USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 644 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 27 CYS SG : rot 151:sc= -2.94! USER MOD Set 1.2: A 77 CYS SG : rot -72:sc= -1.4! USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -45:sc= 0.634 USER MOD Single : A 24 MET CE :methyl 168:sc= -0.0441 (180deg=-0.264) USER MOD Single : A 39 TYR OH : rot 61:sc= 0.201 USER MOD Single : A 40 LYS NZ :NH3+ -114:sc= 0.101 (180deg=-0.121) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 59 HIS : no HE2:sc= -0.0335 X(o=-0.034,f=-0.43) USER MOD Single : A 67 THR OG1 : rot 84:sc= -0.0351 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 83 CYS SG : rot 1:sc= -2.25! USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N VAL A 4 -11.977 -11.730 -2.565 1.00 52.23 N ATOM 51 CA VAL A 4 -10.556 -11.447 -2.224 1.00 41.32 C ATOM 52 C VAL A 4 -10.416 -11.198 -0.698 1.00 54.43 C ATOM 53 O VAL A 4 -11.384 -10.800 -0.043 1.00 1.31 O ATOM 54 CB VAL A 4 -10.021 -10.211 -3.050 1.00 52.31 C ATOM 55 CG1 VAL A 4 -10.854 -8.930 -2.774 1.00 1.40 C ATOM 56 CG2 VAL A 4 -8.504 -9.958 -2.815 1.00 41.12 C ATOM 0 HA VAL A 4 -9.951 -12.313 -2.490 1.00 41.32 H new ATOM 0 HB VAL A 4 -10.145 -10.465 -4.103 1.00 52.31 H new ATOM 0 HG11 VAL A 4 -10.454 -8.103 -3.361 1.00 1.40 H new ATOM 0 HG12 VAL A 4 -11.893 -9.104 -3.053 1.00 1.40 H new ATOM 0 HG13 VAL A 4 -10.800 -8.682 -1.714 1.00 1.40 H new ATOM 0 HG21 VAL A 4 -8.183 -9.099 -3.404 1.00 41.12 H new ATOM 0 HG22 VAL A 4 -8.328 -9.760 -1.758 1.00 41.12 H new ATOM 0 HG23 VAL A 4 -7.937 -10.838 -3.119 1.00 41.12 H new ATOM 66 N HIS A 5 -9.216 -11.462 -0.133 1.00 13.23 N ATOM 67 CA HIS A 5 -8.913 -11.195 1.295 1.00 20.34 C ATOM 68 C HIS A 5 -7.513 -10.536 1.436 1.00 34.41 C ATOM 69 O HIS A 5 -6.671 -10.702 0.561 1.00 72.14 O ATOM 70 CB HIS A 5 -9.029 -12.509 2.120 1.00 12.01 C ATOM 71 CG HIS A 5 -9.192 -12.297 3.607 1.00 63.34 C ATOM 72 ND1 HIS A 5 -10.411 -12.019 4.196 1.00 62.33 N ATOM 73 CD2 HIS A 5 -8.290 -12.296 4.616 1.00 23.50 C ATOM 74 CE1 HIS A 5 -10.250 -11.867 5.493 1.00 61.31 C ATOM 75 NE2 HIS A 5 -8.975 -12.027 5.775 1.00 42.20 N ATOM 0 H HIS A 5 -8.433 -11.864 -0.649 1.00 13.23 H new ATOM 0 HA HIS A 5 -9.643 -10.491 1.695 1.00 20.34 H new ATOM 0 HB2 HIS A 5 -9.880 -13.082 1.751 1.00 12.01 H new ATOM 0 HB3 HIS A 5 -8.138 -13.113 1.946 1.00 12.01 H new ATOM 0 HD2 HIS A 5 -7.229 -12.474 4.526 1.00 23.50 H new ATOM 0 HE1 HIS A 5 -11.032 -11.648 6.205 1.00 61.31 H new ATOM 0 HE2 HIS A 5 -8.562 -11.962 6.705 1.00 42.20 H new ATOM 84 N ILE A 6 -7.293 -9.746 2.513 1.00 42.02 N ATOM 85 CA ILE A 6 -5.960 -9.139 2.826 1.00 33.32 C ATOM 86 C ILE A 6 -5.178 -10.044 3.816 1.00 51.41 C ATOM 87 O ILE A 6 -5.717 -10.435 4.853 1.00 52.24 O ATOM 88 CB ILE A 6 -6.098 -7.694 3.463 1.00 1.34 C ATOM 89 CG1 ILE A 6 -6.922 -6.733 2.550 1.00 21.14 C ATOM 90 CG2 ILE A 6 -4.709 -7.072 3.797 1.00 3.32 C ATOM 91 CD1 ILE A 6 -6.302 -6.432 1.194 1.00 32.13 C ATOM 0 H ILE A 6 -8.020 -9.508 3.188 1.00 42.02 H new ATOM 0 HA ILE A 6 -5.422 -9.052 1.882 1.00 33.32 H new ATOM 0 HB ILE A 6 -6.644 -7.819 4.398 1.00 1.34 H new ATOM 0 HG12 ILE A 6 -7.909 -7.167 2.391 1.00 21.14 H new ATOM 0 HG13 ILE A 6 -7.069 -5.792 3.080 1.00 21.14 H new ATOM 0 HG21 ILE A 6 -4.849 -6.082 4.231 1.00 3.32 H new ATOM 0 HG22 ILE A 6 -4.186 -7.710 4.509 1.00 3.32 H new ATOM 0 HG23 ILE A 6 -4.119 -6.988 2.884 1.00 3.32 H new ATOM 0 HD11 ILE A 6 -6.952 -5.756 0.638 1.00 32.13 H new ATOM 0 HD12 ILE A 6 -5.328 -5.964 1.335 1.00 32.13 H new ATOM 0 HD13 ILE A 6 -6.181 -7.360 0.635 1.00 32.13 H new ATOM 103 N VAL A 7 -3.911 -10.378 3.484 1.00 51.35 N ATOM 104 CA VAL A 7 -2.996 -11.102 4.417 1.00 44.14 C ATOM 105 C VAL A 7 -2.024 -10.139 5.136 1.00 72.24 C ATOM 106 O VAL A 7 -1.564 -10.433 6.245 1.00 72.34 O ATOM 107 CB VAL A 7 -2.170 -12.226 3.689 1.00 24.33 C ATOM 108 CG1 VAL A 7 -3.080 -13.412 3.313 1.00 71.23 C ATOM 109 CG2 VAL A 7 -1.398 -11.676 2.454 1.00 70.13 C ATOM 0 H VAL A 7 -3.492 -10.161 2.580 1.00 51.35 H new ATOM 0 HA VAL A 7 -3.642 -11.571 5.159 1.00 44.14 H new ATOM 0 HB VAL A 7 -1.416 -12.589 4.388 1.00 24.33 H new ATOM 0 HG11 VAL A 7 -2.490 -14.178 2.811 1.00 71.23 H new ATOM 0 HG12 VAL A 7 -3.524 -13.830 4.216 1.00 71.23 H new ATOM 0 HG13 VAL A 7 -3.870 -13.067 2.646 1.00 71.23 H new ATOM 0 HG21 VAL A 7 -0.842 -12.486 1.982 1.00 70.13 H new ATOM 0 HG22 VAL A 7 -2.106 -11.258 1.739 1.00 70.13 H new ATOM 0 HG23 VAL A 7 -0.705 -10.899 2.775 1.00 70.13 H new ATOM 119 N ASP A 8 -1.703 -9.006 4.483 1.00 32.33 N ATOM 120 CA ASP A 8 -0.792 -7.989 5.041 1.00 31.23 C ATOM 121 C ASP A 8 -1.009 -6.614 4.339 1.00 2.55 C ATOM 122 O ASP A 8 -1.054 -6.559 3.119 1.00 61.53 O ATOM 123 CB ASP A 8 0.679 -8.459 4.897 1.00 22.22 C ATOM 124 CG ASP A 8 1.683 -7.495 5.541 1.00 51.15 C ATOM 125 OD1 ASP A 8 1.649 -7.322 6.785 1.00 45.13 O ATOM 126 OD2 ASP A 8 2.510 -6.902 4.818 1.00 54.42 O ATOM 0 H ASP A 8 -2.066 -8.771 3.559 1.00 32.33 H new ATOM 0 HA ASP A 8 -1.012 -7.862 6.101 1.00 31.23 H new ATOM 0 HB2 ASP A 8 0.786 -9.444 5.352 1.00 22.22 H new ATOM 0 HB3 ASP A 8 0.917 -8.569 3.839 1.00 22.22 H new ATOM 131 N PRO A 9 -1.196 -5.480 5.090 1.00 11.15 N ATOM 132 CA PRO A 9 -1.352 -5.470 6.564 1.00 24.12 C ATOM 133 C PRO A 9 -2.809 -5.760 7.028 1.00 72.15 C ATOM 134 O PRO A 9 -3.776 -5.150 6.547 1.00 73.43 O ATOM 135 CB PRO A 9 -0.901 -4.043 6.933 1.00 62.32 C ATOM 136 CG PRO A 9 -1.332 -3.202 5.770 1.00 4.40 C ATOM 137 CD PRO A 9 -1.223 -4.093 4.539 1.00 54.43 C ATOM 0 HA PRO A 9 -0.775 -6.255 7.053 1.00 24.12 H new ATOM 0 HB2 PRO A 9 -1.366 -3.707 7.860 1.00 62.32 H new ATOM 0 HB3 PRO A 9 0.178 -3.993 7.081 1.00 62.32 H new ATOM 0 HG2 PRO A 9 -2.354 -2.846 5.904 1.00 4.40 H new ATOM 0 HG3 PRO A 9 -0.698 -2.321 5.670 1.00 4.40 H new ATOM 0 HD2 PRO A 9 -2.069 -3.948 3.867 1.00 54.43 H new ATOM 0 HD3 PRO A 9 -0.321 -3.874 3.968 1.00 54.43 H new ATOM 145 N ARG A 10 -2.938 -6.723 7.952 1.00 54.31 N ATOM 146 CA ARG A 10 -4.217 -7.045 8.627 1.00 23.44 C ATOM 147 C ARG A 10 -4.623 -5.878 9.558 1.00 52.04 C ATOM 148 O ARG A 10 -5.800 -5.504 9.654 1.00 73.31 O ATOM 149 CB ARG A 10 -4.063 -8.351 9.444 1.00 72.34 C ATOM 150 CG ARG A 10 -3.521 -9.538 8.622 1.00 71.25 C ATOM 151 CD ARG A 10 -3.252 -10.783 9.481 1.00 33.45 C ATOM 152 NE ARG A 10 -2.606 -11.864 8.715 1.00 44.34 N ATOM 153 CZ ARG A 10 -2.608 -13.136 9.048 1.00 0.55 C ATOM 154 NH1 ARG A 10 -3.266 -13.562 10.085 1.00 60.33 N ATOM 155 NH2 ARG A 10 -1.950 -13.979 8.331 1.00 32.53 N ATOM 0 H ARG A 10 -2.159 -7.306 8.258 1.00 54.31 H new ATOM 0 HA ARG A 10 -4.996 -7.187 7.878 1.00 23.44 H new ATOM 0 HB2 ARG A 10 -3.393 -8.167 10.284 1.00 72.34 H new ATOM 0 HB3 ARG A 10 -5.032 -8.623 9.863 1.00 72.34 H new ATOM 0 HG2 ARG A 10 -4.237 -9.790 7.840 1.00 71.25 H new ATOM 0 HG3 ARG A 10 -2.598 -9.239 8.125 1.00 71.25 H new ATOM 0 HD2 ARG A 10 -2.618 -10.509 10.324 1.00 33.45 H new ATOM 0 HD3 ARG A 10 -4.193 -11.146 9.895 1.00 33.45 H new ATOM 0 HE ARG A 10 -2.118 -11.604 7.858 1.00 44.34 H new ATOM 0 HH11 ARG A 10 -3.795 -12.905 10.659 1.00 60.33 H new ATOM 0 HH12 ARG A 10 -3.254 -14.553 10.325 1.00 60.33 H new ATOM 0 HH21 ARG A 10 -1.433 -13.658 7.512 1.00 32.53 H new ATOM 0 HH22 ARG A 10 -1.946 -14.968 8.582 1.00 32.53 H new ATOM 169 N GLU A 11 -3.596 -5.316 10.224 1.00 62.22 N ATOM 170 CA GLU A 11 -3.727 -4.179 11.158 1.00 43.34 C ATOM 171 C GLU A 11 -3.994 -2.842 10.415 1.00 41.54 C ATOM 172 O GLU A 11 -3.847 -2.745 9.188 1.00 60.21 O ATOM 173 CB GLU A 11 -2.421 -4.055 12.002 1.00 63.12 C ATOM 174 CG GLU A 11 -1.144 -3.812 11.160 1.00 22.12 C ATOM 175 CD GLU A 11 0.126 -3.608 12.004 1.00 43.31 C ATOM 176 OE1 GLU A 11 0.412 -2.460 12.407 1.00 54.31 O ATOM 177 OE2 GLU A 11 0.847 -4.595 12.269 1.00 54.03 O ATOM 0 H GLU A 11 -2.635 -5.644 10.127 1.00 62.22 H new ATOM 0 HA GLU A 11 -4.583 -4.373 11.805 1.00 43.34 H new ATOM 0 HB2 GLU A 11 -2.536 -3.236 12.712 1.00 63.12 H new ATOM 0 HB3 GLU A 11 -2.290 -4.966 12.585 1.00 63.12 H new ATOM 0 HG2 GLU A 11 -0.993 -4.660 10.493 1.00 22.12 H new ATOM 0 HG3 GLU A 11 -1.296 -2.935 10.531 1.00 22.12 H new ATOM 184 N HIS A 12 -4.383 -1.817 11.188 1.00 35.45 N ATOM 185 CA HIS A 12 -4.594 -0.444 10.687 1.00 72.23 C ATOM 186 C HIS A 12 -3.315 0.379 10.970 1.00 62.10 C ATOM 187 O HIS A 12 -3.077 0.797 12.109 1.00 41.21 O ATOM 188 CB HIS A 12 -5.839 0.170 11.380 1.00 34.23 C ATOM 189 CG HIS A 12 -7.056 -0.720 11.329 1.00 71.34 C ATOM 190 ND1 HIS A 12 -7.959 -0.704 10.289 1.00 24.00 N ATOM 191 CD2 HIS A 12 -7.499 -1.678 12.185 1.00 73.12 C ATOM 192 CE1 HIS A 12 -8.892 -1.612 10.501 1.00 72.52 C ATOM 193 NE2 HIS A 12 -8.636 -2.213 11.644 1.00 13.40 N ATOM 0 H HIS A 12 -4.562 -1.915 12.187 1.00 35.45 H new ATOM 0 HA HIS A 12 -4.779 -0.442 9.613 1.00 72.23 H new ATOM 0 HB2 HIS A 12 -5.597 0.383 12.421 1.00 34.23 H new ATOM 0 HB3 HIS A 12 -6.075 1.123 10.907 1.00 34.23 H new ATOM 0 HD2 HIS A 12 -7.039 -1.964 13.119 1.00 73.12 H new ATOM 0 HE1 HIS A 12 -9.725 -1.826 9.848 1.00 72.52 H new ATOM 0 HE2 HIS A 12 -9.195 -2.958 12.059 1.00 13.40 H new ATOM 202 N VAL A 13 -2.489 0.581 9.929 1.00 34.11 N ATOM 203 CA VAL A 13 -1.108 1.088 10.081 1.00 5.33 C ATOM 204 C VAL A 13 -1.060 2.634 10.110 1.00 22.10 C ATOM 205 O VAL A 13 -1.606 3.301 9.231 1.00 11.21 O ATOM 206 CB VAL A 13 -0.182 0.553 8.925 1.00 53.41 C ATOM 207 CG1 VAL A 13 1.292 