USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 570 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 51 THR OG1 : rot 166:sc= 1.15 USER MOD Set 1.2: A 58 SER OG : rot 61:sc= 1.09 USER MOD Set 2.1: A 33 LYS NZ :NH3+ -171:sc= 0.588 (180deg=-0.357) USER MOD Set 2.2: A 60 TYR OH : rot 180:sc= 0.637 USER MOD Single : A 1 MET CE :methyl 177:sc= -0.228 (180deg=-0.253) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0298 (180deg=-0.241) USER MOD Single : A 3 MET CE :methyl 142:sc= -0.227 (180deg=-1.8) USER MOD Single : A 4 ASN : amide:sc= 0.357 X(o=0.36,f=-0.054) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -113:sc= 1.29 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.261 X(o=0.26,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.57 K(o=-0.57,f=-0.011) USER MOD Single : A 36 ASN : amide:sc= -0.562 K(o=-0.56,f=-1.1) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 33:sc= 0.712 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.86 K(o=-0.86,f=-4.8!) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= 0.0603 (180deg=0.00986) USER MOD Single : A 69 HIS : no HD1:sc= -0.0232 X(o=-0.023,f=-0.4) USER MOD Single : A 70 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc=-0.00696 X(o=-0.007,f=-0.007) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.491 X(o=-0.49,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.516 6.377 6.263 1.00 0.00 N ATOM 2 CA MET A 1 5.858 5.939 7.488 1.00 0.00 C ATOM 3 C MET A 1 5.036 7.070 8.099 1.00 0.00 C ATOM 4 O MET A 1 5.217 7.421 9.264 1.00 0.00 O ATOM 5 CB MET A 1 6.892 5.431 8.490 1.00 0.00 C ATOM 6 CG MET A 1 7.701 4.235 8.011 1.00 0.00 C ATOM 7 SD MET A 1 8.921 3.689 9.223 1.00 0.00 S ATOM 8 CE MET A 1 7.858 2.971 10.473 1.00 0.00 C ATOM 0 H1 MET A 1 6.883 5.549 5.751 1.00 0.00 H new ATOM 0 H2 MET A 1 5.832 6.880 5.662 1.00 0.00 H new ATOM 0 H3 MET A 1 7.303 7.014 6.500 1.00 0.00 H new ATOM 0 HA MET A 1 5.179 5.123 7.239 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.577 6.244 8.730 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.381 5.161 9.414 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.024 3.411 7.786 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.209 4.494 7.082 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.469 2.540 11.266 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.213 3.745 10.891 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.244 2.191 10.024 1.00 0.00 H new ATOM 20 N ALA A 2 4.133 7.635 7.304 1.00 0.00 N ATOM 21 CA ALA A 2 3.364 8.799 7.728 1.00 0.00 C ATOM 22 C ALA A 2 1.970 8.393 8.196 1.00 0.00 C ATOM 23 O ALA A 2 1.417 8.995 9.117 1.00 0.00 O ATOM 24 CB ALA A 2 3.270 9.809 6.594 1.00 0.00 C ATOM 0 H ALA A 2 3.916 7.306 6.363 1.00 0.00 H new ATOM 0 HA ALA A 2 3.881 9.261 8.569 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.693 10.673 6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.272 10.129 6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.777 9.349 5.737 1.00 0.00 H new ATOM 30 N MET A 3 1.410 7.373 7.557 1.00 0.00 N ATOM 31 CA MET A 3 0.055 6.929 7.867 1.00 0.00 C ATOM 32 C MET A 3 -0.061 5.413 7.742 1.00 0.00 C ATOM 33 O MET A 3 0.802 4.761 7.155 1.00 0.00 O ATOM 34 CB MET A 3 -0.951 7.617 6.947 1.00 0.00 C ATOM 35 CG MET A 3 -0.771 7.301 5.469 1.00 0.00 C ATOM 36 SD MET A 3 -1.939 8.192 4.420 1.00 0.00 S ATOM 37 CE MET A 3 -1.499 9.887 4.790 1.00 0.00 C ATOM 0 H MET A 3 1.872 6.838 6.822 1.00 0.00 H new ATOM 0 HA MET A 3 -0.168 7.204 8.898 1.00 0.00 H new ATOM 0 HB2 MET A 3 -1.958 7.327 7.248 1.00 0.00 H new ATOM 0 HB3 MET A 3 -0.875 8.695 7.087 1.00 0.00 H new ATOM 0 HG2 MET A 3 0.246 7.553 5.169 1.00 0.00 H new ATOM 0 HG3 MET A 3 -0.893 6.229 5.313 1.00 0.00 H new ATOM 0 HE1 MET A 3 -1.561 10.486 3.881 1.00 0.00 H new ATOM 0 HE2 MET A 3 -2.186 10.287 5.536 1.00 0.00 H new ATOM 0 HE3 MET A 3 -0.481 9.922 5.179 1.00 0.00 H new ATOM 47 N ASN A 4 -1.134 4.858 8.297 1.00 0.00 N ATOM 48 CA ASN A 4 -1.354 3.418 8.262 1.00 0.00 C ATOM 49 C ASN A 4 -2.422 3.054 7.236 1.00 0.00 C ATOM 50 O ASN A 4 -3.238 3.891 6.851 1.00 0.00 O ATOM 51 CB ASN A 4 -1.731 2.879 9.630 1.00 0.00 C ATOM 52 CG ASN A 4 -0.615 2.944 10.635 1.00 0.00 C ATOM 53 OD1 ASN A 4 -0.587 3.822 11.506 1.00 0.00 O ATOM 54 ND2 ASN A 4 0.346 2.072 10.470 1.00 0.00 N ATOM 0 H ASN A 4 -1.864 5.385 8.776 1.00 0.00 H new ATOM 0 HA ASN A 4 -0.414 2.953 7.964 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.583 3.442 10.010 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -2.054 1.843 9.526 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.167 2.097 11.075 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.275 1.367 9.736 1.00 0.00 H new ATOM 61 N GLY A 5 -2.413 1.799 6.798 1.00 0.00 N ATOM 62 CA GLY A 5 -3.364 1.355 5.796 1.00 0.00 C ATOM 63 C GLY A 5 -4.226 0.207 6.281 1.00 0.00 C ATOM 64 O GLY A 5 -3.891 -0.459 7.261 1.00 0.00 O ATOM 0 H GLY A 5 -1.763 1.081 7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.004 2.190 5.512 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.825 1.047 4.900 1.00 0.00 H new ATOM 68 N THR A 6 -5.342 -0.025 5.597 1.00 0.00 N ATOM 69 CA THR A 6 -6.171 -1.194 5.862 1.00 0.00 C ATOM 70 C THR A 6 -6.301 -2.068 4.618 1.00 0.00 C ATOM 71 O THR A 6 -6.430 -1.561 3.503 1.00 0.00 O ATOM 72 CB THR A 6 -7.577 -0.792 6.344 1.00 0.00 C ATOM 73 OG1 THR A 6 -7.470 -0.028 7.552 1.00 0.00 O ATOM 74 CG2 THR A 6 -8.427 -2.027 6.602 1.00 0.00 C ATOM 0 H THR A 6 -5.692 0.581 4.855 1.00 0.00 H new ATOM 0 HA THR A 6 -5.676 -1.760 6.651 1.00 0.00 H new ATOM 0 HB THR A 6 -8.053 -0.193 5.568 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.365 0.229 7.857 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.417 -1.723 6.942 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.521 -2.603 5.681 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.953 -2.641 7.368 1.00 0.00 H new ATOM 82 N ILE A 7 -6.266 -3.381 4.817 1.00 0.00 N ATOM 83 CA ILE A 7 -6.341 -4.323 3.708 1.00 0.00 C ATOM 84 C ILE A 7 -7.758 -4.412 3.155 1.00 0.00 C ATOM 85 O ILE A 7 -8.727 -4.517 3.910 1.00 0.00 O ATOM 86 CB ILE A 7 -5.874 -5.729 4.131 1.00 0.00 C ATOM 87 CG1 ILE A 7 -5.844 -6.667 2.922 1.00 0.00 C ATOM 88 CG2 ILE A 7 -6.781 -6.285 5.217 1.00 0.00 C ATOM 89 CD1 ILE A 7 -5.227 -8.017 3.212 1.00 0.00 C ATOM 0 H ILE A 7 -6.186 -3.816 5.736 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.676 -3.948 2.930 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.864 -5.653 4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.862 -6.813 2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.287 -6.189 2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.437 -7.279 5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.755 -5.627 6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.802 -6.349 4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.241 -8.625 2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.197 -7.883 3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.797 -8.517 3.995 1.00 0.00 H new ATOM 101 N THR A 8 -7.875 -4.369 1.831 1.00 0.00 N ATOM 102 CA THR A 8 -9.101 -4.781 1.159 1.00 0.00 C ATOM 103 C THR A 8 -8.949 -6.167 0.542 1.00 0.00 C ATOM 104 O THR A 8 -9.738 -7.071 0.819 1.00 0.00 O ATOM 105 CB THR A 8 -9.506 -3.781 0.061 1.00 0.00 C ATOM 106 OG1 THR A 8 -9.665 -2.476 0.634 1.00 0.00 O ATOM 107 CG2 THR A 8 -10.813 -4.206 -0.592 1.00 0.00 C ATOM 0 H THR A 8 -7.136 -4.053 1.203 1.00 0.00 H new ATOM 0 HA THR A 8 -9.883 -4.808 1.917 1.00 0.00 H new ATOM 0 HB THR A 8 -8.723 -3.760 -0.697 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.921 -1.840 -0.066 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.084 -3.487 -1.366 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.692 -5.193 -1.039 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.601 -4.243 0.161 1.00 0.00 H new ATOM 115 N THR A 9 -7.930 -6.329 -0.297 1.00 0.00 N ATOM 116 CA THR A 9 -7.563 -7.642 -0.811 1.00 0.00 C ATOM 117 C THR A 9 -6.049 -7.810 -0.858 1.00 0.00 C ATOM 118 O THR A 9 -5.310 -6.833 -0.982 1.00 0.00 O ATOM 119 CB THR A 9 -8.141 -7.879 -2.218 1.00 0.00 C ATOM 120 OG1 THR A 9 -7.576 -6.935 -3.136 1.00 0.00 O ATOM 121 CG2 THR A 9 -9.655 -7.726 -2.206 1.00 0.00 C ATOM 0 H THR A 9 -7.344 -5.566 -0.635 1.00 0.00 H new ATOM 0 HA THR A 9 -7.986 -8.378 -0.127 1.00 0.00 H new ATOM 0 HB THR A 9 -7.891 -8.893 -2.530 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.273 -6.317 -3.440 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.046 -7.897 -3.209 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.089 -8.452 -1.519 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.916 -6.719 -1.882 1.00 0.00 H new ATOM 129 N TRP A 10 -5.593 -9.053 -0.760 1.00 0.00 N ATOM 130 CA TRP A 10 -4.179 -9.365 -0.935 1.00 0.00 C ATOM 131 C TRP A 10 -3.991 -10.478 -1.961 1.00 0.00 C ATOM 132 O TRP A 10 -4.498 -11.585 -1.791 1.00 0.00 O ATOM 133 CB TRP A 10 -3.551 -9.768 0.400 1.00 0.00 C ATOM 134 CG TRP A 10 -2.067 -9.963 0.329 1.00 0.00 C ATOM 135 CD1 TRP A 10 -1.202 -9.335 -0.516 1.00 0.00 C ATOM 136 CD2 TRP A 10 -1.274 -10.847 1.132 1.00 0.00 C ATOM 137 NE1 TRP A 10 0.081 -9.770 -0.291 1.00 0.00 N ATOM 138 CE2 TRP A 10 0.062 -10.699 0.719 1.00 0.00 C ATOM 139 CE3 TRP A 10 -1.567 -11.748 2.162 1.00 0.00 C ATOM 140 CZ2 TRP A 10 1.100 -11.416 1.294 1.00 0.00 C ATOM 141 CZ3 TRP A 10 -0.526 -12.466 2.739 1.00 0.00 C ATOM 142 CH2 TRP A 10 0.769 -12.303 2.318 1.00 0.00 C ATOM 0 H TRP A 10 -6.182 -9.862 -0.560 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.678 -8.469 -1.303 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.773 -9.002 1.143 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -4.015 -10.692 0.746 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -1.485 -8.601 -1.256 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.912 -9.455 -0.792 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -2.583 -11.883 2.