USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 508 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 ASN : amide:sc= -1.21 K(o=-1.2,f=0) USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0.0303 USER MOD Set 2.2: A 26 ASN : amide:sc= -0.209 X(o=-0.18,f=0.068) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 1.24 K(o=1.2,f=-0.092) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= 1.04 (180deg=0.242) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= -0.0386 (180deg=-0.22) USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 0.356 (180deg=0.347) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-4.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.507 K(o=0.51,f=-9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc=-0.00417 (180deg=-0.0906) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0695 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0469 USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= 2.48 (180deg=2.17) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -12.789 -1.547 -2.152 1.00 0.00 N ATOM 21 CA ALA A 2 -11.618 -1.185 -1.371 1.00 0.00 C ATOM 22 C ALA A 2 -11.464 -2.105 -0.166 1.00 0.00 C ATOM 23 O ALA A 2 -12.328 -2.150 0.713 1.00 0.00 O ATOM 24 CB ALA A 2 -11.704 0.268 -0.933 1.00 0.00 C ATOM 0 HA ALA A 2 -10.735 -1.305 -1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.820 0.525 -0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.757 0.910 -1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.596 0.412 -0.323 1.00 0.00 H new ATOM 30 N MET A 3 -10.375 -2.851 -0.146 1.00 0.00 N ATOM 31 CA MET A 3 -10.074 -3.733 0.969 1.00 0.00 C ATOM 32 C MET A 3 -8.997 -3.110 1.841 1.00 0.00 C ATOM 33 O MET A 3 -8.282 -2.208 1.401 1.00 0.00 O ATOM 34 CB MET A 3 -9.626 -5.111 0.474 1.00 0.00 C ATOM 35 CG MET A 3 -10.757 -5.945 -0.106 1.00 0.00 C ATOM 36 SD MET A 3 -10.197 -7.544 -0.725 1.00 0.00 S ATOM 37 CE MET A 3 -11.770 -8.321 -1.088 1.00 0.00 C ATOM 0 H MET A 3 -9.680 -2.864 -0.893 1.00 0.00 H new ATOM 0 HA MET A 3 -10.981 -3.867 1.559 1.00 0.00 H new ATOM 0 HB2 MET A 3 -8.854 -4.982 -0.285 1.00 0.00 H new ATOM 0 HB3 MET A 3 -9.171 -5.655 1.302 1.00 0.00 H new ATOM 0 HG2 MET A 3 -11.516 -6.102 0.660 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.232 -5.392 -0.917 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.599 -9.323 -1.482 1.00 0.00 H new ATOM 0 HE2 MET A 3 -12.363 -8.386 -0.176 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.307 -7.727 -1.828 1.00 0.00 H new ATOM 47 N ASN A 4 -8.890 -3.577 3.077 1.00 0.00 N ATOM 48 CA ASN A 4 -7.919 -3.022 4.004 1.00 0.00 C ATOM 49 C ASN A 4 -6.620 -3.810 3.972 1.00 0.00 C ATOM 50 O ASN A 4 -6.610 -5.003 3.659 1.00 0.00 O ATOM 51 CB ASN A 4 -8.469 -2.994 5.436 1.00 0.00 C ATOM 52 CG ASN A 4 -8.669 -4.377 6.036 1.00 0.00 C ATOM 53 OD1 ASN A 4 -7.746 -4.959 6.612 1.00 0.00 O ATOM 54 ND2 ASN A 4 -9.883 -4.895 5.935 1.00 0.00 N ATOM 0 H ASN A 4 -9.460 -4.333 3.457 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.719 -1.999 3.686 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.785 -2.428 6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.421 -2.463 5.441 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.083 -5.809 6.342 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.618 -4.381 5.450 1.00 0.00 H new ATOM 61 N GLY A 5 -5.532 -3.129 4.283 1.00 0.00 N ATOM 62 CA GLY A 5 -4.243 -3.778 4.384 1.00 0.00 C ATOM 63 C GLY A 5 -3.343 -3.069 5.375 1.00 0.00 C ATOM 64 O GLY A 5 -3.587 -1.912 5.716 1.00 0.00 O ATOM 0 H GLY A 5 -5.518 -2.126 4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.379 -4.815 4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.765 -3.796 3.404 1.00 0.00 H new ATOM 68 N THR A 6 -2.311 -3.750 5.843 1.00 0.00 N ATOM 69 CA THR A 6 -1.387 -3.157 6.792 1.00 0.00 C ATOM 70 C THR A 6 -0.029 -2.940 6.141 1.00 0.00 C ATOM 71 O THR A 6 0.514 -3.837 5.492 1.00 0.00 O ATOM 72 CB THR A 6 -1.203 -4.043 8.030 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.464 -4.601 8.427 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.615 -3.248 9.186 1.00 0.00 C ATOM 0 H THR A 6 -2.093 -4.712 5.582 1.00 0.00 H new ATOM 0 HA THR A 6 -1.812 -2.203 7.102 1.00 0.00 H new ATOM 0 HB THR A 6 -0.512 -4.846 7.771 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.337 -5.167 9.217 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.495 -3.899 10.052 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.356 -2.847 8.895 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.285 -2.427 9.441 1.00 0.00 H new ATOM 82 N ILE A 7 0.514 -1.752 6.324 1.00 0.00 N ATOM 83 CA ILE A 7 1.784 -1.378 5.712 1.00 0.00 C ATOM 84 C ILE A 7 2.923 -2.199 6.305 1.00 0.00 C ATOM 85 O ILE A 7 3.265 -2.054 7.483 1.00 0.00 O ATOM 86 CB ILE A 7 2.067 0.130 5.890 1.00 0.00 C ATOM 87 CG1 ILE A 7 0.908 0.951 5.307 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.386 0.509 5.224 1.00 0.00 C ATOM 89 CD1 ILE A 7 1.043 2.444 5.520 1.00 0.00 C ATOM 0 H ILE A 7 0.094 -1.020 6.897 1.00 0.00 H new ATOM 0 HA ILE A 7 1.715 -1.587 4.645 1.00 0.00 H new ATOM 0 HB ILE A 7 2.151 0.351 6.954 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.837 0.752 4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.026 0.613 5.757 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.569 1.575 5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.199 -0.059 5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.334 0.282 4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.186 2.953 5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.082 2.657 6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.958 2.798 5.045 1.00 0.00 H new ATOM 101 N THR A 8 3.503 -3.066 5.483 1.00 0.00 N ATOM 102 CA THR A 8 4.517 -3.998 5.947 1.00 0.00 C ATOM 103 C THR A 8 5.916 -3.511 5.580 1.00 0.00 C ATOM 104 O THR A 8 6.843 -3.570 6.387 1.00 0.00 O ATOM 105 CB THR A 8 4.280 -5.391 5.333 1.00 0.00 C ATOM 106 OG1 THR A 8 2.876 -5.681 5.320 1.00 0.00 O ATOM 107 CG2 THR A 8 5.010 -6.463 6.125 1.00 0.00 C ATOM 0 H THR A 8 3.286 -3.141 4.489 1.00 0.00 H new ATOM 0 HA THR A 8 4.443 -4.062 7.033 1.00 0.00 H new ATOM 0 HB THR A 8 4.666 -5.387 4.314 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.729 -6.567 4.927 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.827 -7.438 5.672 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.080 -6.255 6.119 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.647 -6.467 7.153 1.00 0.00 H new ATOM 115 N THR A 9 6.057 -3.033 4.354 1.00 0.00 N ATOM 116 CA THR A 9 7.328 -2.539 3.857 1.00 0.00 C ATOM 117 C THR A 9 7.080 -1.377 2.902 1.00 0.00 C ATOM 118 O THR A 9 6.127 -1.409 2.127 1.00 0.00 O ATOM 119 CB THR A 9 8.101 -3.660 3.129 1.00 0.00 C ATOM 120 OG1 THR A 9 8.164 -4.825 3.965 1.00 0.00 O ATOM 121 CG2 THR A 9 9.511 -3.219 2.773 1.00 0.00 C ATOM 0 H THR A 9 5.295 -2.977 3.678 1.00 0.00 H new ATOM 0 HA THR A 9 7.929 -2.199 4.701 1.00 0.00 H new ATOM 0 HB THR A 9 7.570 -3.890 2.205 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.654 -5.535 3.500 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.028 -4.031 2.262 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.466 -2.349 2.118 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.052 -2.961 3.683 1.00 0.00 H new ATOM 129 N TRP A 10 7.911 -0.349 2.965 1.00 0.00 N ATOM 130 CA TRP A 10 7.716 0.827 2.125 1.00 0.00 C ATOM 131 C TRP A 10 9.046 1.360 1.610 1.00 0.00 C ATOM 132 O TRP A 10 9.939 1.696 2.390 1.00 0.00 O ATOM 133 CB TRP A 10 6.974 1.918 2.908 1.00 0.00 C ATOM 134 CG TRP A 10 6.722 3.174 2.123 1.00 0.00 C ATOM 135 CD1 TRP A 10 7.116 4.440 2.459 1.00 0.00 C ATOM 136 CD2 TRP A 10 6.026 3.289 0.874 1.00 0.00 C ATOM 137 NE1 TRP A 10 6.700 5.333 1.501 1.00 0.00 N ATOM 138 CE2 TRP A 10 6.034 4.653 0.517 1.00 0.00 C ATOM 139 CE3 TRP A 10 5.398 2.375 0.024 1.00 0.00 C ATOM 140 CZ2 TRP A 10 5.437 5.120 -0.650 1.00 0.00 C ATOM 141 CZ3 TRP A 10 4.807 2.840 -1.135 1.00 0.00 C ATOM 142 CH2 TRP A 10 4.832 4.202 -1.464 1.00 0.00 C ATOM 0 H TRP A 10 8.721 -0.302 3.583 1.00 0.00 H new ATOM 0 HA TRP A 10 7.114 0.534 1.265 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.019 1.519 3.250 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.552 2.168 3.798 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.673 4.700 3.347 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.861 6.340 1.520 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.375 1.323 0.