0.985 9.122 1.00 74.22 C ATOM 208 CG2 VAL A 13 -0.290 -0.984 8.797 1.00 44.52 C ATOM 0 H VAL A 13 -2.755 0.399 8.961 1.00 34.11 H new ATOM 0 HA VAL A 13 -0.740 0.717 11.038 1.00 5.33 H new ATOM 0 HB VAL A 13 -0.533 1.001 7.996 1.00 53.41 H new ATOM 0 HG11 VAL A 13 1.898 0.596 8.304 1.00 74.22 H new ATOM 0 HG12 VAL A 13 1.354 2.073 9.134 1.00 74.22 H new ATOM 0 HG13 VAL A 13 1.663 0.590 10.068 1.00 74.22 H new ATOM 0 HG21 VAL A 13 0.359 -1.329 7.992 1.00 44.52 H new ATOM 0 HG22 VAL A 13 0.016 -1.450 9.734 1.00 44.52 H new ATOM 0 HG23 VAL A 13 -1.321 -1.259 8.575 1.00 44.52 H new ATOM 218 N PHE A 14 -0.419 3.182 11.154 1.00 40.42 N ATOM 219 CA PHE A 14 -0.120 4.622 11.276 1.00 34.43 C ATOM 220 C PHE A 14 1.392 4.846 11.027 1.00 51.03 C ATOM 221 O PHE A 14 2.229 4.412 11.825 1.00 0.05 O ATOM 222 CB PHE A 14 -0.532 5.135 12.686 1.00 42.33 C ATOM 223 CG PHE A 14 -2.039 5.074 12.977 1.00 12.41 C ATOM 224 CD1 PHE A 14 -2.663 3.869 13.310 1.00 13.24 C ATOM 225 CD2 PHE A 14 -2.833 6.223 12.920 1.00 52.20 C ATOM 226 CE1 PHE A 14 -4.024 3.814 13.566 1.00 40.25 C ATOM 227 CE2 PHE A 14 -4.193 6.165 13.178 1.00 54.11 C ATOM 228 CZ PHE A 14 -4.787 4.963 13.502 1.00 11.01 C ATOM 0 H PHE A 14 -0.089 2.633 11.948 1.00 40.42 H new ATOM 0 HA PHE A 14 -0.689 5.183 10.535 1.00 34.43 H new ATOM 0 HB2 PHE A 14 -0.006 4.548 13.439 1.00 42.33 H new ATOM 0 HB3 PHE A 14 -0.196 6.166 12.795 1.00 42.33 H new ATOM 0 HD1 PHE A 14 -2.075 2.965 13.369 1.00 13.24 H new ATOM 0 HD2 PHE A 14 -2.379 7.171 12.671 1.00 52.20 H new ATOM 0 HE1 PHE A 14 -4.488 2.871 13.816 1.00 40.25 H new ATOM 0 HE2 PHE A 14 -4.790 7.064 13.125 1.00 54.11 H new ATOM 0 HZ PHE A 14 -5.847 4.921 13.705 1.00 11.01 H new ATOM 238 N VAL A 15 1.729 5.510 9.907 1.00 1.13 N ATOM 239 CA VAL A 15 3.131 5.764 9.489 1.00 11.41 C ATOM 240 C VAL A 15 3.486 7.251 9.690 1.00 12.24 C ATOM 241 O VAL A 15 2.722 8.118 9.300 1.00 21.23 O ATOM 242 CB VAL A 15 3.345 5.371 7.973 1.00 72.15 C ATOM 243 CG1 VAL A 15 4.785 5.667 7.478 1.00 10.24 C ATOM 244 CG2 VAL A 15 2.981 3.889 7.735 1.00 61.40 C ATOM 0 H VAL A 15 1.038 5.890 9.260 1.00 1.13 H new ATOM 0 HA VAL A 15 3.785 5.149 10.107 1.00 11.41 H new ATOM 0 HB VAL A 15 2.673 5.998 7.387 1.00 72.15 H new ATOM 0 HG11 VAL A 15 4.876 5.378 6.431 1.00 10.24 H new ATOM 0 HG12 VAL A 15 4.993 6.732 7.580 1.00 10.24 H new ATOM 0 HG13 VAL A 15 5.499 5.099 8.075 1.00 10.24 H new ATOM 0 HG21 VAL A 15 3.136 3.640 6.685 1.00 61.40 H new ATOM 0 HG22 VAL A 15 3.614 3.255 8.355 1.00 61.40 H new ATOM 0 HG23 VAL A 15 1.936 3.725 7.996 1.00 61.40 H new ATOM 254 N HIS A 16 4.635 7.540 10.317 1.00 54.05 N ATOM 255 CA HIS A 16 5.187 8.908 10.366 1.00 72.21 C ATOM 256 C HIS A 16 6.090 9.150 9.135 1.00 13.32 C ATOM 257 O HIS A 16 6.977 8.339 8.839 1.00 32.21 O ATOM 258 CB HIS A 16 5.980 9.146 11.674 1.00 62.33 C ATOM 259 CG HIS A 16 6.662 10.491 11.733 1.00 74.25 C ATOM 260 ND1 HIS A 16 8.006 10.661 11.468 1.00 21.00 N ATOM 261 CD2 HIS A 16 6.179 11.732 11.993 1.00 2.21 C ATOM 262 CE1 HIS A 16 8.319 11.932 11.567 1.00 73.24 C ATOM 263 NE2 HIS A 16 7.232 12.602 11.880 1.00 52.11 N ATOM 0 H HIS A 16 5.204 6.845 10.800 1.00 54.05 H new ATOM 0 HA HIS A 16 4.358 9.615 10.348 1.00 72.21 H new ATOM 0 HB2 HIS A 16 5.301 9.055 12.522 1.00 62.33 H new ATOM 0 HB3 HIS A 16 6.730 8.363 11.781 1.00 62.33 H new ATOM 0 HD2 HIS A 16 5.159 11.986 12.242 1.00 2.21 H new ATOM 0 HE1 HIS A 16 9.301 12.355 11.417 1.00 73.24 H new ATOM 0 HE2 HIS A 16 7.180 13.611 12.017 1.00 52.11 H new ATOM 272 N ALA A 17 5.855 10.267 8.432 1.00 62.41 N ATOM 273 CA ALA A 17 6.679 10.698 7.285 1.00 12.32 C ATOM 274 C ALA A 17 7.352 12.058 7.564 1.00 25.41 C ATOM 275 O ALA A 17 6.809 12.902 8.285 1.00 15.14 O ATOM 276 CB ALA A 17 5.818 10.789 6.020 1.00 0.44 C ATOM 0 H ALA A 17 5.085 10.903 8.641 1.00 62.41 H new ATOM 0 HA ALA A 17 7.462 9.955 7.133 1.00 12.32 H new ATOM 0 HB1 ALA A 17 6.437 11.108 5.181 1.00 0.44 H new ATOM 0 HB2 ALA A 17 5.387 9.812 5.802 1.00 0.44 H new ATOM 0 HB3 ALA A 17 5.018 11.512 6.176 1.00 0.44 H new ATOM 282 N ILE A 18 8.546 12.239 6.992 1.00 32.44 N ATOM 283 CA ILE A 18 9.280 13.517 7.003 1.00 41.21 C ATOM 284 C ILE A 18 9.211 14.149 5.586 1.00 62.33 C ATOM 285 O ILE A 18 9.174 13.426 4.579 1.00 3.04 O ATOM 286 CB ILE A 18 10.784 13.289 7.447 1.00 32.30 C ATOM 287 CG1 ILE A 18 10.849 12.624 8.866 1.00 51.32 C ATOM 288 CG2 ILE A 18 11.611 14.604 7.408 1.00 52.02 C ATOM 289 CD1 ILE A 18 12.247 12.246 9.343 1.00 15.23 C ATOM 0 H ILE A 18 9.040 11.494 6.500 1.00 32.44 H new ATOM 0 HA ILE A 18 8.823 14.196 7.722 1.00 41.21 H new ATOM 0 HB ILE A 18 11.236 12.608 6.726 1.00 32.30 H new ATOM 0 HG12 ILE A 18 10.408 13.308 9.591 1.00 51.32 H new ATOM 0 HG13 ILE A 18 10.230 11.727 8.858 1.00 51.32 H new ATOM 0 HG21 ILE A 18 12.635 14.399 7.720 1.00 52.02 H new ATOM 0 HG22 ILE A 18 11.614 15.002 6.393 1.00 52.02 H new ATOM 0 HG23 ILE A 18 11.165 15.334 8.083 1.00 52.02 H new ATOM 0 HD11 ILE A 18 12.184 11.794 10.333 1.00 15.23 H new ATOM 0 HD12 ILE A 18 12.689 11.533 8.646 1.00 15.23 H new ATOM 0 HD13 ILE A 18 12.869 13.140 9.391 1.00 15.23 H new ATOM 301 N THR A 19 9.170 15.495 5.521 1.00 73.31 N ATOM 302 CA THR A 19 9.165 16.245 4.246 1.00 70.31 C ATOM 303 C THR A 19 10.478 16.011 3.453 1.00 0.55 C ATOM 304 O THR A 19 11.573 16.047 4.034 1.00 2.24 O ATOM 305 CB THR A 19 8.956 17.783 4.490 1.00 3.25 C ATOM 306 OG1 THR A 19 9.963 18.296 5.387 1.00 35.14 O ATOM 307 CG2 THR A 19 7.558 18.093 5.068 1.00 31.45 C ATOM 0 H THR A 19 9.139 16.092 6.347 1.00 73.31 H new ATOM 0 HA THR A 19 8.329 15.870 3.655 1.00 70.31 H new ATOM 0 HB THR A 19 9.042 18.271 3.519 1.00 3.25 H new ATOM 0 HG1 THR A 19 9.819 19.255 5.526 1.00 35.14 H new ATOM 0 HG21 THR A 19 7.458 19.168 5.221 1.00 31.45 H new ATOM 0 HG22 THR A 19 6.792 17.752 4.371 1.00 31.45 H new ATOM 0 HG23 THR A 19 7.436 17.578 6.021 1.00 31.45 H new ATOM 315 N SER A 20 10.336 15.747 2.135 1.00 74.34 N ATOM 316 CA SER A 20 11.459 15.436 1.205 1.00 35.01 C ATOM 317 C SER A 20 12.176 14.091 1.517 1.00 24.33 C ATOM 318 O SER A 20 13.252 13.823 0.972 1.00 63.35 O ATOM 319 CB SER A 20 12.485 16.605 1.127 1.00 21.42 C ATOM 320 OG SER A 20 11.895 17.786 0.594 1.00 22.32 O ATOM 0 H SER A 20 9.426 15.742 1.674 1.00 74.34 H new ATOM 0 HA SER A 20 10.996 15.316 0.226 1.00 35.01 H new ATOM 0 HB2 SER A 20 12.878 16.812 2.122 1.00 21.42 H new ATOM 0 HB3 SER A 20 13.330 16.307 0.506 1.00 21.42 H new ATOM 0 HG SER A 20 12.565 18.500 0.560 1.00 22.32 H new ATOM 326 N GLU A 21 11.552 13.225 2.341 1.00 32.15 N ATOM 327 CA GLU A 21 12.136 11.913 2.737 1.00 43.42 C ATOM 328 C GLU A 21 11.372 10.755 2.039 1.00 21.13 C ATOM 329 O GLU A 21 10.162 10.849 1.808 1.00 32.01 O ATOM 330 CB GLU A 21 12.102 11.777 4.299 1.00 23.33 C ATOM 331 CG GLU A 21 13.304 11.051 4.955 1.00 35.13 C ATOM 332 CD GLU A 21 13.468 9.582 4.526 1.00 74.31 C ATOM 333 OE1 GLU A 21 12.672 8.733 4.978 1.00 51.10 O ATOM 334 OE2 GLU A 21 14.386 9.270 3.726 1.00 4.54 O ATOM 0 H GLU A 21 10.636 13.407 2.752 1.00 32.15 H new ATOM 0 HA GLU A 21 13.176 11.857 2.415 1.00 43.42 H new ATOM 0 HB2 GLU A 21 12.032 12.777 4.727 1.00 23.33 H new ATOM 0 HB3 GLU A 21 11.191 11.247 4.576 1.00 23.33 H new ATOM 0 HG2 GLU A 21 14.218 11.593 4.711 1.00 35.13 H new ATOM 0 HG3 GLU A 21 13.190 11.090 6.038 1.00 35.13 H new ATOM 341 N CYS A 22 12.098 9.665 1.708 1.00 30.32 N ATOM 342 CA CYS A 22 11.538 8.496 0.994 1.00 20.42 C ATOM 343 C CYS A 22 10.618 7.635 1.896 1.00 0.55 C ATOM 344 O CYS A 22 11.039 7.156 2.953 1.00 22.35 O ATOM 345 CB CYS A 22 12.681 7.620 0.426 1.00 64.13 C ATOM 346 SG CYS A 22 13.754 6.892 1.687 1.00 14.13 S ATOM 0 H CYS A 22 13.089 9.571 1.928 1.00 30.32 H new ATOM 0 HA CYS A 22 10.927 8.883 0.179 1.00 20.42 H new ATOM 0 HB2 CYS A 22 12.247 6.819 -0.172 1.00 64.13 H new ATOM 0 HB3 CYS A 22 13.288 8.226 -0.246 1.00 64.13 H new ATOM 0 HG CYS A 22 14.066 7.797 2.566 1.00 14.13 H new ATOM 352 N VAL A 23 9.352 7.443 1.462 1.00 52.13 N ATOM 353 CA VAL A 23 8.348 6.618 2.184 1.00 41.22 C ATOM 354 C VAL A 23 7.844 5.450 1.292 1.00 22.44 C ATOM 355 O VAL A 23 7.355 5.668 0.181 1.00 52.01 O ATOM 356 CB VAL A 23 7.128 7.491 2.680 1.00 22.30 C ATOM 357 CG1 VAL A 23 6.071 6.639 3.430 1.00 3.20 C ATOM 358 CG2 VAL A 23 7.619 8.666 3.565 1.00 41.13 C ATOM 0 H VAL A 23 8.994 7.855 0.600 1.00 52.13 H new ATOM 0 HA VAL A 23 8.843 6.200 3.061 1.00 41.22 H new ATOM 0 HB VAL A 23 6.641 7.902 1.796 1.00 22.30 H new ATOM 0 HG11 VAL A 23 5.250 7.279 3.753 1.00 3.20 H new ATOM 0 HG12 VAL A 23 5.688 5.866 2.764 1.00 3.20 H new ATOM 0 HG13 VAL A 23 6.531 6.172 4.301 1.00 3.20 H new ATOM 0 HG21 VAL A 23 6.763 9.255 3.896 1.00 41.13 H new ATOM 0 HG22 VAL A 23 8.146 8.272 4.434 1.00 41.13 H new ATOM 0 HG23 VAL A 23 8.293 9.299 2.988 1.00 41.13 H new ATOM 368 N MET A 24 7.994 4.207 1.793 1.00 23.52 N ATOM 369 CA MET A 24 7.504 2.980 1.126 1.00 3.20 C ATOM 370 C MET A 24 6.286 2.406 1.886 1.00 11.20 C ATOM 371 O MET A 24 6.438 1.808 2.957 1.00 24.25 O ATOM 372 CB MET A 24 8.642 1.921 1.055 1.00 50.11 C ATOM 373 CG MET A 24 9.781 2.272 0.092 1.00 41.32 C ATOM 374 SD MET A 24 11.194 1.150 0.237 1.00 33.34 S ATOM 375 CE MET A 24 10.447 -0.434 -0.145 1.00 62.01 C ATOM 0 H MET A 24 8.463 4.023 2.680 1.00 23.52 H new ATOM 0 HA MET A 24 7.193 3.232 0.112 1.00 3.20 H new ATOM 0 HB2 MET A 24 9.057 1.785 