USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 289 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 GLY N :NH3+ 138:sc= 0.0104 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 0.0781 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00467 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.492 -5.322 -4.792 1.00 0.00 N ATOM 2 CA GLY A 1 -13.694 -6.487 -5.125 1.00 0.00 C ATOM 3 C GLY A 1 -12.845 -6.274 -6.362 1.00 0.00 C ATOM 4 O GLY A 1 -13.270 -5.612 -7.309 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.447 -5.624 -4.512 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.046 -4.809 -4.004 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.555 -4.696 -5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.048 -6.734 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.352 -7.341 -5.283 1.00 0.00 H new ATOM 8 N SER A 2 -11.640 -6.836 -6.354 1.00 0.00 N ATOM 9 CA SER A 2 -10.726 -6.701 -7.483 1.00 0.00 C ATOM 10 C SER A 2 -9.896 -7.968 -7.666 1.00 0.00 C ATOM 11 O SER A 2 -9.915 -8.862 -6.820 1.00 0.00 O ATOM 12 CB SER A 2 -9.803 -5.498 -7.276 1.00 0.00 C ATOM 13 OG SER A 2 -10.429 -4.297 -7.695 1.00 0.00 O ATOM 0 H SER A 2 -11.274 -7.389 -5.579 1.00 0.00 H new ATOM 0 HA SER A 2 -11.320 -6.545 -8.383 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.530 -5.422 -6.223 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.879 -5.644 -7.835 1.00 0.00 H new ATOM 0 HG SER A 2 -11.402 -4.417 -7.693 1.00 0.00 H new ATOM 19 N SER A 3 -9.170 -8.036 -8.776 1.00 0.00 N ATOM 20 CA SER A 3 -8.335 -9.195 -9.074 1.00 0.00 C ATOM 21 C SER A 3 -6.871 -8.903 -8.762 1.00 0.00 C ATOM 22 O SER A 3 -6.321 -7.893 -9.198 1.00 0.00 O ATOM 23 CB SER A 3 -8.488 -9.596 -10.542 1.00 0.00 C ATOM 24 OG SER A 3 -7.575 -10.624 -10.887 1.00 0.00 O ATOM 0 H SER A 3 -9.142 -7.303 -9.485 1.00 0.00 H new ATOM 0 HA SER A 3 -8.664 -10.022 -8.444 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.508 -9.934 -10.726 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.321 -8.728 -11.179 1.00 0.00 H new ATOM 0 HG SER A 3 -7.694 -10.864 -11.830 1.00 0.00 H new ATOM 30 N GLY A 4 -6.244 -9.799 -8.005 1.00 0.00 N ATOM 31 CA GLY A 4 -4.848 -9.620 -7.648 1.00 0.00 C ATOM 32 C GLY A 4 -4.676 -8.993 -6.279 1.00 0.00 C ATOM 33 O GLY A 4 -5.497 -9.200 -5.385 1.00 0.00 O ATOM 0 H GLY A 4 -6.677 -10.644 -7.633 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.344 -10.586 -7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.363 -8.992 -8.395 1.00 0.00 H new ATOM 37 N SER A 5 -3.604 -8.223 -6.113 1.00 0.00 N ATOM 38 CA SER A 5 -3.324 -7.567 -4.841 1.00 0.00 C ATOM 39 C SER A 5 -2.276 -6.472 -5.015 1.00 0.00 C ATOM 40 O SER A 5 -1.484 -6.499 -5.957 1.00 0.00 O ATOM 41 CB SER A 5 -2.843 -8.590 -3.811 1.00 0.00 C ATOM 42 OG SER A 5 -2.521 -7.963 -2.582 1.00 0.00 O ATOM 0 H SER A 5 -2.916 -8.039 -6.843 1.00 0.00 H new ATOM 0 HA SER A 5 -4.247 -7.110 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.618 -9.339 -3.649 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.968 -9.114 -4.196 1.00 0.00 H new ATOM 0 HG SER A 5 -2.218 -8.638 -1.940 1.00 0.00 H new ATOM 48 N SER A 6 -2.278 -5.510 -4.099 1.00 0.00 N ATOM 49 CA SER A 6 -1.330 -4.403 -4.150 1.00 0.00 C ATOM 50 C SER A 6 0.105 -4.910 -4.039 1.00 0.00 C ATOM 51 O SER A 6 0.351 -6.001 -3.529 1.00 0.00 O ATOM 52 CB SER A 6 -1.618 -3.402 -3.029 1.00 0.00 C ATOM 53 OG SER A 6 -1.685 -4.052 -1.772 1.00 0.00 O ATOM 0 H SER A 6 -2.926 -5.474 -3.312 1.00 0.00 H new ATOM 0 HA SER A 6 -1.447 -3.903 -5.111 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.838 -2.641 -3.007 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.559 -2.889 -3.228 1.00 0.00 H new ATOM 0 HG SER A 6 -1.868 -3.392 -1.072 1.00 0.00 H new ATOM 59 N GLY A 7 1.049 -4.106 -4.520 1.00 0.00 N ATOM 60 CA GLY A 7 2.448 -4.490 -4.466 1.00 0.00 C ATOM 61 C GLY A 7 3.375 -3.293 -4.393 1.00 0.00 C ATOM 62 O GLY A 7 4.181 -3.067 -5.297 1.00 0.00 O ATOM 0 H GLY A 7 0.870 -3.196 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.613 -5.127 -3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.693 -5.082 -5.347 1.00 0.00 H new ATOM 66 N LEU A 8 3.260 -2.522 -3.317 1.00 0.00 N ATOM 67 CA LEU A 8 4.094 -1.340 -3.131 1.00 0.00 C ATOM 68 C LEU A 8 5.519 -1.733 -2.754 1.00 0.00 C ATOM 69 O LEU A 8 5.758 -2.760 -2.119 1.00 0.00 O ATOM 70 CB LEU A 8 3.498 -0.437 -2.049 1.00 0.00 C ATOM 71 CG LEU A 8 2.220 0.312 -2.430 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.418 