USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 579 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= -0.0321 (180deg=-0.539) USER MOD Single : A 4 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.0283) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -2.28! K(o=-2.3!,f=-1.3) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 62 ASN : amide:sc= -0.145 K(o=-0.15,f=-3.7!) USER MOD Single : A 72 THR OG1 : rot -42:sc= 0.629 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.920 -9.349 4.208 1.00 0.00 N ATOM 2 CA MET A 1 0.518 -9.413 3.707 1.00 0.00 C ATOM 3 C MET A 1 -0.346 -8.322 4.345 1.00 0.00 C ATOM 4 O MET A 1 -1.501 -8.562 4.711 1.00 0.00 O ATOM 5 CB MET A 1 -0.051 -10.803 4.030 1.00 0.00 C ATOM 6 CG MET A 1 -0.707 -11.492 2.844 1.00 0.00 C ATOM 7 SD MET A 1 -1.146 -13.204 3.201 1.00 0.00 S ATOM 8 CE MET A 1 -1.779 -13.736 1.611 1.00 0.00 C ATOM 0 H1 MET A 1 2.395 -10.257 4.028 1.00 0.00 H new ATOM 0 H2 MET A 1 2.430 -8.588 3.716 1.00 0.00 H new ATOM 0 H3 MET A 1 1.915 -9.158 5.230 1.00 0.00 H new ATOM 0 HA MET A 1 0.511 -9.246 2.630 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.753 -11.436 4.406 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.783 -10.708 4.832 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.603 -10.942 2.558 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.030 -11.464 1.990 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.091 -14.778 1.674 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.633 -13.118 1.334 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.998 -13.636 0.857 1.00 0.00 H new ATOM 20 N GLU A 2 0.221 -7.123 4.482 1.00 0.00 N ATOM 21 CA GLU A 2 -0.490 -5.999 5.082 1.00 0.00 C ATOM 22 C GLU A 2 -0.075 -4.680 4.430 1.00 0.00 C ATOM 23 O GLU A 2 0.940 -4.618 3.740 1.00 0.00 O ATOM 24 CB GLU A 2 -0.223 -5.950 6.590 1.00 0.00 C ATOM 25 CG GLU A 2 1.227 -6.214 6.964 1.00 0.00 C ATOM 26 CD GLU A 2 1.549 -5.779 8.382 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.122 -4.674 8.781 1.00 0.00 O ATOM 28 OE2 GLU A 2 2.227 -6.546 9.096 1.00 0.00 O ATOM 0 H GLU A 2 1.172 -6.907 4.184 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.558 -6.141 4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.514 -4.971 6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.856 -6.685 7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.439 -7.278 6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.880 -5.687 6.268 1.00 0.00 H new ATOM 35 N TRP A 3 -0.871 -3.634 4.655 1.00 0.00 N ATOM 36 CA TRP A 3 -0.600 -2.313 4.094 1.00 0.00 C ATOM 37 C TRP A 3 -1.083 -1.230 5.054 1.00 0.00 C ATOM 38 O TRP A 3 -2.272 -1.144 5.352 1.00 0.00 O ATOM 39 CB TRP A 3 -1.310 -2.141 2.742 1.00 0.00 C ATOM 40 CG TRP A 3 -0.791 -3.025 1.645 1.00 0.00 C ATOM 41 CD1 TRP A 3 -0.989 -4.370 1.508 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.001 -2.621 0.519 1.00 0.00 C ATOM 43 NE1 TRP A 3 -0.365 -4.827 0.372 1.00 0.00 N ATOM 44 CE2 TRP A 3 0.248 -3.774 -0.254 1.00 0.00 C ATOM 45 CE3 TRP A 3 0.522 -1.399 0.087 1.00 0.00 C ATOM 46 CZ2 TRP A 3 0.994 -3.737 -1.428 1.00 0.00 C ATOM 47 CZ3 TRP A 3 1.263 -1.364 -1.079 1.00 0.00 C ATOM 48 CH2 TRP A 3 1.492 -2.526 -1.826 1.00 0.00 C ATOM 0 H TRP A 3 -1.715 -3.679 5.227 1.00 0.00 H new ATOM 0 HA TRP A 3 0.476 -2.221 3.945 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.373 -2.339 2.877 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.217 -1.102 2.427 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -1.554 -4.985 2.193 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.359 -5.794 0.047 1.00 0.00 H new ATOM 0 HE3 TRP A 3 0.350 -0.497 0.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.174 -4.632 -2.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.672 -0.425 -1.420 1.00 0.00 H new ATOM 0 HH2 TRP A 3 2.073 -2.465 -2.734 1.00 0.00 H new ATOM 59 N LYS A 4 -0.160 -0.401 5.531 1.00 0.00 N ATOM 60 CA LYS A 4 -0.504 0.679 6.452 1.00 0.00 C ATOM 61 C LYS A 4 -0.452 2.021 5.732 1.00 0.00 C ATOM 62 O LYS A 4 0.413 2.240 4.887 1.00 0.00 O ATOM 63 CB LYS A 4 0.453 0.685 7.646 1.00 0.00 C ATOM 64 CG LYS A 4 0.230 -0.466 8.615 1.00 0.00 C ATOM 65 CD LYS A 4 1.005 -0.260 9.908 1.00 0.00 C ATOM 66 CE LYS A 4 0.800 -1.413 10.878 1.00 0.00 C ATOM 67 NZ LYS A 4 -0.071 -1.031 12.027 1.00 0.00 N ATOM 0 H LYS A 4 0.831 -0.455 5.296 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.518 0.515 6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.478 0.645 7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.343 1.627 8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.833 -0.556 8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.539 -1.401 8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.067 -0.158 9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.688 0.671 10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.354 -2.256 10.350 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.767 -1.748 11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.642 -1.850 12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.521 -0.722 12.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.701 -0.254 11.742 1.00 0.00 H new ATOM 81 N LEU A 5 -1.383 2.919 6.055 1.00 0.00 N ATOM 82 CA LEU A 5 -1.421 4.230 5.411 1.00 0.00 C ATOM 83 C LEU A 5 -1.574 5.351 6.437 1.00 0.00 C ATOM 84 O LEU A 5 -2.260 5.194 7.447 1.00 0.00 O ATOM 85 CB LEU A 5 -2.567 4.283 4.396 1.00 0.00 C ATOM 86 CG LEU A 5 -2.375 5.282 3.251 1.00 0.00 C ATOM 87 CD1 LEU A 5 -1.203 4.871 2.371 1.00 0.00 C ATOM 88 CD2 LEU A 5 -3.649 5.395 2.426 1.00 0.00 C ATOM 0 H LEU A 5 -2.113 2.765 6.751 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.474 4.378 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.702 3.288 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.488 4.531 4.924 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.153 6.259 3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.083 5.593 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.292 4.841 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.393 3.884 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.496 6.109 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.899 4.420 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.465 5.737 3.062 1.00 0.00 H new ATOM 100 N PHE A 6 -0.929 6.487 6.168 1.00 0.00 N ATOM 101 CA PHE A 6 -0.995 7.639 7.065 1.00 0.00 C ATOM 102 C PHE A 6 -2.262 8.459 6.822 1.00 0.00 C ATOM 103 O PHE A 6 -3.006 8.208 5.870 1.00 0.00 O ATOM 104 CB PHE A 6 0.243 8.526 6.889 1.00 0.00 C ATOM 105 CG PHE A 6 0.895 8.912 8.187 1.00 0.00 C ATOM 106 CD1 PHE A 6 1.645 7.990 8.900 1.00 0.00 C ATOM 107 CD2 PHE A 6 0.759 10.194 8.694 1.00 0.00 C ATOM 108 CE1 PHE A 6 2.246 8.340 10.094 1.00 0.00 C ATOM 109 CE2 PHE A 6 1.358 10.550 9.887 1.00 0.00 C ATOM 110 CZ PHE A 6 2.104 9.621 10.588 1.00 0.00 C ATOM 0 H PHE A 6 -0.356 6.633 5.337 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.022 7.263 8.088 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.970 8.002 6.268 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.042 9.431 6.352 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.761 6.987 8.518 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.178 10.924 8.150 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.827 7.612 10.640 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.244 11.553 10.271 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.575 9.897 11.520 1.00 0.00 H new ATOM 120 N ALA A 7 -2.500 9.444 7.692 1.00 0.00 N ATOM 121 CA ALA A 7 -3.674 10.310 7.581 1.00 0.00 C ATOM 122 C ALA A 7 -3.627 11.182 6.323 1.00 0.00 C ATOM 123 O ALA A 7 -4.663 11.658 5.860 1.00 0.00 O ATOM 124 CB ALA A 7 -3.811 11.182 8.820 1.00 0.00 C ATOM 0 H ALA A 7 -1.893 9.661 8.482 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.547 9.663 7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.689 11.820 8.721 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.920 10.549 9.700 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.922 11.803 8.928 1.00 0.00 H new ATOM 130 N ASP A 8 -2.429 11.381 5.763 1.00 0.00 N ATOM 131 CA ASP A 8 -2.276 12.187 4.550 1.00 0.00 C ATOM 132 C ASP A 8 -3.218 11.690 3.452 1.00 0.00 C ATOM 133 O ASP A 8 -3.735 12.479 2.661 1.00 0.00 O ATOM 134 CB ASP A 8 -0.825 12.145 4.056 1.00 0.00 C ATOM 135 CG ASP A 8 -0.211 13.529 3.930 1.00 0.00 C ATOM 136 OD1 ASP A 8 -0.796 14.376 3.224 1.00 0.00 O ATOM 137 OD2 ASP A 8 0.854 13.761 4.538 1.00 0.00 O ATOM 0 H ASP A 8 -1.557 10.997 6.128 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.534 13.218 4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.228 11.548 4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.789 11.646 3.088 1.00 0.00 H new ATOM 142 N LEU A 9 -3.434 10.377 3.421 1.00 0.00 N ATOM 143 CA LEU A 9 -4.314 