USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 531 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 18 HIS : no HD1:sc=-0.00559 X(o=1.2,f=1.1) USER MOD Set 1.2: A 22 THR OG1 : rot -47:sc= 1.19 USER MOD Set 2.1: A 5 THR OG1 : rot -66:sc= 1.19 USER MOD Set 2.2: A 8 GLN : amide:sc= 1.23 K(o=2.4,f=0.65!) USER MOD Single : A 9 GLN : amide:sc= 0.28 X(o=0.28,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 46:sc= 0.218 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 22:sc= 1.22 USER MOD Single : A 41 ASN : amide:sc= -0.164 K(o=-0.16,f=-1) USER MOD Single : A 46 HIS : no HD1:sc=-0.00161 K(o=-0.0016,f=-0.97) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 4 -8.343 -2.205 -10.072 1.00 0.00 N ATOM 51 CA LEU A 4 -8.246 -2.258 -8.592 1.00 0.00 C ATOM 52 C LEU A 4 -9.655 -2.345 -7.894 1.00 0.00 C ATOM 53 O LEU A 4 -10.527 -1.497 -8.098 1.00 0.00 O ATOM 54 CB LEU A 4 -7.498 -1.001 -8.054 1.00 0.00 C ATOM 55 CG LEU A 4 -5.956 -1.029 -8.125 1.00 0.00 C ATOM 56 CD1 LEU A 4 -5.399 -0.811 -9.530 1.00 0.00 C ATOM 57 CD2 LEU A 4 -5.393 0.079 -7.211 1.00 0.00 C ATOM 0 HA LEU A 4 -7.692 -3.166 -8.351 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.849 -0.132 -8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.788 -0.851 -7.014 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.651 -2.026 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.310 -0.844 -9.499 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.767 -1.594 -10.193 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.722 0.161 -9.903 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.304 0.068 -7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.759 1.049 -7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.717 -0.096 -6.185 1.00 0.00 H new ATOM 69 N THR A 5 -9.823 -3.338 -7.017 1.00 0.00 N ATOM 70 CA THR A 5 -11.017 -3.443 -6.130 1.00 0.00 C ATOM 71 C THR A 5 -11.044 -2.358 -4.986 1.00 0.00 C ATOM 72 O THR A 5 -10.014 -1.786 -4.617 1.00 0.00 O ATOM 73 CB THR A 5 -11.143 -4.880 -5.513 1.00 0.00 C ATOM 74 OG1 THR A 5 -10.039 -5.217 -4.678 1.00 0.00 O ATOM 75 CG2 THR A 5 -11.293 -6.005 -6.533 1.00 0.00 C ATOM 0 H THR A 5 -9.149 -4.093 -6.891 1.00 0.00 H new ATOM 0 HA THR A 5 -11.877 -3.250 -6.771 1.00 0.00 H new ATOM 0 HB THR A 5 -12.064 -4.810 -4.934 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.227 -5.286 -5.222 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.373 -6.960 -6.013 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.191 -5.840 -7.128 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.422 -6.021 -7.188 1.00 0.00 H new ATOM 83 N ALA A 6 -12.229 -2.089 -4.415 1.00 0.00 N ATOM 84 CA ALA A 6 -12.407 -1.019 -3.392 1.00 0.00 C ATOM 85 C ALA A 6 -11.500 -1.056 -2.115 1.00 0.00 C ATOM 86 O ALA A 6 -10.917 -0.027 -1.772 1.00 0.00 O ATOM 87 CB ALA A 6 -13.903 -0.997 -3.041 1.00 0.00 C ATOM 0 H ALA A 6 -13.087 -2.594 -4.638 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.056 -0.093 -3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -14.090 -0.227 -2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.484 -0.780 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.198 -1.968 -2.644 1.00 0.00 H new ATOM 93 N ARG A 7 -11.345 -2.213 -1.450 1.00 0.00 N ATOM 94 CA ARG A 7 -10.419 -2.344 -0.286 1.00 0.00 C ATOM 95 C ARG A 7 -8.890 -2.285 -0.614 1.00 0.00 C ATOM 96 O ARG A 7 -8.152 -1.670 0.160 1.00 0.00 O ATOM 97 CB ARG A 7 -10.832 -3.604 0.506 1.00 0.00 C ATOM 98 CG ARG A 7 -10.218 -3.759 1.914 1.00 0.00 C ATOM 99 CD ARG A 7 -10.637 -2.670 2.908 1.00 0.00 C ATOM 100 NE ARG A 7 -10.161 -3.051 4.257 1.00 0.00 N ATOM 101 CZ ARG A 7 -10.301 -2.321 5.354 1.00 0.00 C ATOM 102 NH1 ARG A 7 -10.876 -1.154 5.394 1.00 0.00 N ATOM 103 NH2 ARG A 7 -9.833 -2.796 6.456 1.00 0.00 N ATOM 0 H ARG A 7 -11.840 -3.072 -1.688 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.535 -1.452 0.330 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.918 -3.606 0.604 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.564 -4.481 -0.083 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.503 -4.731 2.317 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.132 -3.756 1.826 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.215 -1.709 2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.721 -2.555 2.908 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.686 -3.949 4.350 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.256 -0.743 4.541 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.947 -0.650 6.278 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.373 -3.706 6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.923 -2.262 7.320 1.00 0.00 H new ATOM 116 N GLN A 8 -8.405 -2.845 -1.741 1.00 0.00 N ATOM 117 CA GLN A 8 -7.019 -2.558 -2.219 1.00 0.00 C ATOM 118 C GLN A 8 -6.754 -1.073 -2.654 1.00 0.00 C ATOM 119 O GLN A 8 -5.696 -0.538 -2.329 1.00 0.00 O ATOM 120 CB GLN A 8 -6.561 -3.621 -3.246 1.00 0.00 C ATOM 121 CG GLN A 8 -7.126 -3.495 -4.666 1.00 0.00 C ATOM 122 CD GLN A 8 -6.781 -4.613 -5.632 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.651 -5.353 -6.080 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.545 -4.751 -6.038 1.00 0.00 N ATOM 0 H GLN A 8 -8.933 -3.487 -2.333 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.370 -2.652 -1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.473 -3.587 -3.308 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.828 -4.605 -2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.212 -3.427 -4.597 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.774 -2.555 -5.091 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.816 -4.140 -5.670 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.310 -5.470 -6.722 1.00 0.00 H new ATOM 133 N GLN A 9 -7.706 -0.390 -3.315 1.00 0.00 N ATOM 134 CA GLN A 9 -7.677 1.095 -3.471 1.00 0.00 C ATOM 135 C GLN A 9 -7.609 1.926 -2.142 1.00 0.00 C ATOM 136 O GLN A 9 -6.837 2.884 -2.098 1.00 0.00 O ATOM 137 CB GLN A 9 -8.854 1.477 -4.394 1.00 0.00 C ATOM 138 CG GLN A 9 -9.017 2.967 -4.759 1.00 0.00 C ATOM 139 CD GLN A 9 -7.893 3.640 -5.526 1.00 0.00 C ATOM 140 OE1 GLN A 9 -7.902 3.744 -6.746 1.00 0.00 O ATOM 141 NE2 GLN A 9 -6.903 4.160 -4.850 1.00 0.00 N ATOM 0 H GLN A 9 -8.512 -0.835 -3.755 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.727 1.374 -3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.752 0.913 -5.321 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.777 1.144 -3.918 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.930 3.069 -5.346 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.169 3.523 -3.834 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.883 4.081 -3.833 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.151 4.645 -5.339 1.00 0.00 H new ATOM 150 N GLU A 10 -8.337 1.564 -1.072 1.00 0.00 N ATOM 151 CA GLU A 10 -8.081 2.111 0.295 1.00 0.00 C ATOM 152 C GLU A 10 -6.619 1.878 0.856 1.00 0.00 C ATOM 153 O GLU A 10 -6.011 2.824 1.362 1.00 0.00 O ATOM 154 CB GLU A 10 -9.108 1.539 1.307 1.00 0.00 C ATOM 155 CG GLU A 10 -10.565 1.993 1.105 1.00 0.00 C ATOM 156 CD GLU A 10 -11.502 1.405 2.150 1.00 0.00 C ATOM 157 OE1 GLU A 10 -12.007 0.290 2.072 1.00 0.00 O ATOM 158 OE2 GLU A 10 -11.713 2.255 3.192 1.00 0.00 O ATOM 0 H GLU A 10 -9.108 0.898 -1.115 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.191 3.190 0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.075 0.451 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.795 1.820 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.614 3.081 1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.901 1.697 0.111 1.00 0.00 H new ATOM 166 N VAL A 11 -6.067 0.661 0.724 1.00 0.00 N ATOM 167 CA VAL A 11 -4.624 0.371 1.012 1.00 0.00 C ATOM 168 C VAL A 11 -3.622 1.238 0.163 1.00 0.00 C ATOM 169 O VAL A 11 -2.743 1.868 0.753 1.00 0.00 O ATOM 170 CB VAL A 11 -4.373 -1.174 0.909 