2.054 1.00 50.11 H new ATOM 0 HB3 MET A 24 8.213 0.965 0.756 1.00 50.11 H new ATOM 0 HG2 MET A 24 9.406 2.246 -0.931 1.00 41.32 H new ATOM 0 HG3 MET A 24 10.112 3.292 0.285 1.00 41.32 H new ATOM 0 HE1 MET A 24 11.229 -1.177 -0.302 1.00 62.01 H new ATOM 0 HE2 MET A 24 9.812 -0.746 0.684 1.00 62.01 H new ATOM 0 HE3 MET A 24 9.845 -0.344 -1.049 1.00 62.01 H new ATOM 385 N LEU A 25 5.079 2.636 1.354 1.00 25.44 N ATOM 386 CA LEU A 25 3.836 2.028 1.874 1.00 43.43 C ATOM 387 C LEU A 25 3.568 0.694 1.139 1.00 54.30 C ATOM 388 O LEU A 25 3.755 0.620 -0.073 1.00 70.44 O ATOM 389 CB LEU A 25 2.655 3.008 1.681 1.00 42.10 C ATOM 390 CG LEU A 25 2.848 4.431 2.290 1.00 14.20 C ATOM 391 CD1 LEU A 25 1.620 5.316 2.013 1.00 42.04 C ATOM 392 CD2 LEU A 25 3.170 4.362 3.806 1.00 24.32 C ATOM 0 H LEU A 25 4.931 3.248 0.551 1.00 25.44 H new ATOM 0 HA LEU A 25 3.943 1.824 2.939 1.00 43.43 H new ATOM 0 HB2 LEU A 25 2.465 3.113 0.613 1.00 42.10 H new ATOM 0 HB3 LEU A 25 1.762 2.563 2.121 1.00 42.10 H new ATOM 0 HG LEU A 25 3.707 4.890 1.801 1.00 14.20 H new ATOM 0 HD11 LEU A 25 1.778 6.303 2.447 1.00 42.04 H new ATOM 0 HD12 LEU A 25 1.476 5.412 0.937 1.00 42.04 H new ATOM 0 HD13 LEU A 25 0.735 4.861 2.459 1.00 42.04 H new ATOM 0 HD21 LEU A 25 3.298 5.371 4.197 1.00 24.32 H new ATOM 0 HD22 LEU A 25 2.350 3.871 4.330 1.00 24.32 H new ATOM 0 HD23 LEU A 25 4.088 3.795 3.957 1.00 24.32 H new ATOM 404 N ALA A 26 3.124 -0.350 1.865 1.00 52.24 N ATOM 405 CA ALA A 26 2.950 -1.710 1.289 1.00 74.40 C ATOM 406 C ALA A 26 1.604 -2.358 1.696 1.00 32.42 C ATOM 407 O ALA A 26 1.263 -2.410 2.880 1.00 41.22 O ATOM 408 CB ALA A 26 4.125 -2.602 1.721 1.00 44.42 C ATOM 0 H ALA A 26 2.877 -0.284 2.853 1.00 52.24 H new ATOM 0 HA ALA A 26 2.936 -1.612 0.204 1.00 74.40 H new ATOM 0 HB1 ALA A 26 3.999 -3.599 1.300 1.00 44.42 H new ATOM 0 HB2 ALA A 26 5.060 -2.172 1.362 1.00 44.42 H new ATOM 0 HB3 ALA A 26 4.151 -2.668 2.809 1.00 44.42 H new ATOM 414 N CYS A 27 0.847 -2.838 0.688 1.00 23.33 N ATOM 415 CA CYS A 27 -0.383 -3.645 0.884 1.00 32.31 C ATOM 416 C CYS A 27 -0.408 -4.819 -0.108 1.00 72.03 C ATOM 417 O CYS A 27 -0.494 -4.616 -1.314 1.00 75.13 O ATOM 418 CB CYS A 27 -1.643 -2.773 0.698 1.00 62.43 C ATOM 419 SG CYS A 27 -1.792 -1.458 1.914 1.00 51.00 S ATOM 0 H CYS A 27 1.071 -2.677 -0.294 1.00 23.33 H new ATOM 0 HA CYS A 27 -0.379 -4.036 1.901 1.00 32.31 H new ATOM 0 HB2 CYS A 27 -1.627 -2.334 -0.300 1.00 62.43 H new ATOM 0 HB3 CYS A 27 -2.526 -3.409 0.753 1.00 62.43 H new ATOM 0 HG CYS A 27 -2.435 -0.456 1.393 1.00 51.00 H new ATOM 425 N GLU A 28 -0.347 -6.044 0.417 1.00 21.03 N ATOM 426 CA GLU A 28 -0.308 -7.284 -0.381 1.00 51.52 C ATOM 427 C GLU A 28 -1.488 -8.212 -0.012 1.00 41.15 C ATOM 428 O GLU A 28 -1.735 -8.510 1.164 1.00 0.53 O ATOM 429 CB GLU A 28 1.062 -7.982 -0.163 1.00 44.13 C ATOM 430 CG GLU A 28 2.269 -7.114 -0.602 1.00 1.14 C ATOM 431 CD GLU A 28 3.665 -7.643 -0.216 1.00 4.34 C ATOM 432 OE1 GLU A 28 3.776 -8.616 0.560 1.00 42.33 O ATOM 433 OE2 GLU A 28 4.668 -7.059 -0.684 1.00 61.22 O ATOM 0 H GLU A 28 -0.323 -6.212 1.423 1.00 21.03 H new ATOM 0 HA GLU A 28 -0.414 -7.044 -1.439 1.00 51.52 H new ATOM 0 HB2 GLU A 28 1.170 -8.235 0.892 1.00 44.13 H new ATOM 0 HB3 GLU A 28 1.077 -8.920 -0.718 1.00 44.13 H new ATOM 0 HG2 GLU A 28 2.233 -7.001 -1.686 1.00 1.14 H new ATOM 0 HG3 GLU A 28 2.149 -6.119 -0.173 1.00 1.14 H new ATOM 440 N VAL A 29 -2.208 -8.664 -1.045 1.00 50.23 N ATOM 441 CA VAL A 29 -3.439 -9.469 -0.908 1.00 23.12 C ATOM 442 C VAL A 29 -3.151 -10.986 -0.867 1.00 14.21 C ATOM 443 O VAL A 29 -2.036 -11.435 -1.129 1.00 2.44 O ATOM 444 CB VAL A 29 -4.428 -9.152 -2.095 1.00 43.12 C ATOM 445 CG1 VAL A 29 -4.935 -7.702 -2.018 1.00 0.24 C ATOM 446 CG2 VAL A 29 -3.759 -9.417 -3.460 1.00 43.31 C ATOM 0 H VAL A 29 -1.953 -8.481 -2.016 1.00 50.23 H new ATOM 0 HA VAL A 29 -3.895 -9.195 0.043 1.00 23.12 H new ATOM 0 HB VAL A 29 -5.284 -9.820 -1.999 1.00 43.12 H new ATOM 0 HG11 VAL A 29 -5.615 -7.510 -2.848 1.00 0.24 H new ATOM 0 HG12 VAL A 29 -5.461 -7.550 -1.075 1.00 0.24 H new ATOM 0 HG13 VAL A 29 -4.089 -7.017 -2.076 1.00 0.24 H new ATOM 0 HG21 VAL A 29 -4.463 -9.190 -4.260 1.00 43.31 H new ATOM 0 HG22 VAL A 29 -2.877 -8.784 -3.562 1.00 43.31 H new ATOM 0 HG23 VAL A 29 -3.463 -10.464 -3.523 1.00 43.31 H new ATOM 456 N ASP A 30 -4.192 -11.750 -0.516 1.00 61.12 N ATOM 457 CA ASP A 30 -4.182 -13.229 -0.514 1.00 43.04 C ATOM 458 C ASP A 30 -4.454 -13.795 -1.927 1.00 64.24 C ATOM 459 O ASP A 30 -4.014 -14.902 -2.263 1.00 64.40 O ATOM 460 CB ASP A 30 -5.255 -13.748 0.484 1.00 33.35 C ATOM 461 CG ASP A 30 -5.288 -15.284 0.615 1.00 75.30 C ATOM 462 OD1 ASP A 30 -4.231 -15.884 0.914 1.00 21.12 O ATOM 463 OD2 ASP A 30 -6.364 -15.894 0.434 1.00 64.25 O ATOM 0 H ASP A 30 -5.085 -11.356 -0.219 1.00 61.12 H new ATOM 0 HA ASP A 30 -3.194 -13.569 -0.205 1.00 43.04 H new ATOM 0 HB2 ASP A 30 -5.067 -13.312 1.465 1.00 33.35 H new ATOM 0 HB3 ASP A 30 -6.236 -13.398 0.163 1.00 33.35 H new ATOM 468 N ARG A 31 -5.182 -13.018 -2.750 1.00 75.42 N ATOM 469 CA ARG A 31 -5.648 -13.460 -4.076 1.00 11.41 C ATOM 470 C ARG A 31 -5.042 -12.583 -5.196 1.00 74.34 C ATOM 471 O ARG A 31 -5.382 -11.403 -5.322 1.00 50.10 O ATOM 472 CB ARG A 31 -7.193 -13.414 -4.119 1.00 45.14 C ATOM 473 CG ARG A 31 -7.803 -13.971 -5.418 1.00 73.24 C ATOM 474 CD ARG A 31 -9.330 -13.914 -5.425 1.00 30.15 C ATOM 475 NE ARG A 31 -9.893 -14.443 -6.678 1.00 15.32 N ATOM 476 CZ ARG A 31 -11.173 -14.513 -6.959 1.00 42.01 C ATOM 477 NH1 ARG A 31 -12.063 -14.163 -6.093 1.00 2.02 N ATOM 478 NH2 ARG A 31 -11.559 -14.954 -8.106 1.00 21.32 N ATOM 0 H ARG A 31 -5.463 -12.066 -2.514 1.00 75.42 H new ATOM 0 HA ARG A 31 -5.316 -14.484 -4.245 1.00 11.41 H new ATOM 0 HB2 ARG A 31 -7.586 -13.979 -3.274 1.00 45.14 H new ATOM 0 HB3 ARG A 31 -7.519 -12.382 -3.991 1.00 45.14 H new ATOM 0 HG2 ARG A 31 -7.419 -13.405 -6.267 1.00 73.24 H new ATOM 0 HG3 ARG A 31 -7.482 -15.004 -5.552 1.00 73.24 H new ATOM 0 HD2 ARG A 31 -9.719 -14.486 -4.582 1.00 30.15 H new ATOM 0 HD3 ARG A 31 -9.656 -12.883 -5.288 1.00 30.15 H new ATOM 0 HE ARG A 31 -9.237 -14.781 -7.382 1.00 15.32 H new ATOM 0 HH11 ARG A 31 -11.776 -13.826 -5.174 1.00 2.02 H new ATOM 0 HH12 ARG A 31 -13.054 -14.223 -6.327 1.00 2.02 H new ATOM 0 HH21 ARG A 31 -10.869 -15.249 -8.797 1.00 21.32 H new ATOM 0 HH22 ARG A 31 -12.554 -15.008 -8.323 1.00 21.32 H new ATOM 492 N GLU A 32 -4.170 -13.193 -6.016 1.00 21.23 N ATOM 493 CA GLU A 32 -3.439 -12.516 -7.122 1.00 22.11 C ATOM 494 C GLU A 32 -4.382 -11.896 -8.196 1.00 13.42 C ATOM 495 O GLU A 32 -3.991 -10.955 -8.903 1.00 4.03 O ATOM 496 CB GLU A 32 -2.472 -13.544 -7.772 1.00 63.35 C ATOM 497 CG GLU A 32 -3.176 -14.770 -8.403 1.00 31.42 C ATOM 498 CD GLU A 32 -2.195 -15.857 -8.866 1.00 21.25 C ATOM 499 OE1 GLU A 32 -1.675 -15.761 -9.999 1.00 31.22 O ATOM 500 OE2 GLU A 32 -1.925 -16.801 -8.095 1.00 4.43 O ATOM 0 H GLU A 32 -3.944 -14.184 -5.935 1.00 21.23 H new ATOM 0 HA GLU A 32 -2.886 -11.678 -6.697 1.00 22.11 H new ATOM 0 HB2 GLU A 32 -1.888 -13.039 -8.541 1.00 63.35 H new ATOM 0 HB3 GLU A 32 -1.769 -13.893 -7.015 1.00 63.35 H new ATOM 0 HG2 GLU A 32 -3.867 -15.198 -7.677 1.00 31.42 H new ATOM 0 HG3 GLU A 32 -3.772 -14.441 -9.254 1.00 31.42 H new ATOM 507 N ASP A 33 -5.604 -12.455 -8.314 1.00 4.21 N ATOM 508 CA ASP A 33 -6.656 -11.978 -9.249 1.00 2.31 C ATOM 509 C ASP A 33 -7.090 -10.521 -8.957 1.00 21.55 C ATOM 510 O ASP A 33 -7.372 -9.747 -9.881 1.00 25.21 O ATOM 511 CB ASP A 33 -7.896 -12.905 -9.168 1.00 31.21 C ATOM 512 CG ASP A 33 -7.561 -14.374 -9.445 1.00 30.04 C ATOM 513 OD1 ASP A 33 -7.032 -15.047 -8.534 1.00 1.24 O ATOM 514 OD2 ASP A 33 -7.842 -14.866 -10.556 1.00 2.23 O ATOM 0 H ASP A 33 -5.896 -13.259 -7.759 1.00 4.21 H new ATOM 0 HA ASP A 33 -6.227 -12.004 -10.251 1.00 2.31 H new ATOM 0 HB2 ASP A 33 -8.343 -12.820 -8.177 1.00 31.21 H new ATOM 0 HB3 ASP A 33 -8.644 -12.567 -9.885 1.00 31.21 H new ATOM 519 N ALA A 34 -7.123 -10.155 -7.662 1.00 34.14 N ATOM 520 CA ALA A 34 -7.599 -8.835 -7.204 1.00 34.22 C ATOM 521 C ALA A 34 -6.513 -8.113 -6.357 1.00 33.54 C ATOM 522 O ALA A 34 -6.485 -8.255 -5.128 1.00 50.03 O ATOM 523 CB ALA A 34 -8.919 -9.002 -6.425 1.00 10.22 C ATOM 0 H ALA A 34 -6.820 -10.766 -6.903 1.00 34.14 H new ATOM 0 HA ALA A 34 -7.792 -8.204 -8.071 1.00 34.22 H new ATOM 0 HB1 ALA A 34 -9.268 -8.026 -6.088 1.00 10.22 H new ATOM 0 HB2 ALA A 34 -9.670 -9.452 -7.074 1.00 10.22 H new ATOM 0 HB3 ALA A 34 -8.753 -9.646 -5.561 1.00 10.22 H new ATOM 529 N PRO A 35 -5.562 -7.355 -7.016 1.00 52.11 N ATOM 530 CA PRO A 35 -4.564 -6.510 -6.310 1.00 45.21 C ATOM 531 C PRO A 35 -5.199 -5.203 -5.756 1.00 32.23 C ATOM 532 O PRO A 35 -6.337 -4.859 -6.105 1.00 73.54 O ATOM 533 CB PRO A 35 -3.487 -6.221 -7.408 1.00 20.50 C ATOM 534 CG PRO A 35 -3.882 -7.059 -8.600 1.00 4.44 C ATOM 535 CD PRO A 35 -5.371 -7.266 -8.482 1.00 11.33 C ATOM 0 HA PRO A 35 -4.144 -6.999 -5.431 1.00 45.21 H new ATOM 0 HB2 PRO A 35 -3.464 -5.162 -7.665 1.00 20.50 H new ATOM 0 HB3 PRO A 35 -2.490 -6.485 -7.057 1.00 20.50 H new ATOM 0 HG2 PRO A 35 -3.630 -6.555 -9.533 1.00 4.44 H new ATOM 0 HG3 PRO A 35 -3.354 -8.012 -8.600 1.00 4.44 H new ATOM 0 HD2 PRO A 35 -5.932 -6.438 -8.916 1.00 11.33 H new ATOM 0 HD3 PRO A 35 -5.697 -8.173 -8.990 1.00 11.33 H new ATOM 543 N VAL A 36 -4.457 -4.468 -4.902 1.00 23.45 N ATOM 544 