USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 82:sc= 1.15 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -165:sc= 1.22 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 158:sc= -0.0275 (180deg=-0.256) USER MOD Single : A 52 ASN : amide:sc= -1.01 K(o=-1,f=-2.4!) USER MOD Single : A 55 LYS NZ :NH3+ 146:sc= 0.334 (180deg=0.0225) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 172:sc= 0.732 USER MOD Single : A 62 MET CE :methyl -160:sc= 0 (180deg=-0.0909) USER MOD Single : A 64 GLN : amide:sc= -1.5 K(o=-1.5,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.518 -11.658 12.232 1.00 13.00 N ATOM 2 CA GLY A 1 19.668 -12.189 11.450 1.00 45.03 C ATOM 3 C GLY A 1 19.857 -11.466 10.131 1.00 41.03 C ATOM 4 O GLY A 1 18.885 -11.153 9.443 1.00 70.10 O ATOM 0 H1 GLY A 1 18.432 -12.185 13.124 1.00 13.00 H new ATOM 0 H2 GLY A 1 18.674 -10.651 12.439 1.00 13.00 H new ATOM 0 H3 GLY A 1 17.643 -11.766 11.680 1.00 13.00 H new ATOM 0 HA2 GLY A 1 20.578 -12.100 12.043 1.00 45.03 H new ATOM 0 HA3 GLY A 1 19.514 -13.251 11.260 1.00 45.03 H new ATOM 10 N SER A 2 21.110 -11.201 9.776 1.00 61.55 N ATOM 11 CA SER A 2 21.422 -10.512 8.531 1.00 62.34 C ATOM 12 C SER A 2 21.206 -11.427 7.331 1.00 72.15 C ATOM 13 O SER A 2 21.025 -12.635 7.485 1.00 23.13 O ATOM 14 CB SER A 2 22.867 -10.010 8.550 1.00 41.51 C ATOM 15 OG SER A 2 22.941 -8.683 9.043 1.00 63.13 O ATOM 0 H SER A 2 21.926 -11.454 10.334 1.00 61.55 H new ATOM 0 HA SER A 2 20.749 -9.660 8.440 1.00 62.34 H new ATOM 0 HB2 SER A 2 23.475 -10.667 9.172 1.00 41.51 H new ATOM 0 HB3 SER A 2 23.282 -10.051 7.543 1.00 41.51 H new ATOM 0 HG SER A 2 23.875 -8.387 9.046 1.00 63.13 H new ATOM 21 N GLY A 3 21.225 -10.846 6.137 1.00 5.02 N ATOM 22 CA GLY A 3 21.030 -11.624 4.929 1.00 31.33 C ATOM 23 C GLY A 3 19.684 -12.323 4.902 1.00 14.51 C ATOM 24 O GLY A 3 19.616 -13.549 4.817 1.00 12.24 O ATOM 0 H GLY A 3 21.372 -9.848 5.984 1.00 5.02 H new ATOM 0 HA2 GLY A 3 21.114 -10.970 4.061 1.00 31.33 H new ATOM 0 HA3 GLY A 3 21.824 -12.367 4.846 1.00 31.33 H new ATOM 28 N MET A 4 18.612 -11.541 4.973 1.00 51.55 N ATOM 29 CA MET A 4 17.262 -12.092 4.957 1.00 51.14 C ATOM 30 C MET A 4 16.365 -11.304 4.008 1.00 52.23 C ATOM 31 O MET A 4 16.332 -10.074 4.045 1.00 50.10 O ATOM 32 CB MET A 4 16.667 -12.082 6.365 1.00 11.03 C ATOM 33 CG MET A 4 16.949 -13.351 7.153 1.00 1.15 C ATOM 34 SD MET A 4 15.904 -14.730 6.645 1.00 64.35 S ATOM 35 CE MET A 4 14.582 -14.616 7.848 1.00 33.40 C ATOM 0 H MET A 4 18.652 -10.524 5.042 1.00 51.55 H new ATOM 0 HA MET A 4 17.321 -13.121 4.603 1.00 51.14 H new ATOM 0 HB2 MET A 4 17.065 -11.228 6.913 1.00 11.03 H new ATOM 0 HB3 MET A 4 15.589 -11.940 6.294 1.00 11.03 H new ATOM 0 HG2 MET A 4 17.996 -13.628 7.027 1.00 1.15 H new ATOM 0 HG3 MET A 4 16.797 -13.156 8.215 1.00 1.15 H new ATOM 0 HE1 MET A 4 13.854 -15.406 7.664 1.00 33.40 H new ATOM 0 HE2 MET A 4 14.993 -14.728 8.852 1.00 33.40 H new ATOM 0 HE3 MET A 4 14.094 -13.645 7.761 1.00 33.40 H new ATOM 45 N LYS A 5 15.636 -12.022 3.158 1.00 31.03 N ATOM 46 CA LYS A 5 14.738 -11.390 2.199 1.00 2.22 C ATOM 47 C LYS A 5 13.485 -10.865 2.892 1.00 51.41 C ATOM 48 O LYS A 5 12.983 -11.478 3.835 1.00 72.14 O ATOM 49 CB LYS A 5 14.349 -12.383 1.101 1.00 15.00 C ATOM 50 CG LYS A 5 15.526 -13.173 0.552 1.00 33.32 C ATOM 51 CD LYS A 5 15.101 -14.084 -0.589 1.00 71.24 C ATOM 52 CE LYS A 5 15.967 -15.332 -0.656 1.00 11.02 C ATOM 53 NZ LYS A 5 15.318 -16.495 0.011 1.00 64.20 N ATOM 0 H LYS A 5 15.650 -13.041 3.115 1.00 31.03 H new ATOM 0 HA LYS A 5 15.263 -10.548 1.748 1.00 2.22 H new ATOM 0 HB2 LYS A 5 13.608 -13.078 1.497 1.00 15.00 H new ATOM 0 HB3 LYS A 5 13.873 -11.841 0.284 1.00 15.00 H new ATOM 0 HG2 LYS A 5 16.296 -12.485 0.203 1.00 33.32 H new ATOM 0 HG3 LYS A 5 15.969 -13.769 1.350 1.00 33.32 H new ATOM 0 HD2 LYS A 5 14.057 -14.370 -0.458 1.00 71.24 H new ATOM 0 HD3 LYS A 5 15.167 -13.543 -1.533 1.00 71.24 H new ATOM 0 HE2 LYS A 5 16.169 -15.578 -1.698 1.00 11.02 H new ATOM 0 HE3 LYS A 5 16.929 -15.132 -0.183 1.00 11.02 H new ATOM 0 HZ1 LYS A 5 15.940 -17.326 -0.057 1.00 64.20 H new ATOM 0 HZ2 LYS A 5 15.148 -16.270 1.012 1.00 64.20 H new ATOM 0 HZ3 LYS A 5 14.412 -16.702 -0.456 1.00 64.20 H new ATOM 67 N GLU A 6 12.985 -9.728 2.420 1.00 3.51 N ATOM 68 CA GLU A 6 11.791 -9.121 2.996 1.00 50.31 C ATOM 69 C GLU A 6 10.762 -8.810 1.914 1.00 74.12 C ATOM 70 O GLU A 6 11.077 -8.175 0.908 1.00 31.42 O ATOM 71 CB GLU A 6 12.158 -7.841 3.750 1.00 21.23 C ATOM 72 CG GLU A 6 12.671 -8.090 5.159 1.00 4.32 C ATOM 73 CD GLU A 6 11.564 -8.067 6.195 1.00 5.03 C ATOM 74 OE1 GLU A 6 10.954 -9.130 6.436 1.00 64.32 O ATOM 75 OE2 GLU A 6 11.307 -6.986 6.765 1.00 25.31 O ATOM 0 H GLU A 6 13.388 -9.208 1.640 1.00 3.51 H new ATOM 0 HA GLU A 6 11.352 -9.834 3.695 1.00 50.31 H new ATOM 0 HB2 GLU A 6 12.919 -7.302 3.185 1.00 21.23 H new ATOM 0 HB3 GLU A 6 11.281 -7.195 3.800 1.00 21.23 H new ATOM 0 HG2 GLU A 6 13.175 -9.056 5.193 1.00 4.32 H new ATOM 0 HG3 GLU A 6 13.414 -7.333 5.410 1.00 4.32 H new ATOM 82 N PHE A 7 9.530 -9.259 2.130 1.00 12.34 N ATOM 83 CA PHE A 7 8.452 -9.028 1.174 1.00 72.33 C ATOM 84 C PHE A 7 7.181 -8.575 1.891 1.00 64.42 C ATOM 85 O PHE A 7 7.135 -8.538 3.121 1.00 12.34 O ATOM 86 CB PHE A 7 8.166 -10.295 0.358 1.00 10.32 C ATOM 87 CG PHE A 7 9.305 -11.276 0.327 1.00 63.12 C ATOM 88 CD1 PHE A 7 10.451 -11.005 -0.402 1.00 14.34 C ATOM 89 CD2 PHE A 7 9.227 -12.469 1.027 1.00 51.23 C ATOM 90 CE1 PHE A 7 11.498 -11.905 -0.433 1.00 1.23 C ATOM 91 CE2 PHE A 7 10.271 -13.373 1.000 1.00 21.01 C ATOM 92 CZ PHE A 7 11.409 -13.091 0.269 1.00 33.20 C ATOM 0 H PHE A 7 9.253 -9.785 2.959 1.00 12.34 H new ATOM 0 HA PHE A 7 8.773 -8.239 0.494 1.00 72.33 H new ATOM 0 HB2 PHE A 7 7.286 -10.789 0.771 1.00 10.32 H new ATOM 0 HB3 PHE A 7 7.920 -10.008 -0.664 1.00 10.32 H new ATOM 0 HD1 PHE A 7 10.527 -10.079 -0.953 1.00 14.34 H new ATOM 0 HD2 PHE A 7 8.340 -12.695 1.600 1.00 51.23 H new ATOM 0 HE1 PHE A 7 12.386 -11.682 -1.006 1.00 1.23 H new ATOM 0 HE2 PHE A 7 10.198 -14.300 1.550 1.00 21.01 H new ATOM 0 HZ PHE A 7 12.227 -13.796 0.247 1.00 33.20 H new ATOM 102 N PRO A 8 6.129 -8.228 1.131 