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.892 -1.582 1.070 1.00 0.00 C ATOM 172 CG2 VAL A 11 -5.163 -1.974 1.975 1.00 0.00 C ATOM 0 H VAL A 11 -6.593 -0.157 0.417 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.412 0.680 2.035 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.712 -1.414 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.802 -2.665 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.297 -1.107 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.531 -1.262 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.954 -3.038 1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.861 -1.650 2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.231 -1.798 1.845 1.00 0.00 H new ATOM 182 N PHE A 12 -3.774 1.311 -1.169 1.00 0.00 N ATOM 183 CA PHE A 12 -3.004 2.260 -2.027 1.00 0.00 C ATOM 184 C PHE A 12 -3.129 3.776 -1.668 1.00 0.00 C ATOM 185 O PHE A 12 -2.098 4.444 -1.571 1.00 0.00 O ATOM 186 CB PHE A 12 -3.377 1.943 -3.496 1.00 0.00 C ATOM 187 CG PHE A 12 -2.632 2.739 -4.587 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.236 2.926 -4.554 1.00 0.00 C ATOM 189 CD2 PHE A 12 -3.358 3.325 -5.633 1.00 0.00 C ATOM 190 CE1 PHE A 12 -0.598 3.710 -5.515 1.00 0.00 C ATOM 191 CE2 PHE A 12 -2.718 4.106 -6.596 1.00 0.00 C ATOM 192 CZ PHE A 12 -1.343 4.300 -6.532 1.00 0.00 C ATOM 0 H PHE A 12 -4.426 0.724 -1.690 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.942 2.095 -1.844 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.202 0.881 -3.670 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.446 2.114 -3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.653 2.457 -3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.425 3.170 -5.694 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.471 3.859 -5.470 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.291 4.560 -7.391 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.851 4.911 -7.274 1.00 0.00 H new ATOM 202 N ASP A 13 -4.341 4.297 -1.423 1.00 0.00 N ATOM 203 CA ASP A 13 -4.529 5.683 -0.915 1.00 0.00 C ATOM 204 C ASP A 13 -3.847 6.019 0.468 1.00 0.00 C ATOM 205 O ASP A 13 -3.481 7.176 0.665 1.00 0.00 O ATOM 206 CB ASP A 13 -6.047 5.971 -0.859 1.00 0.00 C ATOM 207 CG ASP A 13 -6.452 7.419 -1.105 1.00 0.00 C ATOM 208 OD1 ASP A 13 -7.294 7.732 -1.938 1.00 0.00 O ATOM 209 OD2 ASP A 13 -5.799 8.309 -0.300 1.00 0.00 O ATOM 0 H ASP A 13 -5.212 3.786 -1.566 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.009 6.336 -1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.545 5.343 -1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.420 5.669 0.120 1.00 0.00 H new ATOM 215 N LEU A 14 -3.685 5.059 1.387 1.00 0.00 N ATOM 216 CA LEU A 14 -2.776 5.200 2.570 1.00 0.00 C ATOM 217 C LEU A 14 -1.256 5.324 2.206 1.00 0.00 C ATOM 218 O LEU A 14 -0.594 6.221 2.735 1.00 0.00 O ATOM 219 CB LEU A 14 -3.119 4.007 3.494 1.00 0.00 C ATOM 220 CG LEU A 14 -2.591 4.023 4.945 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.337 2.919 5.721 1.00 0.00 C ATOM 222 CD2 LEU A 14 -1.092 3.760 5.077 1.00 0.00 C ATOM 0 H LEU A 14 -4.169 4.162 1.348 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.946 6.147 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.205 3.923 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.748 3.100 3.016 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.765 5.026 5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.988 2.901 6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.408 3.122 5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.143 1.953 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.809 3.790 6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.857 2.778 4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.539 4.524 4.531 1.00 0.00 H new ATOM 234 N ILE A 15 -0.723 4.484 1.296 1.00 0.00 N ATOM 235 CA ILE A 15 0.645 4.671 0.708 1.00 0.00 C ATOM 236 C ILE A 15 0.858 6.086 0.024 1.00 0.00 C ATOM 237 O ILE A 15 1.855 6.750 0.317 1.00 0.00 O ATOM 238 CB ILE A 15 1.066 3.518 -0.273 1.00 0.00 C ATOM 239 CG1 ILE A 15 0.673 2.068 0.100 1.00 0.00 C ATOM 240 CG2 ILE A 15 2.590 3.547 -0.570 1.00 0.00 C ATOM 241 CD1 ILE A 15 1.108 1.537 1.458 1.00 0.00 C ATOM 0 H ILE A 15 -1.212 3.662 0.942 1.00 0.00 H new ATOM 0 HA ILE A 15 1.308 4.627 1.572 1.00 0.00 H new ATOM 0 HB ILE A 15 0.467 3.758 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.413 1.991 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.079 1.405 -0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.843 2.735 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.853 4.501 -1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.144 3.426 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.760 0.511 1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.196 1.562 1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.680 2.157 2.245 1.00 0.00 H new ATOM 253 N ARG A 16 -0.084 6.541 -0.820 1.00 0.00 N ATOM 254 CA ARG A 16 -0.090 7.927 -1.360 1.00 0.00 C ATOM 255 C ARG A 16 -0.183 9.073 -0.282 1.00 0.00 C ATOM 256 O ARG A 16 0.594 10.025 -0.353 1.00 0.00 O ATOM 257 CB ARG A 16 -1.228 8.110 -2.403 1.00 0.00 C ATOM 258 CG ARG A 16 -1.158 7.199 -3.641 1.00 0.00 C ATOM 259 CD ARG A 16 -2.118 7.592 -4.773 1.00 0.00 C ATOM 260 NE ARG A 16 -3.545 7.419 -4.406 1.00 0.00 N ATOM 261 CZ ARG A 16 -4.550 7.346 -5.265 1.00 0.00 C ATOM 262 NH1 ARG A 16 -4.415 7.339 -6.560 1.00 0.00 N ATOM 263 NH2 ARG A 16 -5.746 7.289 -4.787 1.00 0.00 N ATOM 0 H ARG A 16 -0.861 5.969 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 16 0.889 8.035 -1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.182 7.940 -1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.224 9.147 -2.738 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.138 7.208 -4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.375 6.175 -3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.942 8.632 -5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.899 6.989 -5.654 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.770 7.351 -3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.485 7.392 -6.976 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.239 7.280 -7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.893 7.301 -3.778 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.545 7.232 -5.418 1.00 0.00 H new ATOM 276 N ASP A 17 -1.094 8.961 0.699 1.00 0.00 N ATOM 277 CA ASP A 17 -1.228 9.940 1.810 1.00 0.00 C ATOM 278 C ASP A 17 0.038 10.104 2.708 1.00 0.00 C ATOM 279 O ASP A 17 0.517 11.228 2.841 1.00 0.00 O ATOM 280 CB ASP A 17 -2.491 9.533 2.604 1.00 0.00 C ATOM 281 CG ASP A 17 -2.985 10.552 3.612 1.00 0.00 C ATOM 282 OD1 ASP A 17 -3.053 11.758 3.405 1.00 0.00 O ATOM 283 OD2 ASP A 17 -3.367 9.973 4.781 1.00 0.00 O ATOM 0 H ASP A 17 -1.762 8.192 0.751 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.332 10.941 1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.294 9.330 1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.284 8.600 3.128 1.00 0.00 H new ATOM 289 N HIS A 18 0.583 9.031 3.301 1.00 0.00 N ATOM 290 CA HIS A 18 1.780 9.138 4.185 1.00 0.00 C ATOM 291 C HIS A 18 3.134 9.521 3.488 1.00 0.00 C ATOM 292 O HIS A 18 3.903 10.279 4.086 1.00 0.00 O ATOM 293 CB HIS A 18 1.835 7.850 5.030 1.00 0.00 C ATOM 294 CG HIS A 18 2.784 7.934 6.235 1.00 0.00 C ATOM 295 ND1 HIS A 18 4.026 7.327 6.231 1.00 0.00 N ATOM 296 CD2 HIS A 18 2.612 8.690 7.418 1.00 0.00 C ATOM 297 CE1 HIS A 18 4.527 7.812 7.407 1.00 0.00 C ATOM 298 NE2 HIS A 18 3.735 8.585 8.211 1.00 0.00 N ATOM 0 H HIS A 18 0.226 8.082 3.193 1.00 0.00 H new ATOM 0 HA HIS A 18 1.654 10.010 4.827 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.831 7.618 5.386 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.146 7.022 4.393 1.00 0.00 H new ATOM 0 HD2 HIS A 18 1.731 9.265 7.664 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.542 7.586 7.699 1.00 0.00 H new ATOM 0 HE2 HIS