CA VAL A 36 -5.011 -3.275 -4.210 1.00 41.24 C ATOM 545 C VAL A 36 -4.998 -2.027 -5.129 1.00 13.23 C ATOM 546 O VAL A 36 -4.150 -1.891 -6.027 1.00 51.34 O ATOM 547 CB VAL A 36 -4.271 -2.958 -2.836 1.00 2.22 C ATOM 548 CG1 VAL A 36 -3.873 -4.259 -2.106 1.00 72.42 C ATOM 549 CG2 VAL A 36 -3.049 -2.014 -3.000 1.00 13.23 C ATOM 0 H VAL A 36 -3.484 -4.672 -4.674 1.00 23.45 H new ATOM 0 HA VAL A 36 -6.045 -3.522 -3.971 1.00 41.24 H new ATOM 0 HB VAL A 36 -4.991 -2.419 -2.220 1.00 2.22 H new ATOM 0 HG11 VAL A 36 -3.370 -4.012 -1.171 1.00 72.42 H new ATOM 0 HG12 VAL A 36 -4.767 -4.845 -1.893 1.00 72.42 H new ATOM 0 HG13 VAL A 36 -3.201 -4.840 -2.738 1.00 72.42 H new ATOM 0 HG21 VAL A 36 -2.591 -1.839 -2.026 1.00 13.23 H new ATOM 0 HG22 VAL A 36 -2.320 -2.475 -3.666 1.00 13.23 H new ATOM 0 HG23 VAL A 36 -3.377 -1.064 -3.422 1.00 13.23 H new ATOM 559 N ARG A 37 -5.956 -1.133 -4.879 1.00 10.41 N ATOM 560 CA ARG A 37 -6.053 0.186 -5.523 1.00 52.22 C ATOM 561 C ARG A 37 -5.719 1.257 -4.469 1.00 23.44 C ATOM 562 O ARG A 37 -6.401 1.338 -3.446 1.00 21.11 O ATOM 563 CB ARG A 37 -7.493 0.409 -6.058 1.00 13.31 C ATOM 564 CG ARG A 37 -8.021 -0.720 -6.965 1.00 31.43 C ATOM 565 CD ARG A 37 -9.534 -0.614 -7.233 1.00 55.21 C ATOM 566 NE ARG A 37 -10.041 -1.800 -7.943 1.00 52.33 N ATOM 567 CZ ARG A 37 -11.308 -2.083 -8.166 1.00 2.22 C ATOM 568 NH1 ARG A 37 -12.267 -1.309 -7.751 1.00 52.21 N ATOM 569 NH2 ARG A 37 -11.603 -3.154 -8.810 1.00 73.01 N ATOM 0 H ARG A 37 -6.705 -1.306 -4.209 1.00 10.41 H new ATOM 0 HA ARG A 37 -5.359 0.248 -6.361 1.00 52.22 H new ATOM 0 HB2 ARG A 37 -8.168 0.522 -5.210 1.00 13.31 H new ATOM 0 HB3 ARG A 37 -7.519 1.346 -6.614 1.00 13.31 H new ATOM 0 HG2 ARG A 37 -7.486 -0.697 -7.915 1.00 31.43 H new ATOM 0 HG3 ARG A 37 -7.806 -1.683 -6.501 1.00 31.43 H new ATOM 0 HD2 ARG A 37 -10.065 -0.500 -6.288 1.00 55.21 H new ATOM 0 HD3 ARG A 37 -9.738 0.279 -7.823 1.00 55.21 H new ATOM 0 HE ARG A 37 -9.349 -2.462 -8.294 1.00 52.33 H new ATOM 0 HH11 ARG A 37 -12.047 -0.456 -7.237 1.00 52.21 H new ATOM 0 HH12 ARG A 37 -13.239 -1.555 -7.939 1.00 52.21 H new ATOM 0 HH21 ARG A 37 -10.861 -3.771 -9.141 1.00 73.01 H new ATOM 0 HH22 ARG A 37 -12.579 -3.388 -8.991 1.00 73.01 H new ATOM 583 N TRP A 38 -4.694 2.073 -4.717 1.00 42.02 N ATOM 584 CA TRP A 38 -4.267 3.117 -3.765 1.00 60.12 C ATOM 585 C TRP A 38 -5.116 4.391 -3.975 1.00 1.15 C ATOM 586 O TRP A 38 -5.383 4.772 -5.111 1.00 12.35 O ATOM 587 CB TRP A 38 -2.751 3.426 -3.949 1.00 53.03 C ATOM 588 CG TRP A 38 -1.834 2.298 -3.521 1.00 24.04 C ATOM 589 CD1 TRP A 38 -1.375 1.254 -4.280 1.00 71.03 C ATOM 590 CD2 TRP A 38 -1.278 2.114 -2.211 1.00 72.41 C ATOM 591 NE1 TRP A 38 -0.573 0.437 -3.519 1.00 32.31 N ATOM 592 CE2 TRP A 38 -0.498 0.943 -2.245 1.00 14.43 C ATOM 593 CE3 TRP A 38 -1.364 2.837 -1.016 1.00 51.11 C ATOM 594 CZ2 TRP A 38 0.181 0.469 -1.125 1.00 22.14 C ATOM 595 CZ3 TRP A 38 -0.688 2.371 0.094 1.00 45.23 C ATOM 596 CH2 TRP A 38 0.077 1.194 0.033 1.00 52.20 C ATOM 0 H TRP A 38 -4.137 2.036 -5.571 1.00 42.02 H new ATOM 0 HA TRP A 38 -4.419 2.760 -2.747 1.00 60.12 H new ATOM 0 HB2 TRP A 38 -2.562 3.655 -4.998 1.00 53.03 H new ATOM 0 HB3 TRP A 38 -2.501 4.320 -3.377 1.00 53.03 H new ATOM 0 HD1 TRP A 38 -1.609 1.096 -5.323 1.00 71.03 H new ATOM 0 HE1 TRP A 38 -0.108 -0.409 -3.848 1.00 32.31 H new ATOM 0 HE3 TRP A 38 -1.949 3.743 -0.963 1.00 51.11 H new ATOM 0 HZ2 TRP A 38 0.768 -0.437 -1.168 1.00 22.14 H new ATOM 0 HZ3 TRP A 38 -0.748 2.919 1.023 1.00 45.23 H new ATOM 0 HH2 TRP A 38 0.594 0.853 0.918 1.00 52.20 H new ATOM 607 N TYR A 39 -5.598 4.996 -2.873 1.00 32.10 N ATOM 608 CA TYR A 39 -6.365 6.270 -2.896 1.00 71.43 C ATOM 609 C TYR A 39 -5.776 7.260 -1.869 1.00 1.00 C ATOM 610 O TYR A 39 -5.636 6.921 -0.703 1.00 14.40 O ATOM 611 CB TYR A 39 -7.869 6.020 -2.584 1.00 23.11 C ATOM 612 CG TYR A 39 -8.601 5.130 -3.600 1.00 32.11 C ATOM 613 CD1 TYR A 39 -9.223 5.674 -4.727 1.00 24.53 C ATOM 614 CD2 TYR A 39 -8.658 3.743 -3.440 1.00 21.31 C ATOM 615 CE1 TYR A 39 -9.870 4.869 -5.648 1.00 60.21 C ATOM 616 CE2 TYR A 39 -9.299 2.942 -4.362 1.00 35.34 C ATOM 617 CZ TYR A 39 -9.902 3.508 -5.462 1.00 10.22 C ATOM 618 OH TYR A 39 -10.527 2.708 -6.393 1.00 55.24 O ATOM 0 H TYR A 39 -5.469 4.618 -1.934 1.00 32.10 H new ATOM 0 HA TYR A 39 -6.287 6.696 -3.896 1.00 71.43 H new ATOM 0 HB2 TYR A 39 -7.949 5.563 -1.598 1.00 23.11 H new ATOM 0 HB3 TYR A 39 -8.379 6.982 -2.532 1.00 23.11 H new ATOM 0 HD1 TYR A 39 -9.198 6.743 -4.882 1.00 24.53 H new ATOM 0 HD2 TYR A 39 -8.191 3.290 -2.578 1.00 21.31 H new ATOM 0 HE1 TYR A 39 -10.348 5.309 -6.510 1.00 60.21 H new ATOM 0 HE2 TYR A 39 -9.328 1.872 -4.221 1.00 35.34 H new ATOM 0 HH TYR A 39 -10.079 2.804 -7.260 1.00 55.24 H new ATOM 628 N LYS A 40 -5.459 8.484 -2.311 1.00 55.22 N ATOM 629 CA LYS A 40 -4.906 9.553 -1.455 1.00 23.20 C ATOM 630 C LYS A 40 -6.012 10.616 -1.208 1.00 63.21 C ATOM 631 O LYS A 40 -6.344 11.381 -2.125 1.00 64.03 O ATOM 632 CB LYS A 40 -3.640 10.159 -2.157 1.00 52.30 C ATOM 633 CG LYS A 40 -2.678 10.986 -1.262 1.00 43.34 C ATOM 634 CD LYS A 40 -3.235 12.358 -0.844 1.00 22.32 C ATOM 635 CE LYS A 40 -2.319 13.105 0.121 1.00 21.14 C ATOM 636 NZ LYS A 40 -2.986 14.294 0.693 1.00 62.13 N ATOM 0 H LYS A 40 -5.579 8.768 -3.283 1.00 55.22 H new ATOM 0 HA LYS A 40 -4.594 9.166 -0.485 1.00 23.20 H new ATOM 0 HB2 LYS A 40 -3.073 9.341 -2.602 1.00 52.30 H new ATOM 0 HB3 LYS A 40 -3.976 10.796 -2.975 1.00 52.30 H new ATOM 0 HG2 LYS A 40 -2.448 10.410 -0.365 1.00 43.34 H new ATOM 0 HG3 LYS A 40 -1.739 11.134 -1.796 1.00 43.34 H new ATOM 0 HD2 LYS A 40 -3.390 12.967 -1.734 1.00 22.32 H new ATOM 0 HD3 LYS A 40 -4.211 12.221 -0.378 1.00 22.32 H new ATOM 0 HE2 LYS A 40 -2.014 12.436 0.926 1.00 21.14 H new ATOM 0 HE3 LYS A 40 -1.412 13.411 -0.400 1.00 21.14 H new ATOM 0 HZ1 LYS A 40 -2.507 15.155 0.360 1.00 62.13 H new ATOM 0 HZ2 LYS A 40 -3.981 14.313 0.391 1.00 62.13 H new ATOM 0 HZ3 LYS A 40 -2.940 14.252 1.731 1.00 62.13 H new ATOM 650 N ASP A 41 -6.586 10.623 0.023 1.00 54.15 N ATOM 651 CA ASP A 41 -7.643 11.590 0.461 1.00 21.42 C ATOM 652 C ASP A 41 -8.886 11.633 -0.483 1.00 14.51 C ATOM 653 O ASP A 41 -9.673 12.589 -0.458 1.00 25.32 O ATOM 654 CB ASP A 41 -7.021 13.011 0.672 1.00 54.44 C ATOM 655 CG ASP A 41 -6.096 13.089 1.906 1.00 54.13 C ATOM 656 OD1 ASP A 41 -5.082 12.355 1.962 1.00 41.11 O ATOM 657 OD2 ASP A 41 -6.362 13.903 2.812 1.00 23.42 O ATOM 0 H ASP A 41 -6.330 9.955 0.750 1.00 54.15 H new ATOM 0 HA ASP A 41 -8.027 11.227 1.415 1.00 21.42 H new ATOM 0 HB2 ASP A 41 -6.455 13.289 -0.217 1.00 54.44 H new ATOM 0 HB3 ASP A 41 -7.824 13.740 0.780 1.00 54.44 H new ATOM 662 N GLY A 42 -9.079 10.560 -1.275 1.00 32.01 N ATOM 663 CA GLY A 42 -10.184 10.464 -2.241 1.00 14.15 C ATOM 664 C GLY A 42 -9.728 10.050 -3.642 1.00 64.24 C ATOM 665 O GLY A 42 -10.286 9.118 -4.240 1.00 73.02 O ATOM 0 H GLY A 42 -8.474 9.739 -1.261 1.00 32.01 H new ATOM 0 HA2 GLY A 42 -10.915 9.742 -1.876 1.00 14.15 H new ATOM 0 HA3 GLY A 42 -10.690 11.428 -2.301 1.00 14.15 H new ATOM 669 N GLN A 43 -8.691 10.732 -4.160 1.00 4.05 N ATOM 670 CA GLN A 43 -8.225 10.560 -5.559 1.00 31.03 C ATOM 671 C GLN A 43 -7.424 9.253 -5.730 1.00 64.13 C ATOM 672 O GLN A 43 -6.559 8.960 -4.908 1.00 3.20 O ATOM 673 CB GLN A 43 -7.339 11.765 -5.981 1.00 3.22 C ATOM 674 CG GLN A 43 -8.033 13.137 -5.886 1.00 73.33 C ATOM 675 CD GLN A 43 -7.182 14.299 -6.415 1.00 4.24 C ATOM 676 OE1 GLN A 43 -5.956 14.274 -6.365 1.00 55.21 O ATOM 677 NE2 GLN A 43 -7.832 15.327 -6.932 1.00 73.54 N ATOM 0 H GLN A 43 -8.151 11.415 -3.629 1.00 4.05 H new ATOM 0 HA GLN A 43 -9.108 10.510 -6.196 1.00 31.03 H new ATOM 0 HB2 GLN A 43 -6.447 11.780 -5.355 1.00 3.22 H new ATOM 0 HB3 GLN A 43 -7.005 11.612 -7.007 1.00 3.22 H new ATOM 0 HG2 GLN A 43 -8.968 13.100 -6.445 1.00 73.33 H new ATOM 0 HG3 GLN A 43 -8.291 13.332 -4.845 1.00 73.33 H new ATOM 0 HE21 GLN A 43 -8.852 15.323 -6.962 1.00 73.54 H new ATOM 0 HE22 GLN A 43 -7.314 16.124 -7.301 1.00 73.54 H new ATOM 686 N GLU A 44 -7.706 8.482 -6.798 1.00 52.30 N ATOM 687 CA GLU A 44 -6.968 7.237 -7.090 1.00 74.24 C ATOM 688 C GLU A 44 -5.517 7.549 -7.514 1.00 20.40 C ATOM 689 O GLU A 44 -5.282 8.299 -8.469 1.00 64.21 O ATOM 690 CB GLU A 44 -7.684 6.393 -8.176 1.00 51.31 C ATOM 691 CG GLU A 44 -7.079 4.983 -8.381 1.00 44.35 C ATOM 692 CD GLU A 44 -7.887 4.105 -9.348 1.00 12.22 C ATOM 693 OE1 GLU A 44 -8.814 3.391 -8.902 1.00 0.43 O ATOM 694 OE2 GLU A 44 -7.606 4.129 -10.563 1.00 71.22 O ATOM 0 H GLU A 44 -8.439 8.699 -7.473 1.00 52.30 H new ATOM 0 HA GLU A 44 -6.943 6.647 -6.174 1.00 74.24 H new ATOM 0 HB2 GLU A 44 -8.735 6.290 -7.907 1.00 51.31 H new ATOM 0 HB3 GLU A 44 -7.649 6.933 -9.122 1.00 51.31 H new ATOM 0 HG2 GLU A 44 -6.061 5.084 -8.758 1.00 44.35 H new ATOM 0 HG3 GLU A 44 -7.013 4.481 -7.416 1.00 44.35 H new ATOM 701 N VAL A 45 -4.563 6.968 -6.782 1.00 60.32 N ATOM 702 CA VAL A 45 -3.127 7.193 -6.981 1.00 53.55 C ATOM 703 C VAL A 45 -2.611 6.443 -8.233 1.00 73.43 C ATOM 704 O VAL A 45 -2.849 5.237 -8.393 1.00 44.40 O ATOM 705 CB VAL A 45 -2.306 6.737 -5.721 1.00 42.44 C ATOM 706 CG1 VAL A 45 -0.793 6.989 -5.899 1.00 41.25 C ATOM 707 CG2 VAL A 45 -2.834 7.401 -4.429 1.00 34.41 C ATOM 0 H VAL A 45 -4.768 6.318 -6.023 1.00 60.32 H new ATOM 0 HA VAL A 45 -2.985 8.263 -7.129 1.00 53.55 H new ATOM 0 HB VAL A 45 -2.447 