 1.00 0.00 H new ATOM 330 N VAL A 24 2.888 2.050 8.467 1.00 0.00 N ATOM 331 CA VAL A 24 1.853 1.101 8.855 1.00 0.00 C ATOM 332 C VAL A 24 1.991 -0.197 8.055 1.00 0.00 C ATOM 333 O VAL A 24 2.067 -1.276 8.641 1.00 0.00 O ATOM 334 CB VAL A 24 0.465 1.751 8.684 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.673 0.729 8.816 1.00 0.00 C ATOM 336 CG2 VAL A 24 0.258 2.839 9.747 1.00 0.00 C ATOM 0 H VAL A 24 2.518 2.917 8.076 1.00 0.00 H new ATOM 0 HA VAL A 24 1.969 0.838 9.906 1.00 0.00 H new ATOM 0 HB VAL A 24 0.438 2.178 7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.631 1.233 8.688 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.562 -0.040 8.051 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.635 0.267 9.803 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.725 3.292 9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.325 2.395 10.740 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.027 3.604 9.639 1.00 0.00 H new ATOM 346 N ILE A 25 2.016 -0.097 6.721 1.00 0.00 N ATOM 347 CA ILE A 25 1.988 -1.257 5.840 1.00 0.00 C ATOM 348 C ILE A 25 3.223 -2.143 6.027 1.00 0.00 C ATOM 349 O ILE A 25 3.091 -3.365 6.017 1.00 0.00 O ATOM 350 CB ILE A 25 1.768 -0.830 4.379 1.00 0.00 C ATOM 351 CG1 ILE A 25 0.363 -0.219 4.230 1.00 0.00 C ATOM 352 CG2 ILE A 25 1.901 -2.046 3.453 1.00 0.00 C ATOM 353 CD1 ILE A 25 0.104 0.316 2.821 1.00 0.00 C ATOM 0 H ILE A 25 2.056 0.794 6.227 1.00 0.00 H new ATOM 0 HA ILE A 25 1.135 -1.876 6.119 1.00 0.00 H new ATOM 0 HB ILE A 25 2.519 -0.089 4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.385 -0.974 4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.244 0.590 4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.744 -1.736 2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.898 -2.474 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.156 -2.793 3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.901 0.736 2.770 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.834 1.091 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.194 -0.497 2.101 1.00 0.00 H new ATOM 365 N SER A 26 4.413 -1.555 6.207 1.00 0.00 N ATOM 366 CA SER A 26 5.649 -2.311 6.399 1.00 0.00 C ATOM 367 C SER A 26 5.576 -3.295 7.576 1.00 0.00 C ATOM 368 O SER A 26 6.303 -4.287 7.580 1.00 0.00 O ATOM 369 CB SER A 26 6.840 -1.358 6.552 1.00 0.00 C ATOM 370 OG SER A 26 6.696 -0.540 7.694 1.00 0.00 O ATOM 0 H SER A 26 4.542 -0.543 6.223 1.00 0.00 H new ATOM 0 HA SER A 26 5.791 -2.918 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.762 -1.934 6.628 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.926 -0.734 5.663 1.00 0.00 H new ATOM 0 HG SER A 26 5.764 -0.247 7.771 1.00 0.00 H new ATOM 376 N LYS A 27 4.704 -3.035 8.560 1.00 0.00 N ATOM 377 CA LYS A 27 4.551 -3.857 9.754 1.00 0.00 C ATOM 378 C LYS A 27 3.516 -4.974 9.560 1.00 0.00 C ATOM 379 O LYS A 27 3.409 -5.848 10.419 1.00 0.00 O ATOM 380 CB LYS A 27 4.158 -2.958 10.935 1.00 0.00 C ATOM 381 CG LYS A 27 5.236 -1.907 11.229 1.00 0.00 C ATOM 382 CD LYS A 27 4.752 -0.936 12.311 1.00 0.00 C ATOM 383 CE LYS A 27 5.743 0.213 12.523 1.00 0.00 C ATOM 384 NZ LYS A 27 7.045 -0.265 13.018 1.00 0.00 N ATOM 0 H LYS A 27 4.077 -2.231 8.542 1.00 0.00 H new ATOM 0 HA LYS A 27 5.504 -4.344 9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.214 -2.460 10.715 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.996 -3.571 11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.153 -2.398 11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.476 -1.358 10.319 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.780 -0.531 12.029 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.613 -1.475 13.248 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.886 0.746 11.583 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.325 0.926 13.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.657 0.549 13.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.903 -0.824 13.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.496 -0.858 12.292 1.00 0.00 H new ATOM 398 N LYS A 28 2.755 -4.968 8.455 1.00 0.00 N ATOM 399 CA LYS A 28 1.754 -5.992 8.177 1.00 0.00 C ATOM 400 C LYS A 28 2.450 -7.319 7.845 1.00 0.00 C ATOM 401 O LYS A 28 3.481 -7.314 7.171 1.00 0.00 O ATOM 402 CB LYS A 28 0.858 -5.562 7.007 1.00 0.00 C ATOM 403 CG LYS A 28 0.079 -4.266 7.272 1.00 0.00 C ATOM 404 CD LYS A 28 -1.080 -4.462 8.254 1.00 0.00 C ATOM 405 CE LYS A 28 -1.853 -3.148 8.400 1.00 0.00 C ATOM 406 NZ LYS A 28 -2.996 -3.296 9.315 1.00 0.00 N ATOM 0 H LYS A 28 2.821 -4.250 7.733 1.00 0.00 H new ATOM 0 HA LYS A 28 1.130 -6.124 9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.475 -5.430 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.151 -6.362 6.789 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.760 -3.512 7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.310 -3.882 6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.744 -5.249 7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.699 -4.782 9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.185 -2.371 8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.208 -2.822 7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.499 -2.389 9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.644 -4.021 