A 18 3.922 8.974 9.135 1.00 0.00 H new ATOM 306 N ILE A 19 3.400 9.089 2.241 1.00 0.00 N ATOM 307 CA ILE A 19 4.521 9.657 1.413 1.00 0.00 C ATOM 308 C ILE A 19 4.290 11.172 1.031 1.00 0.00 C ATOM 309 O ILE A 19 5.241 11.946 1.128 1.00 0.00 O ATOM 310 CB ILE A 19 4.826 8.735 0.167 1.00 0.00 C ATOM 311 CG1 ILE A 19 5.338 7.337 0.637 1.00 0.00 C ATOM 312 CG2 ILE A 19 5.894 9.344 -0.781 1.00 0.00 C ATOM 313 CD1 ILE A 19 5.446 6.277 -0.458 1.00 0.00 C ATOM 0 H ILE A 19 2.868 8.355 1.773 1.00 0.00 H new ATOM 0 HA ILE A 19 5.419 9.659 2.031 1.00 0.00 H new ATOM 0 HB ILE A 19 3.887 8.643 -0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.319 7.463 1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.669 6.966 1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.064 8.668 -1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.542 10.305 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.827 9.486 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.810 5.344 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.465 6.112 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.140 6.617 -1.226 1.00 0.00 H new ATOM 325 N SER A 20 3.080 11.612 0.642 1.00 0.00 N ATOM 326 CA SER A 20 2.766 13.069 0.528 1.00 0.00 C ATOM 327 C SER A 20 2.821 13.930 1.848 1.00 0.00 C ATOM 328 O SER A 20 3.140 15.116 1.767 1.00 0.00 O ATOM 329 CB SER A 20 1.381 13.210 -0.146 1.00 0.00 C ATOM 330 OG SER A 20 1.106 14.572 -0.480 1.00 0.00 O ATOM 0 H SER A 20 2.303 10.996 0.401 1.00 0.00 H new ATOM 0 HA SER A 20 3.577 13.490 -0.067 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.348 12.598 -1.047 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.608 12.834 0.523 1.00 0.00 H new ATOM 0 HG SER A 20 0.226 14.633 -0.906 1.00 0.00 H new ATOM 336 N GLN A 21 2.504 13.357 3.014 1.00 0.00 N ATOM 337 CA GLN A 21 2.722 14.003 4.334 1.00 0.00 C ATOM 338 C GLN A 21 4.228 14.076 4.812 1.00 0.00 C ATOM 339 O GLN A 21 4.630 15.100 5.366 1.00 0.00 O ATOM 340 CB GLN A 21 1.914 13.215 5.411 1.00 0.00 C ATOM 341 CG GLN A 21 0.378 13.326 5.320 1.00 0.00 C ATOM 342 CD GLN A 21 -0.373 12.319 6.188 1.00 0.00 C ATOM 343 OE1 GLN A 21 0.133 11.317 6.683 1.00 0.00 O ATOM 344 NE2 GLN A 21 -1.645 12.532 6.390 1.00 0.00 N ATOM 0 H GLN A 21 2.087 12.429 3.080 1.00 0.00 H new ATOM 0 HA GLN A 21 2.390 15.034 4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.187 12.162 5.343 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.226 13.562 6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.080 14.333 5.610 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.076 13.191 4.282 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.094 13.357 5.991 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.190 11.874 6.947 1.00 0.00 H new ATOM 353 N THR A 22 4.994 12.986 4.666 1.00 0.00 N ATOM 354 CA THR A 22 6.332 12.830 5.301 1.00 0.00 C ATOM 355 C THR A 22 7.556 12.607 4.334 1.00 0.00 C ATOM 356 O THR A 22 8.692 12.812 4.766 1.00 0.00 O ATOM 357 CB THR A 22 6.330 11.644 6.337 1.00 0.00 C ATOM 358 OG1 THR A 22 6.097 10.379 5.723 1.00 0.00 O ATOM 359 CG2 THR A 22 5.334 11.784 7.483 1.00 0.00 C ATOM 0 H THR A 22 4.713 12.181 4.106 1.00 0.00 H new ATOM 0 HA THR A 22 6.483 13.802 5.771 1.00 0.00 H new ATOM 0 HB THR A 22 7.336 11.697 6.753 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.336 10.448 5.110 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.411 10.918 8.140 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.555 12.689 8.049 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.323 11.846 7.081 1.00 0.00 H new ATOM 367 N GLY A 23 7.354 12.123 3.100 1.00 0.00 N ATOM 368 CA GLY A 23 8.447 11.561 2.266 1.00 0.00 C ATOM 369 C GLY A 23 8.694 10.033 2.329 1.00 0.00 C ATOM 370 O GLY A 23 9.178 9.466 1.346 1.00 0.00 O ATOM 0 H GLY A 23 6.440 12.106 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.245 11.825 1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.374 12.061 2.547 1.00 0.00 H new ATOM 374 N MET A 24 8.427 9.389 3.471 1.00 0.00 N ATOM 375 CA MET A 24 8.822 7.986 3.743 1.00 0.00 C ATOM 376 C MET A 24 7.659 6.936 3.667 1.00 0.00 C ATOM 377 O MET A 24 6.572 7.222 4.179 1.00 0.00 O ATOM 378 CB MET A 24 9.591 7.936 5.092 1.00 0.00 C ATOM 379 CG MET A 24 8.803 8.273 6.364 1.00 0.00 C ATOM 380 SD MET A 24 9.895 8.185 7.792 1.00 0.00 S ATOM 381 CE MET A 24 8.717 8.667 9.065 1.00 0.00 C ATOM 0 H MET A 24 7.926 9.824 4.245 1.00 0.00 H new ATOM 0 HA MET A 24 9.477 7.673 2.930 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.005 6.934 5.207 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.434 8.624 5.025 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.373 9.271 6.284 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.973 7.577 6.485 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.212 8.672 10.036 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.335 9.664 8.848 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.890 7.957 9.083 1.00 0.00 H new ATOM 391 N PRO A 25 7.831 5.712 3.087 1.00 0.00 N ATOM 392 CA PRO A 25 6.729 4.699 3.005 1.00 0.00 C ATOM 393 C PRO A 25 6.094 4.150 4.315 1.00 0.00 C ATOM 394 O PRO A 25 6.853 3.757 5.209 1.00 0.00 O ATOM 395 CB PRO A 25 7.401 3.538 2.217 1.00 0.00 C ATOM 396 CG PRO A 25 8.403 4.249 1.296 1.00 0.00 C ATOM 397 CD PRO A 25 8.942 5.395 2.159 1.00 0.00 C ATOM 0 HA PRO A 25 5.861 5.183 2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.901 2.838 2.886 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.669 2.966 1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.201 3.578 0.979 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.921 4.621 0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.839 5.096 2.701 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.210 6.259 1.550 1.00 0.00 H new ATOM 405 N PRO A 26 4.746 4.012 4.455 1.00 0.00 N ATOM 406 CA PRO A 26 4.124 3.377 5.660 1.00 0.00 C ATOM 407 C PRO A 26 4.208 1.827 5.659 1.00 0.00 C ATOM 408 O PRO A 26 3.754 1.149 4.734 1.00 0.00 O ATOM 409 CB PRO A 26 2.670 3.910 5.589 1.00 0.00 C ATOM 410 CG PRO A 26 2.406 4.094 4.082 1.00 0.00 C ATOM 411 CD PRO A 26 3.751 4.579 3.520 1.00 0.00 C ATOM 0 HA PRO A 26 4.635 3.629 6.589 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.966 3.206 6.033 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.564 4.851 6.129 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.093 3.160 3.616 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.614 4.821 3.902 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.911 4.224 2.502 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.804 5.667 3.491 1.00 0.00 H new ATOM 419 N THR A 27 4.801 1.268 6.714 1.00 0.00 N ATOM 420 CA THR A 27 5.184 -0.164 6.747 1.00 0.00 C ATOM 421 C THR A 27 4.170 -1.042 7.527 1.00 0.00 C ATOM 422 O THR A 27 4.223 -1.120 8.757 1.00 0.00 O ATOM 423 CB THR A 27 6.607 -0.358 7.380 1.00 0.00 C ATOM 424 OG1 THR A 27 6.732 0.284 8.647 1.00 0.00 O ATOM 425 CG2 THR A 27 7.713 0.161 6.480 1.00 0.00 C ATOM 0 H THR A 27 5.032 1.779 7.566 1.00 0.00 H new ATOM 0 HA THR A 27 5.190 -0.489 5.707 1.00 0.00 H new ATOM 0 HB THR A 27 6.713 -1.435 7.507 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.947 0.078 9.197 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.678 0.004 6.962 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.690 -0.374 5.530 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.566 1.226 6.300 1.00 0.00 H new ATOM 433 N ARG A 28 3.324 -1.758 6.775 1.00 0.00 N ATOM 434 CA ARG A 28 2.860 -3.138 7.107 1.00 0.00 C ATOM 435 C ARG A 28 1.877 -3.250 8.315 1.00 0.00 C ATOM 436 O ARG A 28 0.669 -3.416 8.135 1.00 0.00 O ATOM 437 CB ARG A 28 4.043 -4.150 7.100 1.00 0.00 C ATOM 438 CG ARG A 28 4.856 -4.178 5.784 1.00 0.00 C ATOM 439 CD ARG A 28 6.079 -5.099 5.848 1.00 0.00 C ATOM 440 NE ARG A 28 6.864 -4.961 4.594 1.00 0.00 N ATOM 441 CZ ARG A 28 7.858 -4.109 4.380 1.00 0.00 C