5.661 -5.622 1.00 42.44 H new ATOM 0 HG11 VAL A 45 -0.262 6.660 -5.006 1.00 41.25 H new ATOM 0 HG12 VAL A 45 -0.430 6.432 -6.763 1.00 41.25 H new ATOM 0 HG13 VAL A 45 -0.617 8.053 -6.054 1.00 41.25 H new ATOM 0 HG21 VAL A 45 -2.243 7.063 -3.578 1.00 34.41 H new ATOM 0 HG22 VAL A 45 -2.755 8.484 -4.518 1.00 34.41 H new ATOM 0 HG23 VAL A 45 -3.878 7.125 -4.278 1.00 34.41 H new ATOM 717 N GLU A 46 -1.906 7.177 -9.099 1.00 60.12 N ATOM 718 CA GLU A 46 -1.265 6.640 -10.313 1.00 22.02 C ATOM 719 C GLU A 46 0.132 7.299 -10.483 1.00 51.41 C ATOM 720 O GLU A 46 0.453 8.275 -9.780 1.00 74.20 O ATOM 721 CB GLU A 46 -2.194 6.899 -11.536 1.00 52.42 C ATOM 722 CG GLU A 46 -1.882 6.074 -12.797 1.00 30.32 C ATOM 723 CD GLU A 46 -2.846 6.382 -13.960 1.00 3.14 C ATOM 724 OE1 GLU A 46 -4.006 5.913 -13.929 1.00 55.31 O ATOM 725 OE2 GLU A 46 -2.459 7.113 -14.896 1.00 40.31 O ATOM 0 H GLU A 46 -1.760 8.179 -8.978 1.00 60.12 H new ATOM 0 HA GLU A 46 -1.116 5.563 -10.233 1.00 22.02 H new ATOM 0 HB2 GLU A 46 -3.223 6.697 -11.237 1.00 52.42 H new ATOM 0 HB3 GLU A 46 -2.139 7.957 -11.793 1.00 52.42 H new ATOM 0 HG2 GLU A 46 -0.859 6.276 -13.115 1.00 30.32 H new ATOM 0 HG3 GLU A 46 -1.937 5.013 -12.555 1.00 30.32 H new ATOM 732 N GLU A 47 0.963 6.762 -11.395 1.00 42.33 N ATOM 733 CA GLU A 47 2.333 7.271 -11.640 1.00 1.33 C ATOM 734 C GLU A 47 2.311 8.563 -12.494 1.00 51.43 C ATOM 735 O GLU A 47 2.609 8.548 -13.699 1.00 62.34 O ATOM 736 CB GLU A 47 3.182 6.166 -12.314 1.00 65.45 C ATOM 737 CG GLU A 47 3.212 4.832 -11.543 1.00 2.23 C ATOM 738 CD GLU A 47 3.980 3.730 -12.283 1.00 52.32 C ATOM 739 OE1 GLU A 47 3.577 3.383 -13.423 1.00 61.10 O ATOM 740 OE2 GLU A 47 4.955 3.185 -11.731 1.00 35.45 O ATOM 0 H GLU A 47 0.710 5.967 -11.982 1.00 42.33 H new ATOM 0 HA GLU A 47 2.787 7.531 -10.684 1.00 1.33 H new ATOM 0 HB2 GLU A 47 2.792 5.985 -13.316 1.00 65.45 H new ATOM 0 HB3 GLU A 47 4.203 6.529 -12.430 1.00 65.45 H new ATOM 0 HG2 GLU A 47 3.669 4.993 -10.567 1.00 2.23 H new ATOM 0 HG3 GLU A 47 2.190 4.498 -11.365 1.00 2.23 H new ATOM 747 N SER A 48 1.915 9.673 -11.852 1.00 35.44 N ATOM 748 CA SER A 48 1.808 10.995 -12.498 1.00 14.50 C ATOM 749 C SER A 48 3.201 11.580 -12.808 1.00 30.24 C ATOM 750 O SER A 48 3.489 11.973 -13.946 1.00 2.04 O ATOM 751 CB SER A 48 0.998 11.958 -11.595 1.00 61.13 C ATOM 752 OG SER A 48 -0.318 11.463 -11.367 1.00 24.14 O ATOM 0 H SER A 48 1.658 9.681 -10.865 1.00 35.44 H new ATOM 0 HA SER A 48 1.284 10.874 -13.446 1.00 14.50 H new ATOM 0 HB2 SER A 48 1.512 12.086 -10.642 1.00 61.13 H new ATOM 0 HB3 SER A 48 0.944 12.941 -12.063 1.00 61.13 H new ATOM 0 HG SER A 48 -0.808 12.088 -10.793 1.00 24.14 H new ATOM 758 N ASP A 49 4.067 11.592 -11.786 1.00 73.10 N ATOM 759 CA ASP A 49 5.410 12.187 -11.881 1.00 34.12 C ATOM 760 C ASP A 49 6.317 11.632 -10.759 1.00 22.45 C ATOM 761 O ASP A 49 7.227 10.836 -11.011 1.00 32.53 O ATOM 762 CB ASP A 49 5.302 13.740 -11.797 1.00 54.11 C ATOM 763 CG ASP A 49 6.637 14.466 -12.046 1.00 62.33 C ATOM 764 OD1 ASP A 49 7.452 14.587 -11.107 1.00 14.43 O ATOM 765 OD2 ASP A 49 6.879 14.913 -13.187 1.00 1.43 O ATOM 0 H ASP A 49 3.859 11.191 -10.872 1.00 73.10 H new ATOM 0 HA ASP A 49 5.858 11.923 -12.839 1.00 34.12 H new ATOM 0 HB2 ASP A 49 4.569 14.085 -12.527 1.00 54.11 H new ATOM 0 HB3 ASP A 49 4.926 14.017 -10.812 1.00 54.11 H new ATOM 770 N PHE A 50 6.033 12.058 -9.519 1.00 54.13 N ATOM 771 CA PHE A 50 6.846 11.712 -8.331 1.00 21.10 C ATOM 772 C PHE A 50 6.535 10.286 -7.831 1.00 30.32 C ATOM 773 O PHE A 50 7.444 9.502 -7.532 1.00 5.14 O ATOM 774 CB PHE A 50 6.593 12.746 -7.204 1.00 32.15 C ATOM 775 CG PHE A 50 6.944 14.186 -7.588 1.00 33.33 C ATOM 776 CD1 PHE A 50 8.275 14.597 -7.670 1.00 20.51 C ATOM 777 CD2 PHE A 50 5.947 15.127 -7.860 1.00 53.10 C ATOM 778 CE1 PHE A 50 8.598 15.898 -8.010 1.00 31.05 C ATOM 779 CE2 PHE A 50 6.273 16.427 -8.201 1.00 3.04 C ATOM 780 CZ PHE A 50 7.597 16.812 -8.274 1.00 35.33 C ATOM 0 H PHE A 50 5.233 12.653 -9.306 1.00 54.13 H new ATOM 0 HA PHE A 50 7.897 11.739 -8.617 1.00 21.10 H new ATOM 0 HB2 PHE A 50 5.543 12.704 -6.916 1.00 32.15 H new ATOM 0 HB3 PHE A 50 7.176 12.462 -6.328 1.00 32.15 H new ATOM 0 HD1 PHE A 50 9.064 13.889 -7.465 1.00 20.51 H new ATOM 0 HD2 PHE A 50 4.909 14.835 -7.803 1.00 53.10 H new ATOM 0 HE1 PHE A 50 9.633 16.199 -8.069 1.00 31.05 H new ATOM 0 HE2 PHE A 50 5.491 17.142 -8.410 1.00 3.04 H new ATOM 0 HZ PHE A 50 7.850 17.828 -8.538 1.00 35.33 H new ATOM 790 N VAL A 51 5.233 9.970 -7.753 1.00 40.23 N ATOM 791 CA VAL A 51 4.748 8.665 -7.268 1.00 64.14 C ATOM 792 C VAL A 51 5.070 7.533 -8.276 1.00 72.01 C ATOM 793 O VAL A 51 4.792 7.668 -9.471 1.00 2.24 O ATOM 794 CB VAL A 51 3.192 8.682 -7.011 1.00 55.40 C ATOM 795 CG1 VAL A 51 2.744 7.378 -6.303 1.00 10.24 C ATOM 796 CG2 VAL A 51 2.752 9.945 -6.217 1.00 22.25 C ATOM 0 H VAL A 51 4.486 10.610 -8.024 1.00 40.23 H new ATOM 0 HA VAL A 51 5.266 8.475 -6.328 1.00 64.14 H new ATOM 0 HB VAL A 51 2.693 8.730 -7.979 1.00 55.40 H new ATOM 0 HG11 VAL A 51 1.668 7.407 -6.134 1.00 10.24 H new ATOM 0 HG12 VAL A 51 2.990 6.521 -6.930 1.00 10.24 H new ATOM 0 HG13 VAL A 51 3.259 7.288 -5.347 1.00 10.24 H new ATOM 0 HG21 VAL A 51 1.674 9.919 -6.061 1.00 22.25 H new ATOM 0 HG22 VAL A 51 3.258 9.963 -5.252 1.00 22.25 H new ATOM 0 HG23 VAL A 51 3.015 10.840 -6.781 1.00 22.25 H new ATOM 806 N VAL A 52 5.676 6.435 -7.786 1.00 11.23 N ATOM 807 CA VAL A 52 5.875 5.195 -8.570 1.00 51.24 C ATOM 808 C VAL A 52 5.201 3.996 -7.853 1.00 3.31 C ATOM 809 O VAL A 52 5.302 3.843 -6.626 1.00 51.13 O ATOM 810 CB VAL A 52 7.404 4.903 -8.856 1.00 32.23 C ATOM 811 CG1 VAL A 52 8.022 6.006 -9.754 1.00 61.32 C ATOM 812 CG2 VAL A 52 8.221 4.732 -7.546 1.00 32.55 C ATOM 0 H VAL A 52 6.042 6.380 -6.836 1.00 11.23 H new ATOM 0 HA VAL A 52 5.400 5.338 -9.540 1.00 51.24 H new ATOM 0 HB VAL A 52 7.454 3.956 -9.393 1.00 32.23 H new ATOM 0 HG11 VAL A 52 9.073 5.781 -9.935 1.00 61.32 H new ATOM 0 HG12 VAL A 52 7.490 6.042 -10.704 1.00 61.32 H new ATOM 0 HG13 VAL A 52 7.938 6.971 -9.254 1.00 61.32 H new ATOM 0 HG21 VAL A 52 9.264 4.533 -7.791 1.00 32.55 H new ATOM 0 HG22 VAL A 52 8.155 5.645 -6.954 1.00 32.55 H new ATOM 0 HG23 VAL A 52 7.818 3.898 -6.972 1.00 32.55 H new ATOM 822 N LEU A 53 4.483 3.165 -8.626 1.00 70.42 N ATOM 823 CA LEU A 53 3.702 2.026 -8.095 1.00 42.12 C ATOM 824 C LEU A 53 4.341 0.684 -8.510 1.00 42.32 C ATOM 825 O LEU A 53 4.433 0.377 -9.703 1.00 22.03 O ATOM 826 CB LEU A 53 2.231 2.088 -8.606 1.00 20.40 C ATOM 827 CG LEU A 53 1.418 3.367 -8.218 1.00 41.00 C ATOM 828 CD1 LEU A 53 0.006 3.344 -8.848 1.00 43.41 C ATOM 829 CD2 LEU A 53 1.346 3.541 -6.678 1.00 32.44 C ATOM 0 H LEU A 53 4.425 3.261 -9.640 1.00 70.42 H new ATOM 0 HA LEU A 53 3.704 2.094 -7.007 1.00 42.12 H new ATOM 0 HB2 LEU A 53 2.242 2.006 -9.693 1.00 20.40 H new ATOM 0 HB3 LEU A 53 1.699 1.216 -8.226 1.00 20.40 H new ATOM 0 HG LEU A 53 1.946 4.231 -8.622 1.00 41.00 H new ATOM 0 HD11 LEU A 53 -0.535 4.245 -8.561 1.00 43.41 H new ATOM 0 HD12 LEU A 53 0.093 3.303 -9.934 1.00 43.41 H new ATOM 0 HD13 LEU A 53 -0.536 2.467 -8.494 1.00 43.41 H new ATOM 0 HD21 LEU A 53 0.775 4.438 -6.440 1.00 32.44 H new ATOM 0 HD22 LEU A 53 0.858 2.672 -6.236 1.00 32.44 H new ATOM 0 HD23 LEU A 53 2.354 3.635 -6.275 1.00 32.44 H new ATOM 841 N GLU A 54 4.738 -0.125 -7.518 1.00 34.00 N ATOM 842 CA GLU A 54 5.303 -1.468 -7.742 1.00 44.31 C ATOM 843 C GLU A 54 4.176 -2.515 -7.639 1.00 50.11 C ATOM 844 O GLU A 54 3.511 -2.622 -6.606 1.00 54.34 O ATOM 845 CB GLU A 54 6.417 -1.772 -6.701 1.00 55.04 C ATOM 846 CG GLU A 54 7.605 -0.790 -6.720 1.00 2.30 C ATOM 847 CD GLU A 54 8.786 -1.257 -5.847 1.00 52.21 C ATOM 848 OE1 GLU A 54 8.619 -1.385 -4.613 1.00 75.10 O ATOM 849 OE2 GLU A 54 9.882 -1.524 -6.390 1.00 22.32 O ATOM 0 H GLU A 54 4.677 0.132 -6.533 1.00 34.00 H new ATOM 0 HA GLU A 54 5.748 -1.509 -8.736 1.00 44.31 H new ATOM 0 HB2 GLU A 54 5.975 -1.766 -5.705 1.00 55.04 H new ATOM 0 HB3 GLU A 54 6.794 -2.780 -6.877 1.00 55.04 H new ATOM 0 HG2 GLU A 54 7.948 -0.663 -7.747 1.00 2.30 H new ATOM 0 HG3 GLU A 54 7.268 0.187 -6.373 1.00 2.30 H new ATOM 856 N ASN A 55 3.939 -3.246 -8.740 1.00 45.03 N ATOM 857 CA ASN A 55 2.816 -4.199 -8.868 1.00 11.50 C ATOM 858 C ASN A 55 3.270 -5.528 -9.524 1.00 13.31 C ATOM 859 O ASN A 55 3.837 -5.523 -10.624 1.00 63.44 O ATOM 860 CB ASN A 55 1.668 -3.525 -9.671 1.00 70.34 C ATOM 861 CG ASN A 55 2.114 -2.947 -11.017 1.00 42.04 C ATOM 862 OD1 ASN A 55 1.968 -3.567 -12.061 1.00 53.32 O ATOM 863 ND2 ASN A 55 2.704 -1.767 -10.993 1.00 61.00 N ATOM 0 H ASN A 55 4.523 -3.195 -9.574 1.00 45.03 H new ATOM 0 HA ASN A 55 2.450 -4.456 -7.874 1.00 11.50 H new ATOM 0 HB2 ASN A 55 0.879 -4.257 -9.844 1.00 70.34 H new ATOM 0 HB3 ASN A 55 1.235 -2.726 -9.068 1.00 70.34 H new ATOM 0 HD21 ASN A 55 3.050 -1.352 -11.858 1.00 61.00 H new ATOM 0 HD22 ASN A 55 2.814 -1.270 -10.109 1.00 61.00 H new ATOM 870 N GLU A 56 3.016 -6.660 -8.839 1.00 44.31 N ATOM 871 CA GLU A 56 3.303 -8.014 -9.364 1.00 43.31 C ATOM 872 C GLU A 56 2.450 -9.071 -8.620 1.00 43.43 C ATOM 873 O GLU A 56 2.757 -9.438 -7.476 1.00 23.42 O ATOM 874 CB GLU A 56 4.820 -8.347 -9.254 1.00 2.11 C ATOM 875 CG GLU A 56 5.211 -9.706 -9.864 1.00 34.43 C ATOM 876 CD GLU A 56 6.716 -9.980 -9.780 1.00 72.24 C ATOM 877 OE1 GLU A 56 7.465 -9.504 -10.660 1.00 11.22 O ATOM 878 OE2 