1.00 43.45 N ATOM 103 CA PRO A 8 4.858 -7.782 1.697 1.00 73.54 C ATOM 104 C PRO A 8 3.942 -8.951 2.036 1.00 53.23 C ATOM 105 O PRO A 8 4.373 -10.104 2.049 1.00 60.40 O ATOM 106 CB PRO A 8 4.270 -6.957 0.558 1.00 63.11 C ATOM 107 CG PRO A 8 4.740 -7.650 -0.676 1.00 22.45 C ATOM 108 CD PRO A 8 6.089 -8.245 -0.345 1.00 2.34 C ATOM 0 HA PRO A 8 4.978 -7.237 2.633 1.00 73.54 H new ATOM 0 HB2 PRO A 8 3.182 -6.928 0.608 1.00 63.11 H new ATOM 0 HB3 PRO A 8 4.619 -5.925 0.593 1.00 63.11 H new ATOM 0 HG2 PRO A 8 4.037 -8.426 -0.977 1.00 22.45 H new ATOM 0 HG3 PRO A 8 4.818 -6.950 -1.508 1.00 22.45 H new ATOM 0 HD2 PRO A 8 6.186 -9.258 -0.736 1.00 2.34 H new ATOM 0 HD3 PRO A 8 6.901 -7.658 -0.774 1.00 2.34 H new ATOM 116 N CYS A 9 2.675 -8.652 2.301 1.00 73.50 N ATOM 117 CA CYS A 9 1.706 -9.690 2.628 1.00 71.31 C ATOM 118 C CYS A 9 0.793 -9.969 1.439 1.00 50.22 C ATOM 119 O CYS A 9 0.288 -11.079 1.282 1.00 63.45 O ATOM 120 CB CYS A 9 0.874 -9.291 3.853 1.00 35.35 C ATOM 121 SG CYS A 9 -0.311 -7.935 3.561 1.00 61.45 S ATOM 0 H CYS A 9 2.297 -7.705 2.296 1.00 73.50 H new ATOM 0 HA CYS A 9 2.256 -10.601 2.865 1.00 71.31 H new ATOM 0 HB2 CYS A 9 0.326 -10.165 4.203 1.00 35.35 H new ATOM 0 HB3 CYS A 9 1.551 -8.997 4.655 1.00 35.35 H new ATOM 126 N TRP A 10 0.583 -8.956 0.604 1.00 35.33 N ATOM 127 CA TRP A 10 -0.272 -9.098 -0.567 1.00 21.04 C ATOM 128 C TRP A 10 0.373 -9.999 -1.615 1.00 44.23 C ATOM 129 O TRP A 10 -0.312 -10.554 -2.474 1.00 71.43 O ATOM 130 CB TRP A 10 -0.580 -7.726 -1.171 1.00 52.13 C ATOM 131 CG TRP A 10 0.629 -6.863 -1.370 1.00 25.45 C ATOM 132 CD1 TRP A 10 1.170 -5.986 -0.475 1.00 32.30 C ATOM 133 CD2 TRP A 10 1.439 -6.785 -2.546 1.00 64.51 C ATOM 134 NE1 TRP A 10 2.267 -5.368 -1.024 1.00 32.22 N ATOM 135 CE2 TRP A 10 2.454 -5.843 -2.295 1.00 35.24 C ATOM 136 CE3 TRP A 10 1.404 -7.422 -3.785 1.00 40.54 C ATOM 137 CZ2 TRP A 10 3.425 -5.523 -3.240 1.00 5.42 C ATOM 138 CZ3 TRP A 10 2.368 -7.105 -4.725 1.00 23.13 C ATOM 139 CH2 TRP A 10 3.366 -6.164 -4.448 1.00 22.11 C ATOM 0 H TRP A 10 0.993 -8.029 0.717 1.00 35.33 H new ATOM 0 HA TRP A 10 -1.204 -9.563 -0.246 1.00 21.04 H new ATOM 0 HB2 TRP A 10 -1.076 -7.866 -2.131 1.00 52.13 H new ATOM 0 HB3 TRP A 10 -1.284 -7.204 -0.522 1.00 52.13 H new ATOM 0 HD1 TRP A 10 0.791 -5.804 0.520 1.00 32.30 H new ATOM 0 HE1 TRP A 10 2.848 -4.669 -0.561 1.00 32.22 H new ATOM 0 HE3 TRP A 10 0.638 -8.150 -4.007 1.00 40.54 H new ATOM 0 HZ2 TRP A 10 4.196 -4.797 -3.028 1.00 5.42 H new ATOM 0 HZ3 TRP A 10 2.350 -7.592 -5.689 1.00 23.13 H new ATOM 0 HH2 TRP A 10 4.105 -5.939 -5.203 1.00 22.11 H new ATOM 150 N LEU A 11 1.691 -10.142 -1.539 1.00 50.21 N ATOM 151 CA LEU A 11 2.420 -10.979 -2.481 1.00 53.45 C ATOM 152 C LEU A 11 2.291 -12.458 -2.120 1.00 25.11 C ATOM 153 O LEU A 11 2.520 -13.332 -2.956 1.00 5.44 O ATOM 154 CB LEU A 11 3.893 -10.570 -2.520 1.00 42.15 C ATOM 155 CG LEU A 11 4.200 -9.375 -3.424 1.00 3.45 C ATOM 156 CD1 LEU A 11 5.666 -8.980 -3.317 1.00 40.54 C ATOM 157 CD2 LEU A 11 3.835 -9.697 -4.866 1.00 3.13 C ATOM 0 H LEU A 11 2.275 -9.690 -0.836 1.00 50.21 H new ATOM 0 HA LEU A 11 1.984 -10.834 -3.470 1.00 53.45 H new ATOM 0 HB2 LEU A 11 4.218 -10.335 -1.506 1.00 42.15 H new ATOM 0 HB3 LEU A 11 4.484 -11.423 -2.854 1.00 42.15 H new ATOM 0 HG LEU A 11 3.597 -8.529 -3.094 1.00 3.45 H new ATOM 0 HD11 LEU A 11 5.862 -8.128 -3.968 1.00 40.54 H new ATOM 0 HD12 LEU A 11 5.896 -8.709 -2.286 1.00 40.54 H new ATOM 0 HD13 LEU A 11 6.292 -9.819 -3.620 1.00 40.54 H new ATOM 0 HD21 LEU A 11 4.059 -8.838 -5.498 1.00 3.13 H new ATOM 0 HD22 LEU A 11 4.413 -10.557 -5.204 1.00 3.13 H new ATOM 0 HD23 LEU A 11 2.771 -9.927 -4.929 1.00 3.13 H new ATOM 169 N VAL A 12 1.918 -12.732 -0.871 1.00 72.05 N ATOM 170 CA VAL A 12 1.755 -14.106 -0.407 1.00 61.41 C ATOM 171 C VAL A 12 0.380 -14.329 0.225 1.00 70.23 C ATOM 172 O VAL A 12 0.075 -15.428 0.688 1.00 21.03 O ATOM 173 CB VAL A 12 2.844 -14.486 0.617 1.00 12.31 C ATOM 174 CG1 VAL A 12 4.156 -14.793 -0.088 1.00 64.41 C ATOM 175 CG2 VAL A 12 3.027 -13.378 1.644 1.00 31.11 C ATOM 0 H VAL A 12 1.724 -12.022 -0.165 1.00 72.05 H new ATOM 0 HA VAL A 12 1.849 -14.743 -1.287 1.00 61.41 H new ATOM 0 HB VAL A 12 2.522 -15.384 1.143 1.00 12.31 H new ATOM 0 HG11 VAL A 12 4.912 -15.059 0.650 1.00 64.41 H new ATOM 0 HG12 VAL A 12 4.013 -15.626 -0.777 1.00 64.41 H new ATOM 0 HG13 VAL A 12 4.485 -13.915 -0.644 1.00 64.41 H new ATOM 0 HG21 VAL A 12 3.800 -13.666 2.357 1.00 31.11 H new ATOM 0 HG22 VAL A 12 3.324 -12.459 1.139 1.00 31.11 H new ATOM 0 HG23 VAL A 12 2.088 -13.214 2.173 1.00 31.11 H new ATOM 185 N GLU A 13 -0.447 -13.284 0.245 1.00 30.51 N ATOM 186 CA GLU A 13 -1.785 -13.376 0.823 1.00 62.23 C ATOM 187 C GLU A 13 -2.790 -12.584 -0.006 1.00 71.05 C ATOM 188 O GLU A 13 -2.423 -11.908 -0.966 1.00 13.44 O ATOM 189 CB GLU A 13 -1.791 -12.845 2.260 1.00 35.34 C ATOM 190 CG GLU A 13 -0.826 -13.562 3.190 1.00 12.21 C ATOM 191 CD GLU A 13 0.037 -12.607 3.989 1.00 22.13 C ATOM 192 OE1 GLU A 13 -0.456 -12.068 5.002 1.00 73.11 O ATOM 193 OE2 GLU A 13 1.206 -12.399 3.603 1.00 73.20 O ATOM 0 H GLU A 13 -0.213 -12.366 -0.132 1.00 30.51 H new ATOM 0 HA GLU A 13 -2.071 -14.428 0.825 1.00 62.23 H new ATOM 0 HB2 GLU A 13 -1.543 -11.784 2.245 1.00 35.34 H new ATOM 0 HB3 GLU A 13 -2.800 -12.931 2.664 1.00 35.34 H new ATOM 0 HG2 GLU A 13 -1.391 -14.194 3.875 1.00 12.21 H new ATOM 0 HG3 GLU A 13 -0.185 -14.220 2.604 1.00 12.21 H new ATOM 200 N GLU A 14 -4.057 -12.659 0.386 1.00 64.30 N ATOM 201 CA GLU A 14 -5.116 -11.933 -0.305 1.00 13.44 C ATOM 202 C GLU A 14 -5.315 -10.569 0.341 1.00 41.45 C ATOM 203 O GLU A 14 -5.599 -10.475 1.534 1.00 52.02 O ATOM 204 CB GLU A 14 -6.426 -12.722 -0.270 1.00 52.51 C ATOM 205 CG GLU A 14 -6.243 -14.227 -0.394 1.00 60.12 C ATOM 206 CD GLU A 14 -6.602 -14.965 0.880 1.00 4.11 C ATOM 207 OE1 GLU A 14 -7.590 -14.574 1.536 1.00 61.43 O ATOM 208 OE2 GLU A 14 -5.895 -15.936 1.223 1.00 13.01 O ATOM 0 H GLU A 14 -4.376 -13.216 1.179 1.00 64.30 H new ATOM 0 HA GLU A 14 -4.821 -11.800 -1.346 1.00 13.44 H new ATOM 0 HB2 GLU A 14 -6.945 -12.505 0.664 1.00 52.51 H new ATOM 0 HB3 GLU A 14 -7.069 -12.376 -1.080 1.00 