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.654 -3.583 10.254 1.00 0.00 H new ATOM 420 N PRO A 29 1.909 -8.461 8.301 1.00 0.00 N ATOM 421 CA PRO A 29 2.518 -9.763 8.086 1.00 0.00 C ATOM 422 C PRO A 29 2.493 -10.108 6.597 1.00 0.00 C ATOM 423 O PRO A 29 1.466 -9.954 5.939 1.00 0.00 O ATOM 424 CB PRO A 29 1.695 -10.746 8.923 1.00 0.00 C ATOM 425 CG PRO A 29 0.318 -10.087 8.985 1.00 0.00 C ATOM 426 CD PRO A 29 0.658 -8.597 9.031 1.00 0.00 C ATOM 0 HA PRO A 29 3.565 -9.793 8.387 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.649 -11.731 8.458 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.121 -10.883 9.917 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.290 -10.337 8.115 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.242 -10.402 9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.131 -8.000 8.573 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.764 -8.250 10.059 1.00 0.00 H new ATOM 434 N GLY A 30 3.635 -10.562 6.073 1.00 0.00 N ATOM 435 CA GLY A 30 3.794 -10.916 4.673 1.00 0.00 C ATOM 436 C GLY A 30 4.460 -9.814 3.856 1.00 0.00 C ATOM 437 O GLY A 30 5.085 -10.125 2.844 1.00 0.00 O ATOM 0 H GLY A 30 4.484 -10.693 6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.388 -11.827 4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.816 -11.138 4.246 1.00 0.00 H new ATOM 441 N VAL A 31 4.330 -8.545 4.270 1.00 0.00 N ATOM 442 CA VAL A 31 4.896 -7.419 3.539 1.00 0.00 C ATOM 443 C VAL A 31 6.424 -7.459 3.610 1.00 0.00 C ATOM 444 O VAL A 31 6.988 -7.752 4.664 1.00 0.00 O ATOM 445 CB VAL A 31 4.333 -6.089 4.067 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.973 -4.898 3.342 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.813 -6.048 3.854 1.00 0.00 C ATOM 0 H VAL A 31 3.830 -8.279 5.118 1.00 0.00 H new ATOM 0 HA VAL A 31 4.609 -7.497 2.490 1.00 0.00 H new ATOM 0 HB VAL A 31 4.563 -6.020 5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.559 -3.969 3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.051 -4.911 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.765 -4.967 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.418 -5.104 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.592 -6.136 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.348 -6.875 4.391 1.00 0.00 H new ATOM 457 N LYS A 32 7.078 -7.162 2.479 1.00 0.00 N ATOM 458 CA LYS A 32 8.526 -7.085 2.359 1.00 0.00 C ATOM 459 C LYS A 32 8.912 -5.672 1.915 1.00 0.00 C ATOM 460 O LYS A 32 8.906 -4.759 2.740 1.00 0.00 O ATOM 461 CB LYS A 32 9.029 -8.189 1.418 1.00 0.00 C ATOM 462 CG LYS A 32 8.788 -9.573 2.033 1.00 0.00 C ATOM 463 CD LYS A 32 9.488 -10.658 1.210 1.00 0.00 C ATOM 464 CE LYS A 32 9.217 -12.037 1.821 1.00 0.00 C ATOM 465 NZ LYS A 32 9.937 -13.097 1.096 1.00 0.00 N ATOM 0 H LYS A 32 6.594 -6.965 1.603 1.00 0.00 H new ATOM 0 HA LYS A 32 9.012 -7.262 3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.517 -8.117 0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.093 -8.052 1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.158 -9.591 3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.718 -9.776 2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.132 -10.631 0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.561 -10.469 1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.521 -12.039 2.868 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.147 -12.242 1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.605 -14.027 1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.758 -13.003 0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.957 -13.011 1.278 1.00 0.00 H new ATOM 479 N SER A 33 9.247 -5.477 0.632 1.00 0.00 N ATOM 480 CA SER A 33 9.629 -4.172 0.109 1.00 0.00 C ATOM 481 C SER A 33 8.378 -3.337 -0.168 1.00 0.00 C ATOM 482 O SER A 33 7.317 -3.885 -0.467 1.00 0.00 O ATOM 483 CB SER A 33 10.493 -4.341 -1.146 1.00 0.00 C ATOM 484 OG SER A 33 9.810 -5.074 -2.139 1.00 0.00 O ATOM 0 H SER A 33 9.259 -6.222 -0.065 1.00 0.00 H new ATOM 0 HA SER A 33 10.226 -3.640 0.850 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.767 -3.361 -1.537 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.421 -4.851 -0.886 1.00 0.00 H new ATOM 0 HG SER A 33 10.382 -5.166 -2.929 1.00 0.00 H new ATOM 490 N ILE A 34 8.507 -2.010 -0.063 1.00 0.00 N ATOM 491 CA ILE A 34 7.402 -1.083 -0.246 1.00 0.00 C ATOM 492 C ILE A 34 7.915 0.252 -0.791 1.00 0.00 C ATOM 493 O ILE A 34 8.968 0.730 -0.374 1.00 0.00 O ATOM 494 CB ILE A 34 6.604 -0.934 1.064 1.00 0.00 C ATOM 495 CG1 ILE A 34 5.464 0.074 0.859 1.00 0.00 C ATOM 496 CG2 ILE A 34 7.481 -0.510 2.253 1.00 0.00 C ATOM 497 CD1 ILE A 34 4.346 -0.105 1.884 1.00 0.00 C ATOM 0 H ILE A 34 9.392 -1.552 0.154 1.00 0.00 H new ATOM 0 HA ILE A 34 6.710 -1.480 -0.989 1.00 0.00 H new ATOM 0 HB ILE A 34 6.198 -1.915 1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.860 1.087 0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.056 -0.040 -0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.864 -0.421 3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.255 -1.259 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.947 0.451 2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.562 0.630 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.930 -1.109 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.747 