0.663 -1.186 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.552 1.566 -3.225 1.00 0.00 C ATOM 0 H LEU A 8 2.598 -2.694 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 8 4.125 -0.795 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.290 -1.046 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.252 0.295 -1.759 1.00 0.00 H new ATOM 0 HG LEU A 8 1.613 -0.340 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.512 1.196 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.148 -0.251 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.018 1.296 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.630 2.085 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.180 2.223 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.084 1.289 -4.135 1.00 0.00 H new ATOM 85 N PRO A 9 6.488 -0.895 -3.151 1.00 0.00 N ATOM 86 CA PRO A 9 7.907 -1.132 -2.863 1.00 0.00 C ATOM 87 C PRO A 9 8.233 -0.964 -1.384 1.00 0.00 C ATOM 88 O PRO A 9 7.426 -0.440 -0.616 1.00 0.00 O ATOM 89 CB PRO A 9 8.621 -0.062 -3.693 1.00 0.00 C ATOM 90 CG PRO A 9 7.616 1.027 -3.852 1.00 0.00 C ATOM 91 CD PRO A 9 6.275 0.347 -3.912 1.00 0.00 C ATOM 0 HA PRO A 9 8.208 -2.151 -3.107 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.518 0.297 -3.188 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.935 -0.455 -4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.662 1.726 -3.017 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.803 1.602 -4.759 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.493 0.962 -3.467 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.974 0.142 -4.939 1.00 0.00 H new ATOM 99 N GLU A 10 9.422 -1.412 -0.990 1.00 0.00 N ATOM 100 CA GLU A 10 9.853 -1.311 0.399 1.00 0.00 C ATOM 101 C GLU A 10 9.906 0.146 0.848 1.00 0.00 C ATOM 102 O GLU A 10 10.469 0.998 0.162 1.00 0.00 O ATOM 103 CB GLU A 10 11.226 -1.962 0.578 1.00 0.00 C ATOM 104 CG GLU A 10 11.172 -3.476 0.699 1.00 0.00 C ATOM 105 CD GLU A 10 12.357 -4.045 1.454 1.00 0.00 C ATOM 106 OE1 GLU A 10 12.310 -4.063 2.702 1.00 0.00 O ATOM 107 OE2 GLU A 10 13.331 -4.470 0.799 1.00 0.00 O ATOM 0 H GLU A 10 10.102 -1.848 -1.613 1.00 0.00 H new ATOM 0 HA GLU A 10 9.126 -1.837 1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.858 -1.696 -0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.700 -1.552 1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.251 -3.763 1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.137 -3.915 -0.298 1.00 0.00 H new ATOM 114 N GLY A 11 9.316 0.425 2.006 1.00 0.00 N ATOM 115 CA GLY A 11 9.305 1.779 2.528 1.00 0.00 C ATOM 116 C GLY A 11 8.004 2.500 2.242 1.00 0.00 C ATOM 117 O GLY A 11 7.472 3.200 3.104 1.00 0.00 O ATOM 0 H GLY A 11 8.845 -0.264 2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.472 1.751 3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.131 2.340 2.091 1.00 0.00 H new ATOM 121 N TRP A 12 7.489 2.332 1.029 1.00 0.00 N ATOM 122 CA TRP A 12 6.242 2.975 0.633 1.00 0.00 C ATOM 123 C TRP A 12 5.051 2.332 1.335 1.00 0.00 C ATOM 124 O TRP A 12 4.874 1.116 1.288 1.00 0.00 O ATOM 125 CB TRP A 12 6.061 2.891 -0.884 1.00 0.00 C ATOM 126 CG TRP A 12 6.888 3.888 -1.637 1.00 0.00 C ATOM 127 CD1 TRP A 12 8.196 3.754 -2.010 1.00 0.00 C ATOM 128 CD2 TRP A 12 6.464 5.172 -2.107 1.00 0.00 C ATOM 129 NE1 TRP A 12 8.610 4.877 -2.683 1.00 0.00 N ATOM 130 CE2 TRP A 12 7.567 5.762 -2.757 1.00 0.00 C ATOM 131 CE3 TRP A 12 5.262 5.880 -2.046 1.00 0.00 C ATOM 132 CZ2 TRP A 12 7.499 7.025 -3.338 1.00 0.00 C ATOM 133 CZ3 TRP A 12 5.196 7.134 -2.622 1.00 0.00 C ATOM 134 CH2 TRP A 12 6.308 7.696 -3.262 1.00 0.00 C ATOM 0 H TRP A 12 7.916 1.756 0.303 1.00 0.00 H new ATOM 0 HA TRP A 12 6.292 4.023 0.929 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.322 1.887 -1.219 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.009 3.045 -1.126 1.00 0.00 H new ATOM 0 HD1 TRP A 12 8.813 2.892 -1.805 1.00 0.00 H new ATOM 0 HE1 TRP A 12 9.543 5.028 -3.066 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.398 5.454 -1.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 8.355 7.460 -3.