52.51 H new ATOM 0 HG2 GLU A 14 -6.862 -14.598 -1.211 1.00 60.12 H new ATOM 0 HG3 GLU A 14 -5.207 -14.443 -0.655 1.00 60.12 H new ATOM 215 N PHE A 15 -5.151 -9.514 -0.446 1.00 62.02 N ATOM 216 CA PHE A 15 -5.298 -8.157 0.066 1.00 62.31 C ATOM 217 C PHE A 15 -6.586 -7.507 -0.419 1.00 64.22 C ATOM 218 O PHE A 15 -7.179 -7.929 -1.411 1.00 62.13 O ATOM 219 CB PHE A 15 -4.095 -7.303 -0.338 1.00 15.21 C ATOM 220 CG PHE A 15 -4.084 -6.916 -1.791 1.00 71.32 C ATOM 221 CD1 PHE A 15 -4.698 -5.748 -2.213 1.00 73.42 C ATOM 222 CD2 PHE A 15 -3.460 -7.719 -2.733 1.00 11.34 C ATOM 223 CE1 PHE A 15 -4.690 -5.388 -3.546 1.00 0.35 C ATOM 224 CE2 PHE A 15 -3.448 -7.363 -4.068 1.00 35.01 C ATOM 225 CZ PHE A 15 -4.064 -6.196 -4.475 1.00 31.13 C ATOM 0 H PHE A 15 -4.917 -9.570 -1.437 1.00 62.02 H new ATOM 0 HA PHE A 15 -5.346 -8.220 1.153 1.00 62.31 H new ATOM 0 HB2 PHE A 15 -4.084 -6.398 0.269 1.00 15.21 H new ATOM 0 HB3 PHE A 15 -3.180 -7.850 -0.111 1.00 15.21 H new ATOM 0 HD1 PHE A 15 -5.188 -5.112 -1.491 1.00 73.42 H new ATOM 0 HD2 PHE A 15 -2.978 -8.633 -2.420 1.00 11.34 H new ATOM 0 HE1 PHE A 15 -5.173 -4.475 -3.862 1.00 0.35 H new ATOM 0 HE2 PHE A 15 -2.958 -7.997 -4.792 1.00 35.01 H new ATOM 0 HZ PHE A 15 -4.056 -5.916 -5.518 1.00 31.13 H new ATOM 235 N VAL A 16 -7.005 -6.469 0.296 1.00 2.41 N ATOM 236 CA VAL A 16 -8.215 -5.739 -0.047 1.00 31.43 C ATOM 237 C VAL A 16 -8.001 -4.239 0.103 1.00 22.11 C ATOM 238 O VAL A 16 -7.733 -3.749 1.200 1.00 75.14 O ATOM 239 CB VAL A 16 -9.404 -6.164 0.836 1.00 42.12 C ATOM 240 CG1 VAL A 16 -10.023 -7.454 0.317 1.00 43.11 C ATOM 241 CG2 VAL A 16 -8.970 -6.317 2.286 1.00 44.24 C ATOM 0 H VAL A 16 -6.520 -6.114 1.120 1.00 2.41 H new ATOM 0 HA VAL A 16 -8.445 -5.976 -1.086 1.00 31.43 H new ATOM 0 HB VAL A 16 -10.161 -5.381 0.790 1.00 42.12 H new ATOM 0 HG11 VAL A 16 -10.861 -7.737 0.954 1.00 43.11 H new ATOM 0 HG12 VAL A 16 -10.377 -7.303 -0.703 1.00 43.11 H new ATOM 0 HG13 VAL A 16 -9.275 -8.247 0.328 1.00 43.11 H new ATOM 0 HG21 VAL A 16 -9.825 -6.617 2.892 1.00 44.24 H new ATOM 0 HG22 VAL A 16 -8.192 -7.077 2.355 1.00 44.24 H new ATOM 0 HG23 VAL A 16 -8.582 -5.366 2.652 1.00 44.24 H new ATOM 251 N VAL A 17 -8.116 -3.510 -1.003 1.00 45.11 N ATOM 252 CA VAL A 17 -7.930 -2.065 -0.980 1.00 30.33 C ATOM 253 C VAL A 17 -8.916 -1.400 -0.028 1.00 63.52 C ATOM 254 O VAL A 17 -10.040 -1.073 -0.410 1.00 3.11 O ATOM 255 CB VAL A 17 -8.095 -1.448 -2.383 1.00 32.22 C ATOM 256 CG1 VAL A 17 -7.729 0.029 -2.365 1.00 52.00 C ATOM 257 CG2 VAL A 17 -7.252 -2.203 -3.403 1.00 3.11 C ATOM 0 H VAL A 17 -8.336 -3.895 -1.922 1.00 45.11 H new ATOM 0 HA VAL A 17 -6.912 -1.886 -0.633 1.00 30.33 H new ATOM 0 HB VAL A 17 -9.141 -1.535 -2.676 1.00 32.22 H new ATOM 0 HG11 VAL A 17 -7.852 0.447 -3.364 1.00 52.00 H new ATOM 0 HG12 VAL A 17 -8.381 0.557 -1.669 1.00 52.00 H new ATOM 0 HG13 VAL A 17 -6.692 0.143 -2.049 1.00 52.00 H new ATOM 0 HG21 VAL A 17 -7.382 -1.753 -4.387 1.00 3.11 H new ATOM 0 HG22 VAL A 17 -6.202 -2.152 -3.116 1.00 3.11 H new ATOM 0 HG23 VAL A 17 -7.569 -3.245 -3.436 1.00 3.11 H new ATOM 267 N ALA A 18 -8.484 -1.194 1.212 1.00 24.25 N ATOM 268 CA ALA A 18 -9.327 -0.556 2.217 1.00 24.50 C ATOM 269 C ALA A 18 -9.208 0.960 2.129 1.00 10.51 C ATOM 270 O ALA A 18 -10.124 1.691 2.505 1.00 72.45 O ATOM 271 CB ALA A 18 -8.949 -1.041 3.608 1.00 51.34 C ATOM 0 H ALA A 18 -7.557 -1.459 1.545 1.00 24.25 H new ATOM 0 HA ALA A 18 -10.364 -0.830 2.025 1.00 24.50 H new ATOM 0 HB1 ALA A 18 -9.586 -0.557 4.348 1.00 51.34 H new ATOM 0 HB2 ALA A 18 -9.083 -2.121 3.666 1.00 51.34 H new ATOM 0 HB3 ALA A 18 -7.907 -0.793 3.809 1.00 51.34 H new ATOM 277 N GLU A 19 -8.069 1.422 1.624 1.00 44.14 N ATOM 278 CA GLU A 19 -7.816 2.848 1.476 1.00 31.20 C ATOM 279 C GLU A 19 -7.119 3.128 0.149 1.00 13.33 C ATOM 280 O GLU A 19 -5.981 2.711 -0.061 1.00 51.44 O ATOM 281 CB GLU A 19 -6.953 3.354 2.633 1.00 2.32 C ATOM 282 CG GLU A 19 -7.449 2.916 4.000 1.00 73.04 C ATOM 283 CD GLU A 19 -7.434 4.041 5.017 1.00 2.05 C ATOM 284 OE1 GLU A 19 -6.335 4.554 5.318 1.00 12.41 O ATOM 285 OE2 GLU A 19 -8.520 4.410 5.510 1.00 60.55 O ATOM 0 H GLU A 19 -7.304 0.825 1.309 1.00 44.14 H new ATOM 0 HA GLU A 19 -8.772 3.372 1.490 1.00 31.20 H new ATOM 0 HB2 GLU A 19 -5.932 2.999 2.496 1.00 2.32 H new ATOM 0 HB3 GLU A 19 -6.919 4.443 2.600 1.00 2.32 H new ATOM 0 HG2 GLU A 19 -8.464 2.530 3.907 1.00 73.04 H new ATOM 0 HG3 GLU A 19 -6.828 2.097 4.362 1.00 73.04 H new ATOM 292 N GLU A 20 -7.803 3.838 -0.744 1.00 40.43 N ATOM 293 CA GLU A 20 -7.237 4.169 -2.048 1.00 21.44 C ATOM 294 C GLU A 20 -5.832 4.738 -1.891 1.00 4.42 C ATOM 295 O GLU A 20 -5.411 5.069 -0.782 1.00 22.04 O ATOM 296 CB GLU A 20 -8.131 5.168 -2.782 1.00 70.02 C ATOM 297 CG GLU A 20 -9.499 4.610 -3.140 1.00 42.32 C ATOM 298 CD GLU A 20 -10.551 4.929 -2.096 1.00 42.34 C ATOM 299 OE1 GLU A 20 -10.650 6.108 -1.694 1.00 12.54 O ATOM 300 OE2 GLU A 20 -11.275 4.000 -1.679 1.00 64.14 O ATOM 0 H GLU A 20 -8.746 4.194 -0.589 1.00 40.43 H new ATOM 0 HA GLU A 20 -7.179 3.254 -2.638 1.00 21.44 H new ATOM 0 HB2 GLU A 20 -8.260 6.053 -2.159 1.00 70.02 H new ATOM 0 HB3 GLU A 20 -7.629 5.490 -3.694 1.00 70.02 H new ATOM 0 HG2 GLU A 20 -9.812 5.016 -4.102 1.00 42.32 H new ATOM 0 HG3 GLU A 20 -9.426 3.529 -3.259 1.00 42.32 H new ATOM 307 N CYS A 21 -5.102 4.837 -2.994 1.00 30.53 N ATOM 308 CA CYS A 21 -3.741 5.351 -2.945 1.00 64.42 C ATOM 309 C CYS A 21 -3.708 6.860 -3.156 1.00 40.01 C ATOM 310 O CYS A 21 -4.460 7.406 -3.964 1.00 62.45 O ATOM 311 CB CYS A 21 -2.855 4.644 -3.973 1.00 45.44 C ATOM 312 SG CYS A 21 -3.318 4.935 -5.708 1.00 71.30 S ATOM 0 H CYS A 21 -5.425 4.571 -3.924 1.00 30.53 H new ATOM 0 HA CYS A 21 -3.347 5.145 -1.950 1.00 64.42 H new ATOM 0 HB2 CYS A 21 -1.824 4.968 -3.827 1.00 45.44 H new ATOM 0 HB3 CYS A 21 -2.883 3.572 -3.779 1.00 45.44 H new ATOM 317 N SER A 22 -2.831 7.526 -2.411 1.00 65.32 N ATOM 318 CA SER A 22 -2.695 8.977 -2.497 1.00 10.12 C ATOM 319 C SER A 22 -1.227 9.388 -2.592 1.00 65.14 C ATOM 320 O SER A 22 -0.330 8.592 -2.315 1.00 32.50 O ATOM 321 CB SER A 22 -3.347 9.646 -1.287 1.00 25.22 C ATOM 322 OG SER A 22 -4.707 9.950 -1.544 1.00 