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 2.121 -11.293 0.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.741 -13.165 3.534 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.552 -12.876 2.792 1.00 0.00 H new ATOM 153 N PHE A 11 -3.256 -10.175 -3.026 1.00 0.00 N ATOM 154 CA PHE A 11 -2.949 -11.168 -4.051 1.00 0.00 C ATOM 155 C PHE A 11 -1.469 -11.537 -4.024 1.00 0.00 C ATOM 156 O PHE A 11 -0.671 -11.012 -4.800 1.00 0.00 O ATOM 157 CB PHE A 11 -3.339 -10.647 -5.435 1.00 0.00 C ATOM 158 CG PHE A 11 -4.792 -10.287 -5.559 1.00 0.00 C ATOM 159 CD1 PHE A 11 -5.750 -11.266 -5.775 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.204 -8.966 -5.460 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.086 -10.936 -5.891 1.00 0.00 C ATOM 162 CE2 PHE A 11 -6.541 -8.633 -5.574 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.481 -9.617 -5.790 1.00 0.00 C ATOM 0 H PHE A 11 -2.862 -9.251 -3.202 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.530 -12.065 -3.838 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.736 -9.769 -5.666 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.097 -11.405 -6.180 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.447 -12.300 -5.854 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.472 -8.189 -5.292 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.821 -11.709 -6.061 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.849 -7.601 -5.494 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.525 -9.357 -5.880 1.00 0.00 H new ATOM 173 N LYS A 12 -1.108 -12.445 -3.123 1.00 0.00 N ATOM 174 CA LYS A 12 0.291 -12.790 -2.901 1.00 0.00 C ATOM 175 C LYS A 12 0.902 -13.420 -4.148 1.00 0.00 C ATOM 176 O LYS A 12 2.033 -13.112 -4.520 1.00 0.00 O ATOM 177 CB LYS A 12 0.427 -13.739 -1.709 1.00 0.00 C ATOM 178 CG LYS A 12 1.863 -14.113 -1.362 1.00 0.00 C ATOM 179 CD LYS A 12 1.918 -15.039 -0.157 1.00 0.00 C ATOM 180 CE LYS A 12 3.350 -15.435 0.172 1.00 0.00 C ATOM 181 NZ LYS A 12 3.415 -16.395 1.307 1.00 0.00 N ATOM 0 H LYS A 12 -1.766 -12.956 -2.534 1.00 0.00 H new ATOM 0 HA LYS A 12 0.833 -11.870 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.036 -13.276 -0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.132 -14.651 -1.920 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.331 -14.599 -2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.436 -13.209 -1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.468 -14.545 0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.328 -15.934 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.814 -15.881 -0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.926 -14.543 0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.408 -16.639 1.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.995 -15.961 2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.887 -17.257 1.063 1.00 0.00 H new ATOM 195 N ASP A 13 0.144 -14.301 -4.791 1.00 0.00 N ATOM 196 CA ASP A 13 0.634 -15.024 -5.960 1.00 0.00 C ATOM 197 C ASP A 13 0.799 -14.083 -7.149 1.00 0.00 C ATOM 198 O ASP A 13 1.574 -14.355 -8.066 1.00 0.00 O ATOM 199 CB ASP A 13 -0.315 -16.170 -6.321 1.00 0.00 C ATOM 200 CG ASP A 13 -0.266 -17.352 -5.361 1.00 0.00 C ATOM 201 OD1 ASP A 13 0.644 -17.413 -4.569 1.00 0.00 O ATOM 202 OD2 ASP A 13 -1.215 -18.098 -5.321 1.00 0.00 O ATOM 0 H ASP A 13 -0.813 -14.532 -4.523 1.00 0.00 H new ATOM 0 HA ASP A 13 1.610 -15.443 -5.713 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.334 -15.785 -6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.075 -16.522 -7.324 1.00 0.00 H new ATOM 207 N LYS A 14 0.065 -12.976 -7.129 1.00 0.00 N ATOM 208 CA LYS A 14 0.113 -12.005 -8.214 1.00 0.00 C ATOM 209 C LYS A 14 1.064 -10.860 -7.879 1.00 0.00 C ATOM 210 O LYS A 14 1.506 -10.129 -8.763 1.00 0.00 O ATOM 211 CB LYS A 14 -1.287 -11.461 -8.509 1.00 0.00 C ATOM 212 CG LYS A 14 -2.324 -12.530 -8.825 1.00 0.00 C ATOM 213 CD LYS A 14 -1.970 -13.285 -10.098 1.00 0.00 C ATOM 214 CE LYS A 14 -3.032 -14.319 -10.443 1.00 0.00 C ATOM 215 NZ LYS A 14 -2.681 -15.091 -11.666 1.00 0.00 N ATOM 0 H LYS A 14 -0.571 -12.729 -6.371 1.00 0.00 H new ATOM 0 HA LYS A 14 0.487 -12.512 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.628 -10.884 -7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.226 -10.772 -9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.393 -13.230 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.305 -12.067 -8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.864 -12.581 -10.923 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.006 -13.778 -9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.157 -15.004 -9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.990 -13.820 -10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.430 -15.784 -11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.587 -14.441 -12.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.780 -15.589 -11.516 1.00 0.00 H new ATOM 229 N GLY A 15 1.375 -10.712 -6.594 1.00 0.00 N ATOM 230 CA GLY A 15 2.237 -9.628 -6.161 1.00 0.00 C ATOM 231 C GLY A 15 1.529 -8.288 -6.160 1.00 0.00 C ATOM 232 O GLY A 15 2.140 -7.254 -6.432 1.00 0.00 O ATOM 0 H GLY A 15 1.046 -11.323 -5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.607 -9.841 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.106 -9.575 -6.817 1.00 0.00 H new ATOM 236 N PHE A 16 0.235 -8.305 -5.855 1.00 0.00 N ATOM 237 CA PHE A 16 -0.548 -7.077 -5.780 1.00 0.00 C ATOM 238 C PHE A 16 -1.458 -7.087 -4.554 1.00 0.00 C ATOM 239 O PHE A 16 -1.755 -8.144 -3.998 1.00 0.00 O ATOM 240 CB PHE A 16 -1.375 -6.890 -7.052 1.00 0.00 C ATOM 241 CG PHE A 16 -0.549 -6.794 -8.304 1.00 0.00 C ATOM 242 CD1 PHE A 16 0.159 -5.639 -8.598 1.00 0.00 C ATOM 243 CD2 PHE A 16 -0.478 -7.861 -9.188 1.00 0.00 C ATOM 244 CE1 PHE A 16 0.918 -5.549 -9.749 1.00 0.00 C ATOM 245 CE2 PHE A 16 0.282 -7.774 -10.338 1.00 0.00 C ATOM 246 CZ PHE A 16 0.980 -6.618 -10.619 1.00 0.00 C ATOM 0 H PHE A 16 -0.293 -9.155 -5.656 1.00 0.00 H new ATOM 0 HA PHE A 16 0.144 -6.240 -5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.069 -7.725 -7.149 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.976 -5.986 -6.954 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.117 -4.800 -7.919 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.023 -8.769 -8.975 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.462 -4.642 -9.968 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.330 -8.612 -11.018 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.574 -6.550 -11.518 1.00 0.00 H new ATOM 256 N GLY A 17 -1.896 -5.903 -4.139 1.00 0.00 N ATOM 257 CA GLY A 17 -2.918 -5.808 -3.114 1.00 0.00 C ATOM 258 C GLY A 17 -3.668 -4.490 -3.162 1.00 0.00 C ATOM 259 O GLY A 17 -3.264 -3.564 -3.865 1.00 0.00 O ATOM 0 H GLY A 17 -1.561 -5.008 -4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.625 -6.629 -3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.457 -5.924 -2.133 1.00 0.00 H new ATOM 263 N PHE A 18 -4.763 -4.406 -2.416 1.00 0.00 N ATOM 264 CA PHE A 18 -5.573 -3.194 -2.379 1.00 0.00 C ATOM 265 C PHE A 18 -5.545 -2.563 -0.989 1.00 0.00 C ATOM 266 O PHE A 18 -5.650 -3.260 0.022 1.00 0.00 O ATOM 267 CB PHE A 18 -7.013 -3.497 -2.793 1.00 0.00 C ATOM 268 CG PHE A 18 -7.154 -3.918 -4.229 1.00 0.00 C ATOM 269 CD1 PHE A 18 -6.146 -3.659 -5.145 1.00 0.00 C ATOM 270 CD2 PHE A 18 -8.295 -4.575 -4.666 1.00 0.00 C ATOM 271 CE1 PHE A 18 -6.275 -4.045 -6.466 1.00 0.00 C ATOM 272 CE2 PHE A 18 -8.427 -4.963 -5.985 1.00 0.00 C ATOM 273 CZ PHE A 18 -7.415 -4.698 -6.885 1.00 0.00 C ATOM 0 H PHE A 18 -5.111 -5.163 -1.828 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.148 -2.483 -3.088 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -7.407 -4.286 -2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.625 -2.611 -2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.250 -3.150 -4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -9.090 -4.786 -3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.483 -3.835 -7.170 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.321 -5.473 -6.312 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.516 -5.002 -7.917 1.00 0.00 H new ATOM 283 N ILE A 19 -5.402 -1.243 -0.947 1.00 0.00 N ATOM 284 CA ILE A 19 -5.183 -0.539 0.310 1.00 0.00 C ATOM 285 C ILE A 19 -6.231 0.549 0.520 1.00 0.00 C ATOM 286 O ILE A 19 -6.554 1.301 -0.399 1.00 0.00 O ATOM 287 CB ILE A 19 -3.781 0.094 0.367 1.00 0.00 C ATOM 288 CG1 ILE A 19 -3.481 0.601 1.780 1.00 0.00 C ATOM 289 CG2 ILE A 19 -3.666 1.225 -0.643 1.00 0.00 C ATOM 290 CD1 ILE A 19 -3.144 -0.497 2.764 1.00 0.00 C ATOM 0 H ILE A 19 -5.434 -0.640 -1.769 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.268 -1.280 1.105 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.046 -0.669 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.649 1.303 1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.345 1.154 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.668 1.661 -0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.838 0.836 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.409 1.990 -0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.944 -0.060 3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.984 -1.188 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.261 -1.036 2.420 1.00 0.00 H new ATOM 302 N LYS A 20 -6.760 0.626 1.736 1.00 0.00 N ATOM 303 CA LYS A 20 -7.655 1.715 2.115 1.00 0.00 C ATOM 304 C LYS A 20 -6.897 2.805 2.864 1.00 0.00 C ATOM 305 O LYS A 20 -6.271 2.546 3.892 1.00 0.00 O ATOM 306 CB LYS A 20 -8.809 1.189 2.970 1.00 0.00 C ATOM 307 CG LYS A 20 -9.846 2.241 3.341 1.00 0.00 C ATOM 308 CD LYS A 20 -10.947 1.650 4.210 1.00 0.00 C ATOM 309 CE LYS A 20 -11.981 2.702 4.585 1.00 0.00 C ATOM 310 NZ LYS A 20 -13.068 2.136 5.428 1.00 0.00 N ATOM 0 H LYS A 20 -6.585 -0.053 2.477 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.066 2.148 1.203 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.305 0.381 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.401 0.760 3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.362 3.061 3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.281 2.661 2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.433 0.832 3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.511 1.227 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.493 3.516 5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.410 3.129 3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.751 2.884 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.551 1.376 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.663 1.751 6.305 1.00 0.00 H new ATOM 324 N ASP A 21 -6.957 4.026 2.344 1.00 0.00 N ATOM 325 CA ASP A 21 -6.294 5.160 2.975 1.00 0.00 C ATOM 326 C ASP A 21 -7.098 5.667 4.168 1.00 0.00 C ATOM 327 O ASP A 21 -8.328 5.612 4.165 1.00 0.00 O ATOM 328 CB ASP A 21 -6.080 6.289 1.964 1.00 0.00 C ATOM 329 CG ASP A 21 -5.188 7.419 2.460 1.00 0.00 C ATOM 330 OD1 ASP A 21 -4.919 7.463 3.637 1.00 0.00 O ATOM 331 OD2 ASP A 21 -4.657 8.132 1.644 1.00 0.00 O ATOM 0 H ASP A 21 -7.459 4.255 1.486 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.322 4.823 3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.644 5.870 1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.050 6.703 1.689 1.00 0.00 H new ATOM 336 N GLU A 22 -6.396 6.160 5.182 1.00 0.00 N ATOM 337 CA GLU A 22 -7.043 6.843 6.296 1.00 0.00 C ATOM 338 C GLU A 22 -7.868 8.028 5.804 1.00 0.00 C ATOM 339 O GLU A 22 -8.784 8.486 6.487 1.00 0.00 O ATOM 340 CB GLU A 22 -6.002 7.311 7.316 1.00 0.00 C ATOM 341 CG GLU A 22 -5.249 6.185 8.009 1.00 0.00 C ATOM 342 CD GLU A 22 -4.131 6.719 8.862 1.00 0.00 C ATOM 343 OE1 GLU A 22 -4.008 7.916 8.965 1.00 0.00 O ATOM 344 OE2 GLU A 22 -3.470 5.933 9.499 1.00 0.00 O ATOM 0 H GLU A 22 -5.380 6.100 5.256 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.715 6.135 6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.282 7.956 6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.500 7.918 8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.938 5.610 8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.845 5.501 7.262 1.00 0.00 H new ATOM 351 N ASN A 23 -7.537 8.519 4.615 1.00 0.00 N ATOM 352 CA ASN A 23 -8.293 9.603 3.998 1.00 0.00 C ATOM 353 C ASN A 23 -9.555 9.073 3.323 1.00 0.00 C ATOM 354 O ASN A 23 -10.395 9.843 2.862 1.00 0.00 O ATOM 355 CB ASN A 23 -7.446 10.375 3.003 1.00 0.00 C ATOM 356 CG ASN A 23 -6.267 11.072 3.623 1.00 0.00 C ATOM 357 OD1 ASN A 23 -6.420 11.972 4.456 1.00 0.00 O ATOM 358 ND2 ASN A 23 -5.095 10.718 3.160 1.00 0.00 N ATOM 0 H ASN A 23 -6.750 8.184 4.059 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.587 10.288 4.793 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.088 9.689 2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.072 11.114 2.503 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.253 11.192 3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.024 9.968 2.473 1.00 0.00 H new ATOM 365 N GLY A 24 -9.680 7.750 3.273 1.00 0.00 N ATOM 366 CA GLY A 24 -10.863 7.138 2.695 1.00 0.00 C ATOM 367 C GLY A 24 -10.687 6.812 1.224 1.00 0.00 C ATOM 368 O GLY A 24 -11.599 6.287 0.586 1.00 0.00 O ATOM 0 H GLY A 24 -8.984 7.091 3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.099 6.225 3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.712 7.810 2.816 1.00 0.00 H new ATOM 372 N ASP A 25 -9.514 7.124 0.687 1.00 0.00 N ATOM 373 CA ASP A 25 -9.217 6.850 -0.713 1.00 0.00 C ATOM 374 C ASP A 25 -8.672 5.435 -0.886 1.00 0.00 C ATOM 375 O ASP A 25 -7.751 5.024 -0.181 1.00 0.00 O ATOM 376 CB ASP A 25 -8.218 7.872 -1.262 1.00 0.00 C ATOM 377 CG ASP A 25 -7.851 7.670 -2.726 1.00 0.00 C ATOM 378 OD1 ASP A 25 -8.735 7.699 -3.549 1.00 0.00 O ATOM 379 OD2 ASP A 25 -6.682 7.646 -3.025 1.00 0.00 O ATOM 0 H ASP A 25 -8.752 7.567 1.201 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.146 6.933 -1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.635 8.872 -1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.308 7.830 -0.663 1.00 0.00 H new ATOM 384 N ASN A 26 -9.247 4.697 -1.830 1.00 0.00 N ATOM 385 CA ASN A 26 -8.801 3.337 -2.114 1.00 0.00 C ATOM 386 C ASN A 26 -7.783 3.325 -3.250 1.00 0.00 C ATOM 387 O ASN A 26 -8.021 3.893 -4.316 1.00 0.00 O ATOM 388 CB ASN A 26 -9.969 2.425 -2.443 1.00 0.00 C ATOM 389 CG ASN A 26 -10.913 2.212 -1.293 1.00 0.00 C ATOM 390 OD1 ASN A 26 -10.543 1.651 -0.255 1.00 0.00 O ATOM 391 ND2 ASN A 26 -12.151 2.582 -1.502 1.00 0.00 N ATOM 0 H ASN A 26 -10.022 5.017 -2.411 1.00 0.00 H new ATOM 0 HA ASN A 26 -8.321 2.957 -1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -10.522 2.847 -3.282 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -9.583 1.459 -2.769 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -12.862 2.411 -0.791 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -12.405 3.042 -2.376 1.00 0.00 H new ATOM 398 N ARG A 27 -6.650 2.672 -3.014 1.00 0.00 N ATOM 399 CA ARG A 27 -5.547 2.688 -3.968 1.00 0.00 C ATOM 400 C ARG A 27 -4.989 1.282 -4.176 1.00 0.00 C ATOM 401 O ARG A 27 -5.190 0.394 -3.347 1.00 0.00 O ATOM 402 CB ARG A 27 -4.455 3.670 -3.570 1.00 0.00 C ATOM 403 CG ARG A 27 -4.870 5.133 -3.600 1.00 0.00 C ATOM 404 CD ARG A 27 -3.746 6.091 -3.436 1.00 0.00 C ATOM 405 NE ARG A 27 -3.103 6.046 -2.133 1.00 0.00 N ATOM 406 CZ ARG A 27 -3.547 6.695 -1.038 1.00 0.00 C ATOM 407 NH1 ARG A 27 -4.611 7.465 -1.091 1.00 0.00 N ATOM 408 NH2 ARG A 27 -2.869 6.553 0.088 1.00 0.00 N ATOM 0 H ARG A 27 -6.472 2.126 -2.171 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.946 3.038 -4.920 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.114 3.424 -2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.604 3.535 -4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.371 5.337 -4.546 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.599 5.308 -2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.999 5.890 -4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.117 7.101 -3.610 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.257 5.484 -2.041 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.115 7.579 -1.971 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.933 7.949 -0.253 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.036 5.965 0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.179 7.031 0.934 1.00 0.00 H new ATOM 422 N TYR A 28 -4.287 1.089 -5.287 1.00 0.00 N ATOM 423 CA TYR A 28 -3.659 -0.193 -5.581 1.00 0.00 C ATOM 424 C TYR A 28 -2.198 -0.198 -5.141 1.00 0.00 C ATOM 425 O TYR A 28 -1.458 0.750 -5.398 1.00 0.00 O ATOM 426 CB TYR A 28 -3.761 -0.512 -7.074 1.00 0.00 C ATOM 427 CG TYR