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.271 7.690 -2.578 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.224 8.678 -3.704 1.00 0.00 H new ATOM 145 N GLU A 13 4.236 3.157 1.985 1.00 0.00 N ATOM 146 CA GLU A 13 3.063 2.668 2.697 1.00 0.00 C ATOM 147 C GLU A 13 1.780 3.205 2.069 1.00 0.00 C ATOM 148 O GLU A 13 1.815 4.134 1.262 1.00 0.00 O ATOM 149 CB GLU A 13 3.128 3.071 4.172 1.00 0.00 C ATOM 150 CG GLU A 13 2.295 2.185 5.084 1.00 0.00 C ATOM 151 CD GLU A 13 2.564 0.708 4.866 1.00 0.00 C ATOM 152 OE1 GLU A 13 3.515 0.182 5.481 1.00 0.00 O ATOM 153 OE2 GLU A 13 1.825 0.080 4.080 1.00 0.00 O ATOM 0 H GLU A 13 4.367 4.167 2.033 1.00 0.00 H new ATOM 0 HA GLU A 13 3.055 1.580 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.166 3.043 4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.789 4.102 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.505 2.439 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.237 2.387 4.914 1.00 0.00 H new ATOM 160 N MET A 14 0.650 2.614 2.443 1.00 0.00 N ATOM 161 CA MET A 14 -0.642 3.034 1.917 1.00 0.00 C ATOM 162 C MET A 14 -1.589 3.425 3.048 1.00 0.00 C ATOM 163 O MET A 14 -1.687 2.727 4.057 1.00 0.00 O ATOM 164 CB MET A 14 -1.265 1.914 1.080 1.00 0.00 C ATOM 165 CG MET A 14 -2.510 2.342 0.321 1.00 0.00 C ATOM 166 SD MET A 14 -3.167 1.034 -0.731 1.00 0.00 S ATOM 167 CE MET A 14 -3.648 1.972 -2.178 1.00 0.00 C ATOM 0 H MET A 14 0.604 1.843 3.109 1.00 0.00 H new ATOM 0 HA MET A 14 -0.481 3.906 1.283 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.524 1.548 0.369 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.518 1.080 1.735 1.00 0.00 H new ATOM 0 HG2 MET A 14 -3.276 2.650 1.032 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.276 3.212 -0.292 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.074 1.299 -2.923 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.390 2.719 -1.897 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.773 2.469 -2.597 1.00 0.00 H new ATOM 177 N ARG A 15 -2.283 4.544 2.872 1.00 0.00 N ATOM 178 CA ARG A 15 -3.220 5.029 3.879 1.00 0.00 C ATOM 179 C ARG A 15 -4.298 5.901 3.242 1.00 0.00 C ATOM 180 O ARG A 15 -4.207 6.263 2.069 1.00 0.00 O ATOM 181 CB ARG A 15 -2.478 5.821 4.957 1.00 0.00 C ATOM 182 CG ARG A 15 -1.437 5.004 5.704 1.00 0.00 C ATOM 183 CD ARG A 15 -1.085 5.640 7.041 1.00 0.00 C ATOM 184 NE ARG A 15 -1.957 5.171 8.115 1.00 0.00 N ATOM 185 CZ ARG A 15 -1.799 4.008 8.734 1.00 0.00 C ATOM 186 NH1 ARG A 15 -0.807 3.197 8.389 1.00 0.00 N ATOM 187 NH2 ARG A 15 -2.633 3.652 9.703 1.00 0.00 N ATOM 0 H ARG A 15 -2.215 5.132 2.042 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.700 4.166 4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.991 6.679 4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.202 6.212 5.672 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.814 3.994 5.868 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.538 4.914 5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.049 5.412 7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.162 6.724 6.959 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.730 5.770 8.405 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.163 3.467 7.646 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.689 2.304 8.867 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.396 4.273 9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.511 2.758 10.178 1.00 0.00 H new ATOM 201 N PHE A 16 -5.320 6.234 4.025 1.00 0.00 N ATOM 202 CA PHE A 16 -6.417 7.063 3.538 1.00 0.00 C ATOM 203 C PHE A 16 -6.791 8.128 4.564 1.00 0.00 C ATOM 204 O PHE A 16 -7.010 7.827 5.738 1.00 0.00 O ATOM 205 CB PHE A 16 -7.636 6.195 3.219 1.00 0.00 C ATOM 206 CG PHE A 16 -7.410 5.239 2.083 1.00 0.00 C ATOM 207 CD1 PHE A 16 -6.592 4.132 2.243 1.00 0.00 C ATOM 208 CD2 PHE A 16 -8.017 5.446 0.855 1.00 0.00 C ATOM 209 CE1 PHE A 16 -6.382 3.251 1.200 1.00 0.00 C ATOM 210 CE2 PHE A 16 -7.812 4.568 -0.193 1.00 0.00 C ATOM 211 CZ PHE A 16 -6.993 3.468 -0.020 1.00 0.00 C ATOM 0 H PHE A 16 -5.411 5.943 4.998 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.086 7.562 2.627 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -7.913 5.630 4.109 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.479 6.842 2.977 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.113 3.956 3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -8.658 6.304 0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.741 2.393 1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.291 4.741 -1.145 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.831 2.780 -0.837 1.00 0.00 H new ATOM 221 N THR A 17 -6.863 9.376 4.114 1.00 0.00 N ATOM 222 CA THR A 17 -7.208 10.487 4.991 1.00 0.00 C ATOM 223 C THR A 17 -8.669 10.415 5.420 1.00 0.00 C ATOM 224 O THR A 17 -9.439 9.604 4.904 1.00 0.00 O ATOM 225 CB THR A 17 -6.952 