GLU A 56 7.160 -10.647 -8.826 1.00 22.11 O ATOM 0 H GLU A 56 2.606 -6.664 -7.905 1.00 44.31 H new ATOM 0 HA GLU A 56 3.035 -8.035 -10.420 1.00 43.31 H new ATOM 0 HB2 GLU A 56 5.390 -7.561 -9.749 1.00 2.11 H new ATOM 0 HB3 GLU A 56 5.108 -8.336 -8.203 1.00 2.11 H new ATOM 0 HG2 GLU A 56 4.672 -10.500 -9.348 1.00 34.43 H new ATOM 0 HG3 GLU A 56 4.898 -9.735 -10.908 1.00 34.43 H new ATOM 885 N GLY A 57 1.369 -9.530 -9.282 1.00 74.52 N ATOM 886 CA GLY A 57 0.437 -10.515 -8.716 1.00 64.22 C ATOM 887 C GLY A 57 -0.276 -10.030 -7.442 1.00 62.00 C ATOM 888 O GLY A 57 -1.059 -9.075 -7.508 1.00 4.43 O ATOM 0 H GLY A 57 1.121 -9.226 -10.224 1.00 74.52 H new ATOM 0 HA2 GLY A 57 -0.312 -10.767 -9.467 1.00 64.22 H new ATOM 0 HA3 GLY A 57 0.983 -11.431 -8.490 1.00 64.22 H new ATOM 892 N PRO A 58 -0.028 -10.671 -6.250 1.00 23.24 N ATOM 893 CA PRO A 58 -0.589 -10.207 -4.957 1.00 14.31 C ATOM 894 C PRO A 58 0.101 -8.928 -4.406 1.00 51.10 C ATOM 895 O PRO A 58 -0.483 -8.193 -3.598 1.00 54.12 O ATOM 896 CB PRO A 58 -0.366 -11.423 -4.002 1.00 73.15 C ATOM 897 CG PRO A 58 0.075 -12.555 -4.889 1.00 10.35 C ATOM 898 CD PRO A 58 0.765 -11.911 -6.064 1.00 13.54 C ATOM 0 HA PRO A 58 -1.635 -9.916 -5.059 1.00 14.31 H new ATOM 0 HB2 PRO A 58 0.389 -11.197 -3.249 1.00 73.15 H new ATOM 0 HB3 PRO A 58 -1.282 -11.676 -3.469 1.00 73.15 H new ATOM 0 HG2 PRO A 58 0.750 -13.227 -4.359 1.00 10.35 H new ATOM 0 HG3 PRO A 58 -0.777 -13.151 -5.215 1.00 10.35 H new ATOM 0 HD2 PRO A 58 1.813 -11.697 -5.854 1.00 13.54 H new ATOM 0 HD3 PRO A 58 0.741 -12.547 -6.949 1.00 13.54 H new ATOM 906 N HIS A 59 1.338 -8.673 -4.868 1.00 73.43 N ATOM 907 CA HIS A 59 2.213 -7.618 -4.316 1.00 52.21 C ATOM 908 C HIS A 59 1.880 -6.209 -4.872 1.00 54.52 C ATOM 909 O HIS A 59 1.745 -6.024 -6.084 1.00 61.32 O ATOM 910 CB HIS A 59 3.689 -7.969 -4.599 1.00 74.32 C ATOM 911 CG HIS A 59 4.224 -9.132 -3.807 1.00 14.05 C ATOM 912 ND1 HIS A 59 5.188 -8.988 -2.833 1.00 0.11 N ATOM 913 CD2 HIS A 59 3.939 -10.454 -3.851 1.00 43.31 C ATOM 914 CE1 HIS A 59 5.473 -10.161 -2.316 1.00 73.22 C ATOM 915 NE2 HIS A 59 4.733 -11.070 -2.916 1.00 12.43 N ATOM 0 H HIS A 59 1.762 -9.193 -5.636 1.00 73.43 H new ATOM 0 HA HIS A 59 2.037 -7.579 -3.241 1.00 52.21 H new ATOM 0 HB2 HIS A 59 3.798 -8.190 -5.661 1.00 74.32 H new ATOM 0 HB3 HIS A 59 4.303 -7.093 -4.391 1.00 74.32 H new ATOM 0 HD1 HIS A 59 5.615 -8.104 -2.556 1.00 0.11 H new ATOM 0 HD2 HIS A 59 3.222 -10.934 -4.500 1.00 43.31 H new ATOM 0 HE1 HIS A 59 6.192 -10.348 -1.532 1.00 73.22 H new ATOM 924 N ARG A 60 1.748 -5.232 -3.946 1.00 3.24 N ATOM 925 CA ARG A 60 1.500 -3.799 -4.252 1.00 51.45 C ATOM 926 C ARG A 60 2.237 -2.899 -3.228 1.00 30.43 C ATOM 927 O ARG A 60 1.972 -2.984 -2.027 1.00 11.24 O ATOM 928 CB ARG A 60 -0.021 -3.482 -4.210 1.00 51.44 C ATOM 929 CG ARG A 60 -0.837 -3.987 -5.409 1.00 41.52 C ATOM 930 CD ARG A 60 -0.540 -3.188 -6.681 1.00 22.41 C ATOM 931 NE ARG A 60 -1.260 -3.738 -7.833 1.00 53.43 N ATOM 932 CZ ARG A 60 -1.918 -3.044 -8.733 1.00 33.03 C ATOM 933 NH1 ARG A 60 -2.103 -1.767 -8.600 1.00 74.02 N ATOM 934 NH2 ARG A 60 -2.415 -3.650 -9.749 1.00 53.41 N ATOM 0 H ARG A 60 1.812 -5.418 -2.945 1.00 3.24 H new ATOM 0 HA ARG A 60 1.877 -3.598 -5.255 1.00 51.45 H new ATOM 0 HB2 ARG A 60 -0.439 -3.914 -3.301 1.00 51.44 H new ATOM 0 HB3 ARG A 60 -0.147 -2.402 -4.137 1.00 51.44 H new ATOM 0 HG2 ARG A 60 -0.614 -5.040 -5.582 1.00 41.52 H new ATOM 0 HG3 ARG A 60 -1.900 -3.920 -5.178 1.00 41.52 H new ATOM 0 HD2 ARG A 60 -0.825 -2.146 -6.534 1.00 22.41 H new ATOM 0 HD3 ARG A 60 0.532 -3.200 -6.879 1.00 22.41 H new ATOM 0 HE ARG A 60 -1.249 -4.752 -7.946 1.00 53.43 H new ATOM 0 HH11 ARG A 60 -1.734 -1.281 -7.783 1.00 74.02 H new ATOM 0 HH12 ARG A 60 -2.617 -1.249 -9.313 1.00 74.02 H new ATOM 0 HH21 ARG A 60 -2.297 -4.658 -9.850 1.00 53.41 H new ATOM 0 HH22 ARG A 60 -2.929 -3.124 -10.456 1.00 53.41 H new ATOM 948 N ARG A 61 3.162 -2.045 -3.713 1.00 60.15 N ATOM 949 CA ARG A 61 3.915 -1.086 -2.864 1.00 23.21 C ATOM 950 C ARG A 61 3.960 0.314 -3.513 1.00 21.02 C ATOM 951 O ARG A 61 4.435 0.471 -4.638 1.00 33.21 O ATOM 952 CB ARG A 61 5.365 -1.598 -2.596 1.00 13.21 C ATOM 953 CG ARG A 61 5.411 -2.927 -1.822 1.00 3.33 C ATOM 954 CD ARG A 61 6.829 -3.439 -1.537 1.00 34.11 C ATOM 955 NE ARG A 61 6.782 -4.795 -0.961 1.00 64.45 N ATOM 956 CZ ARG A 61 7.806 -5.590 -0.777 1.00 2.43 C ATOM 957 NH1 ARG A 61 9.021 -5.205 -1.013 1.00 23.44 N ATOM 958 NH2 ARG A 61 7.595 -6.789 -0.356 1.00 23.12 N ATOM 0 H ARG A 61 3.411 -1.997 -4.701 1.00 60.15 H new ATOM 0 HA ARG A 61 3.391 -1.009 -1.911 1.00 23.21 H new ATOM 0 HB2 ARG A 61 5.880 -1.723 -3.549 1.00 13.21 H new ATOM 0 HB3 ARG A 61 5.912 -0.840 -2.035 1.00 13.21 H new ATOM 0 HG2 ARG A 61 4.885 -2.802 -0.876 1.00 3.33 H new ATOM 0 HG3 ARG A 61 4.870 -3.684 -2.390 1.00 3.33 H new ATOM 0 HD2 ARG A 61 7.411 -3.449 -2.459 1.00 34.11 H new ATOM 0 HD3 ARG A 61 7.335 -2.762 -0.848 1.00 34.11 H new ATOM 0 HE ARG A 61 5.867 -5.147 -0.680 1.00 64.45 H new ATOM 0 HH11 ARG A 61 9.200 -4.260 -1.352 1.00 23.44 H new ATOM 0 HH12 ARG A 61 9.798 -5.847 -0.860 1.00 23.44 H new ATOM 0 HH21 ARG A 61 6.643 -7.105 -0.172 1.00 23.12 H new ATOM 0 HH22 ARG A 61 8.380 -7.423 -0.207 1.00 23.12 H new ATOM 972 N LEU A 62 3.444 1.317 -2.790 1.00 33.14 N ATOM 973 CA LEU A 62 3.564 2.736 -3.164 1.00 23.12 C ATOM 974 C LEU A 62 4.928 3.268 -2.664 1.00 55.44 C ATOM 975 O LEU A 62 5.126 3.460 -1.458 1.00 61.23 O ATOM 976 CB LEU A 62 2.361 3.534 -2.565 1.00 50.40 C ATOM 977 CG LEU A 62 2.103 4.989 -3.112 1.00 12.15 C ATOM 978 CD1 LEU A 62 0.658 5.444 -2.807 1.00 1.15 C ATOM 979 CD2 LEU A 62 3.113 6.029 -2.562 1.00 43.21 C ATOM 0 H LEU A 62 2.928 1.167 -1.923 1.00 33.14 H new ATOM 0 HA LEU A 62 3.530 2.859 -4.246 1.00 23.12 H new ATOM 0 HB2 LEU A 62 1.456 2.949 -2.728 1.00 50.40 H new ATOM 0 HB3 LEU A 62 2.507 3.602 -1.487 1.00 50.40 H new ATOM 0 HG LEU A 62 2.247 4.939 -4.191 1.00 12.15 H new ATOM 0 HD11 LEU A 62 0.504 6.451 -3.194 1.00 1.15 H new ATOM 0 HD12 LEU A 62 -0.046 4.761 -3.282 1.00 1.15 H new ATOM 0 HD13 LEU A 62 0.495 5.441 -1.729 1.00 1.15 H new ATOM 0 HD21 LEU A 62 2.884 7.012 -2.974 1.00 43.21 H new ATOM 0 HD22 LEU A 62 3.041 6.066 -1.475 1.00 43.21 H new ATOM 0 HD23 LEU A 62 4.124 5.741 -2.849 1.00 43.21 H new ATOM 991 N VAL A 63 5.870 3.469 -3.596 1.00 1.13 N ATOM 992 CA VAL A 63 7.198 4.034 -3.291 1.00 53.53 C ATOM 993 C VAL A 63 7.233 5.533 -3.656 1.00 23.41 C ATOM 994 O VAL A 63 6.814 5.938 -4.750 1.00 53.03 O ATOM 995 CB VAL A 63 8.339 3.252 -4.045 1.00 44.45 C ATOM 996 CG1 VAL A 63 9.743 3.875 -3.796 1.00 4.12 C ATOM 997 CG2 VAL A 63 8.316 1.758 -3.650 1.00 61.32 C ATOM 0 H VAL A 63 5.736 3.246 -4.582 1.00 1.13 H new ATOM 0 HA VAL A 63 7.376 3.927 -2.221 1.00 53.53 H new ATOM 0 HB VAL A 63 8.144 3.336 -5.114 1.00 44.45 H new ATOM 0 HG11 VAL A 63 10.496 3.302 -4.336 1.00 4.12 H new ATOM 0 HG12 VAL A 63 9.751 4.907 -4.148 1.00 4.12 H new ATOM 0 HG13 VAL A 63 9.967 3.854 -2.729 1.00 4.12 H new ATOM 0 HG21 VAL A 63 9.110 1.230 -4.178 1.00 61.32 H new ATOM 0 HG22 VAL A 63 8.470 1.663 -2.575 1.00 61.32 H new ATOM 0 HG23 VAL A 63 7.352 1.326 -3.918 1.00 61.32 H new ATOM 1007 N LEU A 64 7.728 6.346 -2.716 1.00 64.11 N ATOM 1008 CA LEU A 64 7.874 7.800 -2.891 1.00 30.52 C ATOM 1009 C LEU A 64 9.360 8.188 -2.684 1.00 54.15 C ATOM 1010 O LEU A 64 9.899 7.916 -1.612 1.00 64.31 O ATOM 1011 CB LEU A 64 6.940 8.561 -1.881 1.00 23.41 C ATOM 1012 CG LEU A 64 6.101 9.738 -2.471 1.00 72.33 C ATOM 1013 CD1 LEU A 64 6.979 10.819 -3.134 1.00 41.21 C ATOM 1014 CD2 LEU A 64 5.029 9.211 -3.443 1.00 34.23 C ATOM 0 H LEU A 64 8.042 6.013 -1.804 1.00 64.11 H new ATOM 0 HA LEU A 64 7.575 8.086 -3.899 1.00 30.52 H new ATOM 0 HB2 LEU A 64 6.254 7.839 -1.439 1.00 23.41 H new ATOM 0 HB3 LEU A 64 7.557 8.952 -1.072 1.00 23.41 H new ATOM 0 HG LEU A 64 5.598 10.222 -1.634 1.00 72.33 H new ATOM 0 HD11 LEU A 64 6.344 11.613 -3.527 1.00 41.21 H new ATOM 0 HD12 LEU A 64 7.664 11.235 -2.395 1.00 41.21 H new ATOM 0 HD13 LEU A 64 7.550 10.374 -3.949 1.00 41.21 H new ATOM 0 HD21 LEU A 64 4.456 10.048 -3.842 1.00 34.23 H new ATOM 0 HD22 LEU A 64 5.511 8.678 -4.262 1.00 34.23 H new ATOM 0 HD23 LEU A 64 4.359 8.533 -2.914 1.00 34.23 H new ATOM 1026 N PRO A 65 10.055 8.787 -3.710 1.00 11.23 N ATOM 1027 CA PRO A 65 11.447 9.289 -3.547 1.00 14.53 C ATOM 1028 C PRO A 65 11.569 10.434 -2.495 1.00 3.23 C ATOM 1029 O PRO A 65 12.431 10.378 -1.613 1.00 12.52 O ATOM 1030 CB PRO A 65 11.829 9.773 -4.977 1.00 24.50 C ATOM 1031 CG PRO A 65 10.518 10.006 -5.667 1.00 40.31 C ATOM 1032 CD PRO A 65 9.575 8.964 -5.110 1.00 75.44 C ATOM 0 HA PRO A 65 12.114 8.517 -3.162 1.00 14.53 H new ATOM 0 HB2 PRO A 65 12.424 10.686 -4.940 1.00 24.50 H new ATOM 0 HB3 PRO A 65 12.424 9.026 -5.501 1.00 24.50 H new ATOM 0 HG2 PRO A 65 10.147 11.013 -5.475 1.00 40.31 H new ATOM 0 HG3 PRO A 65 10.620 9.905 -6.747 1.00 40.31 H new ATOM 0 HD2 PRO A 65 8.539 9.300 -5.141 1.00 75.44 H new ATOM 0 HD3 PRO A 65 9.625 8.033 -5.674 1.00 75.44 H new ATOM 1040 N ALA A 66 10.700 11.460 -2.590 1.00 61.33 N ATOM 1041 CA ALA A 66 10.712 12.615 -1.659 1.00 24.04 C ATOM 1042 C ALA A 66 9.274 13.073 -1.326 1.00 3.34 C ATOM 1043 O ALA A 66 8.683 13.886 -2.050 1.00 21.44 O ATOM 1044 CB ALA A 66 11.546 13.765 -2.260 1.00 34.14 C ATOM 0 H ALA A 66 9.975 11.515 -3.306 1.00 