65.11 O ATOM 0 H SER A 22 -2.203 7.084 -1.740 1.00 65.32 H new ATOM 0 HA SER A 22 -3.203 9.307 -3.403 1.00 10.12 H new ATOM 0 HB2 SER A 22 -3.276 8.988 -0.421 1.00 25.22 H new ATOM 0 HB3 SER A 22 -2.808 10.560 -1.038 1.00 25.22 H new ATOM 0 HG SER A 22 -5.102 10.375 -0.754 1.00 65.11 H new ATOM 328 N PRO A 23 -0.967 10.647 -2.988 1.00 12.03 N ATOM 329 CA PRO A 23 0.396 11.170 -3.126 1.00 21.13 C ATOM 330 C PRO A 23 1.260 10.894 -1.901 1.00 45.21 C ATOM 331 O PRO A 23 0.750 10.616 -0.815 1.00 51.53 O ATOM 332 CB PRO A 23 0.179 12.675 -3.299 1.00 35.35 C ATOM 333 CG PRO A 23 -1.175 12.789 -3.909 1.00 55.13 C ATOM 334 CD PRO A 23 -1.984 11.660 -3.331 1.00 54.30 C ATOM 0 HA PRO A 23 0.928 10.700 -3.953 1.00 21.13 H new ATOM 0 HB2 PRO A 23 0.229 13.196 -2.343 1.00 35.35 H new ATOM 0 HB3 PRO A 23 0.942 13.115 -3.941 1.00 35.35 H new ATOM 0 HG2 PRO A 23 -1.628 13.753 -3.677 1.00 55.13 H new ATOM 0 HG3 PRO A 23 -1.122 12.715 -4.995 1.00 55.13 H new ATOM 0 HD2 PRO A 23 -2.546 11.978 -2.453 1.00 54.30 H new ATOM 0 HD3 PRO A 23 -2.707 11.275 -4.050 1.00 54.30 H new ATOM 342 N CYS A 24 2.574 10.972 -2.088 1.00 64.21 N ATOM 343 CA CYS A 24 3.521 10.732 -1.006 1.00 41.12 C ATOM 344 C CYS A 24 4.295 12.001 -0.667 1.00 42.30 C ATOM 345 O CYS A 24 4.932 12.601 -1.532 1.00 75.22 O ATOM 346 CB CYS A 24 4.492 9.619 -1.398 1.00 22.43 C ATOM 347 SG CYS A 24 3.735 7.964 -1.476 1.00 62.54 S ATOM 0 H CYS A 24 3.008 11.200 -2.982 1.00 64.21 H new ATOM 0 HA CYS A 24 2.960 10.426 -0.123 1.00 41.12 H new ATOM 0 HB2 CYS A 24 4.925 9.855 -2.370 1.00 22.43 H new ATOM 0 HB3 CYS A 24 5.312 9.598 -0.681 1.00 22.43 H new ATOM 352 N SER A 25 4.236 12.402 0.598 1.00 62.44 N ATOM 353 CA SER A 25 4.934 13.600 1.054 1.00 2.22 C ATOM 354 C SER A 25 6.445 13.414 0.960 1.00 70.25 C ATOM 355 O SER A 25 6.927 12.467 0.337 1.00 14.45 O ATOM 356 CB SER A 25 4.536 13.929 2.494 1.00 74.44 C ATOM 357 OG SER A 25 4.424 15.329 2.685 1.00 60.02 O ATOM 0 H SER A 25 3.713 11.916 1.326 1.00 62.44 H new ATOM 0 HA SER A 25 4.647 14.429 0.408 1.00 2.22 H new ATOM 0 HB2 SER A 25 3.586 13.449 2.731 1.00 74.44 H new ATOM 0 HB3 SER A 25 5.278 13.523 3.182 1.00 74.44 H new ATOM 0 HG SER A 25 4.167 15.513 3.613 1.00 60.02 H new ATOM 363 N ASN A 26 7.189 14.324 1.579 1.00 2.45 N ATOM 364 CA ASN A 26 8.646 14.260 1.564 1.00 61.34 C ATOM 365 C ASN A 26 9.145 13.010 2.282 1.00 52.52 C ATOM 366 O ASN A 26 10.204 12.475 1.955 1.00 3.14 O ATOM 367 CB ASN A 26 9.239 15.509 2.218 1.00 2.43 C ATOM 368 CG ASN A 26 9.405 16.653 1.236 1.00 24.53 C ATOM 369 OD1 ASN A 26 10.344 16.671 0.441 1.00 4.30 O ATOM 370 ND2 ASN A 26 8.490 17.614 1.287 1.00 71.53 N ATOM 0 H ASN A 26 6.807 15.115 2.098 1.00 2.45 H new ATOM 0 HA ASN A 26 8.971 14.213 0.525 1.00 61.34 H new ATOM 0 HB2 ASN A 26 8.594 15.828 3.037 1.00 2.43 H new ATOM 0 HB3 ASN A 26 10.208 15.263 2.652 1.00 2.43 H new ATOM 0 HD21 ASN A 26 8.549 18.409 0.650 1.00 71.53 H new ATOM 0 HD22 ASN A 26 7.728 17.558 1.963 1.00 71.53 H new ATOM 377 N PHE A 27 8.375 12.547 3.263 1.00 41.14 N ATOM 378 CA PHE A 27 8.742 11.360 4.027 1.00 41.32 C ATOM 379 C PHE A 27 8.228 10.094 3.349 1.00 71.23 C ATOM 380 O PHE A 27 8.917 9.075 3.308 1.00 42.14 O ATOM 381 CB PHE A 27 8.187 11.452 5.450 1.00 24.41 C ATOM 382 CG PHE A 27 9.130 10.931 6.496 1.00 14.35 C ATOM 383 CD1 PHE A 27 10.163 11.722 6.974 1.00 4.42 C ATOM 384 CD2 PHE A 27 8.985 9.648 7.003 1.00 64.20 C ATOM 385 CE1 PHE A 27 11.032 11.245 7.936 1.00 72.30 C ATOM 386 CE2 PHE A 27 9.851 9.166 7.965 1.00 5.30 C ATOM 387 CZ PHE A 27 10.876 9.965 8.433 1.00 64.12 C ATOM 0 H PHE A 27 7.494 12.976 3.547 1.00 41.14 H new ATOM 0 HA PHE A 27 9.830 11.310 4.071 1.00 41.32 H new ATOM 0 HB2 PHE A 27 7.949 12.492 5.672 1.00 24.41 H new ATOM 0 HB3 PHE A 27 7.253 10.893 5.504 1.00 24.41 H new ATOM 0 HD1 PHE A 27 10.290 12.723 6.590 1.00 4.42 H new ATOM 0 HD2 PHE A 27 8.185 9.018 6.641 1.00 64.20 H new ATOM 0 HE1 PHE A 27 11.833 11.872 8.299 1.00 72.30 H new ATOM 0 HE2 PHE A 27 9.727 8.165 8.351 1.00 5.30 H new ATOM 0 HZ PHE A 27 11.554 9.590 9.186 1.00 64.12 H new ATOM 397 N ARG A 28 7.011 10.166 2.818 1.00 22.22 N ATOM 398 CA ARG A 28 6.403 9.024 2.143 1.00 53.32 C ATOM 399 C ARG A 28 7.236 8.599 0.937 1.00 23.30 C ATOM 400 O ARG A 28 7.602 7.432 0.803 1.00 30.43 O ATOM 401 CB ARG A 28 4.982 9.367 1.694 1.00 15.32 C ATOM 402 CG ARG A 28 4.005 9.551 2.841 1.00 53.34 C ATOM 403 CD ARG A 28 3.481 8.216 3.345 1.00 33.12 C ATOM 404 NE ARG A 28 4.282 7.696 4.451 1.00 10.41 N ATOM 405 CZ ARG A 28 3.861 6.757 5.295 1.00 5.44 C ATOM 406 NH1 ARG A 28 2.647 6.234 5.164 1.00 3.24 N ATOM 407 NH2 ARG A 28 4.654 6.339 6.273 1.00 51.31 N ATOM 0 H ARG A 28 6.427 11.002 2.842 1.00 22.22 H new ATOM 0 HA ARG A 28 6.365 8.195 2.850 1.00 53.32 H new ATOM 0 HB2 ARG A 28 5.009 10.282 1.102 1.00 15.32 H new ATOM 0 HB3 ARG A 28 4.616 8.575 1.041 1.00 15.32 H new ATOM 0 HG2 ARG A 28 4.496 10.082 3.657 1.00 53.34 H new ATOM 0 HG3 ARG A 28 3.170 10.171 2.514 1.00 53.34 H new ATOM 0 HD2 ARG A 28 2.447 8.332 3.669 1.00 33.12 H new ATOM 0 HD3 ARG A 28 3.480 7.495 2.528 1.00 33.12 H new ATOM 0 HE ARG A 28 5.219 8.075 4.584 1.00 10.41 H new ATOM 0 HH11 ARG A 28 2.033 6.552 4.414 1.00 3.24 H new ATOM 0 HH12 ARG A 28 2.329 5.515 5.813 1.00 3.24 H new ATOM 0 HH21 ARG A 28 5.587 6.737 6.378 1.00 51.31 H new ATOM 0 HH22 ARG A 28 4.331 5.619 6.919 1.00 51.31 H new ATOM 421 N ALA A 29 7.525 9.553 0.058 1.00 64.15 N ATOM 422 CA ALA A 29 8.309 9.279 -1.140 1.00 43.54 C ATOM 423 C ALA A 29 9.672 8.686 -0.792 1.00 41.43 C ATOM 424 O ALA A 29 10.289 8.005 -1.611 1.00 0.32 O ATOM 425 CB ALA A 29 8.479 10.548 -1.960 1.00 22.10 C ATOM 0 H ALA A 29 7.227 10.524 0.153 1.00 64.15 H new ATOM 0 HA ALA A 29 7.767 8.542 -1.733 1.00 43.54 H new ATOM 0 HB1 ALA A 29 9.066 10.329 -2.852 1.00 22.10 H new ATOM 0 HB2 ALA A 29 7.500 10.925 -2.254 1.00 22.10 H new ATOM 0 HB3 ALA A 29 8.993 11.301 -1.363 1.00 22.10 H new ATOM 431 N LYS A 30 10.139 8.950 0.425 1.00 63.32 N ATOM 432 CA LYS A 30 11.432 8.443 0.871 1.00 21.21 C ATOM 433 C LYS A 30 11.292 7.060 1.502 1.00 71.31 C ATOM 434 O LYS A 30 11.843 6.081 1.001 1.00 20.25 O ATOM 435 CB