0.036 2.888 1.00 0.00 H new ATOM 509 N ARG A 35 7.162 0.834 -1.734 1.00 0.00 N ATOM 510 CA ARG A 35 7.459 2.106 -2.378 1.00 0.00 C ATOM 511 C ARG A 35 6.156 2.897 -2.521 1.00 0.00 C ATOM 512 O ARG A 35 5.399 2.675 -3.465 1.00 0.00 O ATOM 513 CB ARG A 35 8.112 1.862 -3.748 1.00 0.00 C ATOM 514 CG ARG A 35 9.466 1.153 -3.628 1.00 0.00 C ATOM 515 CD ARG A 35 10.118 1.011 -5.005 1.00 0.00 C ATOM 516 NE ARG A 35 11.400 0.304 -4.908 1.00 0.00 N ATOM 517 CZ ARG A 35 12.189 0.002 -5.952 1.00 0.00 C ATOM 518 NH1 ARG A 35 11.837 0.347 -7.200 1.00 0.00 N ATOM 519 NH2 ARG A 35 13.340 -0.650 -5.746 1.00 0.00 N ATOM 0 H ARG A 35 6.300 0.411 -2.077 1.00 0.00 H new ATOM 0 HA ARG A 35 8.161 2.680 -1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.443 1.262 -4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.247 2.815 -4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.122 1.717 -2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.330 0.169 -3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.449 0.469 -5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.275 1.998 -5.441 1.00 0.00 H new ATOM 0 HE ARG A 35 11.715 0.021 -3.980 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.962 0.844 -7.364 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.445 0.112 -7.985 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.614 -0.915 -4.800 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.943 -0.882 -6.535 1.00 0.00 H new ATOM 533 N VAL A 36 5.902 3.819 -1.583 1.00 0.00 N ATOM 534 CA VAL A 36 4.752 4.718 -1.598 1.00 0.00 C ATOM 535 C VAL A 36 5.200 6.076 -2.144 1.00 0.00 C ATOM 536 O VAL A 36 6.315 6.513 -1.861 1.00 0.00 O ATOM 537 CB VAL A 36 4.139 4.816 -0.188 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.916 5.740 -0.159 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.688 3.439 0.313 1.00 0.00 C ATOM 0 H VAL A 36 6.508 3.960 -0.775 1.00 0.00 H new ATOM 0 HA VAL A 36 3.968 4.334 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 36 4.921 5.221 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.515 5.781 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.209 6.742 -0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.153 5.356 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.259 3.537 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.938 3.032 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.545 2.767 0.351 1.00 0.00 H new ATOM 549 N SER A 37 4.339 6.730 -2.936 1.00 0.00 N ATOM 550 CA SER A 37 4.653 7.978 -3.618 1.00 0.00 C ATOM 551 C SER A 37 3.459 8.931 -3.578 1.00 0.00 C ATOM 552 O SER A 37 2.337 8.543 -3.900 1.00 0.00 O ATOM 553 CB SER A 37 5.046 7.674 -5.067 1.00 0.00 C ATOM 554 OG SER A 37 5.283 8.868 -5.786 1.00 0.00 O ATOM 0 H SER A 37 3.393 6.396 -3.119 1.00 0.00 H new ATOM 0 HA SER A 37 5.486 8.464 -3.110 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.941 7.052 -5.083 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.253 7.104 -5.551 1.00 0.00 H new ATOM 0 HG SER A 37 6.248 9.032 -5.839 1.00 0.00 H new ATOM 560 N LEU A 38 3.732 10.187 -3.204 1.00 0.00 N ATOM 561 CA LEU A 38 2.806 11.306 -3.291 1.00 0.00 C ATOM 562 C LEU A 38 2.601 11.673 -4.761 1.00 0.00 C ATOM 563 O LEU A 38 1.466 11.772 -5.220 1.00 0.00 O ATOM 564 CB LEU A 38 3.390 12.490 -2.500 1.00 0.00 C ATOM 565 CG LEU A 38 2.571 13.788 -2.587 1.00 0.00 C ATOM 566 CD1 LEU A 38 1.189 13.631 -1.944 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.342 14.908 -1.880 1.00 0.00 C ATOM 0 H LEU A 38 4.638 10.454 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 38 1.838 11.042 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.478 12.201 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.399 12.688 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 38 2.421 14.030 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.641 14.570 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.637 12.843 -2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.305 13.369 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.770 15.834 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.497 14.639 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.308 15.048 -2.366 1.00 0.00 H new ATOM 579 N ALA A 39 3.713 11.871 -5.483 1.00 0.00 N ATOM 580 CA ALA A 39 3.743 12.299 -6.875 1.00 0.00 C ATOM 581 C ALA A 39 2.925 11.372 -7.774 1.00 0.00 C ATOM 582 O ALA A 39 2.129 11.848 -8.581 1.00 0.00 O ATOM 583 CB ALA A 39 5.196 12.374 -7.352 1.00 0.00 C ATOM 0 H ALA A 39 4.645 11.731 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 39 3.287 13.287 -6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.221 12.694 -8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.744 13.090 -6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.659 11.391 -7.263 1.00 0.00 H new ATOM 589 N ASN A 40 3.114 10.055 -7.627 1.00 0.00 N ATOM 590 CA ASN A 40 2.385 9.055 -8.401 1.00 0.00 C ATOM 591 C ASN A 40 1.081 8.653 -7.701 1.00 0.00 C ATOM 592 O ASN A 40 0.276 7.937 -8.295 1.00 0.00 O ATOM 593 CB ASN A 40 3.274 7.830 -8.647 1.00 0.00 C ATOM 594 CG ASN A 40 4.543 8.183 -9.420 1.00 0.00 C ATOM 595 OD1 ASN A 40 4.562 8.122 -10.647 1.00 0.00 O ATOM 596 ND2 ASN A 40 5.611 8.547 -8.707 1.00 0.00 N ATOM 0 H ASN A 40 3.780 9.656 -6.965 1.00 0.00 H new ATOM 0 HA