61.33 H new ATOM 0 HA ALA A 66 11.177 12.307 -0.722 1.00 24.04 H new ATOM 0 HB1 ALA A 66 11.550 14.610 -1.571 1.00 34.14 H new ATOM 0 HB2 ALA A 66 12.569 13.425 -2.424 1.00 34.14 H new ATOM 0 HB3 ALA A 66 11.109 14.074 -3.210 1.00 34.14 H new ATOM 1050 N THR A 67 8.709 12.516 -0.240 1.00 55.24 N ATOM 1051 CA THR A 67 7.306 12.762 0.177 1.00 71.35 C ATOM 1052 C THR A 67 7.073 14.232 0.612 1.00 12.20 C ATOM 1053 O THR A 67 7.678 14.716 1.572 1.00 2.42 O ATOM 1054 CB THR A 67 6.884 11.786 1.328 1.00 31.23 C ATOM 1055 OG1 THR A 67 7.072 10.431 0.893 1.00 13.41 O ATOM 1056 CG2 THR A 67 5.415 11.967 1.759 1.00 72.05 C ATOM 0 H THR A 67 9.210 11.879 0.379 1.00 55.24 H new ATOM 0 HA THR A 67 6.681 12.572 -0.696 1.00 71.35 H new ATOM 0 HB THR A 67 7.512 12.017 2.189 1.00 31.23 H new ATOM 0 HG1 THR A 67 8.007 10.170 1.030 1.00 13.41 H new ATOM 0 HG21 THR A 67 5.181 11.264 2.559 1.00 72.05 H new ATOM 0 HG22 THR A 67 5.263 12.986 2.116 1.00 72.05 H new ATOM 0 HG23 THR A 67 4.760 11.779 0.908 1.00 72.05 H new ATOM 1064 N GLN A 68 6.183 14.918 -0.119 1.00 14.34 N ATOM 1065 CA GLN A 68 5.832 16.340 0.111 1.00 31.24 C ATOM 1066 C GLN A 68 4.629 16.435 1.101 1.00 71.11 C ATOM 1067 O GLN A 68 3.883 15.461 1.231 1.00 33.14 O ATOM 1068 CB GLN A 68 5.475 16.992 -1.259 1.00 32.21 C ATOM 1069 CG GLN A 68 6.547 16.818 -2.354 1.00 55.33 C ATOM 1070 CD GLN A 68 6.074 17.283 -3.739 1.00 42.54 C ATOM 1071 OE1 GLN A 68 6.242 18.439 -4.115 1.00 5.34 O ATOM 1072 NE2 GLN A 68 5.453 16.389 -4.497 1.00 12.34 N ATOM 0 H GLN A 68 5.676 14.501 -0.899 1.00 14.34 H new ATOM 0 HA GLN A 68 6.675 16.871 0.553 1.00 31.24 H new ATOM 0 HB2 GLN A 68 4.538 16.565 -1.616 1.00 32.21 H new ATOM 0 HB3 GLN A 68 5.302 18.057 -1.105 1.00 32.21 H new ATOM 0 HG2 GLN A 68 7.438 17.379 -2.074 1.00 55.33 H new ATOM 0 HG3 GLN A 68 6.835 15.768 -2.409 1.00 55.33 H new ATOM 0 HE21 GLN A 68 5.327 15.435 -4.160 1.00 12.34 H new ATOM 0 HE22 GLN A 68 5.102 16.656 -5.417 1.00 12.34 H new ATOM 1081 N PRO A 69 4.404 17.601 1.802 1.00 54.24 N ATOM 1082 CA PRO A 69 3.286 17.756 2.796 1.00 70.35 C ATOM 1083 C PRO A 69 1.869 17.436 2.215 1.00 61.14 C ATOM 1084 O PRO A 69 1.046 16.795 2.882 1.00 32.31 O ATOM 1085 CB PRO A 69 3.409 19.247 3.246 1.00 22.13 C ATOM 1086 CG PRO A 69 4.246 19.909 2.188 1.00 60.25 C ATOM 1087 CD PRO A 69 5.213 18.848 1.720 1.00 40.43 C ATOM 0 HA PRO A 69 3.378 17.044 3.616 1.00 70.35 H new ATOM 0 HB2 PRO A 69 2.429 19.717 3.324 1.00 22.13 H new ATOM 0 HB3 PRO A 69 3.879 19.325 4.226 1.00 22.13 H new ATOM 0 HG2 PRO A 69 3.628 20.268 1.365 1.00 60.25 H new ATOM 0 HG3 PRO A 69 4.775 20.773 2.589 1.00 60.25 H new ATOM 0 HD2 PRO A 69 5.561 19.038 0.705 1.00 40.43 H new ATOM 0 HD3 PRO A 69 6.097 18.799 2.356 1.00 40.43 H new ATOM 1095 N SER A 70 1.613 17.869 0.960 1.00 32.12 N ATOM 1096 CA SER A 70 0.315 17.636 0.262 1.00 72.40 C ATOM 1097 C SER A 70 0.308 16.291 -0.518 1.00 74.01 C ATOM 1098 O SER A 70 -0.753 15.773 -0.865 1.00 34.24 O ATOM 1099 CB SER A 70 0.001 18.811 -0.697 1.00 21.32 C ATOM 1100 OG SER A 70 -1.262 18.652 -1.332 1.00 43.31 O ATOM 0 H SER A 70 2.291 18.387 0.400 1.00 32.12 H new ATOM 0 HA SER A 70 -0.460 17.578 1.026 1.00 72.40 H new ATOM 0 HB2 SER A 70 0.012 19.748 -0.140 1.00 21.32 H new ATOM 0 HB3 SER A 70 0.782 18.881 -1.454 1.00 21.32 H new ATOM 0 HG SER A 70 -1.427 19.412 -1.928 1.00 43.31 H new ATOM 1106 N ASP A 71 1.506 15.740 -0.780 1.00 14.25 N ATOM 1107 CA ASP A 71 1.692 14.438 -1.474 1.00 4.42 C ATOM 1108 C ASP A 71 1.328 13.251 -0.547 1.00 21.11 C ATOM 1109 O ASP A 71 0.661 12.296 -0.969 1.00 50.11 O ATOM 1110 CB ASP A 71 3.162 14.359 -1.966 1.00 1.22 C ATOM 1111 CG ASP A 71 3.599 12.985 -2.480 1.00 4.45 C ATOM 1112 OD1 ASP A 71 3.414 12.699 -3.687 1.00 62.22 O ATOM 1113 OD2 ASP A 71 4.133 12.198 -1.675 1.00 44.31 O ATOM 0 H ASP A 71 2.386 16.184 -0.516 1.00 14.25 H new ATOM 0 HA ASP A 71 1.020 14.371 -2.330 1.00 4.42 H new ATOM 0 HB2 ASP A 71 3.303 15.090 -2.762 1.00 1.22 H new ATOM 0 HB3 ASP A 71 3.820 14.650 -1.147 1.00 1.22 H new ATOM 1118 N GLY A 72 1.776 13.333 0.714 1.00 14.14 N ATOM 1119 CA GLY A 72 1.447 12.335 1.739 1.00 71.43 C ATOM 1120 C GLY A 72 0.207 12.728 2.550 1.00 12.31 C ATOM 1121 O GLY A 72 -0.111 13.917 2.675 1.00 51.33 O ATOM 0 H GLY A 72 2.373 14.089 1.050 1.00 14.14 H new ATOM 0 HA2 GLY A 72 1.277 11.369 1.263 1.00 71.43 H new ATOM 0 HA3 GLY A 72 2.296 12.214 2.412 1.00 71.43 H new ATOM 1125 N GLY A 73 -0.479 11.726 3.110 1.00 64.14 N ATOM 1126 CA GLY A 73 -1.753 11.930 3.818 1.00 35.14 C ATOM 1127 C GLY A 73 -2.395 10.605 4.221 1.00 70.42 C ATOM 1128 O GLY A 73 -1.699 9.707 4.688 1.00 23.02 O ATOM 0 H GLY A 73 -0.171 10.754 3.087 1.00 64.14 H new ATOM 0 HA2 GLY A 73 -1.582 12.536 4.707 1.00 35.14 H new ATOM 0 HA3 GLY A 73 -2.439 12.487 3.180 1.00 35.14 H new ATOM 1132 N GLU A 74 -3.717 10.453 4.039 1.00 62.44 N ATOM 1133 CA GLU A 74 -4.418 9.192 4.374 1.00 14.44 C ATOM 1134 C GLU A 74 -4.659 8.342 3.106 1.00 65.13 C ATOM 1135 O GLU A 74 -5.354 8.767 2.178 1.00 72.25 O ATOM 1136 CB GLU A 74 -5.737 9.486 5.126 1.00 4.33 C ATOM 1137 CG GLU A 74 -5.531 10.160 6.503 1.00 73.23 C ATOM 1138 CD GLU A 74 -6.813 10.219 7.343 1.00 32.42 C ATOM 1139 OE1 GLU A 74 -7.177 9.183 7.949 1.00 62.54 O ATOM 1140 OE2 GLU A 74 -7.471 11.278 7.389 1.00 34.42 O ATOM 0 H GLU A 74 -4.324 11.182 3.664 1.00 62.44 H new ATOM 0 HA GLU A 74 -3.782 8.608 5.040 1.00 14.44 H new ATOM 0 HB2 GLU A 74 -6.362 10.129 4.507 1.00 4.33 H new ATOM 0 HB3 GLU A 74 -6.281 8.552 5.266 1.00 4.33 H new ATOM 0 HG2 GLU A 74 -4.766 9.615 7.056 1.00 73.23 H new ATOM 0 HG3 GLU A 74 -5.156 11.172 6.353 1.00 73.23 H new ATOM 1147 N PHE A 75 -4.044 7.144 3.079 1.00 62.14 N ATOM 1148 CA PHE A 75 -4.091 6.213 1.937 1.00 1.12 C ATOM 1149 C PHE A 75 -5.022 5.008 2.228 1.00 64.21 C ATOM 1150 O PHE A 75 -4.900 4.345 3.261 1.00 5.05 O ATOM 1151 CB PHE A 75 -2.660 5.721 1.593 1.00 3.43 C ATOM 1152 CG PHE A 75 -1.720 6.836 1.126 1.00 24.25 C ATOM 1153 CD1 PHE A 75 -1.087 7.676 2.045 1.00 1.02 C ATOM 1154 CD2 PHE A 75 -1.469 7.045 -0.229 1.00 44.33 C ATOM 1155 CE1 PHE A 75 -0.238 8.684 1.623 1.00 34.40 C ATOM 1156 CE2 PHE A 75 -0.619 8.054 -0.647 1.00 60.43 C ATOM 1157 CZ PHE A 75 -0.001 8.870 0.278 1.00 52.31 C ATOM 0 H PHE A 75 -3.493 6.792 3.862 1.00 62.14 H new ATOM 0 HA PHE A 75 -4.500 6.748 1.080 1.00 1.12 H new ATOM 0 HB2 PHE A 75 -2.230 5.240 2.472 1.00 3.43 H new ATOM 0 HB3 PHE A 75 -2.724 4.962 0.813 1.00 3.43 H new ATOM 0 HD1 PHE A 75 -1.263 7.537 3.101 1.00 1.02 H new ATOM 0 HD2 PHE A 75 -1.944 6.411 -0.963 1.00 44.33 H new ATOM 0 HE1 PHE A 75 0.240 9.326 2.349 1.00 34.40 H new ATOM 0 HE2 PHE A 75 -0.439 8.203 -1.701 1.00 60.43 H new ATOM 0 HZ PHE A 75 0.667 9.652 -0.051 1.00 52.31 H new ATOM 1167 N GLN A 76 -5.959 4.754 1.301 1.00 2.43 N ATOM 1168 CA GLN A 76 -6.891 3.605 1.349 1.00 62.35 C ATOM 1169 C GLN A 76 -6.572 2.621 0.206 1.00 5.30 C ATOM 1170 O GLN A 76 -6.583 3.000 -0.965 1.00 73.11 O ATOM 1171 CB GLN A 76 -8.362 4.099 1.247 1.00 54.42 C ATOM 1172 CG GLN A 76 -8.837 4.924 2.458 1.00 45.34 C ATOM 1173 CD GLN A 76 -10.306 5.340 2.371 1.00 73.02 C ATOM 1174 OE1 GLN A 76 -11.192 4.475 2.819 1.00 75.12 O flip ATOM 1175 NE2 GLN A 76 -10.645 6.411 1.883 1.00 61.24 N flip ATOM 0 H GLN A 76 -6.096 5.347 0.483 1.00 2.43 H new ATOM 0 HA GLN A 76 -6.767 3.088 2.301 1.00 62.35 H new ATOM 0 HB2 GLN A 76 -8.469 4.703 0.346 1.00 54.42 H new ATOM 0 HB3 GLN A 76 -9.016 3.235 1.131 1.00 54.42 H new ATOM 0 HG2 GLN A 76 -8.685 4.342 3.367 1.00 45.34 H new ATOM 0 HG3 GLN A 76 -8.219 5.817 2.545 1.00 45.34 H new ATOM 0 HE21 GLN A 76 -9.938 7.063 1.543 1.00 61.24 H new ATOM 0 HE22 GLN A 76 -11.634 6.651 1.816 1.00 61.24 H new ATOM 1184 N CYS A 77 -6.279 1.363 0.561 1.00 60.24 N ATOM 1185 CA CYS A 77 -5.904 0.316 -0.407 1.00 24.44 C ATOM 1186 C CYS A 77 -7.068 -0.672 -0.605 1.00 62.13 C ATOM 1187 O CYS A 77 -7.213 -1.633 0.151 1.00 33.14 O ATOM 1188 CB CYS A 77 -4.650 -0.406 0.113 1.00 1.23 C ATOM 1189 SG CYS A 77 -3.328 0.722 0.580 1.00 21.42 S ATOM 0 H CYS A 77 -6.294 1.039 1.528 1.00 60.24 H new ATOM 0 HA CYS A 77 -5.686 0.765 -1.376 1.00 24.44 H new ATOM 0 HB2 CYS A 77 -4.920 -1.016 0.975 1.00 1.23 H new ATOM 0 HB3 CYS A 77 -4.284 -1.086 -0.656 1.00 1.23 H new ATOM 0 HG CYS A 77 -2.799 1.238 -0.490 1.00 21.42 H new ATOM 1195 N VAL A 78 -7.886 -0.437 -1.640 1.00 5.41 N ATOM 1196 CA VAL A 78 -9.095 -1.239 -1.910 1.00 35.34 C ATOM 1197 C VAL A 78 -8.775 -2.381 -2.900 1.00 1.32 C ATOM 1198 O VAL A 78 -8.620 -2.150 -4.097 1.00 74.33 O ATOM 1199 CB VAL A 78 -10.273 -0.338 -2.458 1.00 14.15 C ATOM 1200 CG1 VAL A 78 -11.568 -1.165 -2.690 1.00 64.32 C ATOM 1201 CG2 VAL A 78 -10.531 0.866 -1.506 1.00 22.22 C ATOM 0 H VAL A 78 -7.732 0.312 -2.315 1.00 5.41 H new ATOM 0 HA VAL A 78 -9.424 -1.677 -0.968 1.00 35.34 H new ATOM 0 HB VAL A 78 -9.968 0.056 -3.428 1.00 14.15 H new ATOM 0 HG11 VAL A 78 -12.355 -0.511 -3.067 1.00 64.32 H new ATOM 0 HG12 VAL A 78 -11.371 -1.952 -3.418 1.00 64.32 H new ATOM 0 HG13 VAL A 78 -11.888 -1.612 -1.749 1.00 64.32 H new ATOM 0 HG21 VAL A 78 -11.345 1.474 -1.901 1.00 22.22 H new ATOM 0 HG22 VAL A 78 -10.801 0.496 -0.517 1.00 22.22 H new ATOM 0 HG23 VAL A 78 -9.628 1.472 -1.433 1.00 22.22 H new ATOM 1211 N ALA A 79 -8.642 -3.608 -2.370 1.00 33.12 N ATOM 1212 CA ALA A 79 -8.472 -4.834 -3.191 1.00 32.52 C ATOM 1213 