11.844 4.307 1.00 0.00 C ATOM 226 OG1 THR A 17 -7.718 11.937 3.101 1.00 0.00 O ATOM 227 CG2 THR A 17 -5.474 12.020 3.992 1.00 0.00 C ATOM 0 H THR A 17 -6.687 9.643 3.145 1.00 0.00 H new ATOM 0 HA THR A 17 -6.569 10.406 5.870 1.00 0.00 H new ATOM 0 HB THR A 17 -7.258 12.635 4.992 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.551 12.803 2.673 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.317 12.985 3.510 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.898 11.978 4.916 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.147 11.223 3.324 1.00 0.00 H new ATOM 235 N VAL A 18 -9.045 11.268 6.368 1.00 0.00 N ATOM 236 CA VAL A 18 -10.415 11.302 6.865 1.00 0.00 C ATOM 237 C VAL A 18 -11.418 11.169 5.724 1.00 0.00 C ATOM 238 O VAL A 18 -12.376 10.402 5.812 1.00 0.00 O ATOM 239 CB VAL A 18 -10.701 12.605 7.636 1.00 0.00 C ATOM 240 CG1 VAL A 18 -9.825 12.694 8.877 1.00 0.00 C ATOM 241 CG2 VAL A 18 -10.490 13.813 6.736 1.00 0.00 C ATOM 0 H VAL A 18 -8.420 11.944 6.807 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.526 10.456 7.543 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.743 12.597 7.956 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.041 13.621 9.409 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.030 11.845 9.529 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.775 12.680 8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.696 14.725 7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.458 13.829 6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -11.164 13.752 5.881 1.00 0.00 H new ATOM 251 N ASP A 19 -11.190 11.922 4.654 1.00 0.00 N ATOM 252 CA ASP A 19 -12.073 11.889 3.493 1.00 0.00 C ATOM 253 C ASP A 19 -12.070 10.506 2.850 1.00 0.00 C ATOM 254 O ASP A 19 -13.100 10.031 2.371 1.00 0.00 O ATOM 255 CB ASP A 19 -11.645 12.942 2.470 1.00 0.00 C ATOM 256 CG ASP A 19 -12.197 14.317 2.788 1.00 0.00 C ATOM 257 OD1 ASP A 19 -11.586 15.026 3.614 1.00 0.00 O ATOM 258 OD2 ASP A 19 -13.241 14.684 2.210 1.00 0.00 O ATOM 0 H ASP A 19 -10.401 12.563 4.566 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.085 12.112 3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.557 12.990 2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.982 12.639 1.479 1.00 0.00 H new ATOM 263 N GLY A 20 -10.906 9.864 2.840 1.00 0.00 N ATOM 264 CA GLY A 20 -10.793 8.542 2.251 1.00 0.00 C ATOM 265 C GLY A 20 -10.036 8.557 0.937 1.00 0.00 C ATOM 266 O GLY A 20 -10.376 7.819 0.011 1.00 0.00 O ATOM 0 H GLY A 20 -10.039 10.235 3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.287 7.877 2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.790 8.133 2.088 1.00 0.00 H new ATOM 270 N ILE A 21 -9.012 9.398 0.855 1.00 0.00 N ATOM 271 CA ILE A 21 -8.207 9.504 -0.356 1.00 0.00 C ATOM 272 C ILE A 21 -6.997 8.577 -0.296 1.00 0.00 C ATOM 273 O ILE A 21 -6.254 8.549 0.684 1.00 0.00 O ATOM 274 CB ILE A 21 -7.722 10.948 -0.584 1.00 0.00 C ATOM 275 CG1 ILE A 21 -8.871 11.819 -1.096 1.00 0.00 C ATOM 276 CG2 ILE A 21 -6.558 10.967 -1.564 1.00 0.00 C ATOM 277 CD1 ILE A 21 -8.539 13.295 -1.134 1.00 0.00 C ATOM 0 H ILE A 21 -8.720 10.016 1.612 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.847 9.208 -1.187 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.378 11.355 0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.147 11.491 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.743 11.667 -0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.226 11.994 -1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.735 10.375 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.878 10.545 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.399 13.852 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.292 13.638 -0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.687 13.459 -1.793 1.00 0.00 H new ATOM 289 N PRO A 22 -6.794 7.800 -1.371 1.00 0.00 N ATOM 290 CA PRO A 22 -5.674 6.859 -1.465 1.00 0.00 C ATOM 291 C PRO A 22 -4.331 7.568 -1.602 1.00 0.00 C ATOM 292 O PRO A 22 -3.904 7.901 -2.708 1.00 0.00 O ATOM 293 CB PRO A 22 -5.989 6.060 -2.734 1.00 0.00 C ATOM 294 CG PRO A 22 -6.836 6.971 -3.553 1.00 0.00 C ATOM 295 CD PRO A 22 -7.641 7.781 -2.575 1.00 0.00 C ATOM 0 HA PRO A 22 -5.581 6.245 -0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.078 5.783 -3.264 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.515 5.135 -2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.221 7.616 -4.181 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.487 