ASN A 40 2.118 9.493 -9.363 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.546 7.383 -7.691 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.710 7.080 -9.201 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.482 8.787 -9.180 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.556 8.586 -7.689 1.00 0.00 H new ATOM 603 N SER A 41 0.865 9.115 -6.459 1.00 0.00 N ATOM 604 CA SER A 41 -0.357 8.927 -5.690 1.00 0.00 C ATOM 605 C SER A 41 -0.722 7.445 -5.598 1.00 0.00 C ATOM 606 O SER A 41 -1.811 7.040 -6.004 1.00 0.00 O ATOM 607 CB SER A 41 -1.487 9.784 -6.278 1.00 0.00 C ATOM 608 OG SER A 41 -1.053 11.119 -6.451 1.00 0.00 O ATOM 0 H SER A 41 1.570 9.649 -5.951 1.00 0.00 H new ATOM 0 HA SER A 41 -0.194 9.266 -4.667 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.805 9.371 -7.235 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.353 9.759 -5.617 1.00 0.00 H new ATOM 0 HG SER A 41 -0.226 11.262 -5.946 1.00 0.00 H new ATOM 614 N ASN A 42 0.207 6.631 -5.083 1.00 0.00 N ATOM 615 CA ASN A 42 0.065 5.182 -5.077 1.00 0.00 C ATOM 616 C ASN A 42 0.995 4.523 -4.060 1.00 0.00 C ATOM 617 O ASN A 42 1.841 5.184 -3.457 1.00 0.00 O ATOM 618 CB ASN A 42 0.271 4.620 -6.498 1.00 0.00 C ATOM 619 CG ASN A 42 1.679 4.826 -7.060 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.568 5.347 -6.392 1.00 0.00 O ATOM 621 ND2 ASN A 42 1.885 4.407 -8.309 1.00 0.00 N ATOM 0 H ASN A 42 1.074 6.964 -4.661 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.951 4.941 -4.763 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.049 3.553 -6.490 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.448 5.090 -7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.804 4.515 -8.738 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.124 3.978 -8.835 1.00 0.00 H new ATOM 628 N GLY A 43 0.815 3.207 -3.890 1.00 0.00 N ATOM 629 CA GLY A 43 1.579 2.343 -3.011 1.00 0.00 C ATOM 630 C GLY A 43 1.893 1.039 -3.735 1.00 0.00 C ATOM 631 O GLY A 43 0.987 0.255 -4.013 1.00 0.00 O ATOM 0 H GLY A 43 0.089 2.698 -4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.503 2.837 -2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.015 2.140 -2.101 1.00 0.00 H new ATOM 635 N THR A 44 3.179 0.813 -4.027 1.00 0.00 N ATOM 636 CA THR A 44 3.683 -0.392 -4.669 1.00 0.00 C ATOM 637 C THR A 44 4.245 -1.282 -3.565 1.00 0.00 C ATOM 638 O THR A 44 5.323 -1.004 -3.043 1.00 0.00 O ATOM 639 CB THR A 44 4.744 -0.016 -5.714 1.00 0.00 C ATOM 640 OG1 THR A 44 4.150 0.813 -6.692 1.00 0.00 O ATOM 641 CG2 THR A 44 5.326 -1.259 -6.396 1.00 0.00 C ATOM 0 H THR A 44 3.914 1.487 -3.814 1.00 0.00 H new ATOM 0 HA THR A 44 2.899 -0.930 -5.202 1.00 0.00 H new ATOM 0 HB THR A 44 5.556 0.505 -5.207 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.821 1.060 -7.363 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.073 -0.955 -7.129 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.791 -1.900 -5.648 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.528 -1.807 -6.897 1.00 0.00 H new ATOM 649 N VAL A 45 3.496 -2.329 -3.200 1.00 0.00 N ATOM 650 CA VAL A 45 3.767 -3.167 -2.040 1.00 0.00 C ATOM 651 C VAL A 45 4.077 -4.589 -2.502 1.00 0.00 C ATOM 652 O VAL A 45 3.253 -5.192 -3.187 1.00 0.00 O ATOM 653 CB VAL A 45 2.544 -3.163 -1.102 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.887 -3.876 0.212 1.00 0.00 C ATOM 655 CG2 VAL A 45 2.058 -1.740 -0.794 1.00 0.00 C ATOM 0 H VAL A 45 2.667 -2.619 -3.719 1.00 0.00 H new ATOM 0 HA VAL A 45 4.627 -2.776 -1.497 1.00 0.00 H new ATOM 0 HB VAL A 45 1.741 -3.690 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.017 -3.868 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.174 -4.906 0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.714 -3.361 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.195 -1.786 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.858 -1.179 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.775 -1.243 -1.722 1.00 0.00 H new ATOM 665 N GLU A 46 5.245 -5.122 -2.115 1.00 0.00 N ATOM 666 CA GLU A 46 5.595 -6.527 -2.284 1.00 0.00 C ATOM 667 C GLU A 46 5.135 -7.270 -1.031 1.00 0.00 C ATOM 668 O GLU A 46 5.388 -6.804 0.080 1.00 0.00 O ATOM 669 CB GLU A 46 7.106 -6.669 -2.484 1.00 0.00 C ATOM 670 CG GLU A 46 7.503 -8.117 -2.798 1.00 0.00 C ATOM 671 CD GLU A 46 9.012 -8.241 -2.980 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.462 -8.074 -4.134 1.00 0.00 O ATOM 673 OE2 GLU A 46 9.689 -8.499 -1.961 1.00 0.00 O ATOM 0 H GLU A 46 5.981 -4.574 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 46 5.108 -6.947 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.428 -6.019 -3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.625 -6.336 -1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.175 -8.771 -1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.995 -8.449 -3.703 1.00 0.00 H new ATOM 680 N TYR A 47 4.448 -8.404 -1.208 1.00 0.00 N ATOM 681 CA TYR A 47 3.790 -9.111 -0.120 1.00 0.00 C ATOM 682 C TYR A 47 3.722 -10.617 -0.371 1.00 0.00 C ATOM 683 O TYR A 47 3.879 -11.072 -1.502 1.00 0.00 O ATOM 684 CB TYR A 47 2.379 -8.541 0.068 1.00 0.00 C ATOM 685 CG TYR A 47 1.430 -8.892 -1.066 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.494 -8.188 -2.282 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.503 -9.940 -0.917 1.00 0.00 C ATOM 688 CE1 TYR A 47 0.700 -8.586 -3.370 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.308 -10.322 -1.999 1.00 0.00 C ATOM 690 CZ TYR A 47 -0.189 -9.663 -3.235 1.00 0.00 C ATOM 691 OH TYR A 47 -0.930 -10.071 -4.306 1.00 0.00 O ATOM 0 H TYR A 47 4.336 -8.854 -2.117 1.00 0.00 H new ATOM 0 HA TYR A 47 4.378 -8.964 0.786 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.967 -8.914 1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.442 -7.456 0.156 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.155 -7.340 -2.379 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.415 -10.451 0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.774 -8.062 -4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.023 -11.123 -1.881 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.494 -10.829 -4.044 1.00 0.00 H new ATOM 701 N ASP A 48 3.460 -11.378 0.699 1.00 0.00 N ATOM 702 CA ASP A 48 3.210 -12.813 0.656 1.00 0.00 C ATOM 703 C ASP A 48 1.694 -13.082 0.659 1.00 0.00 C ATOM 704 O ASP A 48 1.040 -12.771 1.655 1.00 0.00 O ATOM 705 CB ASP A 48 3.880 -13.470 1.865 1.00 0.00 C ATOM 706 CG ASP A 48 3.654 -14.977 1.856 1.00 0.00 C ATOM 707 OD1 ASP A 48 4.414 -15.666 1.144 1.00 0.00 O ATOM 708 OD2 ASP A 48 2.714 -15.408 2.558 1.00 0.00 O ATOM 0 H ASP A 48 3.416 -10.995 1.643 1.00 0.00 H new ATOM 0 HA ASP A 48 3.627 -13.236 -0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.949 -13.258 1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.480 -13.043 2.785 1.00 0.00 H new ATOM 713 N PRO A 49 1.128 -13.661 -0.419 1.00 0.00 N ATOM 714 CA PRO A 49 -0.288 -13.996 -0.551 1.00 0.00 C ATOM 715 C PRO A 49 -0.916 -14.727 0.639 1.00 0.00 C ATOM 716 O PRO A 49 -2.071 -14.467 0.971 1.00 0.00 O ATOM 717 CB PRO A 49 -0.398 -14.843 -1.820 1.00 0.00 C ATOM 718 CG PRO A 49 0.728 -14.291 -2.685 1.00 0.00 C ATOM 719 CD PRO A 49 1.817 -13.985 -1.660 1.00 0.00 C ATOM 0 HA PRO A 49 -0.853 -13.065 -0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.266 -15.905 -1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.370 -14.731 -2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.062 -15.016 -3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.421 -13.398 -3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.477 -14.842 -1.526 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.438 -13.152 -1.989 1.00 0.00 H new ATOM 727 N LEU A 50 -0.181 -15.651 1.270 1.00 0.00 N ATOM 728 CA LEU A 50 -0.720 -16.479 2.341 1.00 0.00 C ATOM 729 C LEU A 50 -0.980 -15.655 3.607 1.00 0.00 C ATOM 730 O LEU A 50 -1.880 -15.991 4.375 1.00 0.00 O ATOM 731 CB LEU A 50 0.203 -17.668 2.655 1.00 0.00 C ATOM 732 CG LEU A 50 0.385 -18.672 1.500 1.00 0.00 C ATOM 733 CD1 LEU A 50 1.435 -18.232 0.469 1.00 0.00 C ATOM 734 CD2 LEU A 50 0.828 -20.020 2.084 1.00 0.00 C ATOM 0 H LEU A 50 0.797 -15.840 1.050 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.673 -16.875 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.182 -17.283 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.195 -18.199 3.520 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.573 -18.739 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.512 -18.985 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.137 -17.279 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.402 -18.119 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.961 -20.740 1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.771 -19.894 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.068 -20.385 2.775 1.00 0.00 H new ATOM 746 N LEU A 51 -0.196 -14.591 3.828 1.00 0.00 N ATOM 747 CA LEU A 51 -0.228 -13.791 5.047 1.00 0.00 C ATOM 748 C LEU A 51 -1.037 -12.503 4.865 1.00 0.00 C ATOM 749 O LEU A 51 -1.655 -12.043 5.825 1.00 0.00 O ATOM 750 CB LEU A 51 1.211 -13.488 5.483 1.00 0.00 C ATOM 751 CG LEU A 51 1.992 -14.739 5.927 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.476 -14.387 6.069 1.00 0.00 C ATOM 753 CD2 LEU A 51 1.482 -15.291 7.265 1.00 0.00 C ATOM 0 H LEU A 51 0.489 -14.261 3.148 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.731 -14.361 5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.740 -13.012 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.191 -12.771 6.304 1.00 0.00 H new ATOM 0 HG LEU A 51 1.847 -15.506 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.031 -15.271 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.861 -14.039 5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.594 -13.601 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.061 -16.173 7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.591 -14.530 8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.431 -15.563 7.169 1.00 0.00 H new ATOM 765 N THR A 52 -1.052 -11.920 3.659 1.00 0.00 N ATOM 766 CA THR A 52 -1.862 -10.746 3.344 1.00 0.00 C ATOM 767 C THR A 52 -2.221 -10.747 1.855 1.00 0.00 C ATOM 768 O THR A 52 -1.718 -11.576 1.101 1.00 0.00 O ATOM 769 CB THR A 52 -1.138 -9.464 3.794 1.00 0.00 C ATOM 770 OG1 THR A 52 -1.999 -8.350 3.684 1.00 0.00 O ATOM 771 CG2 THR A 52 0.130 -9.194 2.981 1.00 0.00 C ATOM 0 H THR A 52 -0.497 -12.256 2.872 1.00 0.00 H new ATOM 0 HA THR A 52 -2.801 -10.780 3.896 1.00 0.00 H new ATOM 0 HB THR A 52 -0.848 -9.617 4.834 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.527 -7.542 3.975 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.603 -8.279 3.338 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.821 -10.029 3.097 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.130 -9.082 1.928 1.00 0.00 H new ATOM 779 N SER A 53 -3.101 -9.829 1.436 1.00 0.00 N ATOM 780 CA SER A 53 -3.638 -9.765 0.080 1.00 0.00 C ATOM 781 C SER A 53 -3.779 -8.305 -0.369 1.00 0.00 C ATOM 782 O SER A 53 -3.757 -7.411 0.477 1.00 0.00 O ATOM 783 CB SER A 53 -4.993 -10.485 0.047 1.00 0.00 C ATOM 784 OG SER A 53 -5.992 -9.709 0.678 1.00 0.00 O ATOM 0 H SER A 53 -3.464 -9.097 2.046 1.00 0.00 H new ATOM 0 HA SER A 53 -2.955 -10.259 -0.611 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.279 -10.683 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.908 -11.451 0.545 1.00 0.00 H new ATOM 0 HG SER A 53 -6.847 -10.186 0.644 1.00 0.00 H new ATOM 790 N PRO A 54 -3.947 -8.039 -1.679 1.00 0.00 N ATOM 791 CA PRO A 54 -4.231 -6.706 -2.194 1.00 0.00 C ATOM 792 C PRO A 54 -5.439 -6.070 -1.507 1.00 0.00 C ATOM 793 O PRO A 54 -5.418 -4.878 -1.222 1.00 0.00 O ATOM 794 CB PRO A 54 -4.468 -6.874 -3.698 1.00 0.00 C ATOM 795 CG PRO A 54 -3.677 -8.136 -4.028 1.00 0.00 C ATOM 796 CD PRO A 54 -3.899 -8.987 -2.780 1.00 0.00 C ATOM 0 HA PRO A 54 -3.399 -6.031 -1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.527 -6.989 -3.930 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.109 -6.013 -4.262 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.049 -8.627 -4.928 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.621 -7.924 -4.194 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.826 -9.556 -2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.092 -9.707 -2.645 1.00 0.00 H new ATOM 804 N GLU A 55 -6.482 -6.865 -1.237 1.00 0.00 N ATOM 805 CA GLU A 55 -7.695 -6.411 -0.574 1.00 0.00 C ATOM 806 C GLU A 55 -7.435 -6.036 0.886 1.00 0.00 C ATOM 807 O GLU A 55 -7.998 -5.053 1.362 1.00 0.00 O ATOM 808 CB GLU A 55 -8.786 -7.484 -0.685 1.00 0.00 C ATOM 809 CG GLU A 55 -9.243 -7.693 -2.136 1.00 0.00 C ATOM 810 CD GLU A 55 -9.920 -6.445 -2.699 1.00 0.00 C ATOM 811 OE1 GLU A 55 -11.120 -6.266 -2.396 1.00 0.00 O ATOM 812 OE2 GLU A 55 -9.230 -5.685 -3.413 1.00 0.00 O ATOM 0 H GLU A 55 -6.500 -7.856 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.040 -5.508 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.410 -8.425 -0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.641 -7.196 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.384 -7.952 -2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.934 -8.535 -2.182 1.00 0.00 H new ATOM 819 N THR A 56 -6.591 -6.795 1.597 1.00 0.00 N ATOM 820 CA THR A 56 -6.209 -6.471 2.968 1.00 0.00 C ATOM 821 C THR A 56 -5.488 -5.119 3.002 1.00 0.00 C ATOM 822 O THR A 56 -5.836 -4.247 3.797 1.00 0.00 O ATOM 823 CB THR A 56 -5.317 -7.580 3.546 1.00 0.00 C ATOM 824 OG1 THR A 56 -5.926 -8.842 3.374 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.046 -7.363 5.039 1.00 0.00 C ATOM 0 H THR A 56 -6.159 -7.645 1.236 1.00 0.00 H new ATOM 0 HA THR A 56 -7.106 -6.401 3.583 1.00 0.00 H new ATOM 0 HB THR A 56 -4.370 -7.546 3.007 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.862 -9.111 2.434 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.412 -8.166 5.414 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.543 -6.407 5.182 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.990 -7.361 5.584 1.00 0.00 H new ATOM 833 N LEU A 57 -4.484 -4.959 2.132 1.00 0.00 N ATOM 834 CA LEU A 57 -3.668 -3.758 2.026 1.00 0.00 C ATOM 835 C LEU A 57 -4.536 -2.547 1.670 1.00 0.00 C ATOM 836 O LEU A 57 -4.502 -1.534 2.367 1.00 0.00 O ATOM 837 CB LEU A 57 -2.570 -3.992 0.978 1.00 0.00 C ATOM 838 CG LEU A 57 -1.555 -5.075 1.391 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.737 -5.505 0.168 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.604 -4.560 2.474 1.00 0.00 C ATOM 0 H LEU A 57 -4.215 -5.684 1.467 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.198 -3.545 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.033 -4.279 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.040 -3.056 0.801 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.110 -5.923 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.019 -6.271 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.405 -5.906 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.204 -4.644 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.100 -5.347 2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.056 -3.697 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.178 -4.269 3.354 1.00 0.00 H new ATOM 852 N ARG A 58 -5.324 -2.666 0.595 1.00 0.00 N ATOM 853 CA ARG A 58 -6.294 -1.672 0.151 1.00 0.00 C ATOM 854 C ARG A 58 -7.223 -1.288 1.305 1.00 0.00 C ATOM 855 O ARG A 58 -7.459 -0.106 1.542 1.00 0.00 O ATOM 856 CB ARG A 58 -7.085 -2.246 -1.033 1.00 0.00 C ATOM 857 CG ARG A 58 -8.029 -1.217 -1.665 1.00 0.00 C ATOM 858 CD ARG A 58 -8.926 -1.868 -2.724 1.00 0.00 C ATOM 859 NE ARG A 58 -9.780 -2.924 -2.163 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.836 -2.724 -1.355 1.00 0.00 C ATOM 861 NH1 ARG A 58 -11.213 -1.488 -0.998 1.00 0.00 N ATOM 862 NH2 ARG A 58 -11.527 -3.779 -0.903 1.00 0.00 N ATOM 0 H ARG A 58 -5.299 -3.489 