LYS A 30 12.063 9.411 1.875 1.00 54.31 C ATOM 436 CG LYS A 30 12.649 10.656 1.231 1.00 43.22 C ATOM 437 CD LYS A 30 13.552 11.410 2.194 1.00 73.04 C ATOM 438 CE LYS A 30 14.191 12.618 1.530 1.00 54.22 C ATOM 439 NZ LYS A 30 15.485 12.275 0.877 1.00 13.54 N ATOM 0 H LYS A 30 9.643 9.510 1.118 1.00 63.32 H new ATOM 0 HA LYS A 30 12.079 8.358 -0.002 1.00 21.21 H new ATOM 0 HB2 LYS A 30 11.309 9.709 2.603 1.00 54.31 H new ATOM 0 HB3 LYS A 30 12.848 8.892 2.424 1.00 54.31 H new ATOM 0 HG2 LYS A 30 13.216 10.375 0.343 1.00 43.22 H new ATOM 0 HG3 LYS A 30 11.842 11.310 0.900 1.00 43.22 H new ATOM 0 HD2 LYS A 30 12.973 11.733 3.059 1.00 73.04 H new ATOM 0 HD3 LYS A 30 14.331 10.742 2.563 1.00 73.04 H new ATOM 0 HE2 LYS A 30 13.507 13.028 0.787 1.00 54.22 H new ATOM 0 HE3 LYS A 30 14.356 13.397 2.275 1.00 54.22 H new ATOM 0 HZ1 LYS A 30 15.888 13.126 0.436 1.00 13.54 H new ATOM 0 HZ2 LYS A 30 16.147 11.908 1.590 1.00 13.54 H new ATOM 0 HZ3 LYS A 30 15.325 11.551 0.148 1.00 13.54 H new ATOM 453 N THR A 31 10.554 6.989 2.605 1.00 61.53 N ATOM 454 CA THR A 31 10.345 5.727 3.305 1.00 13.24 C ATOM 455 C THR A 31 9.577 4.738 2.433 1.00 42.45 C ATOM 456 O THR A 31 10.036 3.621 2.194 1.00 34.10 O ATOM 457 CB THR A 31 9.589 5.965 4.614 1.00 11.02 C ATOM 458 OG1 THR A 31 9.745 7.305 5.046 1.00 32.44 O ATOM 459 CG2 THR A 31 10.046 5.063 5.739 1.00 22.32 C ATOM 0 H THR A 31 10.091 7.791 3.033 1.00 61.53 H new ATOM 0 HA THR A 31 11.323 5.300 3.529 1.00 13.24 H new ATOM 0 HB THR A 31 8.546 5.742 4.391 1.00 11.02 H new ATOM 0 HG1 THR A 31 9.107 7.878 4.572 1.00 32.44 H new ATOM 0 HG21 THR A 31 9.470 5.283 6.638 1.00 22.32 H new ATOM 0 HG22 THR A 31 9.893 4.022 5.456 1.00 22.32 H new ATOM 0 HG23 THR A 31 11.105 5.234 5.935 1.00 22.32 H new ATOM 467 N THR A 32 8.406 5.155 1.965 1.00 45.15 N ATOM 468 CA THR A 32 7.571 4.307 1.123 1.00 43.11 C ATOM 469 C THR A 32 8.104 4.263 -0.310 1.00 2.54 C ATOM 470 O THR A 32 8.068 5.267 -1.022 1.00 63.31 O ATOM 471 CB THR A 32 6.129 4.817 1.125 1.00 61.10 C ATOM 472 OG1 THR A 32 5.657 4.981 2.450 1.00 32.05 O ATOM 473 CG2 THR A 32 5.167 3.895 0.407 1.00 2.45 C ATOM 0 H THR A 32 8.013 6.077 2.155 1.00 45.15 H new ATOM 0 HA THR A 32 7.596 3.297 1.531 1.00 43.11 H new ATOM 0 HB THR A 32 6.159 5.769 0.595 1.00 61.10 H new ATOM 0 HG1 THR A 32 4.734 5.309 2.430 1.00 32.05 H new ATOM 0 HG21 THR A 32 4.162 4.316 0.446 1.00 2.45 H new ATOM 0 HG22 THR A 32 5.475 3.786 -0.633 1.00 2.45 H new ATOM 0 HG23 THR A 32 5.170 2.918 0.890 1.00 2.45 H new ATOM 481 N PRO A 33 8.605 3.096 -0.757 1.00 11.43 N ATOM 482 CA PRO A 33 9.142 2.935 -2.111 1.00 45.13 C ATOM 483 C PRO A 33 8.049 2.764 -3.161 1.00 31.43 C ATOM 484 O PRO A 33 8.336 2.615 -4.350 1.00 12.40 O ATOM 485 CB PRO A 33 9.972 1.660 -1.998 1.00 10.30 C ATOM 486 CG PRO A 33 9.271 0.855 -0.959 1.00 12.03 C ATOM 487 CD PRO A 33 8.690 1.842 0.019 1.00 41.42 C ATOM 0 HA PRO A 33 9.705 3.810 -2.434 1.00 45.13 H new ATOM 0 HB2 PRO A 33 10.017 1.129 -2.949 1.00 10.30 H new ATOM 0 HB3 PRO A 33 10.999 1.879 -1.706 1.00 10.30 H new ATOM 0 HG2 PRO A 33 8.488 0.242 -1.405 1.00 12.03 H new ATOM 0 HG3 PRO A 33 9.963 0.175 -0.461 1.00 12.03 H new ATOM 0 HD2 PRO A 33 7.710 1.524 0.374 1.00 41.42 H new ATOM 0 HD3 PRO A 33 9.325 1.957 0.897 1.00 41.42 H new ATOM 495 N GLU A 34 6.793 2.782 -2.720 1.00 11.32 N ATOM 496 CA GLU A 34 5.662 2.625 -3.628 1.00 53.25 C ATOM 497 C GLU A 34 5.173 3.977 -4.145 1.00 10.23 C ATOM 498 O GLU A 34 4.007 4.125 -4.511 1.00 54.24 O ATOM 499 CB GLU A 34 4.519 1.890 -2.924 1.00 63.21 C ATOM 500 CG GLU A 34 4.558 0.384 -3.113 1.00 20.42 C ATOM 501 CD GLU A 34 5.213 -0.334 -1.949 1.00 61.21 C ATOM 502 OE1 GLU A 34 6.085 0.273 -1.292 1.00 71.10 O ATOM 503 OE2 GLU A 34 4.853 -1.501 -1.693 1.00 20.23 O ATOM 0 H GLU A 34 6.534 2.904 -1.741 1.00 11.32 H new ATOM 0 HA GLU A 34 5.997 2.037 -4.482 1.00 53.25 H new ATOM 0 HB2 GLU A 34 4.555 2.115 -1.858 1.00 63.21 H new ATOM 0 HB3 GLU A 34 3.568 2.270 -3.298 1.00 63.21 H new ATOM 0 HG2 GLU A 34 3.542 0.011 -3.239 1.00 20.42 H new ATOM 0 HG3 GLU A 34 5.099 0.151 -4.030 1.00 20.42 H new ATOM 510 N CYS A 35 6.069 4.960 -4.178 1.00 34.03 N ATOM 511 CA CYS A 35 5.725 6.294 -4.657 1.00 51.31 C ATOM 512 C CYS A 35 6.604 6.697 -5.840 1.00 2.43 C ATOM 513 O CYS A 35 6.644 7.865 -6.224 1.00 20.32 O ATOM 514 CB CYS A 35 5.874 7.320 -3.530 1.00 24.41 C ATOM 515 SG CYS A 35 5.294 6.738 -1.903 1.00 51.41 S ATOM 0 H CYS A 35 7.039 4.857 -3.879 1.00 34.03 H new ATOM 0 HA CYS A 35 4.687 6.272 -4.989 1.00 51.31 H new ATOM 0 HB2 CYS A 35 6.924 7.603 -3.449 1.00 24.41 H new ATOM 0 HB3 CYS A 35 5.321 8.220 -3.799 1.00 24.41 H new ATOM 520 N GLY A 36 7.312 5.724 -6.410 1.00 63.22 N ATOM 521 CA GLY A 36 8.181 6.003 -7.537 1.00 52.33 C ATOM 522 C GLY A 36 7.443 6.024 -8.865 1.00 55.01 C ATOM 523 O GLY A 36 7.615 6.952 -9.654 1.00 64.32 O ATOM 0 H GLY A 36 7.298 4.749 -6.110 1.00 63.22 H new ATOM 0 HA2 GLY A 36 8.668 6.966 -7.383 1.00 52.33 H new ATOM 0 HA3 GLY A 36 8.968 5.250 -7.577 1.00 52.33 H new ATOM 527 N PRO A 37 6.616 5.001 -9.148 1.00 73.14 N ATOM 528 CA PRO A 37 5.870 4.925 -10.403 1.00 23.15 C ATOM 529 C PRO A 37 4.655 5.854 -10.431 1.00 63.30 C ATOM 530 O PRO A 37 4.696 6.919 -11.046 1.00 0.41 O ATOM 531 CB PRO A 37 5.444 3.458 -10.477 1.00 62.32 C ATOM 532 CG PRO A 37 5.427 2.967 -9.067 1.00 11.42 C ATOM 533 CD PRO A 37 6.358 3.845 -8.271 1.00 1.33 C ATOM 0 HA PRO A 37 6.473 5.247 -11.252 1.00 23.15 H new ATOM 0 HB2 PRO A 37 4.461 3.359 -10.937 1.00 62.32 H new ATOM 0 HB3 PRO A 37 6.140 2.879 -11.084 1.00 62.32 H new ATOM 0 HG2 PRO A 37 4.417 3.009 -8.658 1.00 11.42 H new ATOM 0 HG3 PRO A 37 5.747 1.926 -9.019 1.00 11.42 H new ATOM 0 HD2 PRO A 37 5.904 4.155 -7.330 1.00 1.33 H new ATOM 0 HD3 PRO A 37 7.281 3.322 -8.022 1.00 1.33 H new ATOM 541 N THR A 38 3.574 5.446 -9.772 1.00 72.51 N ATOM 542 CA THR A 38 2.354 6.245 -9.735 1.00 5.33 C ATOM 543 C THR A 38 2.498 7.432 -8.792 1.00 31.43 C ATOM 544 O THR A 38 1.856 8.465 -8.977 1.00 73.30 O ATOM 545 CB THR A 38 1.167 5.388 -9.286 1.00 71.42 C ATOM 546 OG1 THR A 38 0.012 6.187 -9.107 1.00 73.30 O ATOM 547 CG2 THR A 38 1.419 4.652 -7.987 