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 5.451 6.170 -0.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.318 2.142 -1.798 1.00 0.00 H new ATOM 0 HH2 TRP A 10 4.364 4.534 -2.379 1.00 0.00 H new ATOM 153 N PHE A 11 9.169 1.432 0.294 1.00 0.00 N ATOM 154 CA PHE A 11 10.352 1.984 -0.335 1.00 0.00 C ATOM 155 C PHE A 11 10.000 3.310 -0.993 1.00 0.00 C ATOM 156 O PHE A 11 9.630 3.351 -2.165 1.00 0.00 O ATOM 157 CB PHE A 11 10.916 1.018 -1.380 1.00 0.00 C ATOM 158 CG PHE A 11 11.274 -0.339 -0.849 1.00 0.00 C ATOM 159 CD1 PHE A 11 12.440 -0.530 -0.128 1.00 0.00 C ATOM 160 CD2 PHE A 11 10.448 -1.427 -1.084 1.00 0.00 C ATOM 161 CE1 PHE A 11 12.776 -1.781 0.352 1.00 0.00 C ATOM 162 CE2 PHE A 11 10.778 -2.678 -0.606 1.00 0.00 C ATOM 163 CZ PHE A 11 11.943 -2.857 0.113 1.00 0.00 C ATOM 0 H PHE A 11 8.456 1.111 -0.361 1.00 0.00 H new ATOM 0 HA PHE A 11 11.114 2.142 0.429 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.183 0.899 -2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.804 1.465 -1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.094 0.308 0.061 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.536 -1.294 -1.647 1.00 0.00 H new ATOM 0 HE1 PHE A 11 13.689 -1.918 0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.125 -3.518 -0.794 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.203 -3.836 0.488 1.00 0.00 H new ATOM 173 N LYS A 12 10.113 4.383 -0.225 1.00 0.00 N ATOM 174 CA LYS A 12 9.688 5.708 -0.667 1.00 0.00 C ATOM 175 C LYS A 12 10.361 6.126 -1.972 1.00 0.00 C ATOM 176 O LYS A 12 9.697 6.322 -2.987 1.00 0.00 O ATOM 177 CB LYS A 12 9.996 6.739 0.421 1.00 0.00 C ATOM 178 CG LYS A 12 9.709 8.173 0.002 1.00 0.00 C ATOM 179 CD LYS A 12 10.353 9.170 0.950 1.00 0.00 C ATOM 180 CE LYS A 12 10.215 10.598 0.443 1.00 0.00 C ATOM 181 NZ LYS A 12 10.713 10.739 -0.952 1.00 0.00 N ATOM 0 H LYS A 12 10.500 4.363 0.719 1.00 0.00 H new ATOM 0 HA LYS A 12 8.614 5.662 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.408 6.504 1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.046 6.655 0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.080 8.339 -1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.632 8.337 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.892 9.087 1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.409 8.927 1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.169 10.900 0.488 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.770 11.271 1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.938 11.737 -1.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.569 10.161 -1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.980 10.418 -1.616 1.00 0.00 H new ATOM 195 N ASP A 13 11.679 6.259 -1.939 1.00 0.00 N ATOM 196 CA ASP A 13 12.422 6.779 -3.075 1.00 0.00 C ATOM 197 C ASP A 13 12.669 5.693 -4.112 1.00 0.00 C ATOM 198 O ASP A 13 13.156 5.961 -5.212 1.00 0.00 O ATOM 199 CB ASP A 13 13.735 7.386 -2.595 1.00 0.00 C ATOM 200 CG ASP A 13 13.508 8.507 -1.602 1.00 0.00 C ATOM 201 OD1 ASP A 13 12.984 9.568 -2.004 1.00 0.00 O ATOM 202 OD2 ASP A 13 13.839 8.329 -0.412 1.00 0.00 O ATOM 0 H ASP A 13 12.256 6.013 -1.135 1.00 0.00 H new ATOM 0 HA ASP A 13 11.829 7.558 -3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.347 6.610 -2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.294 7.766 -3.450 1.00 0.00 H new ATOM 207 N LYS A 14 12.323 4.466 -3.757 1.00 0.00 N ATOM 208 CA LYS A 14 12.387 3.357 -4.693 1.00 0.00 C ATOM 209 C LYS A 14 11.097 3.317 -5.503 1.00 0.00 C ATOM 210 O LYS A 14 11.090 2.933 -6.673 1.00 0.00 O ATOM 211 CB LYS A 14 12.587 2.038 -3.946 1.00 0.00 C ATOM 212 CG LYS A 14 12.889 0.848 -4.845 1.00 0.00 C ATOM 213 CD LYS A 14 14.234 0.999 -5.531 1.00 0.00 C ATOM 214 CE LYS A 14 14.576 -0.222 -6.374 1.00 0.00 C ATOM 215 NZ LYS A 14 14.727 -1.453 -5.549 1.00 0.00 N ATOM 0 H LYS A 14 11.994 4.213 -2.825 1.00 0.00 H new ATOM 0 HA LYS A 14 13.235 3.497 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.404 2.157 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.689 1.822 -3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.881 -0.068 -4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.105 0.749 -5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.222 1.886 -6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.010 1.152 -4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.794 -0.379 -7.117 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.501 -0.037 -6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.169 -2.201 -6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.326 -1.247 -4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.791 -1.771 -5.226 1.00 0.00 H new ATOM 229 N GLY A 15 10.003 3.716 -4.861 1.00 0.00 N ATOM 230 CA GLY A 15 8.733 3.806 -5.543 1.00 0.00 C ATOM 231 C GLY A 15 7.801 2.662 -5.206 1.00 0.00 C ATOM 232 O GLY A 15 6.596 2.763 -5.418 1.00 0.00 O ATOM 0 H GLY A 15 9.978 3.979 -3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.252 4.749 -5.282 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.905 3.823 -6.619 1.00 0.00 H new ATOM 236 N PHE A 16 8.347 1.583 -4.665 1.00 0.00 N ATOM 237 CA PHE A 16 7.557 0.385 -4.409 1.00 0.00 C ATOM 238 C PHE A 16 7.331 0.169 -2.920 1.00 0.00 C ATOM 239 O PHE A 16 7.801 0.938 -2.086 1.00 0.00 O ATOM 240 CB PHE A 16 8.233 -0.849 -5.012 1.00 0.00 C ATOM 241 CG PHE A 16 8.132 -0.925 -6.508 1.00 0.00 C ATOM 242 CD1 PHE A 16 6.970 -1.378 -7.110 1.00 0.00 C ATOM 243 CD2 PHE A 16 9.195 -0.548 -7.308 1.00 0.00 C ATOM 244 CE1 PHE A 16 6.871 -1.457 -8.486 1.00 0.00 C ATOM 245 CE2 PHE A 16 9.102 -0.624 -8.684 1.00 0.00 C ATOM 246 CZ PHE A 16 7.938 -1.077 -9.275 1.00 0.00 C ATOM 0 H PHE A 16 9.328 1.511 -4.396 1.00 0.00 H new ATOM 0 HA PHE A 16 6.587 0.532 -4.884 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.285 -0.851 -4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.785 -1.744 -4.581 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.131 -1.673 -6.497 1.00 0.00 H new ATOM 0 HD2 PHE A 16 10.107 -0.191 -6.853 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.961 -1.815 -8.943 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.940 -0.329 -9.299 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.863 -1.134 -10.351 1.00 0.00 H new ATOM 256 N GLY A 17 6.606 -0.887 -2.601 1.00 0.00 N ATOM 257 CA GLY A 17 6.345 -1.229 -1.223 1.00 0.00 C ATOM 258 C GLY A 17 5.567 -2.520 -1.116 1.00 0.00 C ATOM 259 O GLY A 17 5.109 -3.057 -2.128 1.00 0.00 O ATOM 0 H GLY A 17 6.188 -1.521 -3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.288 -1.324 -0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.786 -0.424 -0.746 1.00 0.00 H new ATOM 263 N PHE A 18 5.416 -3.017 0.099 1.00 0.00 N ATOM 264 CA PHE A 18 4.691 -4.253 0.337 1.00 0.00 C ATOM 265 C PHE A 18 3.677 -4.038 1.445 1.00 0.00 C ATOM 266 O PHE A 18 4.012 -3.545 2.524 1.00 0.00 O ATOM 267 CB PHE A 18 5.632 -5.387 0.746 1.00 0.00 C ATOM 268 CG PHE A 18 6.650 -5.762 -0.290 1.00 0.00 C ATOM 269 CD1 PHE A 