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.780 -0.767 -0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.388 -2.607 -1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.664 -3.106 -0.696 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.647 -0.762 -0.891 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.447 -0.416 -2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.553 -1.104 -3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.304 -2.289 -3.514 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.553 -3.888 -2.407 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.696 -0.678 -1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.017 -1.357 -0.384 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.250 -4.723 -1.172 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.330 -3.638 -0.290 1.00 0.00 H new ATOM 876 N GLY A 59 -7.734 -2.296 2.023 1.00 0.00 N ATOM 877 CA GLY A 59 -8.587 -2.135 3.186 1.00 0.00 C ATOM 878 C GLY A 59 -7.934 -1.241 4.237 1.00 0.00 C ATOM 879 O GLY A 59 -8.540 -0.264 4.662 1.00 0.00 O ATOM 0 H GLY A 59 -7.554 -3.274 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.541 -1.705 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.802 -3.112 3.620 1.00 0.00 H new ATOM 883 N ALA A 60 -6.702 -1.563 4.648 1.00 0.00 N ATOM 884 CA ALA A 60 -5.963 -0.800 5.647 1.00 0.00 C ATOM 885 C ALA A 60 -5.771 0.658 5.219 1.00 0.00 C ATOM 886 O ALA A 60 -5.969 1.563 6.025 1.00 0.00 O ATOM 887 CB ALA A 60 -4.617 -1.476 5.921 1.00 0.00 C ATOM 0 H ALA A 60 -6.190 -2.369 4.290 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.546 -0.785 6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.067 -0.903 6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.786 -2.487 6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.037 -1.520 4.999 1.00 0.00 H new ATOM 893 N ILE A 61 -5.398 0.896 3.956 1.00 0.00 N ATOM 894 CA ILE A 61 -5.237 2.244 3.420 1.00 0.00 C ATOM 895 C ILE A 61 -6.570 3.002 3.495 1.00 0.00 C ATOM 896 O ILE A 61 -6.608 4.164 3.901 1.00 0.00 O ATOM 897 CB ILE A 61 -4.696 2.173 1.980 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.292 1.544 1.940 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.618 3.581 1.376 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.964 0.952 0.566 1.00 0.00 C ATOM 0 H ILE A 61 -5.201 0.157 3.281 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.512 2.794 4.020 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.381 1.552 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.549 2.300 2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.224 0.762 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.234 3.519 0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.613 4.027 1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.952 4.199 1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.964 0.520 0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.690 0.177 0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.005 1.738 -0.188 1.00 0.00 H new ATOM 912 N GLU A 62 -7.666 2.340 3.110 1.00 0.00 N ATOM 913 CA GLU A 62 -9.009 2.896 3.172 1.00 0.00 C ATOM 914 C GLU A 62 -9.393 3.234 4.618 1.00 0.00 C ATOM 915 O GLU A 62 -10.004 4.273 4.863 1.00 0.00 O ATOM 916 CB GLU A 62 -9.989 1.914 2.516 1.00 0.00 C ATOM 917 CG GLU A 62 -11.358 2.544 2.249 1.00 0.00 C ATOM 918 CD GLU A 62 -12.253 1.569 1.489 1.00 0.00 C ATOM 919 OE1 GLU A 62 -12.045 1.443 0.262 1.00 0.00 O ATOM 920 OE2 GLU A 62 -13.125 0.962 2.147 1.00 0.00 O ATOM 0 H GLU A 62 -7.638 1.389 2.742 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.049 3.834 2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.567 1.558 1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.112 1.044 3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.829 2.820 3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.237 3.461 1.673 1.00 0.00 H new ATOM 927 N ASP A 63 -9.020 2.368 5.569 1.00 0.00 N ATOM 928 CA ASP A 63 -9.258 2.556 6.995 1.00 0.00 C ATOM 929 C ASP A 63 -8.505 3.781 7.520 1.00 0.00 C ATOM 930 O ASP A 63 -9.063 4.538 8.311 1.00 0.00 O ATOM 931 CB ASP A 63 -8.870 1.290 7.776 1.00 0.00 C ATOM 932 CG ASP A 63 -9.698 0.060 7.402 1.00 0.00 C ATOM 933 OD1 ASP A 63 -10.873 0.243 7.014 1.00 0.00 O ATOM 934 OD2 ASP A 63 -9.138 -1.052 7.518 1.00 0.00 O ATOM 0 H ASP A 63 -8.533 1.497 5.357 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.323 2.735 7.144 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.816 1.075 7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.983 1.483 8.843 1.00 0.00 H new ATOM 939 N MET A 64 -7.254 3.988 7.081 1.00 0.00 N ATOM 940 CA MET A 64 -6.495 5.191 7.410 1.00 0.00 C ATOM 941 C MET A 64 -7.231 6.437 6.907 1.00 0.00 C ATOM 942 O MET A 64 -7.361 7.405 7.654 1.00 0.00 O ATOM 943 CB MET A 64 -5.069 5.123 6.847 1.00 0.00 C ATOM 944 CG MET A 64 -4.213 4.091 7.589 1.00 0.00 C ATOM 945 SD MET A 64 -2.525 3.904 6.954 1.00 0.00 S ATOM 946 CE MET A 64 -1.832 5.503 7.444 1.00 0.00 C ATOM 0 H MET A 64 -6.748 3.327 6.492 1.00 0.00 H new ATOM 0 HA MET A 64 -6.411 5.256 8.495 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.108 4.869 5.788 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.601 6.105 6.922 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.161 4.372 8.641 