C ALA A 79 -9.762 -5.167 -3.979 1.00 33.42 C ATOM 1214 O ALA A 79 -9.718 -5.725 -5.079 1.00 45.12 O ATOM 1215 CB ALA A 79 -8.077 -6.012 -2.289 1.00 51.12 C ATOM 0 H ALA A 79 -8.648 -3.785 -1.366 1.00 33.12 H new ATOM 0 HA ALA A 79 -7.679 -4.654 -3.916 1.00 32.52 H new ATOM 0 HB1 ALA A 79 -7.953 -6.909 -2.896 1.00 51.12 H new ATOM 0 HB2 ALA A 79 -7.139 -5.784 -1.783 1.00 51.12 H new ATOM 0 HB3 ALA A 79 -8.858 -6.180 -1.547 1.00 51.12 H new ATOM 1221 N GLY A 80 -10.905 -4.816 -3.368 1.00 75.20 N ATOM 1222 CA GLY A 80 -12.233 -5.041 -3.945 1.00 13.34 C ATOM 1223 C GLY A 80 -13.271 -5.204 -2.842 1.00 21.10 C ATOM 1224 O GLY A 80 -13.876 -4.224 -2.395 1.00 73.23 O ATOM 0 H GLY A 80 -10.930 -4.365 -2.453 1.00 75.20 H new ATOM 0 HA2 GLY A 80 -12.504 -4.203 -4.587 1.00 13.34 H new ATOM 0 HA3 GLY A 80 -12.217 -5.932 -4.573 1.00 13.34 H new ATOM 1228 N ASP A 81 -13.443 -6.452 -2.373 1.00 71.01 N ATOM 1229 CA ASP A 81 -14.246 -6.766 -1.171 1.00 12.34 C ATOM 1230 C ASP A 81 -13.538 -6.255 0.118 1.00 42.52 C ATOM 1231 O ASP A 81 -14.186 -5.874 1.095 1.00 2.43 O ATOM 1232 CB ASP A 81 -14.471 -8.299 -1.101 1.00 61.53 C ATOM 1233 CG ASP A 81 -15.335 -8.738 0.095 1.00 15.31 C ATOM 1234 OD1 ASP A 81 -16.550 -8.437 0.102 1.00 54.55 O ATOM 1235 OD2 ASP A 81 -14.812 -9.377 1.033 1.00 12.52 O ATOM 0 H ASP A 81 -13.031 -7.274 -2.814 1.00 71.01 H new ATOM 0 HA ASP A 81 -15.209 -6.260 -1.239 1.00 12.34 H new ATOM 0 HB2 ASP A 81 -14.946 -8.631 -2.024 1.00 61.53 H new ATOM 0 HB3 ASP A 81 -13.504 -8.798 -1.043 1.00 61.53 H new ATOM 1240 N GLU A 82 -12.197 -6.238 0.078 1.00 50.14 N ATOM 1241 CA GLU A 82 -11.328 -5.923 1.238 1.00 45.41 C ATOM 1242 C GLU A 82 -10.550 -4.602 1.054 1.00 23.42 C ATOM 1243 O GLU A 82 -10.344 -4.139 -0.076 1.00 34.25 O ATOM 1244 CB GLU A 82 -10.352 -7.102 1.425 1.00 42.52 C ATOM 1245 CG GLU A 82 -11.001 -8.380 1.991 1.00 55.41 C ATOM 1246 CD GLU A 82 -10.941 -8.473 3.523 1.00 45.33 C ATOM 1247 OE1 GLU A 82 -9.876 -8.870 4.058 1.00 73.54 O ATOM 1248 OE2 GLU A 82 -11.925 -8.115 4.194 1.00 41.41 O ATOM 0 H GLU A 82 -11.671 -6.445 -0.771 1.00 50.14 H new ATOM 0 HA GLU A 82 -11.952 -5.785 2.121 1.00 45.41 H new ATOM 0 HB2 GLU A 82 -9.895 -7.336 0.463 1.00 42.52 H new ATOM 0 HB3 GLU A 82 -9.548 -6.791 2.092 1.00 42.52 H new ATOM 0 HG2 GLU A 82 -12.043 -8.420 1.673 1.00 55.41 H new ATOM 0 HG3 GLU A 82 -10.504 -9.250 1.563 1.00 55.41 H new ATOM 1255 N CYS A 83 -10.097 -4.019 2.189 1.00 70.20 N ATOM 1256 CA CYS A 83 -9.369 -2.728 2.218 1.00 41.13 C ATOM 1257 C CYS A 83 -8.347 -2.660 3.385 1.00 42.02 C ATOM 1258 O CYS A 83 -8.687 -2.941 4.538 1.00 45.21 O ATOM 1259 CB CYS A 83 -10.371 -1.553 2.342 1.00 3.22 C ATOM 1260 SG CYS A 83 -11.551 -1.409 0.976 1.00 12.43 S ATOM 0 H CYS A 83 -10.226 -4.432 3.113 1.00 70.20 H new ATOM 0 HA CYS A 83 -8.816 -2.649 1.282 1.00 41.13 H new ATOM 0 HB2 CYS A 83 -10.927 -1.666 3.273 1.00 3.22 H new ATOM 0 HB3 CYS A 83 -9.809 -0.622 2.417 1.00 3.22 H new ATOM 0 HG CYS A 83 -11.346 -2.368 0.123 1.00 12.43 H new ATOM 1266 N ALA A 84 -7.095 -2.269 3.067 1.00 32.20 N ATOM 1267 CA ALA A 84 -6.035 -1.977 4.068 1.00 24.03 C ATOM 1268 C ALA A 84 -5.905 -0.444 4.266 1.00 42.15 C ATOM 1269 O ALA A 84 -6.025 0.318 3.303 1.00 54.41 O ATOM 1270 CB ALA A 84 -4.701 -2.589 3.613 1.00 23.34 C ATOM 0 H ALA A 84 -6.784 -2.145 2.103 1.00 32.20 H new ATOM 0 HA ALA A 84 -6.307 -2.424 5.024 1.00 24.03 H new ATOM 0 HB1 ALA A 84 -3.930 -2.371 4.352 1.00 23.34 H new ATOM 0 HB2 ALA A 84 -4.812 -3.669 3.512 1.00 23.34 H new ATOM 0 HB3 ALA A 84 -4.414 -2.162 2.652 1.00 23.34 H new ATOM 1276 N TYR A 85 -5.662 0.008 5.513 1.00 44.20 N ATOM 1277 CA TYR A 85 -5.686 1.456 5.866 1.00 24.11 C ATOM 1278 C TYR A 85 -4.309 1.962 6.366 1.00 14.11 C ATOM 1279 O TYR A 85 -3.709 1.384 7.279 1.00 23.34 O ATOM 1280 CB TYR A 85 -6.779 1.724 6.935 1.00 20.01 C ATOM 1281 CG TYR A 85 -8.205 1.395 6.453 1.00 24.54 C ATOM 1282 CD1 TYR A 85 -8.952 2.328 5.721 1.00 12.12 C ATOM 1283 CD2 TYR A 85 -8.797 0.154 6.715 1.00 23.44 C ATOM 1284 CE1 TYR A 85 -10.229 2.036 5.279 1.00 44.44 C ATOM 1285 CE2 TYR A 85 -10.074 -0.136 6.271 1.00 33.23 C ATOM 1286 CZ TYR A 85 -10.784 0.806 5.558 1.00 2.12 C ATOM 1287 OH TYR A 85 -12.060 0.517 5.123 1.00 32.20 O ATOM 0 H TYR A 85 -5.446 -0.605 6.299 1.00 44.20 H new ATOM 0 HA TYR A 85 -5.921 2.010 4.957 1.00 24.11 H new ATOM 0 HB2 TYR A 85 -6.559 1.133 7.824 1.00 20.01 H new ATOM 0 HB3 TYR A 85 -6.737 2.772 7.231 1.00 20.01 H new ATOM 0 HD1 TYR A 85 -8.522 3.293 5.498 1.00 12.12 H new ATOM 0 HD2 TYR A 85 -8.247 -0.589 7.273 1.00 23.44 H new ATOM 0 HE1 TYR A 85 -10.789 2.769 4.717 1.00 44.44 H new ATOM 0 HE2 TYR A 85 -10.514 -1.099 6.483 1.00 33.23 H new ATOM 0 HH TYR A 85 -12.302 -0.391 5.401 1.00 32.20 H new ATOM 1297 N PHE A 86 -3.835 3.058 5.744 1.00 12.51 N ATOM 1298 CA PHE A 86 -2.593 3.772 6.119 1.00 5.03 C ATOM 1299 C PHE A 86 -2.906 5.242 6.461 1.00 14.23 C ATOM 1300 O PHE A 86 -3.482 5.965 5.651 1.00 52.22 O ATOM 1301 CB PHE A 86 -1.551 3.709 4.961 1.00 31.50 C ATOM 1302 CG PHE A 86 -0.748 2.415 4.925 1.00 33.45 C ATOM 1303 CD1 PHE A 86 -1.300 1.235 4.441 1.00 42.31 C ATOM 1304 CD2 PHE A 86 0.561 2.379 5.399 1.00 61.11 C ATOM 1305 CE1 PHE A 86 -0.566 0.071 4.430 1.00 1.23 C ATOM 1306 CE2 PHE A 86 1.294 1.212 5.380 1.00 63.13 C ATOM 1307 CZ PHE A 86 0.731 0.057 4.898 1.00 55.11 C ATOM 0 H PHE A 86 -4.313 3.483 4.949 1.00 12.51 H new ATOM 0 HA PHE A 86 -2.170 3.283 6.997 1.00 5.03 H new ATOM 0 HB2 PHE A 86 -2.071 3.830 4.010 1.00 31.50 H new ATOM 0 HB3 PHE A 86 -0.864 4.549 5.057 1.00 31.50 H new ATOM 0 HD1 PHE A 86 -2.314 1.231 4.070 1.00 42.31 H new ATOM 0 HD2 PHE A 86 1.009 3.281 5.788 1.00 61.11 H new ATOM 0 HE1 PHE A 86 -1.009 -0.838 4.052 1.00 1.23 H new ATOM 0 HE2 PHE A 86 2.311 1.206 5.744 1.00 63.13 H new ATOM 0 HZ PHE A 86 1.302 -0.860 4.885 1.00 55.11 H new ATOM 1317 N THR A 87 -2.526 5.671 7.674 1.00 41.03 N ATOM 1318 CA THR A 87 -2.619 7.081 8.094 1.00 52.12 C ATOM 1319 C THR A 87 -1.191 7.656 8.209 1.00 24.44 C ATOM 1320 O THR A 87 -0.487 7.398 9.196 1.00 4.13 O ATOM 1321 CB THR A 87 -3.374 7.222 9.464 1.00 35.31 C ATOM 1322 OG1 THR A 87 -4.604 6.477 9.424 1.00 30.54 O ATOM 1323 CG2 THR A 87 -3.686 8.692 9.808 1.00 41.43 C ATOM 0 H THR A 87 -2.146 5.053 8.391 1.00 41.03 H new ATOM 0 HA THR A 87 -3.190 7.637 7.350 1.00 52.12 H new ATOM 0 HB THR A 87 -2.715 6.827 10.237 1.00 35.31 H new ATOM 0 HG1 THR A 87 -5.069 6.567 10.282 1.00 30.54 H new ATOM 0 HG21 THR A 87 -4.208 8.739 10.764 1.00 41.43 H new ATOM 0 HG22 THR A 87 -2.755 9.255 9.875 1.00 41.43 H new ATOM 0 HG23 THR A 87 -4.315 9.122 9.029 1.00 41.43 H new ATOM 1331 N VAL A 88 -0.762 8.417 7.187 1.00 31.40 N ATOM 1332 CA VAL A 88 0.618 8.941 7.094 1.00 31.53 C ATOM 1333 C VAL A 88 0.694 10.388 7.648 1.00 4.24 C ATOM 1334 O VAL A 88 0.274 11.348 6.993 1.00 53.13 O ATOM 1335 CB VAL A 88 1.158 8.852 5.616 1.00 24.14 C ATOM 1336 CG1 VAL A 88 2.603 9.388 5.487 1.00 61.12 C ATOM 1337 CG2 VAL A 88 1.050 7.398 5.087 1.00 0.32 C ATOM 0 H VAL A 88 -1.357 8.687 6.404 1.00 31.40 H new ATOM 0 HA VAL A 88 1.264 8.318 7.712 1.00 31.53 H new ATOM 0 HB VAL A 88 0.530 9.495 4.999 1.00 24.14 H new ATOM 0 HG11 VAL A 88 2.930 9.306 4.451 1.00 61.12 H new ATOM 0 HG12 VAL A 88 2.632 10.433 5.795 1.00 61.12 H new ATOM 0 HG13 VAL A 88 3.266 8.803 6.125 1.00 61.12 H new ATOM 0 HG21 VAL A 88 1.427 7.354 4.065 1.00 0.32 H new ATOM 0 HG22 VAL A 88 1.640 6.736 5.720 1.00 0.32 H new ATOM 0 HG23 VAL A 88 0.007 7.082 5.103 1.00 0.32 H new ATOM 1347 N THR A 89 1.221 10.506 8.878 1.00 30.43 N ATOM 1348 CA THR A 89 1.353 11.776 9.615 1.00 14.42 C ATOM 1349 C THR A 89 2.681 12.488 9.253 1.00 11.40 C ATOM 1350 O THR A 89 3.760 12.046 9.665 1.00 72.31 O ATOM 1351 CB THR A 89 1.317 11.508 11.164 1.00 72.11 C ATOM 1352 OG1 THR A 89 0.164 10.709 11.502 1.00 20.24 O ATOM 1353 CG2 THR A 89 1.289 12.814 11.986 1.00 2.05 C ATOM 0 H THR A 89 1.575 9.704 9.400 1.00 30.43 H new ATOM 0 HA THR A 89 0.518 12.418 9.333 1.00 14.42 H new ATOM 0 HB THR A 89 2.233 10.974 11.416 1.00 72.11 H new ATOM 0 HG1 THR A 89 0.151 10.546 12.468 1.00 20.24 H new ATOM 0 HG21 THR A 89 1.265 12.574 13.049 1.00 2.05 H new ATOM 0 HG22 THR A 89 2.181 13.401 11.767 1.00 2.05 H new ATOM 0 HG23 THR A 89 0.402 13.390 11.724 1.00 2.05 H new ATOM 1361 N ILE A 90 2.595 13.575 8.465 1.00 34.23 N ATOM 1362 CA ILE A 90 3.770 14.410 8.112 1.00 52.23 C ATOM 1363 C ILE A 90 3.890 15.603 9.079 1.00 63.40 C ATOM 1364 O ILE A 90 4.101 15.433 10.288 1.00 61.13 O ATOM 1365 CB ILE A 90 3.677 14.929 6.626 1.00 41.32 C ATOM 1366 CG1 ILE A 90 3.452 13.735 5.643 1.00 11.51 C ATOM 1367 CG2 ILE A 90 4.941 15.741 6.224 1.00 62.43 C ATOM 1368 CD1 ILE A 90 3.365 14.119 4.178 1.00 40.31 C ATOM 0 H ILE A 90 1.720 13.902 8.055 1.00 34.23 H new ATOM 0 HA ILE A 90 4.660 13.787 8.200 1.00 52.23 H new ATOM 0 HB ILE A 90 2.821 15.601 6.561 1.00 41.32 H new ATOM 0 HG12 ILE A 90 4.267 13.022 5.769 1.00 11.51 H new ATOM 0 HG13 ILE A 90 2.533 13.221 5.924 1.00 11.51 H new ATOM 0 HG21 ILE A 90 4.842 16.083 5.194 1.00 62.43 H new ATOM 0 HG22 ILE A 90 5.045 16.603 6.884 1.00 62.43 H new ATOM 0 HG23 ILE A 90 5.824 15.108 6.313 1.00 62.43 H new ATOM 0 HD11 ILE A 90 3.208 13.224 3.576 1.00 40.31 H new ATOM 0 HD12 ILE A 90 2.531 14.806 4.031 1.00 40.31 H new ATOM 0 HD13 ILE A 90 4.293 14.604 3.873 1.00 40.31 H new