1.00 44.04 C ATOM 0 H THR A 38 3.518 4.567 -9.257 1.00 72.51 H new ATOM 0 HA THR A 38 2.177 6.618 -10.744 1.00 5.33 H new ATOM 0 HB THR A 38 1.023 4.655 -10.080 1.00 71.42 H new ATOM 0 HG1 THR A 38 -0.657 5.686 -8.595 1.00 73.30 H new ATOM 0 HG21 THR A 38 0.539 4.064 -7.725 1.00 44.04 H new ATOM 0 HG22 THR A 38 2.277 3.990 -8.105 1.00 44.04 H new ATOM 0 HG23 THR A 38 1.623 5.372 -7.194 1.00 44.04 H new ATOM 555 N GLY A 39 3.319 7.267 -7.760 1.00 33.13 N ATOM 556 CA GLY A 39 3.498 8.327 -6.787 1.00 62.14 C ATOM 557 C GLY A 39 2.365 8.350 -5.775 1.00 14.14 C ATOM 558 O GLY A 39 2.344 9.184 -4.869 1.00 32.31 O ATOM 0 H GLY A 39 3.861 6.422 -7.581 1.00 33.13 H new ATOM 0 HA2 GLY A 39 4.447 8.191 -6.269 1.00 62.14 H new ATOM 0 HA3 GLY A 39 3.550 9.288 -7.299 1.00 62.14 H new ATOM 562 N TYR A 40 1.423 7.422 -5.938 1.00 12.43 N ATOM 563 CA TYR A 40 0.275 7.310 -5.052 1.00 72.12 C ATOM 564 C TYR A 40 0.303 5.965 -4.332 1.00 52.23 C ATOM 565 O TYR A 40 0.416 4.917 -4.971 1.00 63.24 O ATOM 566 CB TYR A 40 -1.018 7.439 -5.860 1.00 3.43 C ATOM 567 CG TYR A 40 -1.317 8.851 -6.316 1.00 2.20 C ATOM 568 CD1 TYR A 40 -0.387 9.578 -7.047 1.00 11.45 C ATOM 569 CD2 TYR A 40 -2.533 9.453 -6.018 1.00 71.14 C ATOM 570 CE1 TYR A 40 -0.659 10.866 -7.469 1.00 41.14 C ATOM 571 CE2 TYR A 40 -2.813 10.741 -6.438 1.00 4.45 C ATOM 572 CZ TYR A 40 -1.873 11.442 -7.161 1.00 61.44 C ATOM 573 OH TYR A 40 -2.148 12.724 -7.580 1.00 3.50 O ATOM 0 H TYR A 40 1.438 6.730 -6.687 1.00 12.43 H new ATOM 0 HA TYR A 40 0.317 8.110 -4.313 1.00 72.12 H new ATOM 0 HB2 TYR A 40 -0.955 6.791 -6.734 1.00 3.43 H new ATOM 0 HB3 TYR A 40 -1.850 7.079 -5.255 1.00 3.43 H new ATOM 0 HD1 TYR A 40 0.565 9.130 -7.290 1.00 11.45 H new ATOM 0 HD2 TYR A 40 -3.271 8.907 -5.450 1.00 71.14 H new ATOM 0 HE1 TYR A 40 0.075 11.418 -8.037 1.00 41.14 H new ATOM 0 HE2 TYR A 40 -3.764 11.195 -6.200 1.00 4.45 H new ATOM 0 HH TYR A 40 -3.046 12.980 -7.282 1.00 3.50 H new ATOM 583 N VAL A 41 0.210 5.987 -3.005 1.00 42.43 N ATOM 584 CA VAL A 41 0.237 4.753 -2.228 1.00 62.13 C ATOM 585 C VAL A 41 -1.067 4.524 -1.472 1.00 74.32 C ATOM 586 O VAL A 41 -1.578 5.422 -0.801 1.00 3.13 O ATOM 587 CB VAL A 41 1.406 4.739 -1.230 1.00 24.30 C ATOM 588 CG1 VAL A 41 2.736 4.820 -1.962 1.00 2.21 C ATOM 589 CG2 VAL A 41 1.271 5.875 -0.226 1.00 64.44 C ATOM 0 H VAL A 41 0.116 6.838 -2.450 1.00 42.43 H new ATOM 0 HA VAL A 41 0.370 3.946 -2.948 1.00 62.13 H new ATOM 0 HB VAL A 41 1.376 3.798 -0.682 1.00 24.30 H new ATOM 0 HG11 VAL A 41 3.551 4.809 -1.238 1.00 2.21 H new ATOM 0 HG12 VAL A 41 2.835 3.967 -2.633 1.00 2.21 H new ATOM 0 HG13 VAL A 41 2.777 5.743 -2.541 1.00 2.21 H new ATOM 0 HG21 VAL A 41 2.109 5.846 0.471 1.00 64.44 H new ATOM 0 HG22 VAL A 41 1.270 6.829 -0.754 1.00 64.44 H new ATOM 0 HG23 VAL A 41 0.337 5.765 0.325 1.00 64.44 H new ATOM 599 N GLU A 42 -1.594 3.307 -1.588 1.00 61.52 N ATOM 600 CA GLU A 42 -2.841 2.925 -0.928 1.00 3.23 C ATOM 601 C GLU A 42 -2.572 2.057 0.297 1.00 23.24 C ATOM 602 O GLU A 42 -1.430 1.693 0.579 1.00 50.54 O ATOM 603 CB GLU A 42 -3.738 2.162 -1.906 1.00 62.53 C ATOM 604 CG GLU A 42 -2.986 1.155 -2.758 1.00 13.02 C ATOM 605 CD GLU A 42 -3.747 -0.142 -2.942 1.00 72.20 C ATOM 606 OE1 GLU A 42 -4.978 -0.143 -2.732 1.00 2.41 O ATOM 607 OE2 GLU A 42 -3.112 -1.158 -3.296 1.00 31.14 O ATOM 0 H GLU A 42 -1.171 2.561 -2.140 1.00 61.52 H new ATOM 0 HA GLU A 42 -3.343 3.837 -0.603 1.00 3.23 H new ATOM 0 HB2 GLU A 42 -4.515 1.643 -1.345 1.00 62.53 H new ATOM 0 HB3 GLU A 42 -4.240 2.876 -2.559 1.00 62.53 H new ATOM 0 HG2 GLU A 42 -2.782 1.593 -3.735 1.00 13.02 H new ATOM 0 HG3 GLU A 42 -2.022 0.943 -2.296 1.00 13.02 H new ATOM 614 N LYS A 43 -3.641 1.720 1.015 1.00 11.22 N ATOM 615 CA LYS A 43 -3.535 0.885 2.206 1.00 62.41 C ATOM 616 C LYS A 43 -4.330 -0.406 2.027 1.00 53.12 C ATOM 617 O LYS A 43 -5.536 -0.447 2.270 1.00 1.11 O ATOM 618 CB LYS A 43 -4.034 1.644 3.438 1.00 42.13 C ATOM 619 CG LYS A 43 -3.107 1.530 4.637 1.00 13.50 C ATOM 620 CD LYS A 43 -3.147 2.786 5.493 1.00 11.04 C ATOM 621 CE LYS A 43 -3.058 2.456 6.974 1.00 11.11 C ATOM 622 NZ LYS A 43 -2.232 3.448 7.716 1.00 54.40 N ATOM 0 H LYS A 43 -4.592 2.014 0.791 1.00 11.22 H new ATOM 0 HA LYS A 43 -2.485 0.631 2.353 1.00 62.41 H new ATOM 0 HB2 LYS A 43 -4.156 2.696 3.182 1.00 42.13 H new ATOM 0 HB3 LYS A 43 -5.019 1.267 3.713 1.00 42.13 H new ATOM 0 HG2 LYS A 43 -3.394 0.668 5.240 1.00 13.50 H new ATOM 0 HG3 LYS A 43 -2.087 1.354 4.295 1.00 13.50 H new ATOM 0 HD2 LYS A 43 -2.322 3.443 5.216 1.00 11.04 H new ATOM 0 HD3 LYS A 43 -4.069 3.332 5.296 1.00 11.04 H new ATOM 0 HE2 LYS A 43 -4.061 2.427 7.400 1.00 11.11 H new ATOM 0 HE3 LYS A 43 -2.630 1.461 7.099 1.00 11.11 H new ATOM 0 HZ1 LYS A 43 -2.196 3.187 8.722 1.00 54.40 H new ATOM 0 HZ2 LYS A 43 -1.268 3.458 7.326 1.00 54.40 H new ATOM 0 HZ3 LYS A 43 -2.654 4.393 7.618 1.00 54.40 H new ATOM 636 N ILE A 44 -3.643 -1.456 1.591 1.00 32.43 N ATOM 637 CA ILE A 44 -4.276 -2.752 1.368 1.00 61.52 C ATOM 638 C ILE A 44 -4.054 -3.691 2.549 1.00 63.40 C ATOM 639 O ILE A 44 -2.922 -3.896 2.988 1.00 33.33 O ATOM 640 CB ILE A 44 -3.742 -3.423 0.085 1.00 31.32 C ATOM 641 CG1 ILE A 44 -2.211 -3.475 0.101 1.00 72.31 C ATOM 642 CG2 ILE A 44 -4.242 -2.681 -1.146 1.00 10.33 C ATOM 643 CD1 ILE A 44 -1.656 -4.870 0.276 1.00 31.45 C ATOM 0 H ILE A 44 -2.644 -1.435 1.384 1.00 32.43 H new ATOM 0 HA ILE A 44 -5.344 -2.564 1.257 1.00 61.52 H new ATOM 0 HB ILE A 44 -4.116 -4.446 0.047 1.00 31.32 H new ATOM 0 HG12 ILE A 44 -1.832 -3.056 -0.831 1.00 72.31 H new ATOM 0 HG13 ILE A 44 -1.842 -2.842 0.908 1.00 72.31 H new ATOM 0 HG21 ILE A 44 -3.858 -3.165 -2.044 1.00 10.33 H new ATOM 0 HG22 ILE A 44 -5.332 -2.697 -1.163 1.00 10.33 H new ATOM 0 HG23 ILE A 44 -3.895 -1.648 -1.114 1.00 10.33 H new ATOM 0 HD11 ILE A 44 -0.567 -4.831 0.278 1.00 31.45 H new ATOM 0 HD12 ILE A 44 -2.006 -5.285 1.221 1.00 31.45 H new ATOM 0 HD13 ILE A 44 -1.995 -5.502 -0.545 1.00 31.45 H new ATOM 655 N THR A 45 -5.143 -4.261 3.057 1.00 55.41 N ATOM 656 CA THR A 45 -5.073 -5.182 4.187 1.00 51.25 C ATOM 657 C THR A 45 -5.174 -6.629 3.714 1.00 40.22 C ATOM 658 O THR A 45 -5.986 -6.951 