A 28 -5.180 -0.690 -7.567 1.00 0.00 C ATOM 428 CD1 TYR A 28 -6.246 -0.703 -6.680 1.00 0.00 C ATOM 429 CD2 TYR A 28 -5.449 -0.843 -8.919 1.00 0.00 C ATOM 430 CE1 TYR A 28 -7.545 -0.864 -7.125 1.00 0.00 C ATOM 431 CE2 TYR A 28 -6.742 -1.005 -9.376 1.00 0.00 C ATOM 432 CZ TYR A 28 -7.788 -1.015 -8.476 1.00 0.00 C ATOM 433 OH TYR A 28 -9.079 -1.176 -8.925 1.00 0.00 O ATOM 0 H TYR A 28 -4.139 1.804 -5.999 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.189 -0.963 -5.021 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.288 0.290 -7.640 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.198 -1.422 -7.280 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.058 -0.585 -5.623 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.633 -0.835 -9.627 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -8.364 -0.872 -6.421 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.934 -1.123 -10.432 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.077 -1.268 -9.901 1.00 0.00 H new ATOM 443 N PHE A 29 -1.791 -1.274 -4.475 1.00 0.00 N ATOM 444 CA PHE A 29 -0.401 -1.438 -4.065 1.00 0.00 C ATOM 445 C PHE A 29 0.276 -2.543 -4.869 1.00 0.00 C ATOM 446 O PHE A 29 -0.283 -3.625 -5.055 1.00 0.00 O ATOM 447 CB PHE A 29 -0.317 -1.746 -2.569 1.00 0.00 C ATOM 448 CG PHE A 29 -0.211 -0.522 -1.704 1.00 0.00 C ATOM 449 CD1 PHE A 29 -0.117 0.739 -2.271 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.205 -0.630 -0.321 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.020 1.867 -1.477 1.00 0.00 C ATOM 452 CE2 PHE A 29 -0.109 0.494 0.475 1.00 0.00 C ATOM 453 CZ PHE A 29 -0.017 1.744 -0.103 1.00 0.00 C ATOM 0 H PHE A 29 -2.403 -2.045 -4.208 1.00 0.00 H new ATOM 0 HA PHE A 29 0.122 -0.502 -4.260 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.200 -2.313 -2.274 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.547 -2.385 -2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.120 0.842 -3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.276 -1.605 0.138 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.053 2.844 -1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.106 0.395 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.057 2.624 0.519 1.00 0.00 H new ATOM 463 N HIS A 30 1.486 -2.266 -5.345 1.00 0.00 N ATOM 464 CA HIS A 30 2.275 -3.262 -6.058 1.00 0.00 C ATOM 465 C HIS A 30 3.408 -3.789 -5.181 1.00 0.00 C ATOM 466 O HIS A 30 4.002 -3.043 -4.403 1.00 0.00 O ATOM 467 CB HIS A 30 2.843 -2.678 -7.356 1.00 0.00 C ATOM 468 CG HIS A 30 1.793 -2.268 -8.341 1.00 0.00 C ATOM 469 ND1 HIS A 30 2.093 -1.882 -9.631 1.00 0.00 N ATOM 470 CD2 HIS A 30 0.447 -2.181 -8.226 1.00 0.00 C ATOM 471 CE1 HIS A 30 0.975 -1.578 -10.266 1.00 0.00 C ATOM 472 NE2 HIS A 30 -0.037 -1.751 -9.436 1.00 0.00 N ATOM 0 H HIS A 30 1.941 -1.358 -5.249 1.00 0.00 H new ATOM 0 HA HIS A 30 1.615 -4.093 -6.308 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.460 -1.813 -7.115 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.496 -3.416 -7.821 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.137 -2.408 -7.346 1.00 0.00 H new ATOM 0 HE1 HIS A 30 0.901 -1.244 -11.291 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.020 -1.591 -9.658 1.00 0.00 H new ATOM 479 N VAL A 31 3.698 -5.079 -5.309 1.00 0.00 N ATOM 480 CA VAL A 31 4.789 -5.695 -4.563 1.00 0.00 C ATOM 481 C VAL A 31 6.113 -4.993 -4.843 1.00 0.00 C ATOM 482 O VAL A 31 7.028 -5.021 -4.019 1.00 0.00 O ATOM 483 CB VAL A 31 4.930 -7.192 -4.900 1.00 0.00 C ATOM 484 CG1 VAL A 31 5.464 -7.371 -6.313 1.00 0.00 C ATOM 485 CG2 VAL A 31 5.842 -7.880 -3.896 1.00 0.00 C ATOM 0 H VAL A 31 3.193 -5.718 -5.922 1.00 0.00 H new ATOM 0 HA VAL A 31 4.544 -5.593 -3.506 1.00 0.00 H new ATOM 0 HB VAL A 31 3.944 -7.653 -4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.558 -8.434 -6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.776 -6.911 -7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.442 -6.896 -6.395 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.930 -8.937 -4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.828 -7.417 -3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.422 -7.781 -2.895 1.00 0.00 H new ATOM 495 N ILE A 32 6.206 -4.362 -6.009 1.00 0.00 N ATOM 496 CA ILE A 32 7.383 -3.577 -6.360 1.00 0.00 C ATOM 497 C ILE A 32 7.381 -2.233 -5.642 1.00 0.00 C ATOM 498 O ILE A 32 8.437 -1.689 -5.316 1.00 0.00 O ATOM 499 CB ILE A 32 7.470 -3.339 -7.878 1.00 0.00 C ATOM 500 CG1 ILE A 32 7.727 -4.658 -8.612 1.00 0.00 C ATOM 501 CG2 ILE A 32 8.562 -2.329 -8.196 1.00 0.00 C ATOM 502 CD1 ILE A 32 7.571 -4.563 -10.112 1.00 0.00 C ATOM 0 H ILE A 32 5.481 -4.379 -6.726 1.00 0.00 H new ATOM 0 HA ILE A 32 8.252 -4.153 -6.043 1.00 0.00 H new ATOM 0 HB ILE A 32 6.517 -2.935 -8.220 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.736 -5.000 -8.382 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.040 -5.414 -8.232 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.610 -2.172 -9.274 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.339 -1.384 -7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.521 -2.706 -7.841 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.769 -5.536 -10.561 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.554 -4.252 -10.353 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.277 -3.832 -10.506 1.00 0.00 H new ATOM 514 N LYS A 33 6.189 -1.701 -5.396 1.00 0.00 N ATOM 515 CA LYS A 33 6.044 -0.325 -4.939 1.00 0.00 C ATOM 516 C LYS A 33 5.962 -0.261 -3.418 1.00 0.00 C ATOM 517 O LYS A 33 5.658 0.785 -2.845 1.00 0.00 O ATOM 518 CB LYS A 33 4.805 0.320 -5.562 1.00 0.00 C ATOM 519 CG LYS A 33 4.898 0.538 -7.066 1.00 0.00 C ATOM 520 CD LYS A 33 3.643 1.205 -7.608 1.00 0.00 C ATOM 521 CE LYS A 33 3.795 1.561 -9.080 1.00 0.00 C ATOM 522 NZ LYS A 33 4.887 2.548 -9.304 1.00 0.00 N ATOM 0 H LYS A 33 5.308 -2.203 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 33 6.926 0.230 -5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.939 -0.307 -5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.628 1.281 -5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.767 1.156 -7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.048 -0.419 -7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.790 0.538 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.432 2.107 -7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.000 0.657 -9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.856 1.968 -9.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.859 2.878 -10.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.760 3.358 -8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.806 2.098 -9.115 1.00 0.00 H new ATOM 536 N VAL A 34 6.234 -1.389 -2.768 1.00 0.00 N ATOM 537 CA VAL A 34 6.294 -1.437 -1.312 1.00 0.00 C ATOM 538 C VAL A 34 7.731 -1.592 -0.827 1.00 0.00 C ATOM 539 O VAL A 34 8.559 -2.214 -1.493 1.00 0.00 O ATOM 540 CB VAL A 34 5.447 -2.593 -0.752 1.00 0.00 C ATOM 541 CG1 VAL A 34 3.981 -2.401 -1.106 1.00 0.00 C ATOM 542 CG2 VAL A 34 5.959 -3.928 -1.272 1.00 0.00 C ATOM 0 H VAL A 34 6.416 -2.281 -3.227 1.00 0.00 H new ATOM 0 HA VAL A 34 5.890 -0.493 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 34 5.536 -2.593 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.398 -3.228 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.624 -1.463 -0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.869 -2.374 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.349 -4.735 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.901 -3.941 -2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.995 -4.066 -0.963 1.00 0.00 H new ATOM 552 N ALA A 35 8.023 -1.023 0.339 1.00 0.00 N ATOM 553 CA ALA A 35 9.372 -1.055 0.888 1.00 0.00 C ATOM 554 C ALA A 35 9.775 -2.474 1.273 1.00 0.00 C ATOM 555 O ALA A 35 10.938 -2.856 1.144 1.00 0.00 O ATOM 556 CB ALA A 35 9.473 -0.129 2.092 1.00 0.00 C ATOM 0 H ALA A 35 7.342 -0.534 0.921 1.00 0.00 H new ATOM 0 HA ALA A 35 10.060 -0.708 0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.486 -0.162 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.237 0.891 1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.769 -0.451 2.859 1.00 0.00 H new ATOM 562 N ASN A 36 8.808 -3.251 1.749 1.00 0.00 N ATOM 563 CA ASN A 36 9.034 -4.661 2.043 1.00 0.00 C ATOM 564 C ASN A 36 8.338 -5.550 1.016 1.00 0.00 C ATOM 565 O ASN A 36 7.213 -6.009 1.216 1.00 0.00 O ATOM 566 CB ASN A 36 8.575 -5.017 3.446 1.00 0.00 C ATOM 567 CG ASN A 36 9.435 -4.431 4.531 1.00 0.00 C ATOM 568 OD1 ASN A 36 10.596 -4.070 4.304 1.00 0.00 O ATOM 569 ND2 ASN A 36 8.902 -4.410 5.725 1.00 0.00 N ATOM 0 H ASN A 36 7.860 -2.928 1.939 1.00 0.00 H new ATOM 0 HA ASN A 36 10.108 -4.838 1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.550 -4.672 3.582 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.563 -6.102 3.550 