ATOM 442 NH1 ARG A 28 8.300 -3.259 5.259 1.00 0.00 N ATOM 443 NH2 ARG A 28 8.418 -4.125 3.219 1.00 0.00 N ATOM 0 H ARG A 28 2.929 -1.402 5.904 1.00 0.00 H new ATOM 0 HA ARG A 28 2.202 -3.440 6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.716 -3.909 7.923 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.651 -5.149 7.291 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.207 -4.503 4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.184 -3.166 5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.698 -4.842 6.708 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.763 -6.134 5.981 1.00 0.00 H new ATOM 0 HE ARG A 28 6.615 -5.581 3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.877 -3.218 6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.070 -2.634 5.021 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.093 -4.777 2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.186 -3.486 3.014 1.00 0.00 H new ATOM 456 N ALA A 29 2.409 -3.052 9.527 1.00 0.00 N ATOM 457 CA ALA A 29 1.593 -2.650 10.701 1.00 0.00 C ATOM 458 C ALA A 29 0.854 -1.265 10.603 1.00 0.00 C ATOM 459 O ALA A 29 -0.272 -1.159 11.089 1.00 0.00 O ATOM 460 CB ALA A 29 2.542 -2.689 11.909 1.00 0.00 C ATOM 0 H ALA A 29 3.402 -3.162 9.730 1.00 0.00 H new ATOM 0 HA ALA A 29 0.760 -3.348 10.781 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.998 -2.401 12.809 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.936 -3.698 12.030 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.367 -1.995 11.746 1.00 0.00 H new ATOM 466 N GLU A 30 1.447 -0.249 9.952 1.00 0.00 N ATOM 467 CA GLU A 30 0.737 1.013 9.587 1.00 0.00 C ATOM 468 C GLU A 30 -0.503 0.840 8.632 1.00 0.00 C ATOM 469 O GLU A 30 -1.536 1.455 8.892 1.00 0.00 O ATOM 470 CB GLU A 30 1.778 2.010 9.002 1.00 0.00 C ATOM 471 CG GLU A 30 2.734 2.594 10.069 1.00 0.00 C ATOM 472 CD GLU A 30 3.939 3.334 9.513 1.00 0.00 C ATOM 473 OE1 GLU A 30 3.914 4.491 9.103 1.00 0.00 O ATOM 474 OE2 GLU A 30 5.070 2.574 9.548 1.00 0.00 O ATOM 0 H GLU A 30 2.424 -0.268 9.661 1.00 0.00 H new ATOM 0 HA GLU A 30 0.294 1.403 10.503 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.366 1.503 8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.251 2.828 8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.170 3.275 10.707 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.086 1.781 10.704 1.00 0.00 H new ATOM 482 N ILE A 31 -0.447 -0.029 7.605 1.00 0.00 N ATOM 483 CA ILE A 31 -1.670 -0.466 6.855 1.00 0.00 C ATOM 484 C ILE A 31 -2.700 -1.243 7.769 1.00 0.00 C ATOM 485 O ILE A 31 -3.877 -0.873 7.786 1.00 0.00 O ATOM 486 CB ILE A 31 -1.320 -1.262 5.545 1.00 0.00 C ATOM 487 CG1 ILE A 31 -0.501 -0.452 4.492 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.605 -1.718 4.786 1.00 0.00 C ATOM 489 CD1 ILE A 31 1.007 -0.459 4.700 1.00 0.00 C ATOM 0 H ILE A 31 0.420 -0.448 7.267 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.171 0.449 6.538 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.727 -2.097 5.918 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.717 -0.852 3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.848 0.581 4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.322 -2.265 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.199 -2.365 5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.193 -0.843 4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.485 0.131 3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.242 -0.029 5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.375 -1.484 4.658 1.00 0.00 H new ATOM 501 N ALA A 32 -2.266 -2.288 8.495 1.00 0.00 N ATOM 502 CA ALA A 32 -3.154 -3.069 9.389 1.00 0.00 C ATOM 503 C ALA A 32 -3.900 -2.298 10.530 1.00 0.00 C ATOM 504 O ALA A 32 -5.111 -2.472 10.685 1.00 0.00 O ATOM 505 CB ALA A 32 -2.323 -4.245 9.926 1.00 0.00 C ATOM 0 H ALA A 32 -1.300 -2.617 8.483 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.000 -3.393 8.783 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.938 -4.851 10.592 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.978 -4.857 9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.463 -3.862 10.475 1.00 0.00 H new ATOM 511 N GLN A 33 -3.198 -1.455 11.296 1.00 0.00 N ATOM 512 CA GLN A 33 -3.805 -0.628 12.370 1.00 0.00 C ATOM 513 C GLN A 33 -4.706 0.558 11.887 1.00 0.00 C ATOM 514 O GLN A 33 -5.804 0.719 12.420 1.00 0.00 O ATOM 515 CB GLN A 33 -2.615 -0.171 13.258 1.00 0.00 C ATOM 516 CG GLN A 33 -3.032 0.496 14.585 1.00 0.00 C ATOM 517 CD GLN A 33 -1.852 0.964 15.421 1.00 0.00 C ATOM 518 OE1 GLN A 33 -1.249 0.214 16.178 1.00 0.00 O ATOM 519 NE2 GLN A 33 -1.474 2.213 15.325 1.00 0.00 N ATOM 0 H GLN A 33 -2.192 -1.320 11.196 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.528 -1.225 12.925 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.990 -1.036 13.480 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.001 0.529 12.691 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.675 1.349 14.368 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.624 -0.210 15.168 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.968 2.848 14.698 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.686 2.551 15.877 1.00 0.00 H new ATOM 528 N ARG A 34 -4.258 1.381 10.926 1.00 0.00 N ATOM 529 CA ARG A 34 -5.023 2.575 10.460 1.00 0.00 C ATOM 530 C ARG A 34 -6.383 2.277 9.719 1.00 0.00 C ATOM 531 O ARG A 34 -7.369 2.963 9.990 1.00 0.00 O ATOM 532 CB ARG A 34 -4.115 3.442 9.550 1.00 0.00 C ATOM 533 CG ARG A 34 -2.889 4.086 10.231 1.00 0.00 C ATOM 534 CD ARG A 34 -1.986 4.772 9.192 1.00 0.00 C ATOM 535 NE ARG A 34 -0.779 5.300 9.867 1.00 0.00 N ATOM 536 CZ ARG A 34 0.312 5.737 9.257 1.00 0.00 C ATOM 537 NH1 ARG A 34 0.479 5.754 7.967 1.00 0.00 N ATOM 538 NH2 ARG A 34 1.272 6.175 9.995 1.00 0.00 N ATOM 0 H ARG A 34 -3.367 1.250 10.447 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.311 3.100 11.370 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.763 2.822 8.725 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.723 4.236 9.115 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.219 4.815 10.971 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.322 3.324 10.766 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.701 4.062 8.415 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.526 5.582 8.702 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.789 5.330 10.887 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.261 5.415 7.352 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.350 6.107 7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.175 6.176 11.010 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.130 6.521 9.564 1.00 0.00 H new ATOM 551 N LEU A 35 -6.433 1.290 8.813 1.00 0.00 N ATOM 552 CA LEU A 35 -7.704 0.863 8.155 1.00 0.00 C ATOM 553 C LEU A 35 -8.625 -0.154 8.933 1.00 0.00 C ATOM 554 O LEU A 35 -9.733 -0.426 8.460 1.00 0.00 O ATOM 555 CB LEU A 35 -7.332 0.278 6.760 1.00 0.00 C ATOM 556 CG LEU A 35 -6.969 1.329 5.689 1.00 0.00 C ATOM 557 CD1 LEU A 35 -6.276 0.648 4.503 1.00 0.00 C ATOM 558 CD2 LEU A 35 -8.201 2.083 5.174 1.00 0.00 C ATOM 0 H LEU A 35 -5.613 0.764 8.510 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.322 1.760 8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.489 -0.402 6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.171 -0.315 6.396 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.302 2.049 6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.023 1.396 3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.366 0.156 4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.946 -0.093 4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.894 2.811 4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.901 1.376 4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.685 2.599 6.003 1.00 0.00 H new ATOM 570 N GLY A 36 -8.198 -0.700 10.080 1.00 0.00 N ATOM 571 CA GLY A 36 -9.010 -1.665 10.862 1.00 0.00 C ATOM 572 C GLY A 36 -8.995 -3.134 10.402 1.00 0.00 C ATOM 573 O GLY A 36 -10.056 -3.749 10.279 1.00 0.00 O ATOM 0 H GLY A 36 -7.290 -0.493 10.496 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.670 -1.632 11.897 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.044 -1.320 10.855 1.00 0.00 H new ATOM 577 N PHE A 37 -7.807 -3.713 10.218 1.00 0.00 N ATOM 578 CA PHE A 37 -7.655 -5.142 9.862 1.00 0.00 C ATOM 579 C PHE A 37 -7.415 -5.984 11.158 1.00 0.00 C ATOM 580 O PHE A 37 -6.315 -5.971 11.723 1.00 0.00 O ATOM 581 CB PHE A 37 -6.448 -5.324 8.903 1.00 0.00 C ATOM 582 CG PHE A 37 -6.651 -4.846 7.463 1.00 0.00 C ATOM 583 CD1 PHE A 37 -7.210 -5.715 6.516 1.00 0.00 C ATOM 584 CD2 PHE A 37 -6.230 -3.572 7.043 1.00 0.00 C ATOM 585 CE1 PHE A 37 -7.331 -5.330 5.181 1.00 0.00 C ATOM 586 CE2 PHE A 37 -6.332 -3.197 5.701 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.882 -4.076 4.773 1.00 0.00 C ATOM 0 H PHE A 37 -6.921 -3.215 10.309 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.564 -5.482 9.367 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.594 -4.793 9.323 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.186 -6.382 8.879 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.551 -6.693 6.823 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.824 -2.877 7.764 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.773 -6.005 4.463 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.984 -2.225 5.384 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.961 -3.786 3.736 1.00 0.00 H new ATOM 597 N ARG A 38 -8.407 -6.780 11.584 1.00 0.00 N ATOM 598 CA ARG A 38 -8.221 -7.740 12.726 1.00 0.00 C ATOM 599 C ARG A 38 -7.497 -9.090 12.323 1.00 0.00 C ATOM 600 O ARG A 38 -7.943 -10.195 12.634 1.00 0.00 O ATOM 601 CB ARG A 38 -9.619 -7.919 13.368 1.00 0.00 C ATOM 602 CG ARG A 38 -9.590 -8.500 14.797 1.00 0.00 C ATOM 603 CD ARG A 38 -11.000 -8.584 15.402 1.00 0.00 C ATOM 604 NE ARG A 38 -10.878 -9.089 16.788 1.00 0.00 N ATOM 605 CZ ARG A 38 -11.880 -9.271 17.630 1.00 0.00 C ATOM 606 NH1 ARG A 38 -13.129 -9.029 17.355 1.00 0.00 N ATOM 607 NH2 ARG A 38 -11.592 -9.719 18.804 1.00 0.00 N ATOM 0 H ARG A 38 -9.341 -6.792 11.173 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.524 -7.337 13.460 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.122 -6.952 13.391 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.216 -8.574 12.734 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.142 -9.494 14.777 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.958 -7.878 15.431 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.476 -7.603 15.395 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.629 -9.248 14.809 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.941 -9.316 17.121 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.389 -8.673 16.435 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.848 -9.195 18.059 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.622 -9.918 19.050 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.334 -9.875 19.487 1.00 0.00 H new ATOM 620 N SER A 39 -6.357 -8.948 11.637 1.00 0.00 N ATOM 621 CA SER A 39 -5.510 -10.034 11.096 1.00 0.00 C ATOM 622 C SER A 39 -4.358 -9.325 10.279 1.00 0.00 C ATOM 623 O SER A 39 -4.598 -8.987 9.114 1.00 0.00 O ATOM 624 CB SER A 39 -6.259 -11.047 10.188 1.00 0.00 C ATOM 625 OG SER A 39 -7.035 -11.959 10.962 1.00 0.00 O ATOM 0 H SER A 39 -5.974 -8.026 11.430 1.00 0.00 H new ATOM 0 HA SER A 39 -5.142 -10.634 11.928 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.908 -10.509 9.497 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.539 -11.600 9.584 1.00 0.00 H new ATOM 0 HG SER A 39 -7.219 -11.568 11.841 1.00 0.00 H new ATOM 631 N PRO A 40 -3.125 -9.080 10.803 1.00 0.00 N ATOM 632 CA PRO A 40 -2.034 -8.384 10.020 1.00 0.00 C ATOM 633 C PRO A 40 -1.602 -8.932 8.633 1.00 0.00 C ATOM 634 O PRO A 40 -1.234 -8.148 7.757 1.00 0.00 O ATOM 635 CB PRO A 40 -0.869 -8.342 11.043 1.00 0.00 C ATOM 636 CG PRO A 40 -1.587 -8.267 12.409 1.00 0.00 C ATOM 637 CD PRO A 40 -2.796 -9.205 12.240 1.00 0.00 C ATOM 0 HA PRO A 40 -2.411 -7.422 9.673 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.239 -9.228 10.970 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.224 -7.478 10.881 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.937 -8.594 13.221 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.900 -7.249 12.641 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.549 -10.232 12.508 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.631 -8.903 12.872 1.00 0.00 H new ATOM 645 N ASN A 41 -1.698 -10.252 8.415 1.00 0.00 N ATOM 646 CA ASN A 41 -1.577 -10.861 7.061 1.00 0.00 C ATOM 647 C ASN A 41 -2.638 -10.415 5.989 1.00 0.00 C ATOM 648 O ASN A 41 -2.260 -10.274 4.827 1.00 0.00 O ATOM 649 CB ASN A 41 -1.547 -12.396 7.277 1.00 0.00 C ATOM 650 CG ASN A 41 -1.063 -13.216 6.091 1.00 0.00 C ATOM 651 OD1 ASN A 41 -0.290 -12.779 5.245 1.00 0.00 O ATOM 652 ND2 ASN A 41 -1.479 -14.450 5.985 1.00 0.00 N ATOM 0 H ASN A 41 -1.860 -10.931 9.158 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.659 -10.490 6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.906 -12.612 8.132 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.551 -12.728 7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.161 -15.031 5.209 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.122 -14.833 6.678 1.00 0.00 H new ATOM 659 N ALA A 42 -3.908 -10.160 6.354 1.00 0.00 N ATOM 660 CA ALA A 42 -4.917 -9.590 5.414 1.00 0.00 C ATOM 661 C ALA A 42 -4.571 -8.215 4.739 1.00 0.00 C ATOM 662 O ALA A 42 -4.767 -8.068 3.531 1.00 0.00 O ATOM 663 CB ALA A 42 -6.242 -9.526 6.190 1.00 0.00 C ATOM 0 H ALA A 42 -4.269 -10.336 7.291 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.959 -10.249 4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.020 -9.114 5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.526 -10.529 6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.120 -8.889 7.066 1.00 0.00 H new ATOM 669 N ALA A 43 -3.996 -7.263 5.492 1.00 0.00 N ATOM 670 CA ALA A 43 -3.290 -6.091 4.909 1.00 0.00 C ATOM 671 C ALA A 43 -2.121 -6.397 3.904 1.00 0.00 C ATOM 672 O ALA A 43 -2.046 -5.760 2.851 1.00 0.00 O ATOM 673 CB ALA A 43 -2.793 -5.271 6.110 1.00 0.00 C ATOM 0 H ALA A 43 -4.002 -7.275 6.512 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.995 -5.556 4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.261 -4.389 5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.644 -4.961 6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.120 -5.881 6.713 1.00 0.00 H new ATOM 679 N GLU A 44 -1.262 -7.381 4.212 1.00 0.00 N ATOM 680 CA GLU A 44 -0.199 -7.857 3.291 1.00 0.00 C ATOM 681 C GLU A 44 -0.672 -8.574 1.975 1.00 0.00 C ATOM 682 O GLU A 44 -0.027 -8.377 0.946 1.00 0.00 O ATOM 683 CB GLU A 44 0.803 -8.778 4.045 1.00 0.00 C ATOM 684 CG GLU A 44 1.520 -8.176 5.270 1.00 0.00 C ATOM 685 CD GLU A 44 2.274 -6.884 5.025 1.00 0.00 C ATOM 686 OE1 GLU A 44 1.836 -5.781 5.332 1.00 0.00 O ATOM 687 OE2 GLU A 44 3.474 -7.093 4.416 1.00 0.00 O ATOM 0 H GLU A 44 -1.279 -7.874 5.105 1.00 0.00 H new ATOM 0 HA GLU A 44 0.273 -6.935 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.266 -9.669 4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.562 -9.106 3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.780 -8.000 6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.221 -8.916 5.657 1.00 0.00 H new ATOM 695 N GLU A 45 -1.772 -9.345 1.979 1.00 0.00 N ATOM 696 CA GLU A 45 -2.411 -9.840 0.725 1.00 0.00 C ATOM 697 C GLU A 45 -2.915 -8.713 -0.256 1.00 0.00 C ATOM 698 O GLU A 45 -2.658 -8.817 -1.456 1.00 0.00 O ATOM 699 CB GLU A 45 -3.561 -10.828 1.052 1.00 0.00 C ATOM 700 CG GLU A 45 -3.137 -12.282 1.341 1.00 0.00 C ATOM 701 CD GLU A 45 -2.572 -12.558 2.718 1.00 0.00 C ATOM 702 OE1 GLU A 45 -3.257 -12.904 