9.752 2.436 1.00 0.00 C ATOM 144 C LEU A 9 -5.556 9.160 3.108 1.00 0.00 C ATOM 145 O LEU A 9 -6.660 9.232 2.566 1.00 0.00 O ATOM 146 CB LEU A 9 -3.552 8.665 1.680 1.00 0.00 C ATOM 147 CG LEU A 9 -2.233 9.122 1.048 1.00 0.00 C ATOM 148 CD1 LEU A 9 -1.066 8.877 1.995 1.00 0.00 C ATOM 149 CD2 LEU A 9 -2.004 8.414 -0.278 1.00 0.00 C ATOM 0 H LEU A 9 -3.007 9.720 4.074 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.644 10.516 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.344 7.844 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.196 8.269 0.895 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.298 10.194 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.140 9.209 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.224 9.434 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.997 7.813 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.063 8.751 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.963 7.337 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.822 8.646 -0.960 1.00 0.00 H new ATOM 161 N ALA A 10 -5.376 8.580 4.298 1.00 0.00 N ATOM 162 CA ALA A 10 -6.489 7.983 5.040 1.00 0.00 C ATOM 163 C ALA A 10 -7.533 9.027 5.457 1.00 0.00 C ATOM 164 O ALA A 10 -8.634 8.670 5.875 1.00 0.00 O ATOM 165 CB ALA A 10 -5.972 7.241 6.263 1.00 0.00 C ATOM 0 H ALA A 10 -4.473 8.511 4.767 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.982 7.278 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.811 6.803 6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.291 6.451 5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.444 7.937 6.915 1.00 0.00 H new ATOM 171 N GLU A 11 -7.185 10.311 5.347 1.00 0.00 N ATOM 172 CA GLU A 11 -8.098 11.391 5.718 1.00 0.00 C ATOM 173 C GLU A 11 -9.139 11.657 4.624 1.00 0.00 C ATOM 174 O GLU A 11 -10.237 12.137 4.913 1.00 0.00 O ATOM 175 CB GLU A 11 -7.310 12.672 6.007 1.00 0.00 C ATOM 176 CG GLU A 11 -8.157 13.805 6.570 1.00 0.00 C ATOM 177 CD GLU A 11 -8.383 13.680 8.064 1.00 0.00 C ATOM 178 OE1 GLU A 11 -9.011 12.686 8.489 1.00 0.00 O ATOM 179 OE2 GLU A 11 -7.931 14.574 8.808 1.00 0.00 O ATOM 0 H GLU A 11 -6.278 10.627 5.004 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.629 11.078 6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.511 12.444 6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.835 13.010 5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.670 14.757 6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.121 13.820 6.061 1.00 0.00 H new ATOM 186 N VAL A 12 -8.796 11.359 3.370 1.00 0.00 N ATOM 187 CA VAL A 12 -9.717 11.589 2.255 1.00 0.00 C ATOM 188 C VAL A 12 -10.650 10.396 2.035 1.00 0.00 C ATOM 189 O VAL A 12 -11.832 10.575 1.740 1.00 0.00 O ATOM 190 CB VAL A 12 -8.964 11.898 0.944 1.00 0.00 C ATOM 191 CG1 VAL A 12 -9.928 12.372 -0.134 1.00 0.00 C ATOM 192 CG2 VAL A 12 -7.873 12.935 1.181 1.00 0.00 C ATOM 0 H VAL A 12 -7.896 10.961 3.102 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.316 12.458 2.529 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.493 10.978 0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.375 12.584 -1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.667 11.595 -0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.433 13.277 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.355 13.138 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.321 13.856 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.162 12.554 1.914 1.00 0.00 H new ATOM 202 N ALA A 13 -10.117 9.183 2.172 1.00 0.00 N ATOM 203 CA ALA A 13 -10.916 7.972 1.980 1.00 0.00 C ATOM 204 C ALA A 13 -11.439 7.415 3.304 1.00 0.00 C ATOM 205 O ALA A 13 -12.567 6.924 3.374 1.00 0.00 O ATOM 206 CB ALA A 13 -10.107 6.910 1.248 1.00 0.00 C ATOM 0 H ALA A 13 -9.141 9.012 2.414 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.779 8.247 1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.717 6.016 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.803 7.292 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.221 6.661 1.832 1.00 0.00 H new ATOM 212 N GLY A 14 -10.614 7.486 4.349 1.00 0.00 N ATOM 213 CA GLY A 14 -11.011 6.976 5.653 1.00 0.00 C ATOM 214 C GLY A 14 -10.448 5.590 5.931 1.00 0.00 C ATOM 215 O GLY A 14 -11.039 4.817 6.688 1.00 0.00 O ATOM 0 H GLY A 14 -9.677 7.888 4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.673 7.664 6.427 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.099 6.941 5.710 1.00 0.00 H new ATOM 219 N SER A 15 -9.304 5.274 5.318 1.00 0.00 N ATOM 220 CA SER A 15 -8.664 3.975 5.499 1.00 0.00 C ATOM 221 C SER A 15 -7.145 4.126 5.580 1.00 0.00 C ATOM 222 O SER A 15 -6.529 4.757 4.717 1.00 0.00 O ATOM 223 CB SER A 15 -9.039 3.036 4.351 1.00 0.00 C ATOM 224 OG SER A 15 -8.480 1.747 4.537 1.00 0.00 O ATOM 0 H SER A 15 -8.804 5.904 4.691 1.00 0.00 H new ATOM 0 HA SER A 15 -9.018 3.547 6.437 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.124 2.958 4.282 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.689 3.454 3.407 1.00 0.00 H new ATOM 0 HG SER A 15 -8.737 1.168 3.790 1.00 0.00 H new ATOM 230 N ARG A 16 -6.549 3.538 6.620 1.00 0.00 N ATOM 231 CA ARG A 16 -5.110 3.598 6.821 1.00 0.00 C ATOM 232 C ARG A 16 -4.490 2.210 6.674 1.00 0.00 C ATOM 233 O ARG A 16 -3.856 1.912 5.662 1.00 0.00 O ATOM 234 CB ARG A 16 -4.767 4.197 8.198 1.00 0.00 C ATOM 235 CG ARG A 16 -5.875 4.085 9.240 1.00 0.00 C ATOM 236 CD ARG A 16 -5.579 4.930 10.473 1.00 0.00 C ATOM 237 NE ARG A 16 -4.303 4.581 11.102 1.00 0.00 N ATOM 238 CZ ARG A 16 -3.947 4.966 12.331 1.00 0.00 C ATOM 239 NH1 ARG A 16 -4.772 5.697 13.075 1.00 0.00 N ATOM 240 NH2 ARG A 16 -2.761 4.618 12.822 1.00 0.00 N ATOM 0 H ARG A 16 -7.050 3.013 7.337 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.691 4.250 6.055 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.875 3.701 8.582 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.515 5.250 8.068 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.821 4.402 8.801 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.994 3.042 9.534 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.565 5.983 10.192 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.384 4.803 11.197 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.647 4.010 10.570 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.684 5.968 12.708 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.492 5.987 14.012 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.121 4.056 12.260 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.491 4.913 13.760 1.00 0.00 H new ATOM 254 N THR A 17 -4.674 1.361 7.687 1.00 0.00 N ATOM 255 CA THR A 17 -4.123 0.009 7.659 1.00 0.00 C ATOM 256 C THR A 17 -5.170 -1.012 7.205 1.00 0.00 C ATOM 257 O THR A 17 -6.310 -0.998 7.674 1.00 0.00 O ATOM 258 CB THR A 17 -3.565 -0.378 9.037 1.00 0.00 C ATOM 259 OG1 THR A 17 -4.597 -0.832 9.898 1.00 0.00 O ATOM 260 CG2 THR A 17 -2.852 0.759 9.746 1.00 0.00 C ATOM 0 H THR A 17 -5.198 1.586 8.532 1.00 0.00 H new ATOM 0 HA THR A 17 -3.308 0.001 6.935 1.00 0.00 H new ATOM 0 HB THR A 17 -2.844 -1.169 8.831 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.215 -1.073 10.768 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.485 0.412 10.712 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.012 1.097 9.139 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.546 1.586 9.897 1.00 0.00 H new ATOM 268 N VAL A 18 -4.768 -1.898 6.293 1.00 0.00 N ATOM 269 CA VAL A 18 -5.654 -2.934 5.766 1.00 0.00 C ATOM 270 C VAL A 18 -4.877 -4.222 5.481 1.00 0.00 C ATOM 271 O VAL A 18 -3.840 -4.194 4.813 1.00 0.00 O ATOM 272 CB VAL A 18 -6.358 -2.482 4.466 1.00 0.00 C ATOM 273 CG1 VAL A 18 -7.542 -3.386 4.150 1.00 0.00 C ATOM 274 CG2 VAL A 18 -6.805 -1.029 4.559 1.00 0.00 C ATOM 0 H VAL A 18 -3.826 -1.917 5.902 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.409 -3.117 6.530 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.637 -2.562 3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.022 -3.049 3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.193 -4.411 4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.259 -3.346 4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.297 -0.739 3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.502 -0.915 5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.937 -0.391 4.724 1.00 0.00 H new ATOM 284 N ARG A 19 -5.386 -5.348 5.982 1.00 0.00 N ATOM 285 CA ARG A 19 -4.743 -6.645 5.769 1.00 0.00 C ATOM 286 C ARG A 19 -5.456 -7.418 4.660 1.00 0.00 C ATOM 287 O ARG A 19 -6.685 -7.412 4.583 1.00 0.00 O ATOM 288 CB ARG A 19 -4.742 -7.469 7.061 1.00 0.00 C ATOM 289 CG ARG A 19 -3.624 -7.097 8.024 1.00 0.00 C ATOM 290 CD ARG A 19 -3.237 -8.271 8.912 1.00 0.00 C ATOM 291 NE ARG A 19 -4.256 -8.560 9.920 1.00 0.00 N ATOM 292 CZ ARG A 19 -4.413 -7.858 11.047 1.00 0.00 