6.405 -4.219 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.832 8.787 -2.948 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.611 7.325 -2.377 1.00 0.00 H new ATOM 303 N TYR A 23 -3.670 7.796 -0.472 1.00 0.00 N ATOM 304 CA TYR A 23 -2.376 8.467 -0.466 1.00 0.00 C ATOM 305 C TYR A 23 -1.293 7.558 0.107 1.00 0.00 C ATOM 306 O TYR A 23 -1.584 6.613 0.841 1.00 0.00 O ATOM 307 CB TYR A 23 -2.453 9.760 0.347 1.00 0.00 C ATOM 308 CG TYR A 23 -2.442 9.538 1.843 1.00 0.00 C ATOM 309 CD1 TYR A 23 -3.605 9.197 2.523 1.00 0.00 C ATOM 310 CD2 TYR A 23 -1.268 9.667 2.574 1.00 0.00 C ATOM 311 CE1 TYR A 23 -3.599 8.994 3.889 1.00 0.00 C ATOM 312 CE2 TYR A 23 -1.253 9.464 3.941 1.00 0.00 C ATOM 313 CZ TYR A 23 -2.420 9.127 4.594 1.00 0.00 C ATOM 314 OH TYR A 23 -2.410 8.924 5.954 1.00 0.00 O ATOM 0 H TYR A 23 -4.009 7.526 0.451 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.116 8.707 -1.497 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.612 10.399 0.077 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -3.362 10.297 0.075 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.529 9.089 1.974 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.352 9.930 2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.512 8.733 4.403 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.332 9.569 4.495 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.502 9.055 6.298 1.00 0.00 H new ATOM 324 N PHE A 24 -0.043 7.849 -0.235 1.00 0.00 N ATOM 325 CA PHE A 24 1.085 7.059 0.244 1.00 0.00 C ATOM 326 C PHE A 24 1.996 7.896 1.138 1.00 0.00 C ATOM 327 O PHE A 24 2.007 9.125 1.055 1.00 0.00 O ATOM 328 CB PHE A 24 1.883 6.503 -0.937 1.00 0.00 C ATOM 329 CG PHE A 24 1.044 5.731 -1.917 1.00 0.00 C ATOM 330 CD1 PHE A 24 0.791 4.384 -1.721 1.00 0.00 C ATOM 331 CD2 PHE A 24 0.511 6.355 -3.033 1.00 0.00 C ATOM 332 CE1 PHE A 24 0.020 3.671 -2.620 1.00 0.00 C ATOM 333 CE2 PHE A 24 -0.261 5.648 -3.935 1.00 0.00 C ATOM 334 CZ PHE A 24 -0.507 4.305 -3.729 1.00 0.00 C ATOM 0 H PHE A 24 0.215 8.627 -0.843 1.00 0.00 H new ATOM 0 HA PHE A 24 0.691 6.229 0.831 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.369 7.328 -1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.674 5.855 -0.558 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.201 3.884 -0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.701 7.405 -3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.170 2.621 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.672 6.146 -4.801 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.110 3.751 -4.433 1.00 0.00 H new ATOM 344 N VAL A 25 2.758 7.222 1.993 1.00 0.00 N ATOM 345 CA VAL A 25 3.673 7.902 2.902 1.00 0.00 C ATOM 346 C VAL A 25 5.070 7.296 2.831 1.00 0.00 C ATOM 347 O VAL A 25 5.234 6.079 2.898 1.00 0.00 O ATOM 348 CB VAL A 25 3.170 7.836 4.356 1.00 0.00 C ATOM 349 CG1 VAL A 25 4.099 8.611 5.279 1.00 0.00 C ATOM 350 CG2 VAL A 25 1.747 8.364 4.453 1.00 0.00 C ATOM 0 H VAL A 25 2.760 6.205 2.075 1.00 0.00 H new ATOM 0 HA VAL A 25 3.716 8.945 2.587 1.00 0.00 H new ATOM 0 HB VAL A 25 3.168 6.793 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.727 8.553 6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.100 8.182 5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.136 9.654 4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.408 8.310 5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.720 9.400 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.092 7.761 3.825 1.00 0.00 H new ATOM 360 N ASP A 26 6.075 8.156 2.695 1.00 0.00 N ATOM 361 CA ASP A 26 7.459 7.706 2.616 1.00 0.00 C ATOM 362 C ASP A 26 8.138 7.796 3.979 1.00 0.00 C ATOM 363 O ASP A 26 8.123 8.845 4.624 1.00 0.00 O ATOM 364 CB ASP A 26 8.231 8.540 1.591 1.00 0.00 C ATOM 365 CG ASP A 26 9.350 7.758 0.932 1.00 0.00 C ATOM 366 OD1 ASP A 26 10.052 7.011 1.646 1.00 0.00 O ATOM 367 OD2 ASP A 26 9.522 7.891 -0.297 1.00 0.00 O ATOM 0 H ASP A 26 5.956 9.167 2.637 1.00 0.00 H new ATOM 0 HA ASP A 26 7.459 6.663 2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.542 8.898 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.647 9.420 2.082 1.00 0.00 H new ATOM 372 N HIS A 27 8.732 6.688 4.413 1.00 0.00 N ATOM 373 CA HIS A 27 9.417 6.642 5.700 1.00 0.00 C ATOM 374 C HIS A 27 10.877 7.056 5.554 1.00 0.00 C ATOM 375 O HIS A 27 11.415 7.775 6.394 1.00 0.00 O ATOM 376 CB HIS A 27 9.330 5.236 6.297 1.00 0.00 C ATOM 377 CG HIS A 27 8.026 4.955 6.978 1.00 0.00 C ATOM 378 