18 6.343 -6.683 -1.274 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.916 -5.201 -0.272 1.00 0.00 C ATOM 271 CE1 PHE A 18 7.277 -7.038 -2.224 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.855 -5.550 -1.219 1.00 0.00 C ATOM 273 CZ PHE A 18 8.537 -6.471 -2.197 1.00 0.00 C ATOM 0 H PHE A 18 5.789 -2.580 0.942 1.00 0.00 H new ATOM 0 HA PHE A 18 4.194 -4.533 -0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.152 -5.097 1.659 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.035 -6.267 0.985 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.360 -7.130 -1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.171 -4.482 0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.024 -7.758 -2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.838 -5.104 -1.196 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.271 -6.748 -2.939 1.00 0.00 H new ATOM 283 N ILE A 19 2.446 -4.403 1.180 1.00 0.00 N ATOM 284 CA ILE A 19 1.388 -4.276 2.165 1.00 0.00 C ATOM 285 C ILE A 19 0.579 -5.559 2.231 1.00 0.00 C ATOM 286 O ILE A 19 0.155 -6.089 1.201 1.00 0.00 O ATOM 287 CB ILE A 19 0.472 -3.063 1.861 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.227 -1.756 2.134 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.819 -3.127 2.670 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.432 -0.506 1.819 1.00 0.00 C ATOM 0 H ILE A 19 2.147 -4.793 0.286 1.00 0.00 H new ATOM 0 HA ILE A 19 1.849 -4.101 3.137 1.00 0.00 H new ATOM 0 HB ILE A 19 0.196 -3.095 0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.522 -1.731 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.144 -1.749 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.439 -2.262 2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.359 -4.040 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.582 -3.124 3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.036 0.374 2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.159 -0.504 0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.472 -0.487 2.427 1.00 0.00 H new ATOM 302 N LYS A 20 0.413 -6.071 3.439 1.00 0.00 N ATOM 303 CA LYS A 20 -0.368 -7.271 3.674 1.00 0.00 C ATOM 304 C LYS A 20 -1.837 -6.907 3.816 1.00 0.00 C ATOM 305 O LYS A 20 -2.222 -6.199 4.745 1.00 0.00 O ATOM 306 CB LYS A 20 0.141 -7.970 4.936 1.00 0.00 C ATOM 307 CG LYS A 20 -0.817 -8.993 5.527 1.00 0.00 C ATOM 308 CD LYS A 20 -1.085 -10.156 4.589 1.00 0.00 C ATOM 309 CE LYS A 20 -2.158 -11.068 5.157 1.00 0.00 C ATOM 310 NZ LYS A 20 -2.372 -12.271 4.317 1.00 0.00 N ATOM 0 H LYS A 20 0.816 -5.666 4.284 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.261 -7.952 2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.083 -8.466 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.356 -7.214 5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.405 -9.373 6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.760 -8.503 5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.399 -9.779 3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.167 -10.721 4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.876 -11.375 6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.094 -10.516 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.169 -12.821 4.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.584 -11.980 3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.513 -12.857 4.324 1.00 0.00 H new ATOM 324 N ASP A 21 -2.643 -7.382 2.887 1.00 0.00 N ATOM 325 CA ASP A 21 -4.072 -7.098 2.906 1.00 0.00 C ATOM 326 C ASP A 21 -4.828 -8.189 3.644 1.00 0.00 C ATOM 327 O ASP A 21 -4.231 -9.070 4.261 1.00 0.00 O ATOM 328 CB ASP A 21 -4.636 -6.949 1.491 1.00 0.00 C ATOM 329 CG ASP A 21 -4.629 -8.238 0.697 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.547 -8.671 0.261 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.714 -8.807 0.468 1.00 0.00 O ATOM 0 H ASP A 21 -2.337 -7.966 2.109 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.205 -6.151 3.430 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.658 -6.576 1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.055 -6.198 0.955 1.00 0.00 H new ATOM 336 N GLU A 22 -6.144 -8.121 3.573 1.00 0.00 N ATOM 337 CA GLU A 22 -7.003 -9.056 4.285 1.00 0.00 C ATOM 338 C GLU A 22 -7.200 -10.353 3.500 1.00 0.00 C ATOM 339 O GLU A 22 -7.247 -11.439 4.078 1.00 0.00 O ATOM 340 CB GLU A 22 -8.360 -8.407 4.549 1.00 0.00 C ATOM 341 CG GLU A 22 -9.013 -8.862 5.840 1.00 0.00 C ATOM 342 CD GLU A 22 -10.415 -8.320 5.991 1.00 0.00 C ATOM 343 OE1 GLU A 22 -11.313 -8.795 5.267 1.00 0.00 O ATOM 344 OE2 GLU A 22 -10.623 -7.412 6.820 1.00 0.00 O ATOM 0 H GLU A 22 -6.647 -7.423 3.025 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.517 -9.305 5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.236 -7.324 4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.027 -8.630 3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.041 -9.951 5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.407 -8.538 6.686 1.00 0.00 H new ATOM 351 N ASN A 23 -7.292 -10.239 2.184 1.00 0.00 N ATOM 352 CA ASN A 23 -7.657 -11.373 1.341 1.00 0.00 C ATOM 353 C ASN A 23 -6.435 -12.174 0.907 1.00 0.00 C ATOM 354 O ASN A 23 -6.417 -13.404 1.017 1.00 0.00 O ATOM 355 CB ASN A 23 -8.423 -10.884 0.105 1.00 0.00 C ATOM 356 CG ASN A 23 -8.658 -11.978 -0.922 1.00 0.00 C ATOM 357 OD1 ASN A 23 -7.841 -12.191 -1.820 1.00 0.00 O ATOM 358 ND2 ASN A 23 -9.780 -12.671 -0.811 1.00 0.00 N ATOM 0 H ASN A 23 -7.119 -9.373 1.674 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.294 -12.031 1.932 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.384 -10.476 0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.868 -10.070 -0.361 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.992 -13.409 -1.482 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.433 -12.467 -0.054 1.00 0.00 H new ATOM 365 N GLY A 24 -5.414 -11.483 0.428 1.00 0.00 N ATOM 366 CA GLY A 24 -4.295 -12.159 -0.190 1.00 0.00 C ATOM 367 C GLY A 24 -3.057 -12.230 0.682 1.00 0.00 C ATOM 368 O GLY A 24 -2.976 -13.041 1.606 1.00 0.00 O ATOM 0 H GLY A 24 -5.340 -10.466 0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.598 -13.172 -0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.043 -11.647 -1.119 1.00 0.00 H new ATOM 372 N ASP A 25 -2.101 -11.361 0.397 1.00 0.00 N ATOM 373 CA ASP A 25 -0.767 -11.452 0.979 1.00 0.00 C ATOM 374 C ASP A 25 -0.065 -10.113 0.784 1.00 0.00 C ATOM 375 O ASP A 25 -0.729 -9.087 0.668 1.00 0.00 O ATOM 376 CB ASP A 25 0.010 -12.592 0.298 1.00 0.00 C ATOM 377 CG ASP A 25 1.227 -13.054 1.080 1.00 0.00 C ATOM 378 OD1 ASP A 25 1.081 -13.932 1.959 1.00 0.00 O ATOM 379 OD2 ASP A 25 2.336 -12.551 0.813 1.00 0.00 O ATOM 0 H ASP A 25 -2.224 -10.575 -0.241 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.823 -11.672 2.045 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.660 -13.439 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.328 -12.263 -0.691 1.00 0.00 H new ATOM 384 N ASN A 26 1.258 -10.103 0.752 1.00 0.00 N ATOM 385 CA ASN A 26 1.984 -8.873 0.505 1.00 0.00 C ATOM 386 C ASN A 26 1.900 -8.503 -0.969 1.00 0.00 C ATOM 387 O ASN A 26 2.384 -9.232 -1.840 1.00 0.00 O ATOM 388 CB ASN A 26 3.446 -9.008 0.927 1.00 0.00 C ATOM 389 CG ASN A 26 3.611 -9.286 2.408 1.00 0.00 C ATOM 390 OD1 ASN A 26 3.666 -10.439 2.838 1.00 0.00 O ATOM 391 ND2 ASN A 26 3.692 -8.230 3.204 1.00 0.00 N ATOM 0 H ASN A 26 1.844 -10.926 0.893 1.00 0.00 H new ATOM 0 HA ASN A 26 1.527 -8.082 1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.910 -9.813 0.358 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.978 -8.091 0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.804 -8.357 4.210 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.642 -7.290 2.811 1.00 0.00 H new ATOM 398 N ARG A 27 1.268 -7.378 -1.243 1.00 0.00 N ATOM 399 CA ARG A 27 1.103 -6.896 -2.607 1.00 0.00 C ATOM 400 C ARG A 27 2.124 -5.819 -2.914 1.00 0.00 C ATOM 401 O ARG A 27 2.593 -5.122 -2.011 1.00 0.00 O ATOM 402 CB ARG A 27 -0.309 -6.348 -2.809 1.00 0.00 C ATOM 403 CG ARG A 27 -1.394 -7.332 -2.415 1.00 0.00 C ATOM 404 CD ARG A 27 -2.774 -6.814 -2.776 1.00 0.00 C ATOM 405 NE ARG A 27 -3.820 -7.677 -2.242 1.00 0.00 N ATOM 406 CZ ARG A 27 -4.840 -8.155 -2.948 1.00 0.00 C ATOM 407 NH1 ARG A 27 -4.937 -7.909 -4.252 1.00 0.00 N ATOM 408 NH2 ARG A 27 -5.765 -8.892 -2.348 1.00 0.00 N ATOM 0 H ARG A 27 0.855 -6.773 -0.533 1.00 0.00 H new ATOM 0 HA ARG A 27 1.258 -7.732 -3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.425 -5.436 -2.224 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.439 -6.074 -3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.220 -8.285 -2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.344 -7.520 -1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.899 -5.804 -2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.869 -6.752 -3.860 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.766 -7.933 -1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.224 -7.349 -4.720 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.724 -8.281 -4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.692 -9.089 -1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.550 -9.261 -2.885 1.00 0.00 H new ATOM 422 N TYR A 28 2.474 -5.699 -4.182 1.00 0.00 N ATOM 423 CA TYR A 28 3.375 -4.667 -4.629 1.00 0.00 C ATOM 424 C TYR A 28 2.632 -3.354 -4.785 1.00 0.00 C ATOM 425 O TYR A 28 1.685 -3.251 -5.570 1.00 0.00 O ATOM 426 CB TYR A 28 4.002 -5.061 -5.961 1.00 0.00 C ATOM 427 CG TYR A 28 5.404 -5.607 -5.849 1.00 0.00 C ATOM 428 CD1 TYR A 28 6.490 -4.753 -5.710 1.00 0.00 C ATOM 429 CD2 TYR A 28 5.644 -6.973 -5.898 1.00 0.00 C ATOM 430 CE1 TYR A 28 7.777 -5.246 -5.620 1.00 0.00 C ATOM 431 CE2 TYR A 28 6.926 -7.473 -5.809 1.00 0.00 C ATOM 432 CZ TYR A 28 7.989 -6.607 -5.672 1.00 0.00 C ATOM 433 OH TYR A 28 9.270 -7.103 -5.584 1.00 0.00 O ATOM 0 H TYR A 28 2.140 -6.314 -4.924 1.00 0.00 H new ATOM 0 HA TYR A 28 4.161 -4.545 -3.884 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.370 -5.809 -6.440 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.015 -4.189 -6.615 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.326 -3.686 -5.672 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.814 -7.655 -6.008 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.612 -4.570 -5.510 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.096 -8.539 -5.847 1.00 0.00 H new ATOM 0 HH TYR A 28 9.246 -8.081 -5.636 1.00 0.00 H new ATOM 443 N PHE A 29 3.043 -2.364 -4.023 1.00 0.00 N ATOM 444 CA PHE A 29 2.465 -1.039 -4.127 1.00 0.00 C ATOM 445 C PHE A 29 3.428 -0.115 -4.842 1.00 0.00 C ATOM 446 O PHE A 29 4.628 -0.379 -4.895 1.00 0.00 O ATOM 447 CB PHE A 29 2.120 -0.486 -2.745 1.00 0.00 C ATOM 448 CG PHE A 29 0.918 -1.139 -2.123 1.00 0.00 C ATOM 449 CD1 PHE A 29 0.905 -2.496 -1.853 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.206 -0.391 -1.820 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.202 -3.096 -1.291 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.318 -0.984 -1.256 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.315 -2.339 -0.991 1.00 0.00 C ATOM 0 H PHE A 29 3.778 -2.451 -3.321 1.00 0.00 H new ATOM 0 HA PHE A 29 1.542 -1.105 -4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.978 -0.617 -2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.941 0.586 -2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.774 -3.094 -2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.214 0.669 -2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.197 -4.156 -1.086 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.189 -0.389 -1.023 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.183 -2.805 -0.549 1.00 0.00 H new ATOM 463 N HIS A 30 2.904 0.960 -5.402 1.00 0.00 N ATOM 464 CA HIS A 30 3.729 1.902 -6.137 1.00 0.00 C ATOM 465 C HIS A 30 3.277 3.330 -5.839 1.00 0.00 C ATOM 466 O HIS A 30 2.104 3.665 -6.005 1.00 0.00 O ATOM 467 CB HIS A 30 3.679 1.597 -7.640 1.00 0.00 C ATOM 468 CG HIS A 30 4.697 2.352 -8.439 1.00 0.00 C ATOM 469 ND1 HIS A 30 4.374 3.120 -9.530 1.00 0.00 N ATOM 470 CD2 HIS A 30 6.037 2.470 -8.284 1.00 0.00 C ATOM 471 CE1 HIS A 30 5.465 3.692 -10.006 1.00 0.00 C ATOM 472 NE2 HIS A 30 6.486 3.310 -9.269 1.00 0.00 N ATOM 0 H HIS A 30 1.914 1.202 -5.362 1.00 0.00 H new ATOM 0 HA HIS A 30 4.766 1.801 -5.815 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.831 0.528 -7.791 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.684 1.834 -8.018 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.639 1.992 -7.526 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.511 4.359 -10.854 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.456 3.594 -9.409 1.00 0.00 H new ATOM 481 N VAL A 31 4.232 4.151 -5.412 1.00 0.00 N ATOM 482 CA VAL A 31 3.978 5.498 -4.886 1.00 0.00 C ATOM 483 C VAL A 31 3.034 6.347 -5.756 1.00 0.00 C ATOM 484 O VAL A 31 2.196 7.075 -5.229 1.00 0.00 O ATOM 485 CB VAL A 31 5.312 6.253 -4.676 1.00 0.00 C ATOM 486 CG1 VAL A 31 6.089 6.362 -5.982 1.00 0.00 C ATOM 487 CG2 VAL A 31 5.074 7.631 -4.071 1.00 0.00 C ATOM 0 H VAL A 31 5.221 3.900 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 31 3.468 5.350 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 31 5.913 5.677 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.022 6.897 -5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.309 5.363 -6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.493 6.904 -6.716 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.029 8.138 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.443 8.218 -4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.579 7.524 -3.106 1.00 0.00 H new ATOM 497 N ILE A 32 3.155 6.241 -7.078 1.00 0.00 N ATOM 498 CA ILE A 32 2.377 7.080 -7.992 1.00 0.00 C ATOM 499 C ILE A 32 0.870 6.884 -7.802 1.00 0.00 C ATOM 500 O ILE A 32 0.075 7.807 -7.992 1.00 0.00 O ATOM 501 CB ILE A 32 2.750 6.786 -9.465 1.00 0.00 C ATOM 502 CG1 ILE A 32 2.040 7.755 -10.392 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.386 5.363 -9.841 1.00 0.00 C ATOM 504 CD1 ILE A 32 2.535 7.705 -11.821 1.00 0.00 C ATOM 0 H ILE A 32 3.783 5.584 -7.541 1.00 0.00 H new ATOM 0 HA ILE A 32 2.623 8.115 -7.755 1.00 0.00 H new ATOM 0 HB ILE A 32 3.828 6.911 -9.570 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.972 7.539 -10.379 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.165 8.768 -10.009 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.658 5.181 -10.881 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.925 4.667 -9.198 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.313 5.217 -9.715 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.981 8.425 -12.423 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.597 7.951 -11.847 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.385 6.703 -12.223 1.00 0.00 H new ATOM 516 N LYS A 33 0.490 5.686 -7.408 1.00 0.00 N ATOM 517 CA LYS A 33 -0.915 5.330 -7.266 1.00 0.00 C ATOM 518 C LYS A 33 -1.385 5.489 -5.824 1.00 0.00 C ATOM 519 O LYS A 33 -2.472 5.037 -5.463 1.00 0.00 O ATOM 520 CB LYS A 33 -1.141 3.894 -7.746 1.00 0.00 C ATOM 521 CG LYS A 33 -0.868 3.701 -9.230 1.00 0.00 C ATOM 522 CD LYS A 33 -1.818 4.525 -10.081 1.00 0.00 C ATOM 523 CE LYS A 33 -1.450 4.460 -11.555 1.00 0.00 C ATOM 524 NZ LYS A 33 -2.366 5.284 -12.383 1.00 0.00 N ATOM 0 H LYS A 33 1.138 4.933 -7.177 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.502 6.010 -7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.498 3.223 -7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.171 3.606 -7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.161 3.985 -9.452 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.970 2.646 -9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.837 4.163 -9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.800 5.562 -9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.425 4.806 -11.691 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.484 3.425 -11.