C ATOM 293 NH1 ARG A 19 -3.627 -6.816 11.309 1.00 0.00 N ATOM 294 NH2 ARG A 19 -5.365 -8.196 11.911 1.00 0.00 N ATOM 0 H ARG A 19 -6.241 -5.388 6.537 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.711 -6.466 5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.700 -7.340 7.564 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.654 -8.525 6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.753 -6.764 7.460 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.941 -6.259 8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.078 -9.155 8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.290 -8.054 9.407 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.885 -9.345 9.753 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.898 -6.548 10.648 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.754 -6.286 12.171 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.974 -8.990 11.714 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.486 -7.662 12.771 1.00 0.00 H new ATOM 308 N VAL A 20 -4.680 -8.081 3.804 1.00 0.00 N ATOM 309 CA VAL A 20 -5.244 -8.853 2.699 1.00 0.00 C ATOM 310 C VAL A 20 -5.227 -10.347 3.003 1.00 0.00 C ATOM 311 O VAL A 20 -4.166 -10.934 3.227 1.00 0.00 O ATOM 312 CB VAL A 20 -4.487 -8.600 1.377 1.00 0.00 C ATOM 313 CG1 VAL A 20 -5.215 -9.250 0.209 1.00 0.00 C ATOM 314 CG2 VAL A 20 -4.306 -7.106 1.137 1.00 0.00 C ATOM 0 H VAL A 20 -3.661 -8.099 3.854 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.275 -8.519 2.583 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.499 -9.053 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.666 -9.060 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.284 -10.325 0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.218 -8.831 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.770 -6.950 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.283 -6.626 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.735 -6.672 1.958 1.00 0.00 H new ATOM 324 N ASP A 21 -6.413 -10.954 3.007 1.00 0.00 N ATOM 325 CA ASP A 21 -6.554 -12.381 3.279 1.00 0.00 C ATOM 326 C ASP A 21 -6.999 -13.136 2.023 1.00 0.00 C ATOM 327 O ASP A 21 -6.571 -14.269 1.789 1.00 0.00 O ATOM 328 CB ASP A 21 -7.557 -12.617 4.416 1.00 0.00 C ATOM 329 CG ASP A 21 -8.646 -11.560 4.485 1.00 0.00 C ATOM 330 OD1 ASP A 21 -8.433 -10.535 5.165 1.00 0.00 O ATOM 331 OD2 ASP A 21 -9.705 -11.758 3.856 1.00 0.00 O ATOM 0 H ASP A 21 -7.294 -10.475 2.824 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.579 -12.762 3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.018 -13.596 4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.021 -12.639 5.365 1.00 0.00 H new ATOM 336 N VAL A 22 -7.858 -12.504 1.225 1.00 0.00 N ATOM 337 CA VAL A 22 -8.362 -13.112 -0.003 1.00 0.00 C ATOM 338 C VAL A 22 -7.659 -12.538 -1.236 1.00 0.00 C ATOM 339 O VAL A 22 -7.233 -11.382 -1.237 1.00 0.00 O ATOM 340 CB VAL A 22 -9.889 -12.912 -0.137 1.00 0.00 C ATOM 341 CG1 VAL A 22 -10.239 -11.431 -0.226 1.00 0.00 C ATOM 342 CG2 VAL A 22 -10.434 -13.676 -1.338 1.00 0.00 C ATOM 0 H VAL A 22 -8.220 -11.568 1.409 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.149 -14.179 0.056 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.362 -13.314 0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.319 -11.317 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.897 -10.922 0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.751 -10.994 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.510 -13.519 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.953 -13.316 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.230 -14.740 -1.216 1.00 0.00 H new ATOM 352 N ASP A 23 -7.539 -13.358 -2.282 1.00 0.00 N ATOM 353 CA ASP A 23 -6.888 -12.938 -3.521 1.00 0.00 C ATOM 354 C ASP A 23 -7.909 -12.753 -4.646 1.00 0.00 C ATOM 355 O ASP A 23 -9.057 -13.191 -4.534 1.00 0.00 O ATOM 356 CB ASP A 23 -5.831 -13.965 -3.939 1.00 0.00 C ATOM 357 CG ASP A 23 -4.705 -13.349 -4.749 1.00 0.00 C ATOM 358 OD1 ASP A 23 -3.910 -12.580 -4.170 1.00 0.00 O ATOM 359 OD2 ASP A 23 -4.620 -13.634 -5.961 1.00 0.00 O ATOM 0 H ASP A 23 -7.885 -14.317 -2.294 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.404 -11.979 -3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.416 -14.437 -3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.306 -14.752 -4.525 1.00 0.00 H new ATOM 364 N GLY A 24 -7.481 -12.106 -5.731 1.00 0.00 N ATOM 365 CA GLY A 24 -8.365 -11.878 -6.862 1.00 0.00 C ATOM 366 C GLY A 24 -7.678 -11.146 -8.003 1.00 0.00 C ATOM 367 O GLY A 24 -6.643 -11.592 -8.496 1.00 0.00 O ATOM 0 H GLY A 24 -6.537 -11.736 -5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.741 -12.835 -7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.229 -11.300 -6.533 1.00 0.00 H new ATOM 371 N ASP A 25 -8.249 -10.014 -8.423 1.00 0.00 N ATOM 372 CA ASP A 25 -7.675 -9.223 -9.510 1.00 0.00 C ATOM 373 C ASP A 25 -6.875 -8.041 -8.964 1.00 0.00 C ATOM 374 O ASP A 25 -6.839 -6.967 -9.568 1.00 0.00 O ATOM 375 CB ASP A 25 -8.780 -8.724 -10.449 1.00 0.00 C ATOM 376 CG ASP A 25 -8.317 -8.606 -11.893 1.00 0.00 C ATOM 377 OD1 ASP A 25 -7.098 -8.464 -12.123 1.00 0.00 O ATOM 378 OD2 ASP A 25 -9.179 -8.655 -12.794 1.00 0.00 O ATOM 0 H ASP A 25 -9.106 -9.627 -8.027 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.997 -9.865 -10.072 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.629 -9.406 -10.399 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.132 -7.752 -10.104 1.00 0.00 H new ATOM 383 N ALA A 26 -6.226 -8.252 -7.818 1.00 0.00 N ATOM 384 CA ALA A 26 -5.421 -7.215 -7.183 1.00 0.00 C ATOM 385 C ALA A 26 -3.958 -7.640 -7.112 1.00 0.00 C ATOM 386 O ALA A 26 -3.630 -8.663 -6.509 1.00 0.00 O ATOM 387 CB ALA A 26 -5.961 -6.910 -5.792 1.00 0.00 C ATOM 0 H ALA A 26 -6.244 -9.137 -7.311 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.481 -6.308 -7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.352 -6.134 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.992 -6.564 -5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.926 -7.813 -5.182 1.00 0.00 H new ATOM 393 N THR A 27 -3.084 -6.852 -7.740 1.00 0.00 N ATOM 394 CA THR A 27 -1.651 -7.147 -7.755 1.00 0.00 C ATOM 395 C THR A 27 -0.922 -6.382 -6.649 1.00 0.00 C ATOM 396 O THR A 27 -1.546 -5.668 -5.863 1.00 0.00 O ATOM 397 CB THR A 27 -1.044 -6.796 -9.122 1.00 0.00 C ATOM 398 OG1 THR A 27 -2.041 -6.739 -10.132 1.00 0.00 O ATOM 399 CG2 THR A 27 0.008 -7.784 -9.573 1.00 0.00 C ATOM 0 H THR A 27 -3.344 -6.005 -8.245 1.00 0.00 H new ATOM 0 HA THR A 27 -1.527 -8.215 -7.575 1.00 0.00 H new ATOM 0 HB THR A 27 -0.579 -5.820 -8.983 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.625 -6.512 -10.990 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.398 -7.481 -10.545 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.820 -7.807 -8.847 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.436 -8.776 -9.653 1.00 0.00 H new ATOM 407 N VAL A 28 0.405 -6.524 -6.605 1.00 0.00 N ATOM 408 CA VAL A 28 1.219 -5.837 -5.610 1.00 0.00 C ATOM 409 C VAL A 28 1.348 -4.367 -5.979 1.00 0.00 C ATOM 410 O VAL A 28 1.236 -3.487 -5.122 1.00 0.00 O ATOM 411 CB VAL A 28 2.630 -6.455 -5.489 1.00 0.00 C ATOM 412 CG1 VAL A 28 3.382 -5.854 -4.307 1.00 0.00 C ATOM 413 CG2 VAL A 28 2.554 -7.972 -5.363 1.00 0.00 C ATOM 0 H VAL A 28 0.935 -7.110 -7.250 1.00 0.00 H new ATOM 0 HA VAL A 28 0.719 -5.945 -4.647 1.00 0.00 H new ATOM 0 HB VAL A 28 3.179 -6.220 -6.401 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.373 -6.303 -4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.480 -4.778 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.831 -6.051 -3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.561 -8.381 -5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.981 -8.235 -4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.066 -8.386 -6.245 1.00 0.00 H new ATOM 423 N GLY A 29 1.560 -4.107 -7.269 1.00 0.00 N ATOM 424 CA GLY A 29 1.674 -2.744 -7.737 1.00 0.00 C ATOM 425 C GLY A 29 0.323 -2.054 -7.808 1.00 0.00 C ATOM 426 O GLY A 29 0.238 -0.831 -7.689 1.00 0.00 O ATOM 0 H GLY A 29 1.654 -4.819 -7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.332 -2.186 -7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.138 -2.737 -8.723 1.00 0.00 H new ATOM 430 N ASP A 30 -0.736 -2.851 -7.990 1.00 0.00 N ATOM 431 CA ASP A 30 -2.101 -2.337 -8.065 1.00 0.00 C ATOM 432 C ASP A 30 -2.405 -1.419 -6.876 1.00 0.00 C ATOM 433 O ASP A 30 -2.968 -0.336 -7.047 1.00 0.00 O ATOM 434 CB ASP A 30 -3.092 -3.508 -8.100 1.00 0.00 C ATOM 435 CG ASP A 30 -4.533 -3.077 -7.896 1.00 0.00 C ATOM 436 OD1 ASP A 30 -5.198 -2.737 -8.898 1.00 0.00 O ATOM 437 OD2 ASP A 30 -4.998 -3.085 -6.737 1.00 0.00 O ATOM 0 H ASP A 30 -0.668 -3.864 -8.089 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.204 -1.751 -8.978 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.005 -4.021 -9.058 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.822 -4.228 -7.327 1.00 0.00 H new ATOM 442 N ALA A 31 -2.018 -1.861 -5.676 1.00 0.00 N ATOM 443 CA ALA A 31 -2.232 -1.085 -4.455 1.00 0.00 C ATOM 444 C ALA A 31 -1.082 -0.109 -4.211 1.00 0.00 C ATOM 445 O ALA A 31 -1.290 0.977 -3.668 1.00 0.00 O ATOM 446 CB ALA A 31 -2.394 -2.010 -3.255 1.00 0.00 C ATOM 0 H ALA A 31 -1.553 -2.756 -5.526 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.148 -0.509 -4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.552 -1.415 -2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.252 -2.664 -3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.494 -2.614 -3.137 1.00 0.00 H new ATOM 452 N LEU A 32 0.128 -0.495 -4.620 1.00 0.00 N ATOM 453 CA LEU A 32 1.301 0.358 -4.449 1.00 0.00 C ATOM 454 C LEU A 32 1.070 1.704 -5.117 1.00 0.00 C ATOM 455 O LEU A 32 1.081 2.747 -4.458 1.00 0.00 O ATOM 456 CB LEU A 32 2.545 -0.305 -5.046 1.00 0.00 C ATOM 457 CG LEU A 32 3.876 0.148 -4.443 1.00 0.00 C ATOM 458 CD1 LEU A 32 4.884 -0.989 -4.483 1.00 0.00 C ATOM 459 CD2 LEU A 32 4.416 1.368 -5.180 1.00 0.00 C ATOM 0 H LEU A 32 0.319 -1.390 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 32 1.462 0.507 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.457 -1.384 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.564 -0.107 -6.118 1.00 0.00 H new ATOM 0 HG LEU A 32 3.706 0.428 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.827 -0.654 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.502 -1.834 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.046 -1.295 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.363 1.673 -4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.572 1.119 -6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.699 2.186 -5.104 1.00 0.00 H new ATOM 471 N ASP A 33 0.849 1.668 -6.432 1.00 0.00 N ATOM 472 CA ASP A 33 0.598 2.877 -7.208 1.00 0.00 C ATOM 473 C ASP A 33 -0.654 3.577 -6.704 1.00 0.00 C ATOM 474 O ASP A 33 -0.683 4.801 -6.593 1.00 0.00 O ATOM 475 CB ASP A 33 0.442 2.545 -8.692 1.00 0.00 C ATOM 476 CG ASP A 33 0.291 3.783 -9.562 1.00 0.00 C ATOM 477 OD1 ASP A 33 0.670 4.884 -9.111 1.00 0.00 O ATOM 478 OD2 ASP A 33 -0.209 3.651 -10.694 1.00 0.00 O ATOM 0 H ASP A 33 0.839 0.809 -6.981 1.00 0.00 H new ATOM 0 HA ASP A 33 1.453 3.542 -7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.310 1.976 -9.025 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.429 1.904 -8.826 1.00 0.00 H new ATOM 483 N ALA A 34 -1.686 2.791 -6.389 1.00 0.00 N ATOM 484 CA ALA A 34 -2.939 3.336 -5.880 1.00 0.00 C ATOM 485 C ALA A 34 -2.674 4.228 -4.674 1.00 0.00 C ATOM 486 O ALA A 34 -3.040 5.404 -4.668 1.00 0.00 O ATOM 487 CB ALA A 34 -3.904 2.215 -5.514 1.00 0.00 C ATOM 0 H ALA A 34 -1.675 1.775 -6.479 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.398 3.938 -6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.833 2.643 -5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.115 1.613 -6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.456 1.586 -4.745 1.00 0.00 H new ATOM 493 N LEU A 35 -2.014 3.660 -3.668 1.00 0.00 N ATOM 494 CA LEU A 35 -1.672 4.391 -2.453 1.00 0.00 C ATOM 495 C LEU A 35 -0.731 5.559 -2.763 1.00 0.00 C ATOM 496 O LEU A 35 -0.754 6.578 -2.077 1.00 0.00 O ATOM 497 CB LEU A 35 -1.030 3.445 -1.434 1.00 0.00 C ATOM 498 CG LEU A 35 -2.012 2.709 -0.514 1.00 0.00 C ATOM 499 CD1 LEU A 35 -3.102 2.009 -1.317 1.00 0.00 C ATOM 500 CD2 LEU A 35 -1.268 1.704 0.353 1.00 0.00 C ATOM 0 H LEU A 35 -1.704 2.688 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.589 4.800 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.438 2.705 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.339 4.018 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.490 3.448 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.782 1.496 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.656 2.746 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.648 1.283 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.976 1.188 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.763 0.977 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.531 2.225 0.963 1.00 0.00 H new ATOM 512 N VAL A 36 0.091 5.410 -3.806 1.00 0.00 N ATOM 513 CA VAL A 36 1.021 6.466 -4.196 1.00 0.00 C ATOM 514 C VAL A 36 0.279 7.624 -4.867 1.00 0.00 C ATOM 515 O VAL A 36 0.425 8.778 -4.465 1.00 0.00 O ATOM 516 CB VAL A 36 2.122 5.945 -5.150 1.00 0.00 C ATOM 517 CG1 VAL A 36 3.004 7.093 -5.622 1.00 0.00 C ATOM 518 CG2 VAL A 36 2.961 4.870 -4.470 1.00 0.00 C ATOM 0 H VAL A 36 0.129 4.574 -4.389 1.00 0.00 H new ATOM 0 HA VAL A 36 1.497 6.818 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 36 1.639 5.500 -6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.773 6.709 -6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.395 7.826 -6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.476 7.567 -4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.729 4.518 -5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.434 5.286 -3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.321 4.036 -4.183 1.00 0.00 H new ATOM 528 N GLY A 37 -0.513 7.308 -5.891 1.00 0.00 N ATOM 529 CA GLY A 37 -1.260 8.347 -6.596 1.00 0.00 C ATOM 530 C GLY A 37 -2.230 7.817 -7.648 1.00 0.00 C ATOM 531 O GLY A 37 -2.633 8.560 -8.544 1.00 0.00 O ATOM 0 H GLY A 37 -0.652 6.362 -6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.818 8.935 -5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.554 9.023 -7.078 1.00 0.00 H new ATOM 535 N ALA A 38 -2.617 6.544 -7.542 1.00 0.00 N ATOM 536 CA ALA A 38 -3.553 5.941 -8.488 1.00 0.00 C ATOM 537 C ALA A 38 -4.947 5.772 -7.872 1.00 0.00 C ATOM 538 O ALA A 38 -5.874 5.302 -8.536 1.00 0.00 O ATOM 539 CB ALA A 38 -3.014 4.605 -8.985 1.00 0.00 C ATOM 0 H ALA A 38 -2.295 5.912 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.653 6.616 -9.338 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.721 4.167 -9.689 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.057 4.761 -9.482 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.878 3.930 -8.140 1.00 0.00 H new ATOM 545 N HIS A 39 -5.090 6.162 -6.603 1.00 0.00 N ATOM 546 CA HIS A 39 -6.360 6.060 -5.902 1.00 0.00 C ATOM 547 C HIS A 39 -6.705 7.397 -5.249 1.00 0.00 C ATOM 548 O HIS A 39 -6.621 7.545 -4.028 1.00 0.00 O ATOM 549 CB HIS A 39 -6.302 4.945 -4.852 1.00 0.00 C ATOM 550 CG HIS A 39 -7.181 3.776 -5.172 1.00 0.00 C ATOM 551 ND1 HIS A 39 -8.373 3.530 -4.520 1.00 0.00 N ATOM 552 CD2 HIS A 39 -7.037 2.780 -6.077 1.00 0.00 C ATOM 553 CE1 HIS A 39 -8.919 2.432 -5.009 1.00 0.00 C ATOM 554 NE2 HIS A 39 -8.130 1.959 -5.955 1.00 0.00 N ATOM 0 H HIS A 39 -4.333 6.553 -6.042 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.141 5.812 -6.621 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.272 4.600 -4.757 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.592 5.353 -3.884 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.215 2.655 -6.767 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.853 1.995 -4.689 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.304 1.119 -6.507 1.00 0.00 H new ATOM 563 N PRO A 40 -7.091 8.395 -6.070 1.00 0.00 N ATOM 564 CA PRO A 40 -7.450 9.741 -5.595 1.00 0.00 C ATOM 565 C PRO A 40 -8.413 9.733 -4.401 1.00 0.00 C ATOM 566 O PRO A 40 -8.498 10.718 -3.670 1.00 0.00 O ATOM 567 CB PRO A 40 -8.121 10.361 -6.817 1.00 0.00 C ATOM 568 CG PRO A 40 -7.444 9.714 -7.970 1.00 0.00 C ATOM 569 CD PRO A 40 -7.201 8.294 -7.542 1.00 0.00 C ATOM 0 HA PRO A 40 -6.578 10.284 -5.230 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.194 10.167 -6.824 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.993 11.443 -6.836 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.066 9.754 -8.864 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.508 10.218 -8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.019 7.639 -7.840 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.291 7.890 -7.986 1.00 0.00 H new ATOM 577 N ALA A 41 -9.129 8.620 -4.206 1.00 0.00 N ATOM 578 CA ALA A 41 -10.073 8.493 -3.091 1.00 0.00 C ATOM 579 C ALA A 41 -9.426 8.877 -1.757 1.00 0.00 C ATOM 580 O ALA A 41 -10.097 9.397 -0.866 1.00 0.00 O ATOM 581 CB ALA A 41 -10.617 7.073 -3.022 1.00 0.00 C ATOM 0 H ALA A 41 -9.073 7.796 -4.805 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.896 9.184 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.317 6.991 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.131 6.835 -3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.793 6.375 -2.873 1.00 0.00 H new ATOM 587 N LEU A 42 -8.122 8.618 -1.624 1.00 0.00 N ATOM 588 CA LEU A 42 -7.393 8.940 -0.401 1.00 0.00 C ATOM 589 C LEU A 42 -6.605 