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.713 3.124 7.542 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.764 5.394 7.634 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.986 6.227 6.644 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.328 5.852 8.350 1.00 0.00 H new ATOM 956 N GLY A 65 -7.722 6.401 5.660 1.00 0.00 N ATOM 957 CA GLY A 65 -8.621 7.412 5.119 1.00 0.00 C ATOM 958 C GLY A 65 -8.113 7.970 3.796 1.00 0.00 C ATOM 959 O GLY A 65 -7.828 9.163 3.700 1.00 0.00 O ATOM 0 H GLY A 65 -7.499 5.658 4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.611 6.979 4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.730 8.224 5.838 1.00 0.00 H new ATOM 963 N PHE A 66 -8.015 7.109 2.776 1.00 0.00 N ATOM 964 CA PHE A 66 -7.686 7.496 1.410 1.00 0.00 C ATOM 965 C PHE A 66 -8.535 6.684 0.435 1.00 0.00 C ATOM 966 O PHE A 66 -9.019 5.607 0.781 1.00 0.00 O ATOM 967 CB PHE A 66 -6.194 7.276 1.141 1.00 0.00 C ATOM 968 CG PHE A 66 -5.279 8.046 2.070 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.963 9.387 1.786 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.760 7.433 3.226 1.00 0.00 C ATOM 971 CE1 PHE A 66 -4.172 10.128 2.679 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.967 8.174 4.119 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.677 9.523 3.847 1.00 0.00 C ATOM 0 H PHE A 66 -8.166 6.106 2.885 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.902 8.555 1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.973 6.212 1.229 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.975 7.563 0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.329 9.847 0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.971 6.393 3.427 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.944 11.162 2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.581 7.708 5.013 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.073 10.095 4.536 1.00 0.00 H new ATOM 983 N ASP A 67 -8.704 7.195 -0.789 1.00 0.00 N ATOM 984 CA ASP A 67 -9.395 6.480 -1.851 1.00 0.00 C ATOM 985 C ASP A 67 -8.445 5.417 -2.403 1.00 0.00 C ATOM 986 O ASP A 67 -7.636 5.699 -3.286 1.00 0.00 O ATOM 987 CB ASP A 67 -9.861 7.469 -2.924 1.00 0.00 C ATOM 988 CG ASP A 67 -10.459 6.752 -4.134 1.00 0.00 C ATOM 989 OD1 ASP A 67 -11.493 6.077 -3.940 1.00 0.00 O ATOM 990 OD2 ASP A 67 -9.871 6.890 -5.229 1.00 0.00 O ATOM 0 H ASP A 67 -8.363 8.116 -1.065 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.289 5.981 -1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.603 8.145 -2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.018 8.082 -3.244 1.00 0.00 H new ATOM 995 N ALA A 68 -8.552 4.201 -1.856 1.00 0.00 N ATOM 996 CA ALA A 68 -7.684 3.077 -2.160 1.00 0.00 C ATOM 997 C ALA A 68 -8.378 2.158 -3.162 1.00 0.00 C ATOM 998 O ALA A 68 -9.464 1.649 -2.883 1.00 0.00 O ATOM 999 CB ALA A 68 -7.372 2.324 -0.865 1.00 0.00 C ATOM 0 H ALA A 68 -9.271 3.973 -1.169 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.751 3.429 -2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.720 1.478 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.873 2.995 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.300 1.962 -0.422 1.00 0.00 H new ATOM 1005 N THR A 69 -7.751 1.946 -4.323 1.00 0.00 N ATOM 1006 CA THR A 69 -8.255 1.069 -5.369 1.00 0.00 C ATOM 1007 C THR A 69 -7.069 0.453 -6.111 1.00 0.00 C ATOM 1008 O THR A 69 -6.020 1.080 -6.218 1.00 0.00 O ATOM 1009 CB THR A 69 -9.206 1.844 -6.297 1.00 0.00 C ATOM 1010 OG1 THR A 69 -9.806 0.956 -7.216 1.00 0.00 O ATOM 1011 CG2 THR A 69 -8.509 2.969 -7.071 1.00 0.00 C ATOM 0 H THR A 69 -6.864 2.390 -4.561 1.00 0.00 H new ATOM 0 HA THR A 69 -8.839 0.254 -4.941 1.00 0.00 H new ATOM 0 HB THR A 69 -9.957 2.307 -5.657 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.412 1.454 -7.804 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.234 3.477 -7.707 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.080 3.683 -6.368 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.716 2.548 -7.689 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.222 -0.777 -6.610 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.149 -1.475 -7.305 1.00 0.00 C ATOM 1021 C LEU A 70 -5.900 -0.834 -8.673 1.00 0.00 C ATOM 1022 O LEU A 70 -6.813 -0.259 -9.265 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.496 -2.963 -7.466 1.00 0.00 C ATOM 1024 CG LEU A 70 -6.897 -3.670 -6.159 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -7.129 -5.156 -6.447 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -5.832 -3.526 -5.065 1.00 0.00 C ATOM 0 H LEU A 70 -8.089 -1.310 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.238 -1.395 -6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.314 -3.057 -8.181 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.637 -3.479 -7.895 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.808 -3.197 -5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.414 -5.665 -5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.926 -5.264 -7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.213 -5.598 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.164 -4.042 -4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.895 -3.963 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.679 -2.470 -4.843 1.00 0.00 H new