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.086 5.217 -13.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.340 4.938 -12.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.314 6.276 -12.075 1.00 0.00 H new ATOM 538 N VAL A 34 -0.569 6.131 -5.000 1.00 0.00 N ATOM 539 CA VAL A 34 -0.947 6.405 -3.624 1.00 0.00 C ATOM 540 C VAL A 34 -1.476 7.831 -3.516 1.00 0.00 C ATOM 541 O VAL A 34 -0.818 8.778 -3.953 1.00 0.00 O ATOM 542 CB VAL A 34 0.236 6.218 -2.649 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.238 6.325 -1.210 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.928 4.885 -2.884 1.00 0.00 C ATOM 0 H VAL A 34 0.357 6.471 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.722 5.691 -3.345 1.00 0.00 H new ATOM 0 HB VAL A 34 0.958 7.013 -2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.609 6.191 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.681 7.307 -1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.983 5.554 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.757 4.777 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.216 4.074 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.307 4.847 -3.905 1.00 0.00 H new ATOM 554 N ALA A 35 -2.664 7.979 -2.947 1.00 0.00 N ATOM 555 CA ALA A 35 -3.300 9.285 -2.844 1.00 0.00 C ATOM 556 C ALA A 35 -2.646 10.129 -1.759 1.00 0.00 C ATOM 557 O ALA A 35 -2.455 11.332 -1.921 1.00 0.00 O ATOM 558 CB ALA A 35 -4.789 9.130 -2.573 1.00 0.00 C ATOM 0 H ALA A 35 -3.207 7.212 -2.550 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.170 9.800 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.250 10.115 -2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.251 8.574 -3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.934 8.590 -1.637 1.00 0.00 H new ATOM 564 N ASN A 36 -2.297 9.487 -0.658 1.00 0.00 N ATOM 565 CA ASN A 36 -1.673 10.172 0.466 1.00 0.00 C ATOM 566 C ASN A 36 -0.451 9.402 0.973 1.00 0.00 C ATOM 567 O ASN A 36 -0.460 8.852 2.074 1.00 0.00 O ATOM 568 CB ASN A 36 -2.693 10.381 1.598 1.00 0.00 C ATOM 569 CG ASN A 36 -3.604 9.179 1.821 1.00 0.00 C ATOM 570 OD1 ASN A 36 -3.242 8.038 1.539 1.00 0.00 O ATOM 571 ND2 ASN A 36 -4.801 9.432 2.326 1.00 0.00 N ATOM 0 H ASN A 36 -2.435 8.486 -0.516 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.331 11.148 0.121 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.159 10.599 2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.305 11.254 1.370 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.456 8.668 2.493 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.068 10.391 2.548 1.00 0.00 H new ATOM 578 N PRO A 37 0.634 9.370 0.177 1.00 0.00 N ATOM 579 CA PRO A 37 1.836 8.593 0.506 1.00 0.00 C ATOM 580 C PRO A 37 2.621 9.186 1.670 1.00 0.00 C ATOM 581 O PRO A 37 3.450 8.514 2.279 1.00 0.00 O ATOM 582 CB PRO A 37 2.662 8.644 -0.779 1.00 0.00 C ATOM 583 CG PRO A 37 2.217 9.883 -1.475 1.00 0.00 C ATOM 584 CD PRO A 37 0.774 10.088 -1.104 1.00 0.00 C ATOM 0 HA PRO A 37 1.584 7.582 0.826 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.729 8.676 -0.561 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.489 7.762 -1.395 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.821 10.737 -1.170 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.329 9.783 -2.555 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.535 11.146 -0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.105 9.685 -1.864 1.00 0.00 H new ATOM 592 N ASP A 38 2.352 10.447 1.971 1.00 0.00 N ATOM 593 CA ASP A 38 3.022 11.140 3.068 1.00 0.00 C ATOM 594 C ASP A 38 2.567 10.589 4.415 1.00 0.00 C ATOM 595 O ASP A 38 3.326 10.566 5.386 1.00 0.00 O ATOM 596 CB ASP A 38 2.733 12.641 2.998 1.00 0.00 C ATOM 597 CG ASP A 38 3.472 13.423 4.062 1.00 0.00 C ATOM 598 OD1 ASP A 38 4.671 13.711 3.864 1.00 0.00 O ATOM 599 OD2 ASP A 38 2.854 13.763 5.094 1.00 0.00 O ATOM 0 H ASP A 38 1.671 11.017 1.469 1.00 0.00 H new ATOM 0 HA ASP A 38 4.095 10.976 2.970 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.014 13.017 2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.661 12.807 3.108 1.00 0.00 H new ATOM 604 N LEU A 39 1.338 10.095 4.450 1.00 0.00 N ATOM 605 CA LEU A 39 0.725 9.638 5.682 1.00 0.00 C ATOM 606 C LEU A 39 1.051 8.173 5.921 1.00 0.00 C ATOM 607 O LEU A 39 0.582 7.561 6.883 1.00 0.00 O ATOM 608 CB LEU A 39 -0.789 9.841 5.611 1.00 0.00 C ATOM 609 CG LEU A 39 -1.251 11.300 5.532 1.00 0.00 C ATOM 610 CD1 LEU A 39 -2.767 11.376 5.432 1.00 0.00 C ATOM 611 CD2 LEU A 39 -0.754 12.085 6.738 1.00 0.00 C ATOM 0 H LEU A 39 0.742 10.001 3.627 1.00 0.00 H new ATOM 0 HA LEU A 39 1.122 10.219 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.170 9.309 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.242 9.381 6.489 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.825 11.746 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.076 12.420 5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.099 10.851 4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.213 10.911 6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.092 13.119 6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.149 11.639 7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.335 12.061 6.764 1.00 0.00 H new ATOM 623 N ILE A 40 1.860 7.622 5.028 1.00 0.00 N ATOM 624 CA ILE A 40 2.285 6.240 5.122 1.00 0.00 C ATOM 625 C ILE A 40 3.330 6.069 6.220 1.00 0.00 C ATOM 626 O ILE A 40 4.441 6.600 6.135 1.00 0.00 O ATOM 627 CB ILE A 40 2.846 5.742 3.770 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.713 5.579 2.752 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.606 4.430 3.940 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.171 5.071 1.399 1.00 0.00 C ATOM 0 H ILE A 40 2.237 8.121 4.222 1.00 0.00 H new ATOM 0 HA ILE A 40 1.412 5.639 5.376 1.00 0.00 H new ATOM 0 HB ILE A 40 3.547 6.489 3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.971 4.890 3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.216 6.540 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.989 4.104 2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.438 4.578 4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.935 3.670 4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.312 4.982 0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.890 5.770 0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.641 4.095 1.517 1.00 0.00 H new ATOM 642 N LYS A 41 2.943 5.358 7.263 1.00 0.00 N ATOM 643 CA LYS A 41 3.845 5.013 8.347 1.00 0.00 C ATOM 644 C LYS A 41 3.818 3.511 8.561 1.00 0.00 C ATOM 645 O LYS A 41 2.925 2.826 8.058 1.00 0.00 O ATOM 646 CB LYS A 41 3.461 5.750 9.634 1.00 0.00 C ATOM 647 CG LYS A 41 3.746 7.244 9.586 1.00 0.00 C ATOM 648 CD LYS A 41 5.236 7.517 9.431 1.00 0.00 C ATOM 649 CE LYS A 41 5.530 9.004 9.317 1.00 0.00 C ATOM 650 NZ LYS A 41 6.991 9.271 9.215 1.00 0.00 N ATOM 0 H LYS A 41 1.994 5.003 7.383 1.00 0.00 H new ATOM 0 HA LYS A 41 4.856 5.321 8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.399 5.597 9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.005 5.311 10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.203 7.694 8.755 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.380 7.716 10.498 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.772 7.105 10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.609 7.004 8.545 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.024 9.409 8.440 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.125 9.523 10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.152 10.296 9.