10.249 -0.545 1.00 0.00 C ATOM 590 O LEU A 42 -6.173 10.826 0.448 1.00 0.00 O ATOM 591 CB LEU A 42 -6.432 7.802 -0.037 1.00 0.00 C ATOM 592 CG LEU A 42 -6.985 6.383 -0.218 1.00 0.00 C ATOM 593 CD1 LEU A 42 -6.282 5.677 -1.369 1.00 0.00 C ATOM 594 CD2 LEU A 42 -6.835 5.585 1.070 1.00 0.00 C ATOM 0 H LEU A 42 -7.552 8.186 -2.351 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.127 9.066 0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.532 7.902 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.130 7.925 1.003 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.046 6.455 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.688 4.672 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.440 6.237 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.214 5.616 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.232 4.581 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.780 5.523 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.385 6.080 1.871 1.00 0.00 H new ATOM 606 N GLU A 43 -6.417 10.714 -1.780 1.00 0.00 N ATOM 607 CA GLU A 43 -5.676 11.949 -2.024 1.00 0.00 C ATOM 608 C GLU A 43 -5.907 12.459 -3.445 1.00 0.00 C ATOM 609 O GLU A 43 -5.239 12.025 -4.386 1.00 0.00 O ATOM 610 CB GLU A 43 -4.180 11.718 -1.785 1.00 0.00 C ATOM 611 CG GLU A 43 -3.423 12.977 -1.399 1.00 0.00 C ATOM 612 CD GLU A 43 -1.924 12.770 -1.404 1.00 0.00 C ATOM 613 OE1 GLU A 43 -1.357 12.555 -2.498 1.00 0.00 O ATOM 614 OE2 GLU A 43 -1.313 12.819 -0.316 1.00 0.00 O ATOM 0 H GLU A 43 -6.766 10.256 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.039 12.706 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.057 10.975 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.737 11.301 -2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.679 13.779 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.740 13.299 -0.407 1.00 0.00 H new ATOM 621 N SER A 44 -6.856 13.383 -3.596 1.00 0.00 N ATOM 622 CA SER A 44 -7.170 13.950 -4.906 1.00 0.00 C ATOM 623 C SER A 44 -6.093 14.942 -5.355 1.00 0.00 C ATOM 624 O SER A 44 -5.603 14.863 -6.481 1.00 0.00 O ATOM 625 CB SER A 44 -8.538 14.637 -4.880 1.00 0.00 C ATOM 626 OG SER A 44 -9.176 14.552 -6.144 1.00 0.00 O ATOM 0 H SER A 44 -7.418 13.753 -2.830 1.00 0.00 H new ATOM 0 HA SER A 44 -7.198 13.130 -5.624 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.167 14.173 -4.120 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.418 15.683 -4.599 1.00 0.00 H new ATOM 0 HG SER A 44 -10.048 14.997 -6.101 1.00 0.00 H new ATOM 632 N ARG A 45 -5.728 15.870 -4.467 1.00 0.00 N ATOM 633 CA ARG A 45 -4.708 16.871 -4.772 1.00 0.00 C ATOM 634 C ARG A 45 -4.056 17.388 -3.494 1.00 0.00 C ATOM 635 O ARG A 45 -4.743 17.720 -2.527 1.00 0.00 O ATOM 636 CB ARG A 45 -5.320 18.039 -5.551 1.00 0.00 C ATOM 637 CG ARG A 45 -5.201 17.894 -7.059 1.00 0.00 C ATOM 638 CD ARG A 45 -6.558 17.655 -7.704 1.00 0.00 C ATOM 639 NE ARG A 45 -6.462 16.787 -8.878 1.00 0.00 N ATOM 640 CZ ARG A 45 -7.518 16.334 -9.559 1.00 0.00 C ATOM 641 NH1 ARG A 45 -8.754 16.666 -9.192 1.00 0.00 N ATOM 642 NH2 ARG A 45 -7.338 15.545 -10.613 1.00 0.00 N ATOM 0 H ARG A 45 -6.125 15.947 -3.531 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.943 16.395 -5.386 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.373 18.130 -5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.833 18.964 -5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.751 18.794 -7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.534 17.065 -7.295 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.232 17.205 -6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.995 18.611 -7.994 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.533 16.511 -9.195 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.901 17.271 -8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.554 16.315 -9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.394 15.286 -10.901 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.143 15.198 -11.134 1.00 0.00 H new ATOM 656 N VAL A 46 -2.727 17.461 -3.501 1.00 0.00 N ATOM 657 CA VAL A 46 -1.981 17.944 -2.342 1.00 0.00 C ATOM 658 C VAL A 46 -1.663 19.432 -2.485 1.00 0.00 C ATOM 659 O VAL A 46 -1.815 20.202 -1.535 1.00 0.00 O ATOM 660 CB VAL A 46 -0.661 17.162 -2.148 1.00 0.00 C ATOM 661 CG1 VAL A 46 -0.002 17.542 -0.830 1.00 0.00 C ATOM 662 CG2 VAL A 46 -0.910 15.662 -2.212 1.00 0.00 C ATOM 0 H VAL A 46 -2.146 17.192 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.613 17.787 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 46 0.017 17.429 -2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.925 16.981 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.217 18.610 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.675 17.307 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.032 15.131 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.608 15.375 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.332 15.404 -3.183 1.00 0.00 H new ATOM 672 N PHE A 47 -1.223 19.826 -3.680 1.00 0.00 N ATOM 673 CA PHE A 47 -0.883 21.221 -3.961 1.00 0.00 C ATOM 674 C PHE A 47 -0.599 21.426 -5.451 1.00 0.00 C ATOM 675 O PHE A 47 -1.359 22.103 -6.145 1.00 0.00 O ATOM 676 CB PHE A 47 0.328 21.659 -3.124 1.00 0.00 C ATOM 677 CG PHE A 47 0.683 23.116 -3.272 1.00 0.00 C ATOM 678 CD1 PHE A 47 0.096 24.072 -2.460 1.00 0.00 C ATOM 679 CD2 PHE A 47 1.604 23.525 -4.225 1.00 0.00 C ATOM 680 CE1 PHE A 47 0.421 25.409 -2.592 1.00 0.00 C ATOM 681 CE2 PHE A 47 1.935 24.861 -4.360 1.00 0.00 C ATOM 682 CZ PHE A 47 1.343 25.804 -3.543 1.00 0.00 C ATOM 0 H PHE A 47 -1.093 19.196 -4.472 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.739 21.838 -3.688 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.125 21.450 -2.074 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.190 21.055 -3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.624 23.769 -1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.068 22.792 -4.869 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.045 26.144 -1.953 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.656 25.167 -5.104 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.600 26.848 -3.647 1.00 0.00 H new ATOM 692 N GLY A 48 0.496 20.835 -5.933 1.00 0.00 N ATOM 693 CA GLY A 48 0.858 20.968 -7.336 1.00 0.00 C ATOM 694 C GLY A 48 0.764 19.655 -8.089 1.00 0.00 C ATOM 695 O GLY A 48 1.672 18.826 -8.011 1.00 0.00 O ATOM 0 H GLY A 48 1.137 20.268 -5.377 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.204 21.701 -7.808 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.875 21.353 -7.410 1.00 0.00 H new ATOM 699 N ASP A 49 -0.336 19.466 -8.817 1.00 0.00 N ATOM 700 CA ASP A 49 -0.548 18.243 -9.588 1.00 0.00 C ATOM 701 C ASP A 49 0.524 18.078 -10.667 1.00 0.00 C ATOM 702 O ASP A 49 1.296 17.118 -10.643 1.00 0.00 O ATOM 703 CB ASP A 49 -1.941 18.249 -10.227 1.00 0.00 C ATOM 704 CG ASP A 49 -2.576 16.871 -10.249 1.00 0.00 C ATOM 705 OD1 ASP A 49 -2.072 15.996 -10.984 1.00 0.00 O ATOM 706 OD2 ASP A 49 -3.581 16.668 -9.534 1.00 0.00 O ATOM 0 H ASP A 49 -1.094 20.145 -8.889 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.475 17.398 -8.903 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.586 18.934 -9.677 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.868 18.628 -11.246 1.00 0.00 H new ATOM 711 N ASP A 50 0.567 19.018 -11.613 1.00 0.00 N ATOM 712 CA ASP A 50 1.546 18.975 -12.699 1.00 0.00 C ATOM 713 C ASP A 50 2.715 19.927 -12.439 1.00 0.00 C ATOM 714 O ASP A 50 3.823 19.706 -12.935 1.00 0.00 O ATOM 715 CB ASP A 50 0.880 19.319 -14.035 1.00 0.00 C ATOM 716 CG ASP A 50 0.357 18.091 -14.753 1.00 0.00 C ATOM 717 OD1 ASP A 50 1.183 17.285 -15.232 1.00 0.00 O ATOM 718 OD2 ASP A 50 -0.879 17.935 -14.838 1.00 0.00 O ATOM 0 H ASP A 50 -0.065 19.818 -11.648 1.00 0.00 H new ATOM 0 HA ASP A 50 1.940 17.960 -12.746 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.057 20.012 -13.860 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.598 19.832 -14.674 1.00 0.00 H new ATOM 723 N GLY A 51 2.466 20.985 -11.663 1.00 0.00 N ATOM 724 CA GLY A 51 3.508 21.953 -11.357 1.00 0.00 C ATOM 725 C GLY A 51 4.582 21.391 -10.440 1.00 0.00 C ATOM 726 O GLY A 51 4.549 21.614 -9.230 1.00 0.00 O ATOM 0 H GLY A 51 1.559 21.187 -11.241 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.969 22.290 -12.286 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.058 22.829 -10.889 1.00 0.00 H new ATOM 730 N GLU A 52 5.536 20.663 -11.027 1.00 0.00 N ATOM 731 CA GLU A 52 6.638 20.061 -10.274 1.00 0.00 C ATOM 732 C GLU A 52 6.119 19.090 -9.213 1.00 0.00 C ATOM 733 O GLU A 52 6.034 19.428 -8.031 1.00 0.00 O ATOM 734 CB GLU A 52 7.502 21.145 -9.625 1.00 0.00 C ATOM 735 CG GLU A 52 8.927 20.694 -9.338 1.00 0.00 C ATOM 736 CD GLU A 52 9.927 21.837 -9.372 1.00 0.00 C ATOM 737 OE1 GLU