3.677 1.00 0.00 O ATOM 703 OE2 GLU A 45 -1.223 -12.387 2.770 1.00 0.00 O ATOM 0 H GLU A 45 -2.245 -9.645 2.831 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.616 -10.355 0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.104 -10.449 1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.259 -10.833 0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.003 -12.926 1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.392 -12.574 0.601 1.00 0.00 H new ATOM 711 N HIS A 46 -3.558 -7.645 0.244 1.00 0.00 N ATOM 712 CA HIS A 46 -3.787 -6.407 -0.557 1.00 0.00 C ATOM 713 C HIS A 46 -2.477 -5.673 -1.029 1.00 0.00 C ATOM 714 O HIS A 46 -2.392 -5.320 -2.203 1.00 0.00 O ATOM 715 CB HIS A 46 -4.693 -5.416 0.208 1.00 0.00 C ATOM 716 CG HIS A 46 -6.134 -5.883 0.427 1.00 0.00 C ATOM 717 ND1 HIS A 46 -7.040 -6.090 -0.602 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.726 -6.171 1.666 1.00 0.00 C ATOM 719 CE1 HIS A 46 -8.120 -6.505 0.127 1.00 0.00 C ATOM 720 NE2 HIS A 46 -8.029 -6.583 1.488 1.00 0.00 N ATOM 0 H HIS A 46 -3.931 -7.603 1.193 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.282 -6.752 -1.465 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.243 -5.213 1.180 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.713 -4.472 -0.337 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.232 -6.083 2.622 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.041 -6.770 -0.371 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.727 -6.866 2.176 1.00 0.00 H new ATOM 728 N LEU A 47 -1.473 -5.494 -0.158 1.00 0.00 N ATOM 729 CA LEU A 47 -0.114 -5.012 -0.552 1.00 0.00 C ATOM 730 C LEU A 47 0.591 -5.808 -1.721 1.00 0.00 C ATOM 731 O LEU A 47 1.036 -5.199 -2.695 1.00 0.00 O ATOM 732 CB LEU A 47 0.741 -5.000 0.747 1.00 0.00 C ATOM 733 CG LEU A 47 1.886 -3.967 0.783 1.00 0.00 C ATOM 734 CD1 LEU A 47 1.347 -2.573 1.132 1.00 0.00 C ATOM 735 CD2 LEU A 47 2.916 -4.375 1.849 1.00 0.00 C ATOM 0 H LEU A 47 -1.566 -5.675 0.841 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.219 -4.019 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.080 -4.813 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.167 -5.993 0.889 1.00 0.00 H new ATOM 0 HG LEU A 47 2.351 -3.938 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.170 -1.859 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.619 -2.266 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.868 -2.603 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.724 -3.644 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.433 -4.414 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.322 -5.357 1.606 1.00 0.00 H new ATOM 747 N LYS A 48 0.624 -7.145 -1.639 1.00 0.00 N ATOM 748 CA LYS A 48 1.051 -8.040 -2.750 1.00 0.00 C ATOM 749 C LYS A 48 0.187 -7.958 -4.064 1.00 0.00 C ATOM 750 O LYS A 48 0.760 -7.844 -5.150 1.00 0.00 O ATOM 751 CB LYS A 48 1.066 -9.501 -2.220 1.00 0.00 C ATOM 752 CG LYS A 48 2.201 -9.814 -1.227 1.00 0.00 C ATOM 753 CD LYS A 48 2.031 -11.165 -0.511 1.00 0.00 C ATOM 754 CE LYS A 48 2.180 -12.388 -1.416 1.00 0.00 C ATOM 755 NZ LYS A 48 2.056 -13.614 -0.603 1.00 0.00 N ATOM 0 H LYS A 48 0.354 -7.651 -0.796 1.00 0.00 H new ATOM 0 HA LYS A 48 2.040 -7.696 -3.053 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.111 -9.707 -1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.147 -10.180 -3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.152 -9.811 -1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.251 -9.020 -0.482 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.766 -11.231 0.291 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.046 -11.193 -0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.416 -12.375 -2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.147 -12.367 -1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.157 -14.448 -1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.800 -13.626 0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.123 -13.633 -0.143 1.00 0.00 H new ATOM 768 N ALA A 49 -1.153 -7.982 -3.968 1.00 0.00 N ATOM 769 CA ALA A 49 -2.050 -7.688 -5.115 1.00 0.00 C ATOM 770 C ALA A 49 -1.887 -6.290 -5.810 1.00 0.00 C ATOM 771 O ALA A 49 -1.966 -6.216 -7.033 1.00 0.00 O ATOM 772 CB ALA A 49 -3.486 -7.900 -4.610 1.00 0.00 C ATOM 0 H ALA A 49 -1.648 -8.203 -3.104 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.772 -8.367 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.189 -7.696 -5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.606 -8.931 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.683 -7.224 -3.778 1.00 0.00 H new ATOM 778 N LEU A 50 -1.629 -5.217 -5.060 1.00 0.00 N ATOM 779 CA LEU A 50 -1.242 -3.895 -5.622 1.00 0.00 C ATOM 780 C LEU A 50 0.155 -3.823 -6.346 1.00 0.00 C ATOM 781 O LEU A 50 0.256 -3.150 -7.374 1.00 0.00 O ATOM 782 CB LEU A 50 -1.295 -2.867 -4.470 1.00 0.00 C ATOM 783 CG LEU A 50 -2.686 -2.560 -3.878 1.00 0.00 C ATOM 784 CD1 LEU A 50 -2.486 -1.783 -2.571 1.00 0.00 C ATOM 785 CD2 LEU A 50 -3.561 -1.766 -4.841 1.00 0.00 C ATOM 0 H LEU A 50 -1.679 -5.227 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.954 -3.682 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.654 -3.226 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.864 -1.932 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.206 -3.500 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.457 -1.553 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.906 -2.387 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.953 -0.855 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.530 -1.575 -4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.077 -0.818 -5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.703 -2.337 -5.759 1.00 0.00 H new ATOM 797 N ALA A 51 1.194 -4.517 -5.855 1.00 0.00 N ATOM 798 CA ALA A 51 2.422 -4.782 -6.654 1.00 0.00 C ATOM 799 C ALA A 51 2.215 -5.593 -7.985 1.00 0.00 C ATOM 800 O ALA A 51 2.739 -5.182 -9.021 1.00 0.00 O ATOM 801 CB ALA A 51 3.427 -5.448 -5.704 1.00 0.00 C ATOM 0 H ALA A 51 1.218 -4.907 -4.913 1.00 0.00 H new ATOM 0 HA ALA A 51 2.794 -3.831 -7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.349 -5.664 -6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.642 -4.777 -4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.005 -6.377 -5.321 1.00 0.00 H new ATOM 807 N ARG A 52 1.402 -6.664 -7.972 1.00 0.00 N ATOM 808 CA ARG A 52 0.857 -7.299 -9.214 1.00 0.00 C ATOM 809 C ARG A 52 0.088 -6.345 -10.204 1.00 0.00 C ATOM 810 O ARG A 52 0.332 -6.426 -11.409 1.00 0.00 O ATOM 811 CB ARG A 52 -0.009 -8.491 -8.725 1.00 0.00 C ATOM 812 CG ARG A 52 -0.649 -9.361 -9.823 1.00 0.00 C ATOM 813 CD ARG A 52 -1.739 -10.282 -9.244 1.00 0.00 C ATOM 814 NE ARG A 52 -2.584 -10.848 -10.323 1.00 0.00 N ATOM 815 CZ ARG A 52 -3.604 -10.233 -10.910 1.00 0.00 C ATOM 816 NH1 ARG A 52 -3.985 -9.018 -10.638 1.00 0.00 N ATOM 817 NH2 ARG A 52 -4.250 -10.882 -11.816 1.00 0.00 N ATOM 0 H ARG A 52 1.098 -7.121 -7.112 1.00 0.00 H new ATOM 0 HA ARG A 52 1.688 -7.618 -9.843 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.612 -9.132 -8.099 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.804 -8.099 -8.091 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.082 -8.720 -10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.120 -9.964 -10.307 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.275 -11.090 -8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.361 -9.721 -8.546 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.363 -11.791 -10.642 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.489 -8.474 -9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.780 -8.610 -11.131 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.972 -11.833 -12.059 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.040 -10.445 -12.291 1.00 0.00 H new ATOM 830 N LYS A 53 -0.794 -5.453 -9.724 1.00 0.00 N ATOM 831 CA LYS A 53 -1.407 -4.391 -10.574 1.00 0.00 C ATOM 832 C LYS A 53 -0.449 -3.243 -11.120 1.00 0.00 C ATOM 833 O LYS A 53 -0.911 -2.428 -11.918 1.00 0.00 O ATOM 834 CB LYS A 53 -2.566 -3.703 -9.790 1.00 0.00 C ATOM 835 CG LYS A 53 -3.765 -4.558 -9.363 1.00 0.00 C ATOM 836 CD LYS A 53 -4.619 -5.103 -10.513 1.00 0.00 C ATOM 837 CE LYS A 53 -5.785 -5.941 -9.970 1.00 0.00 C ATOM 838 NZ LYS A 53 -6.562 -6.496 -11.094 1.00 0.00 N ATOM 0 H LYS A 53 -1.106 -5.437 -8.753 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.734 -4.938 -11.459 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.140 -3.256 -8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.943 -2.885 -10.404 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.400 -5.398 -8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.402 -3.962 -8.709 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.005 -4.277 -11.110 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.003 -5.713 -11.174 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.405 -6.748 -9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.427 -5.325 -9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.351 -7.063 -10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.937 -5.719 -11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.947 -7.098 -11.677 1.00 0.00 H new ATOM 851 N GLY A 54 0.822 -3.164 -10.702 1.00 0.00 N ATOM 852 CA GLY A 54 1.751 -2.089 -11.139 1.00 0.00 C ATOM 853 C GLY A 54 1.625 -0.687 -10.501 1.00 0.00 C ATOM 854 O GLY A 54 1.980 0.299 -11.149 1.00 0.00 O ATOM 0 H GLY A 54 1.242 -3.833 -10.057 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.768 -2.441 -10.963 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.636 -1.972 -12.217 1.00 0.00 H new ATOM 858 N VAL A 55 1.187 -0.609 -9.240 1.00 0.00 N ATOM 859 CA VAL A 55 1.004 0.681 -8.515 1.00 0.00 C ATOM 860 C VAL A 55 2.009 0.945 -7.329 1.00 0.00 C ATOM 861 O VAL A 55 2.237 2.113 -7.003 1.00 0.00 O ATOM 862 CB VAL A 55 -0.464 0.923 -8.046 1.00 0.00 C ATOM 863 CG1 VAL A 55 -1.465 1.014 -9.207 1.00 0.00 C ATOM 864 CG2 VAL A 55 -1.019 -0.046 -7.002 1.00 0.00 C ATOM 0 H VAL A 55 0.946 -1.429 -8.683 1.00 0.00 H new ATOM 0 HA VAL A 55 1.249 1.416 -9.282 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.366 1.889 -7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.467 1.183 -8.811 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.189 1.841 -9.861 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.451 0.083 -9.773 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.046 0.229 -6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.999 -1.060 -7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.409 0.002 -6.100 1.00 0.00 H new ATOM 874 N ILE A 56 2.586 -0.090 -6.699 1.00 0.00 N ATOM 875 CA ILE A 56 3.575 0.068 -5.596 1.00 0.00 C ATOM 876 C ILE A 56 4.780 -0.921 -5.768 1.00 0.00 C ATOM 877 O ILE A 56 4.599 -2.133 -5.912 1.00 0.00 O ATOM 878 CB ILE A 56 2.962 -0.048 -4.143 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.135 -1.330 -3.904 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.142 1.221 -3.823 1.00 0.00 C ATOM 881 CD1 ILE A 56 1.775 -1.620 -2.449 1.00 0.00 C ATOM 0 H ILE A 56 2.387 -1.063 -6.932 1.00 0.00 H new ATOM 0 HA ILE A 56 3.934 1.094 -5.683 1.00 0.00 H new ATOM 0 HB ILE A 56 3.802 -0.128 -3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.213 -1.259 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.693 -2.180 -4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.720 1.139 -2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.791 2.096 -3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.335 1.326 -4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.195 -2.541 -2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.688 -1.730 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.185 -0.796 -2.049 1.00 0.00 H new ATOM 893 N GLU A 57 6.010 -0.397 -5.704 1.00 0.00 N ATOM 894 CA GLU A 57 7.235 -1.231 -5.663 1.00 0.00 C ATOM 895 C GLU A 57 7.632 -1.550 -4.192 1.00 0.00 C ATOM 896 O GLU A 57 8.164 -0.698 -3.474 1.00 0.00 O ATOM 897 CB GLU A 57 8.349 -0.479 -6.435 1.00 0.00 C ATOM 898 CG GLU A 57 9.717 -1.194 -6.520 1.00 0.00 C ATOM 899 CD GLU A 57 9.715 -2.528 -7.250 1.00 0.00 C ATOM 900 OE1 GLU A 57 9.741 -2.619 -8.472 1.00 0.00 O ATOM 901 OE2 GLU A 57 9.671 -3.597 -6.399 1.00 0.00 O ATOM 0 H GLU A 57 6.192 0.606 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 57 7.066 -2.195 -6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.997 -0.290 -7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.498 0.492 -5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.424 -0.529 -7.016 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.087 -1.355 -5.507 1.00 0.00 H new ATOM 909 N ILE A 58 7.425 -2.805 -3.787 1.00 0.00 N ATOM 910 CA ILE A 58 7.918 -3.328 -2.476 1.00 0.00 C ATOM 911 C ILE A 58 9.441 -3.699 -2.650 1.00 0.00 C ATOM 912 O ILE A 58 9.808 -4.474 -3.539 1.00 0.00 O ATOM 913 CB ILE A 58 7.052 -4.551 -1.996 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.528 -4.227 -1.886 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.532 -5.055 -0.607 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.631 -5.469 -1.867 1.00 0.00 C ATOM 0 H ILE A 58 6.917 -3.495 -4.341 1.00 0.00 H new ATOM 0 HA ILE A 58 7.820 -2.572 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 58 7.187 -5.316 -2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.353 -3.650 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.239 -3.595 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.919 -5.901 -0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.574 -5.367 -0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.440 -4.251 0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.588 -5.163 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.775 -6.036 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.891 -6.093 -1.012 1.00 0.00 H new ATOM 928 N VAL A 59 10.310 -3.093 -1.841 1.00 0.00 N ATOM 929 CA VAL A 59 11.789 -3.172 -2.030 1.00 0.00 C ATOM 930 C VAL A 59 12.389 -4.284 -1.106 1.00 0.00 C ATOM 931 O VAL A 59 12.281 -4.220 0.123 1.00 0.00 O ATOM 932 CB VAL A 59 12.441 -1.770 -1.738 1.00 0.00 C ATOM 933 CG1 VAL A 59 13.977 -1.765 -1.938 1.00 0.00 C ATOM 934 CG2 VAL A 59 11.898 -0.636 -2.642 1.00 0.00 C ATOM 0 H VAL A 59 10.028 -2.533 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 59 12.010 -3.439 -3.063 1.00 0.00 H new ATOM 0 HB VAL A 59 12.178 -1.590 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.369 -0.771 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.434 -2.490 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.211 -2.031 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.391 0.302 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.096 -0.877 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.823 -0.534 -2.491 1.00 0.00 H new ATOM 944 N SER A 60 13.091 -5.259 -1.699 1.00 0.00 N ATOM 945 CA SER A 60 13.843 -6.288 -0.930 1.00 0.00 C ATOM 946 C SER A 60 15.213 -5.747 -0.387 1.00 0.00 C ATOM 947 O SER A 60 16.265 -5.902 -1.011 1.00 0.00 O ATOM 948 CB SER A 60 14.037 -7.527 -1.845 1.00 0.00 C ATOM 949 OG SER A 60 12.798 -8.095 -2.275 1.00 0.00 O ATOM 0 H SER A 60 13.160 -5.366 -2.711 1.00 0.00 H new ATOM 0 HA SER A 60 13.270 -6.565 -0.045 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.623 -7.240 -2.718 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.612 -8.283 -1.309 1.00 0.00 H new ATOM 0 HG SER A 60 12.975 -8.870 -2.849 1.00 0.00 H new ATOM 955 N GLY A 61 15.167 -5.082 0.775 1.00 0.00 N ATOM 956 CA GLY A 61 16.352 -4.385 1.337 1.00 0.00 C ATOM 957 C GLY A 61 16.026 -3.201 2.262 1.00 0.00 C ATOM 958 O GLY A 61 16.361 -3.232 3.447 1.00 0.00 O ATOM 0 H GLY A 61 14.328 -5.007 1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 61 16.951 -5.107 1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.969 -4.025 0.513 