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.449 -4.085 6.522 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.939 -4.719 5.859 1.00 0.00 H new ATOM 576 N PRO A 37 9.023 -5.800 -0.111 1.00 0.00 N ATOM 577 CA PRO A 37 8.502 -6.656 -1.179 1.00 0.00 C ATOM 578 C PRO A 37 8.421 -8.120 -0.761 1.00 0.00 C ATOM 579 O PRO A 37 7.342 -8.712 -0.747 1.00 0.00 O ATOM 580 CB PRO A 37 9.487 -6.448 -2.333 1.00 0.00 C ATOM 581 CG PRO A 37 10.759 -6.045 -1.667 1.00 0.00 C ATOM 582 CD PRO A 37 10.342 -5.225 -0.475 1.00 0.00 C ATOM 0 HA PRO A 37 7.478 -6.396 -1.449 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.615 -7.360 -2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.137 -5.678 -3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.336 -6.918 -1.361 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.390 -5.466 -2.341 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.058 -5.311 0.343 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.265 -4.166 -0.722 1.00 0.00 H new ATOM 590 N ASP A 38 9.568 -8.699 -0.423 1.00 0.00 N ATOM 591 CA ASP A 38 9.636 -10.110 -0.064 1.00 0.00 C ATOM 592 C ASP A 38 8.894 -10.375 1.242 1.00 0.00 C ATOM 593 O ASP A 38 8.348 -11.459 1.451 1.00 0.00 O ATOM 594 CB ASP A 38 11.092 -10.566 0.054 1.00 0.00 C ATOM 595 CG ASP A 38 11.817 -10.705 -1.278 1.00 0.00 C ATOM 596 OD1 ASP A 38 11.163 -10.684 -2.293 1.00 0.00 O ATOM 597 OD2 ASP A 38 13.024 -10.672 -1.279 1.00 0.00 O ATOM 0 H ASP A 38 10.464 -8.212 -0.390 1.00 0.00 H new ATOM 0 HA ASP A 38 9.154 -10.682 -0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.634 -9.854 0.676 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.119 -11.526 0.570 1.00 0.00 H new ATOM 602 N LEU A 39 8.881 -9.379 2.121 1.00 0.00 N ATOM 603 CA LEU A 39 8.210 -9.505 3.412 1.00 0.00 C ATOM 604 C LEU A 39 6.814 -8.892 3.362 1.00 0.00 C ATOM 605 O LEU A 39 6.199 -8.639 4.398 1.00 0.00 O ATOM 606 CB LEU A 39 9.046 -8.842 4.513 1.00 0.00 C ATOM 607 CG LEU A 39 10.451 -9.426 4.706 1.00 0.00 C ATOM 608 CD1 LEU A 39 11.205 -8.635 5.767 1.00 0.00 C ATOM 609 CD2 LEU A 39 10.343 -10.892 5.104 1.00 0.00 C ATOM 0 H LEU A 39 9.327 -8.475 1.964 1.00 0.00 H new ATOM 0 HA LEU A 39 8.107 -10.566 3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.139 -7.780 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.504 -8.921 5.456 1.00 0.00 H new ATOM 0 HG LEU A 39 11.005 -9.356 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.201 -9.058 5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.290 -7.595 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.664 -8.686 6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.342 -11.306 5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.784 -10.976 6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.825 -11.445 4.320 1.00 0.00 H new ATOM 621 N ILE A 40 6.319 -8.660 2.151 1.00 0.00 N ATOM 622 CA ILE A 40 4.965 -8.153 1.965 1.00 0.00 C ATOM 623 C ILE A 40 3.941 -9.061 2.638 1.00 0.00 C ATOM 624 O ILE A 40 3.978 -10.281 2.482 1.00 0.00 O ATOM 625 CB ILE A 40 4.613 -8.016 0.472 1.00 0.00 C ATOM 626 CG1 ILE A 40 3.335 -7.191 0.298 1.00 0.00 C ATOM 627 CG2 ILE A 40 4.455 -9.388 -0.165 1.00 0.00 C ATOM 628 CD1 ILE A 40 3.046 -6.808 -1.135 1.00 0.00 C ATOM 0 H ILE A 40 6.835 -8.815 1.285 1.00 0.00 H new ATOM 0 HA ILE A 40 4.932 -7.167 2.428 1.00 0.00 H new ATOM 0 HB ILE A 40 5.429 -7.496 -0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.491 -7.759 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.415 -6.284 0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.206 -9.273 -1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.389 -9.943 -0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.657 -9.933 0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.126 -6.226 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.871 -6.212 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.933 -7.710 -1.737 1.00 0.00 H new ATOM 640 N LYS A 41 3.025 -8.456 3.387 1.00 0.00 N ATOM 641 CA LYS A 41 1.988 -9.207 4.086 1.00 0.00 C ATOM 642 C LYS A 41 0.642 -8.499 3.986 1.00 0.00 C ATOM 643 O LYS A 41 0.544 -7.402 3.436 1.00 0.00 O ATOM 644 CB LYS A 41 2.370 -9.414 5.553 1.00 0.00 C ATOM 645 CG LYS A 41 3.602 -10.284 5.766 1.00 0.00 C ATOM 646 CD LYS A 41 3.920 -10.440 7.245 1.00 0.00 C ATOM 647 CE LYS A 41 5.123 -11.346 7.461 1.00 0.00 C ATOM 648 NZ LYS A 41 5.354 -11.629 8.904 1.00 0.00 N ATOM 0 H LYS A 41 2.980 -7.446 3.526 1.00 0.00 H new ATOM 0 HA LYS A 41 1.899 -10.182 3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.544 -8.440 6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.527 -9.866 6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.438 -11.266 5.322 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.456 -9.841 5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.117 -9.461 7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.054 -10.852 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.971 -12.284 6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.011 -10.878 7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.182 -12.249 9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.524 -10.736 9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.517 -12.099 9.304 1.00 0.00 H new ATOM 662 N LYS A 42 -0.395 -9.131 4.524 1.00 0.00 N ATOM 663 CA LYS A 42 -1.705 -8.500 4.634 1.00 0.00 C ATOM 664 C LYS A 42 -1.571 -7.032 5.026 1.00 0.00 C ATOM 665 O LYS A 42 -0.869 -6.697 5.981 1.00 0.00 O ATOM 666 CB LYS A 42 -2.575 -9.242 5.649 1.00 0.00 C ATOM 667 CG LYS A 42 -2.898 -10.681 5.271 1.00 0.00 C ATOM 668 CD LYS A 42 -3.790 -11.341 6.311 1.00 0.00 C ATOM 669 CE LYS A 42 -4.022 -12.810 5.989 1.00 0.00 C ATOM 670 NZ LYS A 42 -4.930 -13.458 6.975 1.00 0.00 N ATOM 0 H LYS A 42 -0.354 -10.082 4.891 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.187 -8.551 3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.069 -9.238 6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.509 -8.695 5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.392 -10.701 4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.973 -11.249 5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.332 -11.250 7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.747 -10.821 6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.448 -12.900 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.066 -13.334 5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.062 -14.458 6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.512 -13.395 7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.851 -12.974 6.969 1.00 0.00 H new ATOM 684 N ASP A 43 -2.249 -6.162 4.286 1.00 0.00 N ATOM 685 CA ASP A 43 -2.119 -4.723 4.487 1.00 0.00 C ATOM 686 C ASP A 43 -2.849 -4.284 5.754 1.00 0.00 C ATOM 687 O ASP A 43 -2.918 -3.095 6.062 1.00 0.00 O ATOM 688 CB ASP A 43 -2.658 -3.959 3.276 1.00 0.00 C ATOM 689 CG ASP A 43 -1.766 -4.025 2.043 1.00 0.00 C ATOM 690 OD1 ASP A 43 -0.636 -4.433 2.172 1.00 0.00 O ATOM 691 OD2 ASP A 43 -2.265 -3.820 0.962 1.00 0.00 O ATOM 0 H ASP A 43 -2.894 -6.427 3.542 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.060 -4.493 4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.641 -4.355 3.020 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.797 -2.914 3.553 1.00 0.00 H new ATOM 696 N ALA A 44 -3.392 -5.254 6.482 1.00 0.00 N ATOM 697 CA ALA A 44 -4.070 -4.974 7.742 1.00 0.00 C ATOM 698 C ALA A 44 -3.082 -4.504 8.805 1.00 0.00 C ATOM 699 O ALA A 44 -3.475 -4.128 9.908 1.00 0.00 O ATOM 700 CB ALA A 44 -4.820 -6.206 8.224 1.00 0.00 C ATOM 0 H ALA A 44 -3.376 -6.240 6.221 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.787 -4.171 7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.321 -5.982 9.166 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.561 -6.496 7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.116 -7.025 8.374 1.00 0.00 H new ATOM 706 N ALA A 45 -1.797 -4.531 8.465 1.00 0.00 N ATOM 707 CA ALA A 45 -0.769 -3.949 9.318 1.00 0.00 C ATOM 708 C ALA A 45 0.387 -3.402 8.490 1.00 0.00 C ATOM 709 O ALA A 45 1.413 -4.063 8.324 1.00 0.00 O ATOM 710 CB ALA A 45 -0.265 -4.981 10.316 1.00 0.00 C ATOM 0 H ALA A 45 -1.444 -4.950 7.605 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.214 -3.118 9.865 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.503 -4.533 10.947 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.093 -5.320 10.938 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.157 -5.830 9.779 1.00 0.00 H new ATOM 716 N VAL A 46 0.215 -2.191 7.968 1.00 0.00 N ATOM 717 CA VAL A 46 1.268 -1.530 7.207 1.00 0.00 C ATOM 718 C VAL A 46 1.326 -0.041 7.527 1.00 0.00 C ATOM 719 O VAL A 46 0.363 0.536 8.031 1.00 0.00 O ATOM 720 CB VAL A 46 1.069 -1.712 5.690 1.00 0.00 C ATOM 721 CG1 VAL A 46 1.162 -3.183 5.313 1.00 0.00 C ATOM 722 CG2 VAL A 46 -0.271 -1.136 5.256 1.00 0.00 C ATOM 0 H VAL