A 52 9.642 22.898 -8.780 1.00 0.00 O ATOM 738 OE2 GLU A 52 10.999 21.667 -9.992 1.00 0.00 O ATOM 0 H GLU A 52 5.566 20.476 -12.029 1.00 0.00 H new ATOM 0 HA GLU A 52 7.252 19.497 -10.976 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.530 22.016 -10.279 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.035 21.461 -8.692 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.961 20.217 -8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.219 19.941 -10.070 1.00 0.00 H new ATOM 745 N LEU A 53 5.777 17.876 -9.647 1.00 0.00 N ATOM 746 CA LEU A 53 5.271 16.849 -8.739 1.00 0.00 C ATOM 747 C LEU A 53 6.400 15.919 -8.292 1.00 0.00 C ATOM 748 O LEU A 53 6.762 14.981 -9.003 1.00 0.00 O ATOM 749 CB LEU A 53 4.162 16.037 -9.418 1.00 0.00 C ATOM 750 CG LEU A 53 3.450 15.024 -8.519 1.00 0.00 C ATOM 751 CD1 LEU A 53 2.730 15.731 -7.379 1.00 0.00 C ATOM 752 CD2 LEU A 53 2.474 14.186 -9.332 1.00 0.00 C ATOM 0 H LEU A 53 5.842 17.581 -10.621 1.00 0.00 H new ATOM 0 HA LEU A 53 4.860 17.344 -7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.420 16.729 -9.817 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.591 15.506 -10.267 1.00 0.00 H new ATOM 0 HG LEU A 53 4.199 14.359 -8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.230 14.993 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.453 16.286 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.991 16.420 -7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.976 13.471 -8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.730 14.837 -9.791 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.016 13.649 -10.111 1.00 0.00 H new ATOM 764 N TYR A 54 6.953 16.188 -7.109 1.00 0.00 N ATOM 765 CA TYR A 54 8.039 15.375 -6.567 1.00 0.00 C ATOM 766 C TYR A 54 7.980 15.317 -5.042 1.00 0.00 C ATOM 767 O TYR A 54 8.113 16.339 -4.367 1.00 0.00 O ATOM 768 CB TYR A 54 9.397 15.927 -7.016 1.00 0.00 C ATOM 769 CG TYR A 54 9.815 15.463 -8.394 1.00 0.00 C ATOM 770 CD1 TYR A 54 10.349 14.196 -8.591 1.00 0.00 C ATOM 771 CD2 TYR A 54 9.675 16.294 -9.500 1.00 0.00 C ATOM 772 CE1 TYR A 54 10.732 13.769 -9.848 1.00 0.00 C ATOM 773 CE2 TYR A 54 10.055 15.873 -10.760 1.00 0.00 C ATOM 774 CZ TYR A 54 10.583 14.611 -10.931 1.00 0.00 C ATOM 775 OH TYR A 54 10.961 14.188 -12.185 1.00 0.00 O ATOM 0 H TYR A 54 6.666 16.962 -6.509 1.00 0.00 H new ATOM 0 HA TYR A 54 7.919 14.363 -6.953 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.358 17.016 -7.005 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.158 15.628 -6.295 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.467 13.533 -7.747 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.263 17.284 -9.372 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.146 12.781 -9.982 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.939 16.531 -11.609 1.00 0.00 H new ATOM 0 HH TYR A 54 10.789 14.900 -12.836 1.00 0.00 H new ATOM 785 N ASP A 55 7.779 14.113 -4.507 1.00 0.00 N ATOM 786 CA ASP A 55 7.701 13.912 -3.063 1.00 0.00 C ATOM 787 C ASP A 55 8.262 12.548 -2.668 1.00 0.00 C ATOM 788 O ASP A 55 8.181 11.587 -3.437 1.00 0.00 O ATOM 789 CB ASP A 55 6.251 14.034 -2.586 1.00 0.00 C ATOM 790 CG ASP A 55 5.887 15.447 -2.172 1.00 0.00 C ATOM 791 OD1 ASP A 55 6.624 16.036 -1.353 1.00 0.00 O ATOM 792 OD2 ASP A 55 4.863 15.964 -2.666 1.00 0.00 O ATOM 0 H ASP A 55 7.667 13.260 -5.055 1.00 0.00 H new ATOM 0 HA ASP A 55 8.302 14.685 -2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.582 13.710 -3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.092 13.361 -1.744 1.00 0.00 H new ATOM 797 N HIS A 56 8.820 12.468 -1.464 1.00 0.00 N ATOM 798 CA HIS A 56 9.388 11.220 -0.959 1.00 0.00 C ATOM 799 C HIS A 56 8.315 10.384 -0.263 1.00 0.00 C ATOM 800 O HIS A 56 7.297 10.914 0.178 1.00 0.00 O ATOM 801 CB HIS A 56 10.540 11.510 0.006 1.00 0.00 C ATOM 802 CG HIS A 56 11.830 11.841 -0.682 1.00 0.00 C ATOM 803 ND1 HIS A 56 12.049 13.034 -1.340 1.00 0.00 N ATOM 804 CD2 HIS A 56 12.972 11.127 -0.814 1.00 0.00 C ATOM 805 CE1 HIS A 56 13.269 13.040 -1.845 1.00 0.00 C ATOM 806 NE2 HIS A 56 13.850 11.895 -1.538 1.00 0.00 N ATOM 0 H HIS A 56 8.892 13.254 -0.818 1.00 0.00 H new ATOM 0 HA HIS A 56 9.775 10.652 -1.805 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.260 12.341 0.654 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.692 10.642 0.648 1.00 0.00 H new ATOM 0 HD2 HIS A 56 13.158 10.138 -0.423 1.00 0.00 H new ATOM 0 HE1 HIS A 56 13.715 13.844 -2.412 1.00 0.00 H new ATOM 0 HE2 HIS A 56 14.799 11.624 -1.797 1.00 0.00 H new ATOM 815 N ILE A 57 8.547 9.074 -0.166 1.00 0.00 N ATOM 816 CA ILE A 57 7.598 8.170 0.481 1.00 0.00 C ATOM 817 C ILE A 57 8.312 6.944 1.037 1.00 0.00 C ATOM 818 O ILE A 57 9.011 6.236 0.305 1.00 0.00 O ATOM 819 CB ILE A 57 6.472 7.708 -0.480 1.00 0.00 C ATOM 820 CG1 ILE A 57 7.049 7.197 -1.809 1.00 0.00 C ATOM 821 CG2 ILE A 57 5.476 8.836 -0.721 1.00 0.00 C ATOM 822 CD1 ILE A 57 7.563 8.289 -2.728 1.00 0.00 C ATOM 0 H ILE A 57 9.384 8.617 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 57 7.141 8.734 1.294 1.00 0.00 H new ATOM 0 HB ILE A 57 5.946 6.879 -0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.864 6.505 -1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.278 6.631 -2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.694 8.492 -1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.030 9.136 0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.991 9.688 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.952 7.842 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.748 8.970 -2.975 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.358 8.842 -2.227 1.00 0.00 H new ATOM 834 N ASN A 58 8.142 6.698 2.332 1.00 0.00 N ATOM 835 CA ASN A 58 8.778 5.557 2.982 1.00 0.00 C ATOM 836 C ASN A 58 7.809 4.382 3.088 1.00 0.00 C ATOM 837 O ASN A 58 6.637 4.557 3.425 1.00 0.00 O ATOM 838 CB ASN A 58 9.287 5.948 4.372 1.00 0.00 C ATOM 839 CG ASN A 58 10.549 6.790 4.311 1.00 0.00 C ATOM 840 OD1 ASN A 58 10.536 7.911 3.800 1.00 0.00 O ATOM 841 ND2 ASN A 58 11.647 6.255 4.833 1.00 0.00 N ATOM 0 H ASN A 58 7.570 7.272 2.951 1.00 0.00 H new ATOM 0 HA ASN A 58 9.626 5.249 2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.509 6.502 4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.483 5.046 4.951 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.524 6.776 4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.613 5.323 5.246 1.00 0.00 H new ATOM 848 N VAL A 59 8.307 3.185 2.795 1.00 0.00 N ATOM 849 CA VAL A 59 7.488 1.980 2.850 1.00 0.00 C ATOM 850 C VAL A 59 8.268 0.804 3.430 1.00 0.00 C ATOM 851 O VAL A 59 9.456 0.632 3.142 1.00 0.00 O ATOM 852 CB VAL A 59 6.953 1.604 1.451 1.00 0.00 C ATOM 853 CG1 VAL A 59 8.097 1.278 0.498 1.00 0.00 C ATOM 854 CG2 VAL A 59 5.980 0.437 1.544 1.00 0.00 C ATOM 0 H VAL A 59 9.275 3.024 2.517 1.00 0.00 H new ATOM 0 HA VAL A 59 6.644 2.198 3.505 1.00 0.00 H new ATOM 0 HB VAL A 59 6.418 2.465 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.693 1.017 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.748 2.147 0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.669 0.437 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.615 0.188 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.488 -0.427 1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.139 0.714 2.180 1.00 0.00 H new ATOM 864 N LEU A 60 7.593 -0.005 4.241 1.00 0.00 N ATOM 865 CA LEU A 60 8.218 -1.168 4.859 1.00 0.00 C ATOM 866 C LEU A 60 7.903 -2.436 4.070 1.00 0.00 C ATOM 867 O LEU A 60 6.757 -2.669 3.686 1.00 0.00 O ATOM 868 CB LEU A 60 7.749 -1.322 6.308 1.00 0.00 C ATOM 869 CG LEU A 60 8.727 -2.051 7.236 1.00 0.00 C ATOM 870 CD1 LEU A 60 10.129 -1.469 7.104 1.00 0.00 C ATOM 871 CD2 LEU A 60 8.247 -1.980 8.679 1.00 0.00 C ATOM 0 H LEU A 60 6.611 0.125 4.485 1.00 0.00 H new ATOM 0 HA LEU A 60 9.297 -1.015 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.555 -0.331 6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.801 -1.860 6.311 1.00 0.00 H new ATOM 0 HG LEU A 60 8.766 -3.099 6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.808 -2.000 7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.472 -1.577 6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.111 -0.412 7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.954 -2.503 9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.177 -0.937 8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.266 -2.449 8.760 1.00 0.00 H new ATOM 883 N ARG A 61 8.928 -3.252 3.836 1.00 0.00 N ATOM 884 CA ARG A 61 8.771 -4.501 3.096 1.00 0.00 C ATOM 885 C ARG A 61 9.225 -5.693 3.937 1.00 0.00 C ATOM 886 O ARG A 61 10.166 -5.583 4.723 1.00 0.00 O ATOM 887 CB ARG A 61 9.566 -4.453 1.787 1.00 0.00 C ATOM 888 CG ARG A 61 8.694 -4.498 0.541 1.00 0.00 C ATOM 889 CD ARG A 61 8.790 -5.843 -0.165 1.00 0.00 