ND1 HIS A 27 7.735 5.387 8.254 1.00 0.00 N ATOM 379 CD2 HIS A 27 6.932 4.281 6.552 1.00 0.00 C ATOM 380 CE1 HIS A 27 6.520 4.989 8.585 1.00 0.00 C ATOM 381 NE2 HIS A 27 6.011 4.317 7.568 1.00 0.00 N ATOM 0 H HIS A 27 8.753 5.811 3.893 1.00 0.00 H new ATOM 0 HA HIS A 27 8.925 7.345 6.371 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.482 4.503 5.504 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.141 5.103 7.013 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.807 3.804 5.591 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.027 5.180 9.527 1.00 0.00 H new ATOM 0 HE2 HIS A 27 5.083 3.893 7.542 1.00 0.00 H new ATOM 389 N ASN A 28 11.514 6.595 4.481 1.00 0.00 N ATOM 390 CA ASN A 28 12.913 6.918 4.225 1.00 0.00 C ATOM 391 C ASN A 28 13.073 8.386 3.846 1.00 0.00 C ATOM 392 O ASN A 28 13.938 9.085 4.377 1.00 0.00 O ATOM 393 CB ASN A 28 13.468 6.028 3.111 1.00 0.00 C ATOM 394 CG ASN A 28 13.592 4.578 3.537 1.00 0.00 C ATOM 395 OD1 ASN A 28 14.124 4.278 4.606 1.00 0.00 O ATOM 396 ND2 ASN A 28 13.104 3.671 2.699 1.00 0.00 N ATOM 0 H ASN A 28 11.083 5.997 3.776 1.00 0.00 H new ATOM 0 HA ASN A 28 13.475 6.735 5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.817 6.093 2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.447 6.399 2.807 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.162 2.679 2.931 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.671 3.966 1.824 1.00 0.00 H new ATOM 403 N ARG A 29 12.233 8.849 2.926 1.00 0.00 N ATOM 404 CA ARG A 29 12.282 10.234 2.475 1.00 0.00 C ATOM 405 C ARG A 29 11.497 11.142 3.418 1.00 0.00 C ATOM 406 O ARG A 29 11.723 12.350 3.466 1.00 0.00 O ATOM 407 CB ARG A 29 11.722 10.351 1.056 1.00 0.00 C ATOM 408 CG ARG A 29 12.764 10.135 -0.030 1.00 0.00 C ATOM 409 CD ARG A 29 13.841 11.208 0.010 1.00 0.00 C ATOM 410 NE ARG A 29 14.402 11.469 -1.312 1.00 0.00 N ATOM 411 CZ ARG A 29 15.202 10.623 -1.951 1.00 0.00 C ATOM 412 NH1 ARG A 29 15.532 9.466 -1.393 1.00 0.00 N ATOM 413 NH2 ARG A 29 15.674 10.931 -3.152 1.00 0.00 N ATOM 0 H ARG A 29 11.510 8.285 2.479 1.00 0.00 H new ATOM 0 HA ARG A 29 13.325 10.552 2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.921 9.622 0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.278 11.338 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.222 9.154 0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.280 10.140 -1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.420 12.129 0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 29 14.637 10.898 0.687 1.00 0.00 H new ATOM 0 HE ARG A 29 14.167 12.349 -1.770 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.171 9.223 -0.470 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.147 8.819 -1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.423 11.819 -3.586 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.288 10.280 -3.641 1.00 0.00 H new ATOM 427 N ARG A 30 10.573 10.549 4.168 1.00 0.00 N ATOM 428 CA ARG A 30 9.754 11.303 5.109 1.00 0.00 C ATOM 429 C ARG A 30 8.959 12.388 4.390 1.00 0.00 C ATOM 430 O ARG A 30 8.874 13.524 4.856 1.00 0.00 O ATOM 431 CB ARG A 30 10.632 11.933 6.192 1.00 0.00 C ATOM 432 CG ARG A 30 11.089 10.947 7.255 1.00 0.00 C ATOM 433 CD ARG A 30 10.057 10.806 8.364 1.00 0.00 C ATOM 434 NE ARG A 30 10.404 9.743 9.303 1.00 0.00 N ATOM 435 CZ ARG A 30 9.814 9.582 10.482 1.00 0.00 C ATOM 436 NH1 ARG A 30 8.851 10.410 10.864 1.00 0.00 N ATOM 437 NH2 ARG A 30 10.186 8.591 11.281 1.00 0.00 N ATOM 0 H ARG A 30 10.373 9.549 4.142 1.00 0.00 H new ATOM 0 HA ARG A 30 9.053 10.611 5.576 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.508 12.381 5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.079 12.741 6.671 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.268 9.974 6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 30 12.037 11.280 7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.971 11.750 8.901 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.081 10.598 7.926 1.00 0.00 H new ATOM 0 HE ARG A 30 11.140 9.088 9.039 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.562 11.173 10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.400 10.284 11.770 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.926 7.952 10.990 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.732 8.468 12.186 1.00 0.00 H new ATOM 451 N THR A 31 8.375 12.030 3.249 1.00 0.00 N ATOM 452 CA THR A 31 7.589 12.972 2.464 1.00 0.00 C ATOM 453 C THR A 31 6.247 12.369 2.065 1.00 0.00 