A 46 -0.644 -1.648 8.059 1.00 0.00 H new ATOM 0 HA VAL A 46 2.208 -1.998 7.499 1.00 0.00 H new ATOM 0 HB VAL A 46 1.861 -1.172 5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.019 -3.293 4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.143 -3.568 5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.390 -3.743 5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.395 -1.273 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.075 -1.649 5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.304 -0.072 5.492 1.00 0.00 H new ATOM 732 N THR A 47 2.466 0.579 7.232 1.00 0.00 N ATOM 733 CA THR A 47 2.577 2.031 7.271 1.00 0.00 C ATOM 734 C THR A 47 3.421 2.548 6.112 1.00 0.00 C ATOM 735 O THR A 47 4.386 1.906 5.698 1.00 0.00 O ATOM 736 CB THR A 47 3.192 2.515 8.597 1.00 0.00 C ATOM 737 OG1 THR A 47 3.167 3.947 8.645 1.00 0.00 O ATOM 738 CG2 THR A 47 4.629 2.033 8.727 1.00 0.00 C ATOM 0 H THR A 47 3.324 0.097 6.964 1.00 0.00 H new ATOM 0 HA THR A 47 1.565 2.427 7.186 1.00 0.00 H new ATOM 0 HB THR A 47 2.606 2.107 9.421 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.377 4.277 8.167 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.047 2.385 9.670 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.651 0.943 8.704 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.220 2.425 7.900 1.00 0.00 H new ATOM 746 N PHE A 48 3.053 3.716 5.593 1.00 0.00 N ATOM 747 CA PHE A 48 3.597 4.195 4.328 1.00 0.00 C ATOM 748 C PHE A 48 3.535 5.718 4.251 1.00 0.00 C ATOM 749 O PHE A 48 2.911 6.366 5.091 1.00 0.00 O ATOM 750 CB PHE A 48 2.841 3.575 3.151 1.00 0.00 C ATOM 751 CG PHE A 48 1.361 3.830 3.179 1.00 0.00 C ATOM 752 CD1 PHE A 48 0.834 4.999 2.652 1.00 0.00 C ATOM 753 CD2 PHE A 48 0.493 2.901 3.734 1.00 0.00 C ATOM 754 CE1 PHE A 48 -0.528 5.235 2.678 1.00 0.00 C ATOM 755 CE2 PHE A 48 -0.868 3.133 3.759 1.00 0.00 C ATOM 756 CZ PHE A 48 -1.379 4.302 3.231 1.00 0.00 C ATOM 0 H PHE A 48 2.381 4.347 6.029 1.00 0.00 H new ATOM 0 HA PHE A 48 4.642 3.891 4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.250 3.968 2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.015 2.499 3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.495 5.734 2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.886 1.986 4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.925 6.150 2.265 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.533 2.400 4.192 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.443 4.485 3.251 1.00 0.00 H new ATOM 766 N GLU A 49 4.187 6.280 3.238 1.00 0.00 N ATOM 767 CA GLU A 49 4.190 7.725 3.042 1.00 0.00 C ATOM 768 C GLU A 49 3.387 8.106 1.801 1.00 0.00 C ATOM 769 O GLU A 49 3.524 7.506 0.734 1.00 0.00 O ATOM 770 CB GLU A 49 5.623 8.250 2.927 1.00 0.00 C ATOM 771 CG GLU A 49 5.725 9.750 2.687 1.00 0.00 C ATOM 772 CD GLU A 49 7.159 10.187 2.576 1.00 0.00 C ATOM 773 OE1 GLU A 49 8.025 9.349 2.659 1.00 0.00 O ATOM 774 OE2 GLU A 49 7.387 11.341 2.295 1.00 0.00 O ATOM 0 H GLU A 49 4.719 5.758 2.542 1.00 0.00 H new ATOM 0 HA GLU A 49 3.719 8.184 3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.162 8.003 3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.124 7.729 2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.191 10.012 1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.241 10.285 3.504 1.00 0.00 H new ATOM 781 N PRO A 50 2.530 9.128 1.941 1.00 0.00 N ATOM 782 CA PRO A 50 1.670 9.595 0.850 1.00 0.00 C ATOM 783 C PRO A 50 2.458 10.303 -0.247 1.00 0.00 C ATOM 784 O PRO A 50 3.390 11.058 0.030 1.00 0.00 O ATOM 785 CB PRO A 50 0.682 10.541 1.540 1.00 0.00 C ATOM 786 CG PRO A 50 1.412 11.029 2.744 1.00 0.00 C ATOM 787 CD PRO A 50 2.243 9.862 3.207 1.00 0.00 C ATOM 0 HA PRO A 50 1.175 8.771 0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.399 11.366 0.886 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.237 10.023 1.816 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.039 11.887 2.502 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.718 11.350 3.521 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.159 10.189 3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.702 9.240 3.920 1.00 0.00 H new ATOM 795 N THR A 51 2.078 10.054 -1.496 1.00 0.00 N ATOM 796 CA THR A 51 2.726 10.694 -2.633 1.00 0.00 C ATOM 797 C THR A 51 1.709 11.069 -3.707 1.00 0.00 C ATOM 798 O THR A 51 0.587 10.562 -3.717 1.00 0.00 O ATOM 799 CB THR A 51 3.804 9.787 -3.255 1.00 0.00 C ATOM 800 OG1 THR A 51 3.205 8.557 -3.688 1.00 0.00 O ATOM 801 CG2 THR A 51 4.896 9.484 -2.241 1.00 0.00 C ATOM 0 H THR A 51 1.324 9.413 -1.746 1.00 0.00 H new ATOM 0 HA THR A 51 3.202 11.599 -2.255 1.00 0.00 H new ATOM 0 HB THR A 51 4.246 10.305 -4.106 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.830 8.076 -4.270 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.649 8.842 -2.698 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.361 10.415 -1.918 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.462 8.977 -1.379 1.00 0.00 H new ATOM 809 N THR A 52 2.108 11.960 -4.608 1.00 0.00 N ATOM 810 CA THR A 52 1.220 12.429 -5.664 1.00 0.00 C ATOM 811 C THR A 52 1.869 12.279 -7.036 1.00 0.00 C ATOM 812 O THR A 52 3.002 12.708 -7.247 1.00 0.00 O ATOM 813 CB THR A 52 0.821 13.901 -5.454 1.00 0.00 C ATOM 814 OG1 THR A 52 0.159 14.044 -4.191 1.00 0.00 O ATOM 815 CG2 THR A 52 -0.107 14.367 -6.564 1.00 0.00 C ATOM 0 H THR A 52 3.041 12.372 -4.628 1.00 0.00 H new ATOM 0 HA THR A 52 0.324 11.810 -5.619 1.00 0.00 H new ATOM 0 HB THR A 52 1.724 14.511 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.093 14.982 -4.058 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.378 15.410 -6.398 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.399 14.272 -7.525 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.008 13.754 -6.566 1.00 0.00 H new ATOM 823 N ASN A 53 1.141 11.668 -7.966 1.00 0.00 N ATOM 824 CA ASN A 53 1.605 11.551 -9.344 1.00 0.00 C ATOM 825 C ASN A 53 0.625 12.215 -10.305 1.00 0.00 C ATOM 826 O ASN A 53 -0.402 11.636 -10.658 1.00 0.00 O ATOM 827 CB ASN A 53 1.827 10.100 -9.734 1.00 0.00 C ATOM 828 CG ASN A 53 2.418 9.927 -11.105 1.00 0.00 C ATOM 829 OD1 ASN A 53 2.331 10.818 -11.958 1.00 0.00 O ATOM 830 ND2 ASN A 53 2.945 8.755 -11.348 1.00 0.00 N ATOM 0 H ASN A 53 0.229 11.247 -7.791 1.00 0.00 H new ATOM 0 HA ASN A 53 2.562 12.068 -9.412 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.486 9.633 -9.002 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.875 9.571 -9.689 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.308 8.542 -12.277 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.993 8.054 -10.609 1.00 0.00 H new ATOM 837 N ASN A 54 0.949 13.433 -10.725 1.00 0.00 N ATOM 838 CA ASN A 54 0.036 14.232 -11.534 1.00 0.00 C ATOM 839 C ASN A 54 -1.270 14.486 -10.789 1.00 0.00 C ATOM 840 O ASN A 54 -1.278 15.078 -9.709 1.00 0.00 O ATOM 841 CB ASN A 54 -0.240 13.576 -12.874 1.00 0.00 C ATOM 842 CG ASN A 54 0.976 13.455 -13.751 1.00 0.00 C ATOM 843 OD1 ASN A 54 1.912 14.257 -13.663 1.00 0.00 O ATOM 844 ND2 ASN A 54 0.931 12.506 -14.650 1.00 0.00 N ATOM 0 H ASN A 54 1.838 13.889 -10.518 1.00 0.00 H new ATOM 0 HA ASN A 54 0.521 15.190 -11.723 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.654 12.582 -12.703 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.001 14.152 -13.401 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.692 12.403 -15.321 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.135 11.869 -14.680 1.00 0.00 H new ATOM 851 N LYS A 55 -2.376 14.033 -11.371 1.00 0.00 N ATOM 852 CA LYS A 55 -3.684 14.164 -10.741 1.00 0.00 C ATOM 853 C LYS A 55 -4.061 12.885 -10.000 1.00 0.00 C ATOM 854 O LYS A 55 -5.166 12.764 -9.473 1.00 0.00 O ATOM 855 CB LYS A 55 -4.749 14.507 -11.783 1.00 0.00 C ATOM 856 CG LYS A 55 -4.544 15.847 -12.475 1.00 0.00 C ATOM 857 CD LYS A 55 -5.664 16.136 -13.463 1.00 0.00 C ATOM 858 CE LYS A 55 -5.435 17.454 -14.192 1.00 0.00 C ATOM 859 NZ LYS A 55 -6.537 17.762 -15.142 1.00 0.00 N ATOM 0 H LYS A 55 -2.392 13.571 -12.280 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.630 14.976 -10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.767 13.721 -12.538 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.726 14.507 -11.300 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.500 16.641 -11.729 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.587 15.847 -12.997 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.731 15.324 -14.188 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.617 16.171 -12.935 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.347 18.261 -13.464 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.490 17.410 -14.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.343 18.666 -15.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.605 17.005 -15.