C ATOM 890 NE ARG A 61 7.618 -6.106 -1.000 1.00 0.00 N ATOM 891 CZ ARG A 61 7.382 -7.268 -1.616 1.00 0.00 C ATOM 892 NH1 ARG A 61 8.253 -8.268 -1.531 1.00 0.00 N ATOM 893 NH2 ARG A 61 6.268 -7.427 -2.323 1.00 0.00 N ATOM 0 H ARG A 61 9.881 -3.069 4.150 1.00 0.00 H new ATOM 0 HA ARG A 61 7.713 -4.623 2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.164 -3.542 1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.262 -5.292 1.764 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.657 -4.304 0.815 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.996 -3.705 -0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.688 -5.866 -0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.893 -6.636 0.576 1.00 0.00 H new ATOM 0 HE ARG A 61 6.938 -5.355 -1.120 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.111 -8.152 -0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.063 -9.151 -2.005 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.596 -6.663 -2.394 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.085 -8.313 -2.794 1.00 0.00 H new ATOM 907 N ASN A 62 8.551 -6.832 3.760 1.00 0.00 N ATOM 908 CA ASN A 62 8.885 -8.056 4.497 1.00 0.00 C ATOM 909 C ASN A 62 10.355 -8.446 4.311 1.00 0.00 C ATOM 910 O ASN A 62 10.912 -9.190 5.120 1.00 0.00 O ATOM 911 CB ASN A 62 7.988 -9.216 4.041 1.00 0.00 C ATOM 912 CG ASN A 62 6.518 -8.982 4.344 1.00 0.00 C ATOM 913 OD1 ASN A 62 6.004 -7.877 4.173 1.00 0.00 O ATOM 914 ND2 ASN A 62 5.833 -10.027 4.798 1.00 0.00 N ATOM 0 H ASN A 62 7.770 -6.933 3.112 1.00 0.00 H new ATOM 0 HA ASN A 62 8.715 -7.854 5.555 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.113 -9.365 2.969 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.313 -10.134 4.531 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.842 -9.930 5.019 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.298 -10.926 4.925 1.00 0.00 H new ATOM 921 N GLY A 63 10.974 -7.949 3.237 1.00 0.00 N ATOM 922 CA GLY A 63 12.366 -8.264 2.959 1.00 0.00 C ATOM 923 C GLY A 63 12.528 -9.134 1.720 1.00 0.00 C ATOM 924 O GLY A 63 13.524 -9.846 1.581 1.00 0.00 O ATOM 0 H GLY A 63 10.533 -7.333 2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.925 -7.338 2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 63 12.798 -8.776 3.818 1.00 0.00 H new ATOM 928 N GLU A 64 11.539 -9.078 0.823 1.00 0.00 N ATOM 929 CA GLU A 64 11.556 -9.861 -0.409 1.00 0.00 C ATOM 930 C GLU A 64 11.514 -8.941 -1.627 1.00 0.00 C ATOM 931 O GLU A 64 11.207 -7.753 -1.505 1.00 0.00 O ATOM 932 CB GLU A 64 10.356 -10.810 -0.437 1.00 0.00 C ATOM 933 CG GLU A 64 10.645 -12.153 -1.090 1.00 0.00 C ATOM 934 CD GLU A 64 9.528 -12.601 -2.011 1.00 0.00 C ATOM 935 OE1 GLU A 64 9.551 -12.219 -3.200 1.00 0.00 O ATOM 936 OE2 GLU A 64 8.625 -13.326 -1.541 1.00 0.00 O ATOM 0 H GLU A 64 10.711 -8.492 0.932 1.00 0.00 H new ATOM 0 HA GLU A 64 12.478 -10.442 -0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.016 -10.980 0.585 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.536 -10.327 -0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.574 -12.086 -1.656 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.797 -12.905 -0.316 1.00 0.00 H new ATOM 943 N ALA A 65 11.814 -9.496 -2.803 1.00 0.00 N ATOM 944 CA ALA A 65 11.798 -8.721 -4.042 1.00 0.00 C ATOM 945 C ALA A 65 10.427 -8.090 -4.268 1.00 0.00 C ATOM 946 O ALA A 65 9.411 -8.787 -4.298 1.00 0.00 O ATOM 947 CB ALA A 65 12.176 -9.601 -5.225 1.00 0.00 C ATOM 0 H ALA A 65 12.070 -10.476 -2.922 1.00 0.00 H new ATOM 0 HA ALA A 65 12.533 -7.921 -3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.159 -9.008 -6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.177 -10.005 -5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.463 -10.421 -5.311 1.00 0.00 H new ATOM 953 N ALA A 66 10.405 -6.765 -4.416 1.00 0.00 N ATOM 954 CA ALA A 66 9.155 -6.037 -4.631 1.00 0.00 C ATOM 955 C ALA A 66 8.419 -6.550 -5.865 1.00 0.00 C ATOM 956 O ALA A 66 8.777 -6.221 -6.998 1.00 0.00 O ATOM 957 CB ALA A 66 9.416 -4.544 -4.755 1.00 0.00 C ATOM 0 H ALA A 66 11.237 -6.175 -4.391 1.00 0.00 H new ATOM 0 HA ALA A 66 8.519 -6.210 -3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.473 -4.022 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.883 -4.179 -3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.080 -4.360 -5.599 1.00 0.00 H new ATOM 963 N ALA A 67 7.387 -7.356 -5.634 1.00 0.00 N ATOM 964 CA ALA A 67 6.591 -7.919 -6.718 1.00 0.00 C ATOM 965 C ALA A 67 5.624 -6.882 -7.285 1.00 0.00 C ATOM 966 O ALA A 67 5.319 -5.883 -6.635 1.00 0.00 O ATOM 967 CB ALA A 67 5.828 -9.143 -6.231 1.00 0.00 C ATOM 0 H ALA A 67 7.082 -7.634 -4.701 1.00 0.00 H new ATOM 0 HA ALA A 67 7.270 -8.220 -7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.238 -9.554 -7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.534 -9.896 -5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.165 -8.857 -5.414 1.00 0.00 H new ATOM 973 N LEU A 68 5.147 -7.132 -8.503 1.00 0.00 N ATOM 974 CA LEU A 68 4.208 -6.226 -9.163 1.00 0.00 C ATOM 975 C LEU A 68 3.407 -6.946 -10.260 1.00 0.00 C ATOM 976 O LEU A 68 2.884 -6.307 -11.175 1.00 0.00 O ATOM 977 CB LEU A 68 4.963 -5.030 -9.754 1.00 0.00 C ATOM 978 CG LEU A 68 4.274 -3.673 -9.582 1.00 0.00 C ATOM 979 CD1 LEU A 68 5.299 -2.549 -9.587 1.00 0.00 C ATOM 980 CD2 LEU A 68 3.233 -3.455 -10.673 1.00 0.00 C ATOM 0 H LEU A 68 5.395 -7.954 -9.053 1.00 0.00 H new ATOM 0 HA LEU A 68 3.499 -5.871 -8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.949 -4.980 -9.293 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.118 -5.208 -10.818 1.00 0.00 H new ATOM 0 HG LEU A 68 3.764 -3.668 -8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.791 -1.593 -9.464 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.002 -2.694 -8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.839 -2.553 -10.534 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.756 -2.485 -10.532 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.718 -3.482 -11.649 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.480 -4.241 -10.620 1.00 0.00 H new ATOM 992 N GLY A 69 3.306 -8.276 -10.159 1.00 0.00 N ATOM 993 CA GLY A 69 2.562 -9.049 -11.145 1.00 0.00 C ATOM 994 C GLY A 69 1.803 -10.223 -10.537 1.00 0.00 C ATOM 995 O GLY A 69 1.349 -11.110 -11.262 1.00 0.00 O ATOM 0 H GLY A 69 3.726 -8.829 -9.412 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.856 -8.393 -11.655 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.253 -9.423 -11.901 1.00 0.00 H new ATOM 999 N GLU A 70 1.663 -10.223 -9.208 1.00 0.00 N ATOM 1000 CA GLU A 70 0.953 -11.284 -8.497 1.00 0.00 C ATOM 1001 C GLU A 70 0.988 -11.032 -6.992 1.00 0.00 C ATOM 1002 O GLU A 70 1.962 -11.374 -6.319 1.00 0.00 O ATOM 1003 CB GLU A 70 1.567 -12.655 -8.808 1.00 0.00 C ATOM 1004 CG GLU A 70 0.568 -13.664 -9.351 1.00 0.00 C ATOM 1005 CD GLU A 70 1.244 -14.902 -9.908 1.00 0.00 C ATOM 1006 OE1 GLU A 70 1.758 -14.835 -11.043 1.00 0.00 O ATOM 1007 OE2 GLU A 70 1.262 -15.935 -9.208 1.00 0.00 O ATOM 0 H GLU A 70 2.036 -9.493 -8.601 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.083 -11.281 -8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.371 -12.527 -9.533 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.017 -13.056 -7.900 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.119 -13.955 -8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.029 -13.196 -10.134 1.00 0.00 H new ATOM 1014 N ALA A 71 -0.080 -10.433 -6.465 1.00 0.00 N ATOM 1015 CA ALA A 71 -0.164 -10.141 -5.034 1.00 0.00 C ATOM 1016 C ALA A 71 -0.357 -11.414 -4.201 1.00 0.00 C ATOM 1017 O ALA A 71 -0.323 -11.367 -2.971 1.00 0.00 O ATOM 1018 CB ALA A 71 -1.293 -9.161 -4.755 1.00 0.00 C ATOM 0 H ALA A 71 -0.895 -10.142 -7.004 1.00 0.00 H new ATOM 0 HA ALA A 71 0.784 -9.690 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.340 -8.956 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.110 -8.232 -5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.239 -9.592 -5.084 1.00 0.00 H new ATOM 1024 N THR A 72 -0.557 -12.552 -4.875 1.00 0.00 N ATOM 1025 CA THR A 72 -0.752 -13.832 -4.195 1.00 0.00 C ATOM 1026 C THR A 72 0.566 -14.394 -3.633 1.00 0.00 C ATOM 1027 O THR A 72 0.582 -15.481 -3.052 1.00 0.00 O ATOM 1028 CB THR A 72 -1.390 -14.838 -5.160 1.00 0.00 C ATOM 1029 OG1 THR A 72 -1.725 -16.041 -4.491 1.00 0.00 O ATOM 1030 CG2 THR A 72 -0.500 -15.198 -6.334 1.00 0.00 C ATOM 0 H THR A 72 -0.588 -12.610 -5.893 1.00 0.00 H new ATOM 0 HA THR A 72 -1.418 -13.662 -3.349 1.00 0.00 H new ATOM 0 HB THR A 72 -2.281 -14.338 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.000 -16.288 -3.880 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.015 -15.914 -6.975 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.270 -14.299 -6.905 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.426 -15.641 -5.966 1.00 0.00 H new ATOM 1038 N ALA A 73 1.669 -13.655 -3.803 1.00 0.00 N ATOM 1039 CA ALA A 73 2.973 -14.094 -3.309 1.00 0.00 C ATOM 1040 C ALA A 73 3.016 -14.101 -1.777 1.00 0.00 C ATOM 1041 O ALA A 73 2.016 -13.812 -1.117 1.00 0.00 O ATOM 1042 CB ALA A 73 4.072 -13.202 -3.871 1.00 0.00 C ATOM 0 H ALA A 73 1.681 -12.753 -4.278 1.00 0.00 H new ATOM 0 HA ALA A 73 3.138 -15.117 -3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.039 -13.537 -3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.065 -13.258 -4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.900 -12.172 -3.559 1.00 0.00 H new ATOM 1048 N ALA A 74 4.179 -14.442 -1.218 1.00 0.00 N ATOM 1049 CA ALA A 74 4.355 -14.496 0.235 1.00 0.00 C ATOM 1050 C ALA A 74 4.340 -13.095 0.854 1.00 0.00 C ATOM 1051 O ALA A 74 5.390 -12.540 1.187 1.00 0.00 O ATOM 1052 CB ALA A 74 5.652 -15.218 0.583 1.00 0.00 C ATOM 0 H ALA A 74 5.014 -14.685 -1.750 1.00 0.00 H new ATOM 0 HA ALA A 74 3.516 -15.052 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.771 -15.251 1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.619 -16.234 0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.495 -14.685 0.142 1.00 0.00 H new ATOM 1058 N GLY A 75 3.140 -12.530 1.002 1.00 0.00 N ATOM 1059 CA GLY A 75 3.002 -11.201 1.578 1.00 0.00 C ATOM 1060 C GLY A 75 3.393 -10.099 0.608 1.00 0.00 C ATOM 1061 O GLY A 75 4.096 -10.350 -0.373 1.00 0.00 O ATOM 0 H GLY A 75 2.261 -12.971 0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.970 -11.052 1.894 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.622 -11.130 2.471 1.00 0.00 H new ATOM 1065 N ASP A 76 2.942 -8.876 0.884 1.00 0.00 N ATOM 1066 CA ASP A 76 3.259 -7.735 0.029 1.00 0.00 C ATOM 1067 C ASP A 76 4.227 -6.796 0.739 1.00 0.00 C ATOM 1068 O ASP A 76 5.427 -6.815 0.474 1.00 0.00 O ATOM 1069 CB ASP A 76 1.983 -6.986 -0.370 1.00 0.00 C ATOM 1070 CG ASP A 76 1.140 -7.760 -1.367 1.00 0.00 C ATOM 1071 OD1 ASP A 76 0.582 -8.810 -0.985 1.00 0.00 O ATOM 1072 OD2 ASP A 76 1.034 -7.313 -2.528 1.00 0.00 O ATOM 0 H ASP A 76 2.358 -8.651 1.690 1.00 0.00 H new ATOM 0 HA ASP A 76 3.735 -8.106 -0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.390 -6.784 0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.252 -6.021 -0.799 1.00 0.00 H new ATOM 1077 N GLU A 77 3.701 -5.983 1.650 1.00 0.00 N ATOM 1078 CA GLU A 77 4.522 -5.044 2.405 1.00 0.00 C ATOM 1079 C GLU A 77 4.210 -5.129 3.900 1.00 0.00 C ATOM 1080 O GLU A 77 3.402 -5.955 4.332 1.00 0.00 O ATOM 1081 CB GLU A 77 4.302 -3.613 1.894 1.00 0.00 C ATOM 1082 CG GLU A 77 2.930 -3.046 2.228 1.00 0.00 C ATOM 1083 CD GLU A 77 2.879 -1.531 2.165 1.00 0.00 C ATOM 1084 OE1 GLU A 77 3.434 -0.955 1.207 1.00 0.00 O ATOM 1085 OE2 GLU A 77 2.274 -0.921 3.072 1.00 0.00 O ATOM 0 H GLU A 77 2.708 -5.956 1.883 1.00 0.00 H new ATOM 0 HA GLU A 77 5.569 -5.311 2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.067 -2.963 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.437 -3.598 0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.195 -3.457 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.643 -3.372 3.228 1.00 0.00 H new ATOM 1092 N LEU A 78 4.858 -4.271 4.681 1.00 0.00 N ATOM 1093 CA LEU A 78 4.654 -4.240 6.124 1.00 0.00 C ATOM 1094 C LEU A 78 3.862 -2.998 6.535 1.00 0.00 C ATOM 1095 O LEU A 78 3.019 -3.060 7.432 1.00 0.00 O ATOM 1096 CB LEU A 78 6.002 -4.271 6.851 1.00 0.00 C ATOM 1097 CG LEU A 78 6.189 -5.432 7.833 1.00 0.00 C ATOM 1098 CD1 LEU A 78 5.135 -5.384 8.928 1.00 0.00 C ATOM 1099 CD2 LEU A 78 6.144 -6.768 7.103 1.00 0.00 C ATOM 0 H LEU A 78 5.531 -3.586 4.337 1.00 0.00 H new ATOM 0 HA LEU A 78 4.079 -5.122 6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.797 -4.315 6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.125 -3.334 7.394 1.00 0.00 H new ATOM 0 HG LEU A 78 7.170 -5.330 8.298 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.286 -6.217 9.615 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.220 -4.444 9.474 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.143 -5.456 8.482 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.279 -7.579 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.180 -6.879 6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.941 -6.804 6.360 1.00 0.00 H new ATOM 1111 N ALA A 79 4.136 -1.871 5.872 1.00 0.00 N ATOM 1112 CA ALA A 79 3.449 -0.613 6.168 1.00 0.00 C ATOM 1113 C ALA A 79 3.851 0.480 5.170 1.00 0.00 C ATOM 1114 O ALA A 79 4.829 0.329 4.436 1.00 0.00 O ATOM 1115 CB ALA A 79 3.767 -0.164 7.588 1.00 0.00 C ATOM 0 H ALA A 79 4.829 -1.805 5.127 1.00 0.00 H new ATOM 0 HA ALA A 79 2.376 -0.782 6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.251 0.773 7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.436 -0.926 8.293 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.842 -0.017 7.691 1.00 0.00 H new ATOM 1121 N LEU A 80 3.096 1.582 5.153 1.00 0.00 N ATOM 1122 CA LEU A 80 3.377 2.702 4.251 1.00 0.00 C ATOM 1123 C LEU A 80 3.219 4.035 4.983 1.00 0.00 C ATOM 1124 O LEU A 80 2.109 4.433 5.340 1.00 0.00 O ATOM 1125 CB LEU A 80 2.449 2.658 3.028 1.00 0.00 C ATOM 1126 CG LEU A 80 3.104 3.047 1.699 1.00 0.00 C ATOM 1127 CD1 LEU A 80 2.584 2.168 0.571 1.00 0.00 C ATOM 1128 CD2 LEU A 80 2.856 4.516 1.388 1.00 0.00 C ATOM 0 H LEU A 80 2.284 1.722 5.755 1.00 0.00 H new ATOM 0 HA LEU A 80 4.408 2.612 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.045 1.650 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.605 3.324 3.208 1.00 0.00 H new ATOM 0 HG LEU A 80 4.179 2.893 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.060 2.458 -0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.814 1.125 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.505 2.290 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.329 4.772 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.783 4.697 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.277 5.132 2.182 1.00 0.00 H new ATOM 1140 N PHE A 81 4.342 4.714 5.209 1.00 0.00 N ATOM 1141 CA PHE A 81 4.342 6.002 5.904 1.00 0.00 C ATOM 1142 C PHE A 81 4.747 7.139 4.959 1.00 0.00 C ATOM 1143 O PHE A 81 5.335 6.899 3.905 1.00 0.00 O ATOM 1144 CB PHE A 81 5.291 5.955 7.108 1.00 0.00 C ATOM 1145 CG PHE A 81 4.997 4.833 8.072 1.00 0.00 C ATOM 1146 CD1 PHE A 81 3.710 4.625 8.547 1.00 0.00 C ATOM 1147 CD2 PHE A 81 6.010 3.992 8.504 1.00 0.00 C ATOM 1148 CE1 PHE A 81 3.441 3.597 9.432 1.00 0.00 C ATOM 1149 CE2 PHE A 81 5.747 2.964 9.389 1.00 0.00 C ATOM 1150 CZ PHE A 81 4.460 2.766 9.853 1.00 0.00 C ATOM 0 H PHE A 81 5.266 4.394 4.921 1.00 0.00 H new ATOM 0 HA PHE A 81 3.329 6.196 6.256 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.315 5.853 6.748 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.234 6.904 7.641 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.910 5.273 8.222 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.017 4.142 8.145 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.435 3.444 9.793 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.546 2.316 9.718 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.252 1.962 10.544 1.00 0.00 H new ATOM 1160 N PRO A 82 4.431 8.398 5.328 1.00 0.00 N ATOM 1161 CA PRO A 82 4.760 9.568 4.510 1.00 0.00 C ATOM 1162 C PRO A 82 6.205 10.035 4.706 1.00 0.00 C ATOM 1163 O PRO A 82 6.896 9.574 5.617 1.00 0.00 O ATOM 1164 CB PRO A 82 3.780 10.622 5.021 1.00 0.00 C ATOM 1165 CG PRO A 82 3.564 10.274 6.454 1.00 0.00 C ATOM 1166 CD PRO A 82 3.726 8.777 6.568 1.00 0.00 C ATOM 0 HA PRO A 82 4.679 9.363 3.443 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.188 11.627 4.915 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.845 10.597 4.462 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.283 10.790 7.090 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.571 10.582 6.781 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.301 8.504 7.453 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.761 8.276 6.647 1.00 0.00 H new ATOM 1174 N PRO A 83 6.679 10.961 3.849 1.00 0.00 N ATOM 1175 CA PRO A 83 8.047 11.495 3.929 1.00 0.00 C ATOM 1176 C PRO A 83 8.271 12.348 5.177 1.00 0.00 C ATOM 1177 O PRO A 83 9.310 12.244 5.828 1.00 0.00 O ATOM 1178 CB PRO A 83 8.170 12.357 2.669 1.00 0.00 C ATOM 1179 CG PRO A 83 6.770 12.731 2.324 1.00 0.00 C ATOM 1180 CD PRO A 83 5.918 11.563 2.737 1.00 0.00 C ATOM 0 HA PRO A 83 8.787 10.697 3.993 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.781 13.241 2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.643 11.805 1.857 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.468 13.639 2.846 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.670 12.929 1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.926 11.882 3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.778 10.858 1.918 1.00 0.00 H new