2.846 1.00 1.12 O ATOM 659 CB THR A 45 -6.192 -4.882 5.185 1.00 15.12 C ATOM 660 OG1 THR A 45 -6.327 -3.485 5.382 1.00 3.01 O ATOM 661 CG2 THR A 45 -5.973 -5.518 6.540 1.00 42.42 C ATOM 0 H THR A 45 -6.086 -4.101 2.703 1.00 55.41 H new ATOM 0 HA THR A 45 -4.110 -5.044 4.678 1.00 51.25 H new ATOM 0 HB THR A 45 -7.093 -5.308 4.744 1.00 15.12 H new ATOM 0 HG1 THR A 45 -7.049 -3.313 6.022 1.00 3.01 H new ATOM 0 HG21 THR A 45 -6.803 -5.265 7.199 1.00 42.42 H new ATOM 0 HG22 THR A 45 -5.915 -6.601 6.429 1.00 42.42 H new ATOM 0 HG23 THR A 45 -5.043 -5.147 6.970 1.00 42.42 H new ATOM 669 N CYS A 46 -4.344 -7.497 4.285 1.00 64.32 N ATOM 670 CA CYS A 46 -4.345 -8.908 3.914 1.00 13.53 C ATOM 671 C CYS A 46 -5.238 -9.723 4.840 1.00 55.44 C ATOM 672 O CYS A 46 -5.010 -9.782 6.047 1.00 70.35 O ATOM 673 CB CYS A 46 -2.922 -9.471 3.937 1.00 22.14 C ATOM 674 SG CYS A 46 -1.859 -8.835 2.600 1.00 51.55 S ATOM 0 H CYS A 46 -3.664 -7.249 5.004 1.00 64.32 H new ATOM 0 HA CYS A 46 -4.742 -8.982 2.902 1.00 13.53 H new ATOM 0 HB2 CYS A 46 -2.463 -9.235 4.897 1.00 22.14 H new ATOM 0 HB3 CYS A 46 -2.970 -10.558 3.865 1.00 22.14 H new ATOM 679 N SER A 47 -6.250 -10.364 4.262 1.00 45.25 N ATOM 680 CA SER A 47 -7.173 -11.190 5.032 1.00 42.35 C ATOM 681 C SER A 47 -6.403 -12.181 5.896 1.00 14.03 C ATOM 682 O SER A 47 -6.868 -12.588 6.961 1.00 21.44 O ATOM 683 CB SER A 47 -8.121 -11.939 4.094 1.00 63.32 C ATOM 684 OG SER A 47 -8.875 -12.911 4.797 1.00 14.35 O ATOM 0 H SER A 47 -6.451 -10.327 3.263 1.00 45.25 H new ATOM 0 HA SER A 47 -7.760 -10.541 5.682 1.00 42.35 H new ATOM 0 HB2 SER A 47 -8.795 -11.231 3.612 1.00 63.32 H new ATOM 0 HB3 SER A 47 -7.548 -12.422 3.303 1.00 63.32 H new ATOM 0 HG SER A 47 -9.474 -13.374 4.174 1.00 14.35 H new ATOM 690 N SER A 48 -5.215 -12.552 5.432 1.00 3.45 N ATOM 691 CA SER A 48 -4.366 -13.480 6.160 1.00 4.33 C ATOM 692 C SER A 48 -3.492 -12.726 7.154 1.00 11.24 C ATOM 693 O SER A 48 -2.503 -12.097 6.778 1.00 45.14 O ATOM 694 CB SER A 48 -3.496 -14.284 5.193 1.00 32.31 C ATOM 695 OG SER A 48 -3.927 -15.633 5.120 1.00 44.11 O ATOM 0 H SER A 48 -4.819 -12.222 4.552 1.00 3.45 H new ATOM 0 HA SER A 48 -5.003 -14.174 6.709 1.00 4.33 H new ATOM 0 HB2 SER A 48 -3.535 -13.832 4.202 1.00 32.31 H new ATOM 0 HB3 SER A 48 -2.456 -14.248 5.519 1.00 32.31 H new ATOM 0 HG SER A 48 -3.356 -16.125 4.494 1.00 44.11 H new ATOM 701 N SER A 49 -3.884 -12.789 8.422 1.00 21.11 N ATOM 702 CA SER A 49 -3.172 -12.117 9.511 1.00 51.02 C ATOM 703 C SER A 49 -3.529 -10.635 9.577 1.00 25.33 C ATOM 704 O SER A 49 -2.912 -9.879 10.327 1.00 51.41 O ATOM 705 CB SER A 49 -1.650 -12.277 9.371 1.00 14.34 C ATOM 706 OG SER A 49 -1.150 -13.218 10.305 1.00 42.14 O ATOM 0 H SER A 49 -4.707 -13.308 8.728 1.00 21.11 H new ATOM 0 HA SER A 49 -3.488 -12.595 10.438 1.00 51.02 H new ATOM 0 HB2 SER A 49 -1.406 -12.599 8.359 1.00 14.34 H new ATOM 0 HB3 SER A 49 -1.164 -11.314 9.524 1.00 14.34 H new ATOM 0 HG SER A 49 -0.180 -13.304 10.195 1.00 42.14 H new ATOM 712 N LYS A 50 -4.524 -10.221 8.789 1.00 72.14 N ATOM 713 CA LYS A 50 -4.949 -8.824 8.762 1.00 20.52 C ATOM 714 C LYS A 50 -3.736 -7.900 8.767 1.00 2.24 C ATOM 715 O LYS A 50 -3.416 -7.281 9.780 1.00 33.43 O ATOM 716 CB LYS A 50 -5.849 -8.519 9.963 1.00 22.21 C ATOM 717 CG LYS A 50 -7.329 -8.488 9.620 1.00 61.25 C ATOM 718 CD LYS A 50 -7.717 -7.185 8.941 1.00 54.41 C ATOM 719 CE LYS A 50 -9.099 -6.722 9.371 1.00 54.43 C ATOM 720 NZ LYS A 50 -9.126 -6.304 10.801 1.00 32.11 N ATOM 0 H LYS A 50 -5.048 -10.833 8.164 1.00 72.14 H new ATOM 0 HA LYS A 50 -5.515 -8.652 7.847 1.00 20.52 H new ATOM 0 HB2 LYS A 50 -5.679 -9.270 10.734 1.00 22.21 H new ATOM 0 HB3 LYS A 50 -5.562 -7.556 10.387 1.00 22.21 H new ATOM 0 HG2 LYS A 50 -7.569 -9.326 8.966 1.00 61.25 H new ATOM 0 HG3 LYS A 50 -7.917 -8.615 10.529 1.00 61.25 H new ATOM 0 HD2 LYS A 50 -6.983 -6.416 9.182 1.00 54.41 H new ATOM 0 HD3 LYS A 50 -7.697 -7.317 7.859 1.00 54.41 H new ATOM 0 HE2 LYS A 50 -9.414 -5.888 8.743 1.00 54.43 H new ATOM 0 HE3 LYS A 50 -9.816 -7.528 9.215 1.00 54.43 H new ATOM 0 HZ1 LYS A 50 -9.932 -5.667 10.961 1.00 32.11 H new ATOM 0 HZ2 LYS A 50 -9.222 -7.144 11.406 1.00 32.11 H new ATOM 0 HZ3 LYS A 50 -8.242 -5.809 11.035 1.00 32.11 H new ATOM 734 N ARG A 51 -3.056 -7.829 7.629 1.00 1.11 N ATOM 735 CA ARG A 51 -1.867 -7.001 7.507 1.00 14.13 C ATOM 736 C ARG A 51 -2.063 -5.904 6.468 1.00 53.14 C ATOM 737 O ARG A 51 -2.290 -6.178 5.290 1.00 22.30 O ATOM 738 CB ARG A 51 -0.661 -7.870 7.146 1.00 42.52 C ATOM 739 CG ARG A 51 0.462 -7.808 8.168 1.00 52.54 C ATOM 740 CD ARG A 51 1.665 -8.621 7.723 1.00 73.22 C ATOM 741 NE ARG A 51 2.811 -8.438 8.613 1.00 64.03 N ATOM 742 CZ ARG A 51 3.519 -7.314 8.686 1.00 42.13 C ATOM 743 NH1 ARG A 51 3.205 -6.272 7.926 1.00 21.42 N ATOM 744 NH2 ARG A 51 4.545 -7.232 9.523 1.00 50.42 N ATOM 0 H ARG A 51 -3.309 -8.335 6.780 1.00 1.11 H new ATOM 0 HA ARG A 51 -1.685 -6.520 8.468 1.00 14.13 H new ATOM 0 HB2 ARG A 51 -0.988 -8.904 7.040 1.00 42.52 H new ATOM 0 HB3 ARG A 51 -0.276 -7.557 6.176 1.00 42.52 H new ATOM 0 HG2 ARG A 51 0.759 -6.771 8.321 1.00 52.54 H new ATOM 0 HG3 ARG A 51 0.104 -8.182 9.127 1.00 52.54 H new ATOM 0 HD2 ARG A 51 1.397 -9.677 7.690 1.00 73.22 H new ATOM 0 HD3 ARG A 51 1.943 -8.331 6.710 1.00 73.22 H new ATOM 0 HE ARG A 51 3.083 -9.217 9.212 1.00 64.03 H new ATOM 0 HH11 ARG A 51 2.417 -6.330 7.281 1.00 21.42 H new ATOM 0 HH12 ARG A 51 3.752 -5.413 7.987 1.00 21.42 H new ATOM 0 HH21 ARG A 51 4.790 -8.030 10.109 1.00 50.42 H new ATOM 0 HH22 ARG A 51 5.089 -6.371 9.580 1.00 50.42 H new ATOM 758 N ASN A 52 -1.968 -4.660 6.921 1.00 34.42 N ATOM 759 CA ASN A 52 -2.129 -3.509 6.040 1.00 23.12 C ATOM 760 C ASN A 52 -0.779 -3.041 5.513 1.00 31.12 C ATOM 761 O ASN A 52 0.021 -2.462 6.248 1.00 2.31 O ATOM 762 CB ASN A 52 -2.831 -2.363 6.774 1.00 20.24 C ATOM 763 CG ASN A 52 -2.253 -2.116 8.155 1.00 4.31 C ATOM 764 OD1 ASN A 52 -1.125 -2.511 8.449 1.00 5.34 O ATOM 765 ND2 ASN A 52 -3.027 -1.457 9.009 1.00 3.21 N ATOM 0 H ASN A 52 -1.780 -4.422 7.895 1.00 34.42 H new ATOM 0 HA ASN A 52 -2.746 -3.814 5.195 1.00 23.12 H new ATOM 0 HB2 ASN A 52 -2.749 -1.452 6.181 