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.435 17.830 -14.622 1.00 0.00 H new ATOM 873 N GLY A 56 -3.135 11.931 -9.965 1.00 0.00 N ATOM 874 CA GLY A 56 -3.410 10.653 -9.333 1.00 0.00 C ATOM 875 C GLY A 56 -2.709 10.505 -7.997 1.00 0.00 C ATOM 876 O GLY A 56 -1.542 10.870 -7.857 1.00 0.00 O ATOM 0 H GLY A 56 -2.200 12.020 -10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.485 10.546 -9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.095 9.848 -9.996 1.00 0.00 H new ATOM 880 N LEU A 57 -3.424 9.970 -7.013 1.00 0.00 N ATOM 881 CA LEU A 57 -2.849 9.731 -5.693 1.00 0.00 C ATOM 882 C LEU A 57 -2.106 8.399 -5.657 1.00 0.00 C ATOM 883 O LEU A 57 -2.547 7.414 -6.250 1.00 0.00 O ATOM 884 CB LEU A 57 -3.947 9.760 -4.622 1.00 0.00 C ATOM 885 CG LEU A 57 -4.676 11.102 -4.473 1.00 0.00 C ATOM 886 CD1 LEU A 57 -5.779 10.983 -3.428 1.00 0.00 C ATOM 887 CD2 LEU A 57 -3.680 12.184 -4.084 1.00 0.00 C ATOM 0 H LEU A 57 -4.402 9.694 -7.104 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.133 10.525 -5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.681 8.989 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.503 9.497 -3.662 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.134 11.374 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.291 11.940 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.493 10.220 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.343 10.704 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.200 13.136 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.209 11.921 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.917 12.271 -4.857 1.00 0.00 H new ATOM 899 N SER A 58 -0.978 8.375 -4.956 1.00 0.00 N ATOM 900 CA SER A 58 -0.213 7.148 -4.779 1.00 0.00 C ATOM 901 C SER A 58 0.483 7.132 -3.420 1.00 0.00 C ATOM 902 O SER A 58 0.424 8.105 -2.670 1.00 0.00 O ATOM 903 CB SER A 58 0.800 6.996 -5.897 1.00 0.00 C ATOM 904 OG SER A 58 1.695 8.073 -5.945 1.00 0.00 O ATOM 0 H SER A 58 -0.573 9.193 -4.501 1.00 0.00 H new ATOM 0 HA SER A 58 -0.903 6.305 -4.815 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.356 6.069 -5.759 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.278 6.916 -6.851 1.00 0.00 H new ATOM 0 HG SER A 58 2.191 8.124 -5.101 1.00 0.00 H new ATOM 910 N ALA A 59 1.140 6.019 -3.113 1.00 0.00 N ATOM 911 CA ALA A 59 1.852 5.876 -1.848 1.00 0.00 C ATOM 912 C ALA A 59 3.075 4.979 -2.004 1.00 0.00 C ATOM 913 O ALA A 59 3.044 3.993 -2.742 1.00 0.00 O ATOM 914 CB ALA A 59 0.923 5.323 -0.778 1.00 0.00 C ATOM 0 H ALA A 59 1.194 5.203 -3.722 1.00 0.00 H new ATOM 0 HA ALA A 59 2.195 6.864 -1.540 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.468 5.222 0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.083 6.004 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.551 4.347 -1.088 1.00 0.00 H new ATOM 920 N TYR A 60 4.151 5.327 -1.308 1.00 0.00 N ATOM 921 CA TYR A 60 5.393 4.568 -1.388 1.00 0.00 C ATOM 922 C TYR A 60 6.046 4.443 -0.016 1.00 0.00 C ATOM 923 O TYR A 60 5.566 5.011 0.967 1.00 0.00 O ATOM 924 CB TYR A 60 6.360 5.227 -2.375 1.00 0.00 C ATOM 925 CG TYR A 60 5.893 5.184 -3.813 1.00 0.00 C ATOM 926 CD1 TYR A 60 6.132 4.070 -4.605 1.00 0.00 C ATOM 927 CD2 TYR A 60 5.218 6.257 -4.376 1.00 0.00 C ATOM 928 CE1 TYR A 60 5.708 4.026 -5.918 1.00 0.00 C ATOM 929 CE2 TYR A 60 4.789 6.223 -5.688 1.00 0.00 C ATOM 930 CZ TYR A 60 5.037 5.104 -6.457 1.00 0.00 C ATOM 931 OH TYR A 60 4.614 5.064 -7.765 1.00 0.00 O ATOM 0 H TYR A 60 4.188 6.131 -0.681 1.00 0.00 H new ATOM 0 HA TYR A 60 5.153 3.566 -1.745 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.509 6.266 -2.083 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.329 4.733 -2.303 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.658 3.224 -4.188 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.024 7.135 -3.777 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.901 3.151 -6.521 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.263 7.067 -6.110 1.00 0.00 H new ATOM 0 HH TYR A 60 4.157 5.902 -7.987 1.00 0.00 H new ATOM 941 N ALA A 61 7.143 3.697 0.045 1.00 0.00 N ATOM 942 CA ALA A 61 7.767 3.359 1.318 1.00 0.00 C ATOM 943 C ALA A 61 6.802 2.590 2.215 1.00 0.00 C ATOM 944 O ALA A 61 6.558 2.977 3.358 1.00 0.00 O ATOM 945 CB ALA A 61 8.254 4.616 2.020 1.00 0.00 C ATOM 0 H ALA A 61 7.618 3.315 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 61 8.624 2.717 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.717 4.346 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.985 5.124 1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.410 5.280 2.204 1.00 0.00 H new ATOM 951 N VAL A 62 6.254 1.499 1.690 1.00 0.00 N ATOM 952 CA VAL A 62 5.243 0.730 2.406 1.00 0.00 C ATOM 953 C VAL A 62 5.880 -0.385 3.227 1.00 0.00 C ATOM 954 O VAL A 62 6.316 -1.401 2.685 1.00 0.00 O ATOM 955 CB VAL A 62 4.208 0.118 1.442 1.00 0.00 C ATOM 956 CG1 VAL A 62 3.136 -0.632 2.218 1.00 0.00 C ATOM 957 CG2 VAL A 62 3.580 1.201 0.578 1.00 0.00 C ATOM 0 H VAL A 62 6.493 1.127 0.771 1.00 0.00 H new ATOM 0 HA VAL A 62 4.735 1.425 3.074 1.00 0.00 H new ATOM 0 HB VAL A 62 4.720 -0.590 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.413 -1.058 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.598 -1.432 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.627 0.056 2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.852 0.751 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.082 1.931 1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.356 1.697 -0.005 1.00 0.00 H new ATOM 967 N LYS A 63 5.930 -0.189 4.541 1.00 0.00 N ATOM 968 CA LYS A 63 6.567 -1.151 5.434 1.00 0.00 C ATOM 969 C LYS A 63 5.522 -1.953 6.203 1.00 0.00 C ATOM 970 O LYS A 63 4.540 -1.399 6.698 1.00 0.00 O ATOM 971 CB LYS A 63 7.507 -0.438 6.407 1.00 0.00 C ATOM 972 CG LYS A 63 8.704 0.234 5.747 1.00 0.00 C ATOM 973 CD LYS A 63 9.573 0.948 6.773 1.00 0.00 C ATOM 974 CE LYS A 63 10.751 1.647 6.110 1.00 0.00 C ATOM 975 NZ LYS A 63 11.616 2.340 7.102 1.00 0.00 N ATOM 0 H LYS A 63 5.537 0.627 5.011 1.00 0.00 H new ATOM 0 HA LYS A 63 7.151 -1.842 4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.940 0.314 6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.869 -1.160 7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.298 -0.513 5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.357 0.949 5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.973 1.678 7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.940 0.229 7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.344 0.916 5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.381 2.370 5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.199 3.052 6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.021 2.808 7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.234 1.646 7.569 1.00 0.00 H new ATOM 989 N VAL A 64 5.741 -3.259 6.302 1.00 0.00 N ATOM 990 CA VAL A 64 4.846 -4.131 7.054 1.00 0.00 C ATOM 991 C VAL A 64 5.213 -4.150 8.532 1.00 0.00 C ATOM 992 O VAL A 64 6.357 -4.427 8.896 1.00 0.00 O ATOM 993 CB VAL A 64 4.868 -5.571 6.509 1.00 0.00 C ATOM 994 CG1 VAL A 64 3.987 -6.475 7.359 1.00 0.00 C ATOM 995 CG2 VAL A 64 4.414 -5.600 5.058 1.00 0.00 C ATOM 0 H VAL A 64 6.531 -3.738 5.871 1.00 0.00 H new ATOM 0 HA VAL A 64 3.841 -3.726 6.937 1.00 0.00 H new ATOM 0 HB VAL A 64 5.892 -5.941 6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.014 -7.489 6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.353 -6.479 8.386 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.962 -6.105 7.341 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.436 -6.626 4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.398 -5.211 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.082 -4.984 4.455 1.00 0.00 H new ATOM 1005 N VAL A 65 4.236 -3.854 9.384 1.00 0.00 N ATOM 1006 CA VAL A 65 4.498 -3.627 10.800 1.00 0.00 C ATOM 1007 C VAL A 65 3.757 -4.642 11.665 1.00 0.00 C ATOM 1008 O VAL A 65 2.667 -5.106 11.326 1.00 0.00 O ATOM 1009 CB VAL A 65 4.093 -2.205 11.229 1.00 0.00 C ATOM 1010 CG1 VAL A 65 4.930 -1.169 10.495 1.00 0.00 C ATOM 1011 CG2 VAL A 65 2.612 -1.972 10.970 1.00 0.00 C ATOM 0 H VAL A 65 3.255 -3.766 9.118 1.00 0.00 H new ATOM 0 HA VAL A 65 5.572 -3.746 10.945 1.00 0.00 H new ATOM 0 HB VAL A 65 4.277 -2.103 12.299 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.630 -0.170 10.810 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.984 -1.322 10.727 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.776 -1.272 9.421 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.343 -0.962 11.279 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.405 -2.093 9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.025 -2.694 11.538 1.00 0.00 H new ATOM 1021 N PRO A 66 4.358 -4.992 12.811 1.00 0.00 N ATOM 1022 CA PRO A 66 3.745 -5.912 13.776 1.00 0.00 C ATOM 1023 C PRO A 66 2.610 -5.260 14.557 1.00 0.00 C