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.470 8.907 10.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.372 8.797 8.372 1.00 0.00 H new ATOM 664 N LYS A 42 4.783 2.996 9.301 1.00 0.00 N ATOM 665 CA LYS A 42 4.922 1.557 9.449 1.00 0.00 C ATOM 666 C LYS A 42 3.785 0.978 10.286 1.00 0.00 C ATOM 667 O LYS A 42 3.411 1.540 11.317 1.00 0.00 O ATOM 668 CB LYS A 42 6.266 1.199 10.081 1.00 0.00 C ATOM 669 CG LYS A 42 6.904 -0.028 9.453 1.00 0.00 C ATOM 670 CD LYS A 42 7.506 0.304 8.093 1.00 0.00 C ATOM 671 CE LYS A 42 7.971 -0.941 7.353 1.00 0.00 C ATOM 672 NZ LYS A 42 8.914 -1.758 8.157 1.00 0.00 N ATOM 0 H LYS A 42 5.478 3.547 9.806 1.00 0.00 H new ATOM 0 HA LYS A 42 4.877 1.120 8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.945 2.046 9.984 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.126 1.024 11.148 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.680 -0.417 10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.157 -0.814 9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.767 0.829 7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.349 0.982 8.226 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.105 -1.547 7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.453 -0.647 6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.306 -2.518 7.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.687 -1.155 8.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.410 -2.174 8.966 1.00 0.00 H new ATOM 686 N ASP A 43 3.234 -0.137 9.799 1.00 0.00 N ATOM 687 CA ASP A 43 2.194 -0.905 10.499 1.00 0.00 C ATOM 688 C ASP A 43 0.864 -0.147 10.558 1.00 0.00 C ATOM 689 O ASP A 43 -0.026 -0.489 11.338 1.00 0.00 O ATOM 690 CB ASP A 43 2.664 -1.289 11.908 1.00 0.00 C ATOM 691 CG ASP A 43 1.943 -2.507 12.457 1.00 0.00 C ATOM 692 OD1 ASP A 43 2.218 -3.627 11.980 1.00 0.00 O ATOM 693 OD2 ASP A 43 1.115 -2.356 13.376 1.00 0.00 O ATOM 0 H ASP A 43 3.498 -0.538 8.899 1.00 0.00 H new ATOM 0 HA ASP A 43 2.021 -1.817 9.927 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.736 -1.486 11.888 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.507 -0.446 12.581 1.00 0.00 H new ATOM 698 N ALA A 44 0.721 0.867 9.718 1.00 0.00 N ATOM 699 CA ALA A 44 -0.534 1.598 9.618 1.00 0.00 C ATOM 700 C ALA A 44 -1.491 0.876 8.676 1.00 0.00 C ATOM 701 O ALA A 44 -1.063 0.060 7.856 1.00 0.00 O ATOM 702 CB ALA A 44 -0.281 3.020 9.142 1.00 0.00 C ATOM 0 H ALA A 44 1.457 1.202 9.096 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.993 1.645 10.606 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.229 3.554 9.072 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.372 3.530 9.850 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.195 2.996 8.162 1.00 0.00 H new ATOM 708 N ALA A 45 -2.781 1.170 8.791 1.00 0.00 N ATOM 709 CA ALA A 45 -3.778 0.516 7.961 1.00 0.00 C ATOM 710 C ALA A 45 -4.135 1.381 6.762 1.00 0.00 C ATOM 711 O ALA A 45 -4.256 2.604 6.872 1.00 0.00 O ATOM 712 CB ALA A 45 -5.022 0.199 8.774 1.00 0.00 C ATOM 0 H ALA A 45 -3.157 1.854 9.448 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.354 -0.419 7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.758 -0.291 8.137 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.759 -0.463 9.599 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.443 1.123 9.171 1.00 0.00 H new ATOM 718 N VAL A 46 -4.290 0.743 5.614 1.00 0.00 N ATOM 719 CA VAL A 46 -4.656 1.439 4.394 1.00 0.00 C ATOM 720 C VAL A 46 -5.799 0.722 3.688 1.00 0.00 C ATOM 721 O VAL A 46 -6.091 -0.438 3.976 1.00 0.00 O ATOM 722 CB VAL A 46 -3.463 1.556 3.416 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.337 2.377 4.022 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.959 0.178 3.008 1.00 0.00 C ATOM 0 H VAL A 46 -4.167 -0.263 5.502 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.969 2.441 4.687 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.815 2.071 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.512 2.443 3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.700 3.379 4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.991 1.899 4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.120 0.286 2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.634 -0.367 3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.762 -0.372 2.517 1.00 0.00 H new ATOM 734 N THR A 47 -6.447 1.428 2.780 1.00 0.00 N ATOM 735 CA THR A 47 -7.474 0.843 1.939 1.00 0.00 C ATOM 736 C THR A 47 -7.159 1.113 0.475 1.00 0.00 C ATOM 737 O THR A 47 -6.801 2.232 0.104 1.00 0.00 O ATOM 738 CB THR A 47 -8.871 1.385 2.289 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.802 2.795 2.554 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.446 0.658 3.497 1.00 0.00 C ATOM 0 H THR A 47 -6.277 2.418 2.605 1.00 0.00 H new ATOM 0 HA THR A 47 -7.482 -0.232 2.118 1.00 0.00 H new ATOM 0 HB THR A 47 -9.528 1.212 1.437 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.696 3.131 2.774 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.434 1.058 3.726 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.527 -0.406 3.276 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.789 0.801 4.355 1.00 0.00 H new ATOM 748 N PHE A 48 -7.282 0.091 -0.349 1.00 0.00 N ATOM 749 CA PHE A 48 -6.858 0.178 -1.737 1.00 0.00 C ATOM 750 C PHE A 48 -7.717 -0.709 -2.620 1.00 0.00 C ATOM 751 O PHE A 48 -8.561 -1.458 -2.124 1.00 0.00 O ATOM 752 CB PHE A 48 -5.389 -0.238 -1.852 1.00 0.00 C ATOM 753 CG PHE A 48 -5.074 -1.512 -1.114 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.325 -2.748 -1.688 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.537 -1.471 0.162 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.044 -3.916 -1.006 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.257 -2.633 0.851 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.511 -3.856 0.265 1.00 0.00 C ATOM 0 H PHE A 48 -7.673 -0.813 -0.083 1.00 0.00 H new ATOM 0 HA PHE A 48 -6.973 1.209 -2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.135 -0.363 -2.905 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.760 0.564 -1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.746 -2.799 -2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.335 -0.516 0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.241 -4.873 -1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.840 -2.585 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.292 -4.767 0.802 1.00 0.00 H new ATOM 768 N GLU A 49 -7.493 -0.625 -3.921 1.00 0.00 N ATOM 769 CA GLU A 49 -8.207 -1.466 -4.859 1.00 0.00 C ATOM 770 C GLU A 49 -7.349 -2.688 -5.188 1.00 0.00 C ATOM 771 O GLU A 49 -6.126 -2.576 -5.316 1.00 0.00 O ATOM 772 CB GLU A 49 -8.516 -0.691 -6.145 1.00 0.00 C ATOM 773 CG GLU A 49 -8.880 0.773 -5.930 1.00 0.00 C ATOM 774 CD GLU A 49 -10.047 0.975 -4.981 1.00 0.00 C ATOM 775 OE1 GLU A 49 -11.141 0.437 -5.256 1.00 0.00 O ATOM 776 OE2 GLU A 49 -9.881 1.692 -3.969 1.00 0.00 O ATOM 0 H GLU A 49 -6.824 0.016 -4.348 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.148 -1.783 -4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.648 -0.743 -6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.339 -1.184 -6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.010 1.302 -5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.123 1.224 -6.892 1.00 0.00 H new ATOM 783 N PRO A 50 -7.972 -3.863 -5.337 1.00 0.00 N ATOM 784 