C ATOM 454 O THR A 31 6.037 11.161 2.183 1.00 0.00 O ATOM 455 CB THR A 31 8.341 13.410 1.193 1.00 0.00 C ATOM 456 OG1 THR A 31 7.653 14.499 0.567 1.00 0.00 O ATOM 457 CG2 THR A 31 8.468 12.253 0.214 1.00 0.00 C ATOM 0 H THR A 31 8.433 11.093 2.849 1.00 0.00 H new ATOM 0 HA THR A 31 7.419 13.845 3.095 1.00 0.00 H new ATOM 0 HB THR A 31 9.342 13.732 1.482 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.138 14.773 -0.239 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.002 12.586 -0.676 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.018 11.438 0.684 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.475 11.905 -0.069 1.00 0.00 H new ATOM 465 N THR A 32 5.341 13.217 1.588 1.00 0.00 N ATOM 466 CA THR A 32 4.018 12.767 1.171 1.00 0.00 C ATOM 467 C THR A 32 3.664 13.309 -0.209 1.00 0.00 C ATOM 468 O THR A 32 3.980 14.452 -0.539 1.00 0.00 O ATOM 469 CB THR A 32 2.935 13.202 2.175 1.00 0.00 C ATOM 470 OG1 THR A 32 3.093 14.588 2.498 1.00 0.00 O ATOM 471 CG2 THR A 32 3.007 12.368 3.445 1.00 0.00 C ATOM 0 H THR A 32 5.499 14.219 1.481 1.00 0.00 H new ATOM 0 HA THR A 32 4.051 11.678 1.133 1.00 0.00 H new ATOM 0 HB THR A 32 1.960 13.047 1.713 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.399 14.856 3.136 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.232 12.694 4.139 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.855 11.317 3.199 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.985 12.494 3.908 1.00 0.00 H new ATOM 479 N THR A 33 3.004 12.481 -1.013 1.00 0.00 N ATOM 480 CA THR A 33 2.607 12.876 -2.358 1.00 0.00 C ATOM 481 C THR A 33 1.373 12.108 -2.816 1.00 0.00 C ATOM 482 O THR A 33 1.115 10.996 -2.353 1.00 0.00 O ATOM 483 CB THR A 33 3.745 12.646 -3.371 1.00 0.00 C ATOM 484 OG1 THR A 33 3.356 13.128 -4.662 1.00 0.00 O ATOM 485 CG2 THR A 33 4.099 11.170 -3.461 1.00 0.00 C ATOM 0 H THR A 33 2.733 11.532 -0.755 1.00 0.00 H new ATOM 0 HA THR A 33 2.375 13.940 -2.318 1.00 0.00 H new ATOM 0 HB THR A 33 4.623 13.194 -3.028 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.085 12.980 -5.300 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.905 11.032 -4.182 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.422 10.813 -2.483 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.224 10.605 -3.782 1.00 0.00 H new ATOM 493 N TYR A 34 0.613 12.706 -3.726 1.00 0.00 N ATOM 494 CA TYR A 34 -0.597 12.078 -4.245 1.00 0.00 C ATOM 495 C TYR A 34 -0.268 11.127 -5.392 1.00 0.00 C ATOM 496 O TYR A 34 -0.912 10.091 -5.559 1.00 0.00 O ATOM 497 CB TYR A 34 -1.587 13.142 -4.719 1.00 0.00 C ATOM 498 CG TYR A 34 -2.206 13.939 -3.591 1.00 0.00 C ATOM 499 CD1 TYR A 34 -2.815 13.302 -2.517 1.00 0.00 C ATOM 500 CD2 TYR A 34 -2.178 15.328 -3.600 1.00 0.00 C ATOM 501 CE1 TYR A 34 -3.381 14.025 -1.486 1.00 0.00 C ATOM 502 CE2 TYR A 34 -2.741 16.059 -2.573 1.00 0.00 C ATOM 503 CZ TYR A 34 -3.342 15.404 -1.518 1.00 0.00 C ATOM 504 OH TYR A 34 -3.904 16.128 -0.492 1.00 0.00 O ATOM 0 H TYR A 34 0.813 13.625 -4.120 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.051 11.503 -3.438 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.076 13.825 -5.398 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.380 12.660 -5.290 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.846 12.223 -2.488 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.708 15.844 -4.424 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.852 13.514 -0.659 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.711 17.138 -2.595 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.790 17.086 -0.667 1.00 0.00 H new ATOM 514 N ILE A 35 0.741 11.487 -6.179 1.00 0.00 N ATOM 515 CA ILE A 35 1.157 10.666 -7.310 1.00 0.00 C ATOM 516 C ILE A 35 1.554 9.266 -6.855 1.00 0.00 C ATOM 517 O ILE A 35 2.222 9.098 -5.835 1.00 0.00 O ATOM 518 CB ILE A 35 2.340 11.304 -8.062 1.00 0.00 C ATOM 519 CG1 ILE A 35 1.963 12.702 -8.557 1.00 0.00 C ATOM 520 CG2 ILE A 35 2.764 10.420 -9.226 1.00 0.00 C ATOM 521 CD1 ILE A 35 2.960 13.286 -9.533 1.00 0.00 C ATOM 0 H ILE A 35 1.285 12.341 -6.054 1.00 0.00 H new ATOM 0 HA ILE A 35 0.303 10.598 -7.983 1.00 0.00 H new ATOM 0 HB ILE A 35 3.182 11.397 -7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.983 12.658 -9.033 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.871 13.370 -7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.601 10.883 -9.749 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.067 9.443 -8.849 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.928 