1.00 0.00 H new ATOM 962 N ALA A 62 15.401 -2.151 1.716 1.00 0.00 N ATOM 963 CA ALA A 62 15.000 -0.962 2.504 1.00 0.00 C ATOM 964 C ALA A 62 13.725 -1.193 3.375 1.00 0.00 C ATOM 965 O ALA A 62 12.659 -1.532 2.854 1.00 0.00 O ATOM 966 CB ALA A 62 14.785 0.175 1.488 1.00 0.00 C ATOM 0 H ALA A 62 15.158 -2.094 0.727 1.00 0.00 H new ATOM 0 HA ALA A 62 15.781 -0.721 3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 62 14.486 1.082 2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.713 0.359 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.004 -0.110 0.783 1.00 0.00 H new ATOM 972 N SER A 63 13.842 -0.980 4.696 1.00 0.00 N ATOM 973 CA SER A 63 12.723 -1.222 5.653 1.00 0.00 C ATOM 974 C SER A 63 11.444 -0.356 5.421 1.00 0.00 C ATOM 975 O SER A 63 10.385 -0.929 5.154 1.00 0.00 O ATOM 976 CB SER A 63 13.259 -1.099 7.101 1.00 0.00 C ATOM 977 OG SER A 63 14.332 -2.007 7.362 1.00 0.00 O ATOM 0 H SER A 63 14.697 -0.640 5.137 1.00 0.00 H new ATOM 0 HA SER A 63 12.370 -2.237 5.468 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.600 -0.078 7.274 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.447 -1.288 7.804 1.00 0.00 H new ATOM 0 HG SER A 63 14.639 -1.893 8.286 1.00 0.00 H new ATOM 983 N ARG A 64 11.549 0.988 5.423 1.00 0.00 N ATOM 984 CA ARG A 64 10.518 1.854 4.784 1.00 0.00 C ATOM 985 C ARG A 64 10.763 1.943 3.229 1.00 0.00 C ATOM 986 O ARG A 64 11.317 2.914 2.708 1.00 0.00 O ATOM 987 CB ARG A 64 10.469 3.251 5.454 1.00 0.00 C ATOM 988 CG ARG A 64 9.854 3.266 6.870 1.00 0.00 C ATOM 989 CD ARG A 64 9.622 4.696 7.372 1.00 0.00 C ATOM 990 NE ARG A 64 8.927 4.685 8.684 1.00 0.00 N ATOM 991 CZ ARG A 64 7.633 4.881 8.881 1.00 0.00 C ATOM 992 NH1 ARG A 64 6.753 5.039 7.939 1.00 0.00 N ATOM 993 NH2 ARG A 64 7.219 4.918 10.101 1.00 0.00 N ATOM 0 H ARG A 64 12.322 1.498 5.851 1.00 0.00 H new ATOM 0 HA ARG A 64 9.538 1.401 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.482 3.649 5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.896 3.925 4.817 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.908 2.725 6.862 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.515 2.741 7.560 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.577 5.214 7.465 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.028 5.250 6.645 1.00 0.00 H new ATOM 0 HE ARG A 64 9.500 4.510 9.510 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.043 5.017 6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.772 5.186 8.177 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.881 4.799 10.868 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.230 5.067 10.300 1.00 0.00 H new ATOM 1006 N GLY A 65 10.330 0.891 2.522 1.00 0.00 N ATOM 1007 CA GLY A 65 10.528 0.759 1.059 1.00 0.00 C ATOM 1008 C GLY A 65 9.312 0.186 0.312 1.00 0.00 C ATOM 1009 O GLY A 65 9.365 -0.924 -0.214 1.00 0.00 O ATOM 0 H GLY A 65 9.833 0.105 2.940 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.767 1.739 0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.390 0.117 0.876 1.00 0.00 H new ATOM 1013 N ILE A 66 8.232 0.962 0.259 1.00 0.00 N ATOM 1014 CA ILE A 66 6.999 0.622 -0.511 1.00 0.00 C ATOM 1015 C ILE A 66 6.648 1.929 -1.319 1.00 0.00 C ATOM 1016 O ILE A 66 5.905 2.786 -0.832 1.00 0.00 O ATOM 1017 CB ILE A 66 5.832 0.150 0.435 1.00 0.00 C ATOM 1018 CG1 ILE A 66 6.180 -1.102 1.293 1.00 0.00 C ATOM 1019 CG2 ILE A 66 4.561 -0.177 -0.390 1.00 0.00 C ATOM 1020 CD1 ILE A 66 5.329 -1.228 2.562 1.00 0.00 C ATOM 0 H ILE A 66 8.170 1.855 0.747 1.00 0.00 H new ATOM 0 HA ILE A 66 7.153 -0.222 -1.184 1.00 0.00 H new ATOM 0 HB ILE A 66 5.663 0.985 1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.048 -1.997 0.686 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.232 -1.060 1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.765 -0.501 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.239 0.713 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.783 -0.973 -1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.625 -2.122 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.480 -0.350 3.190 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.276 -1.302 2.288 1.00 0.00 H new ATOM 1032 N ARG A 67 7.239 2.108 -2.510 1.00 0.00 N ATOM 1033 CA ARG A 67 7.211 3.416 -3.228 1.00 0.00 C ATOM 1034 C ARG A 67 6.311 3.415 -4.504 1.00 0.00 C ATOM 1035 O ARG A 67 5.995 2.379 -5.089 1.00 0.00 O ATOM 1036 CB ARG A 67 8.667 3.876 -3.527 1.00 0.00 C ATOM 1037 CG ARG A 67 9.381 4.413 -2.267 1.00 0.00 C ATOM 1038 CD ARG A 67 10.664 5.189 -2.582 1.00 0.00 C ATOM 1039 NE ARG A 67 11.260 5.723 -1.331 1.00 0.00 N ATOM 1040 CZ ARG A 67 10.924 6.853 -0.723 1.00 0.00 C ATOM 1041 NH1 ARG A 67 9.975 7.652 -1.116 1.00 0.00 N ATOM 1042 NH2 ARG A 67 11.573 7.175 0.343 1.00 0.00 N ATOM 0 H ARG A 67 7.744 1.373 -3.005 1.00 0.00 H new ATOM 0 HA ARG A 67 6.738 4.143 -2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.234 3.039 -3.935 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.651 4.652 -4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.697 5.062 -1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.622 3.577 -1.610 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.378 4.537 -3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.444 6.008 -3.267 1.00 0.00 H new ATOM 0 HE ARG A 67 11.998 5.168 -0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.429 7.425 -1.947 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.777 8.505 -0.593 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.316 6.568 0.691 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.344 8.036 0.839 1.00 0.00 H new ATOM 1055 N LEU A 68 5.868 4.610 -4.906 1.00 0.00 N ATOM 1056 CA LEU A 68 4.711 4.777 -5.817 1.00 0.00 C ATOM 1057 C LEU A 68 5.062 4.633 -7.340 1.00 0.00 C ATOM 1058 O LEU A 68 5.693 5.509 -7.936 1.00 0.00 O ATOM 1059 CB LEU A 68 4.094 6.184 -5.556 1.00 0.00 C ATOM 1060 CG LEU A 68 3.553 6.479 -4.139 1.00 0.00 C ATOM 1061 CD1 LEU A 68 3.135 7.957 -4.059 1.00 0.00 C ATOM 1062 CD2 LEU A 68 2.356 5.602 -3.774 1.00 0.00 C ATOM 0 H LEU A 68 6.293 5.491 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 68 4.009 3.972 -5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.853 6.931 -5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.278 6.329 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 68 4.351 6.257 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.752 8.173 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.998 8.591 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.358 8.156 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.016 5.851 -2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.547 5.776 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.650 4.553 -3.809 1.00 0.00 H new ATOM 1074 N LEU A 69 4.588 3.552 -7.964 1.00 0.00 N ATOM 1075 CA LEU A 69 4.581 3.405 -9.449 1.00 0.00 C ATOM 1076 C LEU A 69 3.372 4.097 -10.206 1.00 0.00 C ATOM 1077 O LEU A 69 3.511 4.450 -11.377 1.00 0.00 O ATOM 1078 CB LEU A 69 4.625 1.901 -9.824 1.00 0.00 C ATOM 1079 CG LEU A 69 5.847 1.079 -9.357 1.00 0.00 C ATOM 1080 CD1 LEU A 69 5.578 -0.413 -9.622 1.00 0.00 C ATOM 1081 CD2 LEU A 69 7.135 1.490 -10.074 1.00 0.00 C ATOM 0 H LEU A 69 4.197 2.749 -7.471 1.00 0.00 H new ATOM 0 HA LEU A 69 5.471 3.936 -9.786 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.729 1.429 -9.421 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.564 1.824 -10.910 1.00 0.00 H new ATOM 0 HG LEU A 69 5.987 1.270 -8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.436 -1.001 -9.295 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.692 -0.727 -9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.416 -0.570 -10.688 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.964 0.883 -9.710 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.018 1.339 -11.147 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.342 2.542 -9.876 1.00 0.00 H new