CA PRO A 50 -7.273 -5.104 -5.660 1.00 0.00 C ATOM 785 C PRO A 50 -6.992 -5.230 -7.152 1.00 0.00 C ATOM 786 O PRO A 50 -7.866 -4.965 -7.981 1.00 0.00 O ATOM 787 CB PRO A 50 -8.250 -6.203 -5.206 1.00 0.00 C ATOM 788 CG PRO A 50 -9.441 -5.495 -4.636 1.00 0.00 C ATOM 789 CD PRO A 50 -9.405 -4.095 -5.178 1.00 0.00 C ATOM 0 HA PRO A 50 -6.299 -5.159 -5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.539 -6.837 -6.044 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.788 -6.850 -4.460 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.365 -5.998 -4.922 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.405 -5.490 -3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.939 -4.011 -6.125 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.859 -3.381 -4.491 1.00 0.00 H new ATOM 797 N THR A 51 -5.775 -5.627 -7.493 1.00 0.00 N ATOM 798 CA THR A 51 -5.403 -5.821 -8.880 1.00 0.00 C ATOM 799 C THR A 51 -4.193 -6.752 -8.975 1.00 0.00 C ATOM 800 O THR A 51 -3.614 -7.149 -7.958 1.00 0.00 O ATOM 801 CB THR A 51 -5.096 -4.473 -9.571 1.00 0.00 C ATOM 802 OG1 THR A 51 -4.972 -4.651 -10.988 1.00 0.00 O ATOM 803 CG2 THR A 51 -3.820 -3.857 -9.021 1.00 0.00 C ATOM 0 H THR A 51 -5.029 -5.821 -6.824 1.00 0.00 H new ATOM 0 HA THR A 51 -6.247 -6.279 -9.396 1.00 0.00 H new ATOM 0 HB THR A 51 -5.927 -3.798 -9.366 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.779 -3.788 -11.410 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.627 -2.910 -9.524 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.932 -3.683 -7.951 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.985 -4.536 -9.193 1.00 0.00 H new ATOM 811 N THR A 52 -3.823 -7.111 -10.190 1.00 0.00 N ATOM 812 CA THR A 52 -2.692 -7.987 -10.416 1.00 0.00 C ATOM 813 C THR A 52 -1.902 -7.511 -11.628 1.00 0.00 C ATOM 814 O THR A 52 -2.432 -6.806 -12.490 1.00 0.00 O ATOM 815 CB THR A 52 -3.151 -9.440 -10.648 1.00 0.00 C ATOM 816 OG1 THR A 52 -4.217 -9.767 -9.745 1.00 0.00 O ATOM 817 CG2 THR A 52 -2.002 -10.417 -10.439 1.00 0.00 C ATOM 0 H THR A 52 -4.295 -6.806 -11.041 1.00 0.00 H new ATOM 0 HA THR A 52 -2.062 -7.959 -9.527 1.00 0.00 H new ATOM 0 HB THR A 52 -3.498 -9.522 -11.678 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.504 -10.691 -9.899 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.354 -11.434 -10.609 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.199 -10.189 -11.140 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.630 -10.328 -9.418 1.00 0.00 H new ATOM 825 N ASN A 53 -0.634 -7.873 -11.682 1.00 0.00 N ATOM 826 CA ASN A 53 0.208 -7.543 -12.826 1.00 0.00 C ATOM 827 C ASN A 53 0.677 -8.817 -13.514 1.00 0.00 C ATOM 828 O ASN A 53 0.191 -9.162 -14.591 1.00 0.00 O ATOM 829 CB ASN A 53 1.404 -6.680 -12.403 1.00 0.00 C ATOM 830 CG ASN A 53 1.124 -5.185 -12.495 1.00 0.00 C ATOM 831 OD1 ASN A 53 2.017 -4.395 -12.804 1.00 0.00 O ATOM 832 ND2 ASN A 53 -0.116 -4.786 -12.242 1.00 0.00 N ATOM 0 H ASN A 53 -0.160 -8.397 -10.947 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.385 -6.961 -13.532 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.680 -6.930 -11.379 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.260 -6.923 -13.032 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.355 -3.796 -12.301 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.830 -5.469 -11.989 1.00 0.00 H new ATOM 839 N ASN A 54 1.609 -9.520 -12.887 1.00 0.00 N ATOM 840 CA ASN A 54 2.069 -10.804 -13.403 1.00 0.00 C ATOM 841 C ASN A 54 2.797 -11.594 -12.326 1.00 0.00 C ATOM 842 O ASN A 54 2.330 -12.650 -11.897 1.00 0.00 O ATOM 843 CB ASN A 54 2.984 -10.614 -14.618 1.00 0.00 C ATOM 844 CG ASN A 54 3.487 -11.931 -15.181 1.00 0.00 C ATOM 845 OD1 ASN A 54 4.563 -12.407 -14.820 1.00 0.00 O ATOM 846 ND2 ASN A 54 2.707 -12.533 -16.066 1.00 0.00 N ATOM 0 H ASN A 54 2.062 -9.225 -12.022 1.00 0.00 H new ATOM 0 HA ASN A 54 1.189 -11.366 -13.715 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.443 -10.074 -15.395 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.835 -9.996 -14.334 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.991 -13.424 -16.474 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.822 -12.106 -16.340 1.00 0.00 H new ATOM 853 N LYS A 55 3.921 -11.057 -11.861 1.00 0.00 N ATOM 854 CA LYS A 55 4.792 -11.770 -10.936 1.00 0.00 C ATOM 855 C LYS A 55 4.279 -11.708 -9.498 1.00 0.00 C ATOM 856 O LYS A 55 4.898 -12.262 -8.586 1.00 0.00 O ATOM 857 CB LYS A 55 6.205 -11.193 -11.010 1.00 0.00 C ATOM 858 CG LYS A 55 6.825 -11.291 -12.394 1.00 0.00 C ATOM 859 CD LYS A 55 8.280 -10.854 -12.392 1.00 0.00 C ATOM 860 CE LYS A 55 8.874 -10.912 -13.789 1.00 0.00 C ATOM 861 NZ LYS A 55 10.340 -10.661 -13.784 1.00 0.00 N ATOM 0 H LYS A 55 4.250 -10.125 -12.112 1.00 0.00 H new ATOM 0 HA LYS A 55 4.802 -12.818 -11.234 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.179 -10.147 -10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.841 -11.717 -10.297 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.754 -12.318 -12.752 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.260 -10.671 -13.090 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.357 -9.838 -12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.854 -11.495 -11.723 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.676 -11.890 -14.227 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.382 -10.174 -14.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.704 -10.710 -14.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.529 -9.717 -13.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.813 -11.380 -13.201 1.00 0.00 H new ATOM 875 N GLY A 56 3.153 -11.039 -9.294 1.00 0.00 N ATOM 876 CA GLY A 56 2.581 -10.951 -7.969 1.00 0.00 C ATOM 877 C GLY A 56 1.347 -10.080 -7.935 1.00 0.00 C ATOM 878 O GLY A 56 0.914 -9.557 -8.970 1.00 0.00 O ATOM 0 H GLY A 56 2.627 -10.557 -10.023 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.327 -11.951 -7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.325 -10.551 -7.280 1.00 0.00 H new ATOM 882 N LEU A 57 0.780 -9.925 -6.747 1.00 0.00 N ATOM 883 CA LEU A 57 -0.392 -9.094 -6.557 1.00 0.00 C ATOM 884 C LEU A 57 0.022 -7.638 -6.400 1.00 0.00 C ATOM 885 O LEU A 57 1.152 -7.343 -6.010 1.00 0.00 O ATOM 886 CB LEU A 57 -1.171 -9.556 -5.327 1.00 0.00 C ATOM 887 CG LEU A 57 -1.815 -10.939 -5.439 1.00 0.00 C ATOM 888 CD1 LEU A 57 -2.509 -11.307 -4.137 1.00 0.00 C ATOM 889 CD2 LEU A 57 -2.802 -10.974 -6.597 1.00 0.00 C ATOM 0 H LEU A 57 1.120 -10.370 -5.895 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.035 -9.185 -7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.497 -9.556 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.953 -8.826 -5.118 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.031 -11.671 -5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.962 -12.294 -4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.780 -11.320 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.283 -10.572 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.251 -11.965 -6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.583 -10.232 -6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.280 -10.750 -7.527 1.00 0.00 H new ATOM 901 N SER A 58 -0.880 -6.731 -6.723 1.00 0.00 N ATOM 902 CA SER A 58 -0.597 -5.314 -6.647 1.00 0.00 C ATOM 903 C SER A 58 -1.853 -4.558 -6.233 1.00 0.00 C ATOM 904 O SER A 58 -2.938 -5.138 -6.173 1.00 0.00 O ATOM 905 CB SER A 58 -0.080 -4.808 -7.995 1.00 0.00 C ATOM 906 OG SER A 58 0.915 -5.674 -8.518 1.00 0.00 O ATOM 0 H SER A 58 -1.822 -6.955 -7.043 1.00 0.00 H new ATOM 0 HA SER A 58 0.175 -5.142 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.908 -4.732 -8.700 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.331 -3.805 -7.877 1.00 0.00 H new ATOM 0 HG SER A 58 1.228 -5.330 -9.380 1.00 0.00 H new ATOM 912 N ALA A 59 -1.705 -3.286 -5.902 1.00 0.00 N ATOM 913 CA ALA A 59 -2.843 -2.474 -5.508 1.00 0.00 C ATOM 914 C ALA A 59 -2.757 -1.077 -6.101 1.00 0.00 C ATOM 915 O ALA A 59 -1.663 -0.562 -6.349 1.00 0.00 O ATOM 916 CB ALA A 59 -2.930 -2.399 -3.998 1.00 0.00 C ATOM 0 H ALA A 59 -0.811 -2.795 -5.898 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.746 -2.946 -5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.786 -1.788 -3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.048 -3.403 -3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.018 -1.952 -3.603 1.00 0.00 H new ATOM 922 N TYR A 60 -3.915 -0.474 -6.334 1.00 0.00 N ATOM 923 CA TYR A 60 -3.990 0.892 -6.838 1.00 0.00 C ATOM 924 C TYR A 60 -4.867 1.732 -5.926 1.00 0.00 C ATOM 925 O TYR A 60 -5.530 1.199 -5.033 1.00 0.00 O ATOM 926 CB TYR A 60 -4.552 0.944 -8.262 1.00 0.00 C ATOM 927 CG TYR A 60 -3.681 0.290 -9.314 1.00 0.00 C ATOM 928 CD1 TYR A 60 -2.332 0.604 -9.422 1.00 0.00 C ATOM 929 CD2 TYR A 60 -4.211 -0.636 -10.201 1.00 0.00 C ATOM 930 CE1 TYR A 60 -1.537 0.016 -10.385 1.00 0.00 C ATOM 931 CE2 TYR A 60 -3.421 -1.228 -11.169 1.00 0.00 C ATOM 932 CZ TYR A 60 -2.086 -0.902 -11.254 1.00 0.00 C ATOM 933 OH TYR A 60 -1.298 -1.486 -12.217 1.00 0.00 O ATOM 0 H TYR A 60 -4.823 -0.913 -6.181 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.975 1.290 -6.857 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.530 0.462 -8.269 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.709 1.987 -8.538 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.898 1.321 -8.741 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.257 -0.898 -10.134 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.491 0.274 -10.457 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.849 -1.943 -11.856 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.837 -2.110 -12.746 1.00 0.00 H new ATOM 943 N ALA A 61 -4.870 3.042 -6.176 1.00 0.00 N ATOM 944 CA ALA A 61 -5.662 3.996 -5.401 1.00 0.00 C ATOM 945 C ALA A 61 -5.440 3.800 -3.905 1.00 0.00 C ATOM 946 O ALA A 61 -6.386 3.583 -3.143 1.00 0.00 O ATOM 947 CB ALA A 61 -7.138 3.873 -5.752 1.00 0.00 C ATOM 0 H ALA A 61 -4.323 3.471 -6.922 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.332 5.002 -5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.712 4.590 -5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.278 4.077 -6.814 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.482 2.863 -5.528 1.00 0.00 H new ATOM 953 N VAL A 62 -4.184 3.876 -3.495 1.00 0.00 N ATOM 954 CA VAL A 62 -3.809 3.607 -2.117 1.00 0.00 C ATOM 955 C VAL A 62 -4.238 4.751 -1.207 1.00 0.00 C ATOM 956 O VAL A 62 -3.658 5.840 -1.230 1.00 0.00 O ATOM 957 CB VAL A 62 -2.290 3.376 -1.979 1.00 0.00 C ATOM 958 CG1 VAL A 62 -1.937 2.912 -0.573 1.00 0.00 C ATOM 959 CG2 VAL A 62 -1.806 2.376 -3.017 1.00 0.00 C ATOM 0 H VAL A 62 -3.403 4.124 -4.102 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.325 2.696 -1.814 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.783 4.325 -2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.861 2.756 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.243 3.670 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.454 1.977 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.732 2.226 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.322 1.426 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.016 2.758 -4.016 1.00 0.00 H new ATOM 969 N LYS A 63 -5.272 4.495 -0.426 1.00 0.00 N ATOM 970 CA LYS A 63 -5.797 5.463 0.507 1.00 0.00 C ATOM 971 C LYS A 63 -5.455 5.052 1.931 1.00 0.00 C ATOM 972 O LYS A 63 -6.028 4.103 2.468 1.00 0.00 O ATOM 973 CB LYS A 63 -7.310 5.563 0.347 1.00 0.00 C ATOM 974 CG LYS A 63 -7.747 6.120 -0.997 1.00 0.00 C ATOM 975 CD LYS A 63 -9.241 5.934 -1.223 1.00 0.00 C ATOM 976 CE LYS A 63 -9.591 4.484 -1.543 1.00 0.00 C ATOM 977 NZ LYS A 63 -9.061 4.059 -2.868 1.00 0.00 N ATOM 0 H LYS A 63 -5.770 3.605 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.349 6.435 0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.747 4.573 0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.709 6.196 1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.500 7.180 -1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.193 5.624 -1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.785 6.251 -0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.567 6.576 -2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.188 3.834 -0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.674 4.362 -1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.524 3.175 -3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.253 4.799 -3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.035 3.906 -2.798 1.00 0.00 H new ATOM 991 N VAL A 64 -4.506 5.752 2.522 1.00 0.00 N ATOM 992 CA VAL A 64 -4.099 5.488 3.894 1.00 0.00 C ATOM 993 C VAL A 64 -5.215 5.881 4.854 1.00 0.00 C ATOM 994 O VAL A 64 -5.980 6.807 4.577 1.00 0.00 O ATOM 995 CB VAL A 64 -2.807 6.257 4.253 1.00 0.00 C ATOM 996 CG1 VAL A 64 -2.358 5.959 5.679 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.700 5.918 3.270 1.00 0.00 C ATOM 0 H VAL A 64 -3.998 6.513 2.072 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.898 4.421 3.986 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.025 7.323 4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.447 6.516 5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.141 6.256 6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.164 4.891 5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.797 6.467 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.497 4.848 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.010 6.196 2.263 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.325 5.156 5.959 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.315 5.448 6.981 1.00 0.00 C ATOM 1009 C VAL A 65 -5.638 6.004 8.234 1.00 0.00 C ATOM 1010 O VAL A 65 -5.254 5.252 9.132 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.140 4.194 7.346 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.169 4.513 8.419 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.815 3.614 6.111 1.00 0.00 C ATOM 0 H VAL A 65 -4.732 4.353 6.170 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.996 6.196 6.575 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.455 3.446 7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.736 3.614 8.658 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.662 4.871 9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.848 5.284 8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.390 2.732 6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.482 4.359 5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.057 3.335 5.379 1.00 0.00 H new ATOM 1023 N PRO A 66 -5.424 7.324 8.293 1.00 0.00 N ATOM 1024 CA PRO A 66 -4.800 7.957 9.446 1.00 0.00 C ATOM 1025 C PRO A 66 -5.786 8.142 10.593 1.00 0.00 C ATOM 1026 O PRO A 66 -6.948 8.487 10.379 1.00 0.00 O ATOM 1027 CB PRO A 66 -4.339 9.307 8.902 1.00 0.00 C ATOM 1028 CG PRO A 66 -5.292 9.621 7.796 1.00 0.00 C ATOM 1029 CD PRO A 66 -5.776 8.304 7.247 1.00 0.00 C ATOM 0 HA PRO A 66 -3.989 7.359 9.861 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.365 10.074 9.676 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.313 9.257 8.537 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.128 10.216 8.164 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.801 10.206 7.018 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.850 8.320 7.062 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.293 8.066 6.299 1.00 0.00 H new