ATOM 1024 O PRO A 66 2.592 -4.043 14.749 1.00 0.00 O ATOM 1025 CB PRO A 66 4.908 -6.313 14.690 1.00 0.00 C ATOM 1026 CG PRO A 66 5.816 -5.131 14.678 1.00 0.00 C ATOM 1027 CD PRO A 66 5.721 -4.569 13.285 1.00 0.00 C ATOM 0 HA PRO A 66 3.279 -6.768 13.289 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.561 -6.537 15.699 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.413 -7.206 14.321 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.511 -4.394 15.421 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.840 -5.419 14.916 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.824 -3.484 13.285 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.507 -4.964 12.641 1.00 0.00 H new ATOM 1035 N LEU A 67 1.662 -6.077 15.006 1.00 0.00 N ATOM 1036 CA LEU A 67 0.556 -5.589 15.823 1.00 0.00 C ATOM 1037 C LEU A 67 0.748 -5.979 17.285 1.00 0.00 C ATOM 1038 O LEU A 67 -0.125 -5.740 18.120 1.00 0.00 O ATOM 1039 CB LEU A 67 -0.776 -6.133 15.293 1.00 0.00 C ATOM 1040 CG LEU A 67 -1.130 -5.712 13.862 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -2.419 -6.395 13.421 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -1.273 -4.199 13.798 1.00 0.00 C ATOM 0 H LEU A 67 1.637 -7.079 14.818 1.00 0.00 H new ATOM 0 HA LEU A 67 0.539 -4.501 15.762 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.749 -7.222 15.338 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.574 -5.806 15.959 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.333 -6.018 13.185 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.663 -6.090 12.403 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.287 -7.477 13.454 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.230 -6.108 14.090 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.525 -3.900 12.780 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.064 -3.879 14.476 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.333 -3.732 14.091 1.00 0.00 H new ATOM 1054 N GLU A 68 1.897 -6.575 17.589 1.00 0.00 N ATOM 1055 CA GLU A 68 2.201 -6.997 18.950 1.00 0.00 C ATOM 1056 C GLU A 68 3.709 -7.093 19.167 1.00 0.00 C ATOM 1057 O GLU A 68 4.479 -7.195 18.211 1.00 0.00 O ATOM 1058 CB GLU A 68 1.537 -8.341 19.257 1.00 0.00 C ATOM 1059 CG GLU A 68 2.039 -9.499 18.407 1.00 0.00 C ATOM 1060 CD GLU A 68 1.287 -10.766 18.710 1.00 0.00 C ATOM 1061 OE1 GLU A 68 0.430 -10.736 19.560 1.00 0.00 O ATOM 1062 OE2 GLU A 68 1.491 -11.734 18.016 1.00 0.00 O ATOM 0 H GLU A 68 2.632 -6.776 16.911 1.00 0.00 H new ATOM 0 HA GLU A 68 1.803 -6.246 19.632 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.699 -8.581 20.308 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.461 -8.242 19.115 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.929 -9.252 17.351 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.103 -9.652 18.589 1.00 0.00 H new ATOM 1069 N HIS A 69 4.123 -7.058 20.429 1.00 0.00 N ATOM 1070 CA HIS A 69 5.536 -7.176 20.773 1.00 0.00 C ATOM 1071 C HIS A 69 6.043 -8.591 20.510 1.00 0.00 C ATOM 1072 O HIS A 69 5.378 -9.571 20.845 1.00 0.00 O ATOM 1073 CB HIS A 69 5.770 -6.796 22.239 1.00 0.00 C ATOM 1074 CG HIS A 69 7.216 -6.638 22.595 1.00 0.00 C ATOM 1075 ND1 HIS A 69 8.044 -7.713 22.842 1.00 0.00 N ATOM 1076 CD2 HIS A 69 7.981 -5.531 22.747 1.00 0.00 C ATOM 1077 CE1 HIS A 69 9.256 -7.274 23.129 1.00 0.00 C ATOM 1078 NE2 HIS A 69 9.244 -5.954 23.079 1.00 0.00 N ATOM 0 H HIS A 69 3.501 -6.949 21.230 1.00 0.00 H new ATOM 0 HA HIS A 69 6.094 -6.486 20.140 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.248 -5.863 22.451 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.329 -7.560 22.878 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.658 -4.507 22.629 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.112 -7.890 23.365 1.00 0.00 H new ATOM 0 HE2 HIS A 69 10.044 -5.347 23.258 1.00 0.00 H new ATOM 1085 N HIS A 70 7.223 -8.689 19.906 1.00 0.00 N ATOM 1086 CA HIS A 70 7.835 -9.982 19.627 1.00 0.00 C ATOM 1087 C HIS A 70 9.193 -10.099 20.312 1.00 0.00 C ATOM 1088 O HIS A 70 9.860 -9.096 20.568 1.00 0.00 O ATOM 1089 CB HIS A 70 7.986 -10.197 18.118 1.00 0.00 C ATOM 1090 CG HIS A 70 6.683 -10.217 17.380 1.00 0.00 C ATOM 1091 ND1 HIS A 70 5.846 -11.312 17.380 1.00 0.00 N ATOM 1092 CD2 HIS A 70 6.075 -9.277 16.618 1.00 0.00 C ATOM 1093 CE1 HIS A 70 4.777 -11.044 16.650 1.00 0.00 C ATOM 1094 NE2 HIS A 70 4.892 -9.817 16.177 1.00 0.00 N ATOM 0 H HIS A 70 7.774 -7.887 19.600 1.00 0.00 H new ATOM 0 HA HIS A 70 7.178 -10.756 20.025 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.614 -9.406 17.708 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.506 -11.139 17.944 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.450 -8.288 16.398 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.950 -11.715 16.471 1.00 0.00 H new ATOM 0 HE2 HIS A 70 4.212 -9.346 15.580 1.00 0.00 H new ATOM 1101 N HIS A 71 9.598 -11.331 20.607 1.00 0.00 N ATOM 1102 CA HIS A 71 10.857 -11.576 21.300 1.00 0.00 C ATOM 1103 C HIS A 71 11.813 -12.379 20.423 1.00 0.00 C ATOM 1104 O HIS A 71 11.391 -13.243 19.655 1.00 0.00 O ATOM 1105 CB HIS A 71 10.615 -12.311 22.623 1.00 0.00 C ATOM 1106 CG HIS A 71 9.760 -11.548 23.587 1.00 0.00 C ATOM 1107 ND1 HIS A 71 10.277 -10.622 24.468 1.00 0.00 N ATOM 1108 CD2 HIS A 71 8.425 -11.574 23.808 1.00 0.00 C ATOM 1109 CE1 HIS A 71 9.296 -10.110 25.191 1.00 0.00 C ATOM 1110 NE2 HIS A 71 8.163 -10.671 24.810 1.00 0.00 N ATOM 0 H HIS A 71 9.072 -12.174 20.377 1.00 0.00 H new ATOM 0 HA HIS A 71 11.313 -10.610 21.516 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.144 -13.271 22.414 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.576 -12.523 23.092 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.702 -12.189 23.293 1.00 0.00 H new ATOM 0 HE1 HIS A 71 9.403 -9.361 25.962 1.00 0.00 H new ATOM 0 HE2 HIS A 71 7.242 -10.467 25.197 1.00 0.00 H new ATOM 1117 N HIS A 72 13.104 -12.086 20.541 1.00 0.00 N ATOM 1118 CA HIS A 72 14.118 -12.751 19.730 1.00 0.00 C ATOM 1119 C HIS A 72 15.310 -13.170 20.586 1.00 0.00 C ATOM 1120 O HIS A 72 15.590 -12.559 21.619 1.00 0.00 O ATOM 1121 CB HIS A 72 14.583 -11.841 18.589 1.00 0.00 C ATOM 1122 CG HIS A 72 13.490 -11.462 17.639 1.00 0.00 C ATOM 1123 ND1 HIS A 72 13.031 -12.312 16.656 1.00 0.00 N ATOM 1124 CD2 HIS A 72 12.767 -10.323 17.520 1.00 0.00 C ATOM 1125 CE1 HIS A 72 12.070 -11.713 15.973 1.00 0.00 C ATOM 1126 NE2 HIS A 72 11.892 -10.505 16.478 1.00 0.00 N ATOM 0 H HIS A 72 13.473 -11.392 21.191 1.00 0.00 H new ATOM 0 HA HIS A 72 13.668 -13.646 19.301 1.00 0.00 H new ATOM 0 HB2 HIS A 72 15.015 -10.934 19.012 1.00 0.00 H new ATOM 0 HB3 HIS A 72 15.376 -12.344 18.035 1.00 0.00 H new ATOM 0 HD2 HIS A 72 12.861 -9.437 18.131 1.00 0.00 H new ATOM 0 HE1 HIS A 72 11.524 -12.138 15.144 1.00 0.00 H new ATOM 0 HE2 HIS A 72 11.214 -9.819 16.147 1.00 0.00 H new ATOM 1133 N HIS A 73 16.006 -14.216 20.151 1.00 0.00 N ATOM 1134 CA HIS A 73 17.163 -14.721 20.882 1.00 0.00 C ATOM 1135 C HIS A 73 18.436 -14.002 20.448 1.00 0.00 C ATOM 1136 O HIS A 73 18.555 -13.565 19.302 1.00 0.00 O ATOM 1137 CB HIS A 73 17.315 -16.232 20.679 1.00 0.00 C ATOM 1138 CG HIS A 73 16.179 -17.032 21.236 1.00 0.00 C ATOM 1139 ND1 HIS A 73 16.077 -17.342 22.576 1.00 0.00 N ATOM 1140 CD2 HIS A 73 15.100 -17.587 20.637 1.00 0.00 C ATOM 1141 CE1 HIS A 73 14.979 -18.052 22.777 1.00 0.00 C ATOM 1142 NE2 HIS A 73 14.370 -18.214 21.617 1.00 0.00 N ATOM 0 H HIS A 73 15.789 -14.730 19.297 1.00 0.00 H new ATOM 0 HA HIS A 73 17.000 -14.526 21.942 1.00 0.00 H new ATOM 0 HB2 HIS A 73 17.405 -16.439 19.613 1.00 0.00 H new ATOM 0 HB3 HIS A 73 18.243 -16.561 21.147 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.858 -17.545 19.585 1.00 0.00 H new ATOM 0 HE1 HIS A 73 14.639 -18.434 23.728 1.00 0.00 H new ATOM 0 HE2 HIS A 73 13.498 -18.723 21.472 1.00 0.00 H new ATOM 1149 N HIS A 74 19.386 -13.883 21.371 1.00 0.00 N ATOM 1150 CA HIS A 74 20.649 -13.210 21.085 1.00 0.00 C ATOM 1151 C HIS A 74 21.698 -13.556 22.136 1.00 0.00 C ATOM 1152 O HIS A 74 21.411 -14.345 23.036 1.00 0.00 O ATOM 1153 CB HIS A 74 20.453 -11.691 21.017 1.00 0.00 C ATOM 1154 CG HIS A 74 21.695 -10.941 20.649 1.00 0.00 C ATOM 1155 ND1 HIS A 74 22.232 -10.968 19.379 1.00 0.00 N ATOM 1156 CD2 HIS A 74 22.507 -10.144 21.383 1.00 0.00 C ATOM 1157 CE1 HIS A 74 23.320 -10.218 19.348 1.00 0.00 C ATOM 1158 NE2 HIS A 74 23.507 -9.708 20.551 1.00 0.00 N ATOM 1159 OXT HIS A 74 22.790 -13.061 22.082 1.00 0.00 O ATOM 0 H HIS A 74 19.305 -14.243 22.322 1.00 0.00 H new ATOM 0 HA HIS A 74 21.001 -13.559 20.114 1.00 0.00 H new ATOM 0 HB2 HIS A 74 19.674 -11.466 20.289 1.00 0.00 H new ATOM 0 HB3 HIS A 74 20.097 -11.336 21.984 1.00 0.00 H new ATOM 0 HD2 HIS A 74 22.389 -9.898 22.428 1.00 0.00 H new ATOM 0 HE1 HIS A 74 23.949 -10.051 18.486 1.00 0.00 H new ATOM 0 HE2 HIS A 74 24.272 -9.089 20.819 1.00 0.00 H new TER 1166 HIS A 74