10.300 -9.915 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.629 14.278 -9.842 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.936 13.362 -9.054 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.034 12.640 -10.408 1.00 0.00 H new ATOM 533 N ASP A 36 1.139 8.262 -7.621 1.00 0.00 N ATOM 534 CA ASP A 36 1.453 6.875 -7.298 1.00 0.00 C ATOM 535 C ASP A 36 2.902 6.551 -7.649 1.00 0.00 C ATOM 536 O ASP A 36 3.411 6.928 -8.704 1.00 0.00 O ATOM 537 CB ASP A 36 0.511 5.929 -8.045 1.00 0.00 C ATOM 538 CG ASP A 36 0.426 4.563 -7.395 1.00 0.00 C ATOM 539 OD1 ASP A 36 -0.001 4.489 -6.223 1.00 0.00 O ATOM 540 OD2 ASP A 36 0.786 3.567 -8.056 1.00 0.00 O ATOM 0 H ASP A 36 0.585 8.383 -8.469 1.00 0.00 H new ATOM 0 HA ASP A 36 1.318 6.738 -6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.485 6.371 -8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.854 5.818 -9.074 1.00 0.00 H new ATOM 545 N PRO A 37 3.584 5.834 -6.743 1.00 0.00 N ATOM 546 CA PRO A 37 4.984 5.444 -6.934 1.00 0.00 C ATOM 547 C PRO A 37 5.149 4.397 -8.031 1.00 0.00 C ATOM 548 O PRO A 37 6.183 4.341 -8.697 1.00 0.00 O ATOM 549 CB PRO A 37 5.378 4.860 -5.575 1.00 0.00 C ATOM 550 CG PRO A 37 4.096 4.395 -4.976 1.00 0.00 C ATOM 551 CD PRO A 37 3.041 5.350 -5.463 1.00 0.00 C ATOM 0 HA PRO A 37 5.602 6.285 -7.248 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.084 4.037 -5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.860 5.609 -4.947 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.870 3.374 -5.283 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.151 4.396 -3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.080 4.853 -5.596 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.883 6.167 -4.759 1.00 0.00 H new ATOM 559 N ARG A 38 4.125 3.571 -8.214 1.00 0.00 N ATOM 560 CA ARG A 38 4.158 2.526 -9.230 1.00 0.00 C ATOM 561 C ARG A 38 4.008 3.121 -10.627 1.00 0.00 C ATOM 562 O ARG A 38 4.775 2.801 -11.536 1.00 0.00 O ATOM 563 CB ARG A 38 3.048 1.504 -8.977 1.00 0.00 C ATOM 564 CG ARG A 38 3.167 0.792 -7.639 1.00 0.00 C ATOM 565 CD ARG A 38 2.063 -0.235 -7.453 1.00 0.00 C ATOM 566 NE ARG A 38 2.159 -1.323 -8.424 1.00 0.00 N ATOM 567 CZ ARG A 38 1.641 -1.266 -9.645 1.00 0.00 C ATOM 568 NH1 ARG A 38 0.993 -0.180 -10.045 1.00 0.00 N ATOM 569 NH2 ARG A 38 1.769 -2.297 -10.470 1.00 0.00 N ATOM 0 H ARG A 38 3.262 3.605 -7.672 1.00 0.00 H new ATOM 0 HA ARG A 38 5.124 2.025 -9.169 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.083 2.009 -9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.060 0.762 -9.776 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.137 0.300 -7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.125 1.523 -6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.114 -0.644 -6.444 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.093 0.253 -7.550 1.00 0.00 H new ATOM 0 HE ARG A 38 2.651 -2.173 -8.148 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.891 0.615 -9.414 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.596 -0.140 -10.984 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.266 -3.135 -10.166 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.371 -2.252 -11.408 1.00 0.00 H new ATOM 583 N THR A 39 3.014 3.989 -10.791 1.00 0.00 N ATOM 584 CA THR A 39 2.762 4.627 -12.076 1.00 0.00 C ATOM 585 C THR A 39 3.800 5.704 -12.369 1.00 0.00 C ATOM 586 O THR A 39 4.438 5.697 -13.421 1.00 0.00 O ATOM 587 CB THR A 39 1.358 5.258 -12.125 1.00 0.00 C ATOM 588 OG1 THR A 39 0.366 4.269 -11.828 1.00 0.00 O ATOM 589 CG2 THR A 39 1.083 5.864 -13.493 1.00 0.00 C ATOM 0 H THR A 39 2.371 4.266 -10.049 1.00 0.00 H new ATOM 0 HA THR A 39 2.828 3.846 -12.834 1.00 0.00 H new ATOM 0 HB THR A 39 1.315 6.052 -11.379 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.524 4.678 -11.859 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.085 6.303 -13.502 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.822 6.637 -13.704 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.144 5.086 -14.254 1.00 0.00 H new ATOM 597 N GLY A 40 3.967 6.630 -11.429 1.00 0.00 N ATOM 598 CA GLY A 40 4.930 7.701 -11.605 1.00 0.00 C ATOM 599 C GLY A 40 4.509 8.690 -12.674 1.00 0.00 C ATOM 600 O GLY A 40 4.942 9.843 -12.668 1.00 0.00 O ATOM 0 H GLY A 40 3.452 6.657 -10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.061 8.227 -10.659 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.898 7.275 -11.869 1.00 0.00 H new TER 604 GLY A 40