1.00 20.24 H new ATOM 0 HB3 ASN A 52 -3.893 -2.590 6.864 1.00 20.24 H new ATOM 0 HD21 ASN A 52 -2.693 -1.259 9.952 1.00 3.21 H new ATOM 0 HD22 ASN A 52 -3.956 -1.148 8.722 1.00 3.21 H new ATOM 772 N GLU A 53 -0.531 -3.303 4.236 1.00 41.33 N ATOM 773 CA GLU A 53 0.725 -2.915 3.607 1.00 4.05 C ATOM 774 C GLU A 53 0.556 -1.632 2.802 1.00 61.35 C ATOM 775 O GLU A 53 -0.562 -1.227 2.487 1.00 75.32 O ATOM 776 CB GLU A 53 1.229 -4.039 2.701 1.00 12.24 C ATOM 777 CG GLU A 53 2.377 -4.838 3.298 1.00 2.20 C ATOM 778 CD GLU A 53 3.530 -3.959 3.741 1.00 62.15 C ATOM 779 OE1 GLU A 53 4.400 -3.654 2.898 1.00 35.21 O ATOM 780 OE2 GLU A 53 3.564 -3.576 4.928 1.00 30.34 O ATOM 0 H GLU A 53 -1.183 -3.783 3.615 1.00 41.33 H new ATOM 0 HA GLU A 53 1.458 -2.733 4.393 1.00 4.05 H new ATOM 0 HB2 GLU A 53 0.403 -4.715 2.482 1.00 12.24 H new ATOM 0 HB3 GLU A 53 1.551 -3.611 1.751 1.00 12.24 H new ATOM 0 HG2 GLU A 53 2.012 -5.410 4.151 1.00 2.20 H new ATOM 0 HG3 GLU A 53 2.735 -5.558 2.562 1.00 2.20 H new ATOM 787 N PHE A 54 1.676 -1.004 2.467 1.00 62.12 N ATOM 788 CA PHE A 54 1.657 0.231 1.693 1.00 52.31 C ATOM 789 C PHE A 54 1.961 -0.056 0.226 1.00 20.21 C ATOM 790 O PHE A 54 3.121 -0.172 -0.167 1.00 71.11 O ATOM 791 CB PHE A 54 2.673 1.228 2.254 1.00 31.23 C ATOM 792 CG PHE A 54 2.211 1.913 3.507 1.00 44.21 C ATOM 793 CD1 PHE A 54 1.260 2.921 3.452 1.00 53.04 C ATOM 794 CD2 PHE A 54 2.726 1.552 4.741 1.00 60.55 C ATOM 795 CE1 PHE A 54 0.833 3.554 4.603 1.00 20.43 C ATOM 796 CE2 PHE A 54 2.303 2.181 5.897 1.00 31.14 C ATOM 797 CZ PHE A 54 1.355 3.184 5.827 1.00 5.43 C ATOM 0 H PHE A 54 2.609 -1.330 2.719 1.00 62.12 H new ATOM 0 HA PHE A 54 0.661 0.667 1.766 1.00 52.31 H new ATOM 0 HB2 PHE A 54 3.608 0.706 2.458 1.00 31.23 H new ATOM 0 HB3 PHE A 54 2.888 1.981 1.496 1.00 31.23 H new ATOM 0 HD1 PHE A 54 0.848 3.215 2.498 1.00 53.04 H new ATOM 0 HD2 PHE A 54 3.468 0.769 4.801 1.00 60.55 H new ATOM 0 HE1 PHE A 54 0.092 4.337 4.546 1.00 20.43 H new ATOM 0 HE2 PHE A 54 2.713 1.889 6.853 1.00 31.14 H new ATOM 0 HZ PHE A 54 1.023 3.678 6.728 1.00 5.43 H new ATOM 807 N LYS A 55 0.909 -0.176 -0.573 1.00 44.01 N ATOM 808 CA LYS A 55 1.055 -0.459 -1.997 1.00 73.11 C ATOM 809 C LYS A 55 0.818 0.796 -2.829 1.00 63.12 C ATOM 810 O LYS A 55 0.497 1.854 -2.294 1.00 60.32 O ATOM 811 CB LYS A 55 0.079 -1.560 -2.414 1.00 13.23 C ATOM 812 CG LYS A 55 0.767 -2.813 -2.927 1.00 41.25 C ATOM 813 CD LYS A 55 -0.221 -3.765 -3.584 1.00 62.10 C ATOM 814 CE LYS A 55 0.338 -4.337 -4.876 1.00 31.24 C ATOM 815 NZ LYS A 55 -0.571 -5.352 -5.474 1.00 13.13 N ATOM 0 H LYS A 55 -0.057 -0.082 -0.260 1.00 44.01 H new ATOM 0 HA LYS A 55 2.075 -0.798 -2.177 1.00 73.11 H new ATOM 0 HB2 LYS A 55 -0.548 -1.822 -1.562 1.00 13.23 H new ATOM 0 HB3 LYS A 55 -0.583 -1.174 -3.190 1.00 13.23 H new ATOM 0 HG2 LYS A 55 1.539 -2.537 -3.645 1.00 41.25 H new ATOM 0 HG3 LYS A 55 1.266 -3.319 -2.101 1.00 41.25 H new ATOM 0 HD2 LYS A 55 -0.458 -4.577 -2.897 1.00 62.10 H new ATOM 0 HD3 LYS A 55 -1.153 -3.239 -3.790 1.00 62.10 H new ATOM 0 HE2 LYS A 55 0.500 -3.530 -5.590 1.00 31.24 H new ATOM 0 HE3 LYS A 55 1.310 -4.790 -4.681 1.00 31.24 H new ATOM 0 HZ1 LYS A 55 -0.514 -5.301 -6.511 1.00 13.13 H new ATOM 0 HZ2 LYS A 55 -0.287 -6.301 -5.158 1.00 13.13 H new ATOM 0 HZ3 LYS A 55 -1.548 -5.164 -5.171 1.00 13.13 H new ATOM 829 N SER A 56 0.975 0.668 -4.143 1.00 61.14 N ATOM 830 CA SER A 56 0.770 1.791 -5.053 1.00 14.20 C ATOM 831 C SER A 56 -0.334 1.469 -6.055 1.00 33.41 C ATOM 832 O SER A 56 -0.381 0.367 -6.602 1.00 61.31 O ATOM 833 CB SER A 56 2.070 2.121 -5.793 1.00 42.24 C ATOM 834 OG SER A 56 2.225 1.307 -6.944 1.00 4.04 O ATOM 0 H SER A 56 1.244 -0.202 -4.602 1.00 61.14 H new ATOM 0 HA SER A 56 0.469 2.659 -4.467 1.00 14.20 H new ATOM 0 HB2 SER A 56 2.069 3.171 -6.084 1.00 42.24 H new ATOM 0 HB3 SER A 56 2.919 1.976 -5.125 1.00 42.24 H new ATOM 0 HG SER A 56 3.062 1.539 -7.399 1.00 4.04 H new ATOM 840 N CYS A 57 -1.224 2.430 -6.294 1.00 64.24 N ATOM 841 CA CYS A 57 -2.320 2.216 -7.237 1.00 63.31 C ATOM 842 C CYS A 57 -2.453 3.385 -8.203 1.00 53.51 C ATOM 843 O CYS A 57 -1.735 4.380 -8.096 1.00 2.13 O ATOM 844 CB CYS A 57 -3.642 1.973 -6.484 1.00 44.32 C ATOM 845 SG CYS A 57 -4.650 3.458 -6.115 1.00 74.43 S ATOM 0 H CYS A 57 -1.210 3.351 -5.856 1.00 64.24 H new ATOM 0 HA CYS A 57 -2.090 1.327 -7.824 1.00 63.31 H new ATOM 0 HB2 CYS A 57 -4.249 1.285 -7.072 1.00 44.32 H new ATOM 0 HB3 CYS A 57 -3.413 1.472 -5.543 1.00 44.32 H new ATOM 850 N ARG A 58 -3.380 3.260 -9.143 1.00 31.41 N ATOM 851 CA ARG A 58 -3.613 4.309 -10.124 1.00 62.35 C ATOM 852 C ARG A 58 -4.668 5.283 -9.615 1.00 33.04 C ATOM 853 O ARG A 58 -5.789 4.886 -9.297 1.00 54.43 O ATOM 854 CB ARG A 58 -4.052 3.705 -11.460 1.00 21.10 C ATOM 855 CG ARG A 58 -3.423 2.354 -11.763 1.00 44.23 C ATOM 856 CD ARG A 58 -3.900 1.804 -13.098 1.00 3.11 C ATOM 857 NE ARG A 58 -2.962 2.098 -14.178 1.00 31.04 N ATOM 858 CZ ARG A 58 -1.770 1.517 -14.305 1.00 14.44 C ATOM 859 NH1 ARG A 58 -1.367 0.614 -13.420 1.00 70.32 N ATOM 860 NH2 ARG A 58 -0.980 1.841 -15.320 1.00 52.21 N ATOM 0 H ARG A 58 -3.982 2.443 -9.246 1.00 31.41 H new ATOM 0 HA ARG A 58 -2.680 4.851 -10.278 1.00 62.35 H new ATOM 0 HB2 ARG A 58 -5.137 3.598 -11.460 1.00 21.10 H new ATOM 0 HB3 ARG A 58 -3.801 4.400 -12.261 1.00 21.10 H new ATOM 0 HG2 ARG A 58 -2.337 2.451 -11.775 1.00 44.23 H new ATOM 0 HG3 ARG A 58 -3.671 1.650 -10.969 1.00 44.23 H new ATOM 0 HD2 ARG A 58 -4.034 0.725 -13.018 1.00 3.11 H new ATOM 0 HD3 ARG A 58 -4.874 2.230 -13.338 1.00 3.11 H new ATOM 0 HE ARG A 58 -3.236 2.789 -14.876 1.00 31.04 H new ATOM 0 HH11 ARG A 58 -1.971 0.362 -12.638 1.00 70.32 H new ATOM 0 HH12 ARG A 58 -0.453 0.172 -13.522 1.00 70.32 H new ATOM 0 HH21 ARG A 58 -1.285 2.535 -16.003 1.00 52.21 H new ATOM 0 HH22 ARG A 58 -0.067 1.397 -15.418 1.00 52.21 H new ATOM 874 N SER A 59 -4.303 6.556 -9.532 1.00 52.53 N ATOM 875 CA SER A 59 -5.221 7.581 -9.051 1.00 74.44 C ATOM 876 C SER A 59 -5.786 8.396 -10.209 1.00 41.43 C ATOM 877 O SER A 59 -6.922 8.869 -10.152 1.00 4.30 O ATOM 878 CB SER A 59 -4.508 8.500 -8.060 1.00 45.24 C ATOM 879 OG SER A 59 -5.349 8.816 -6.963 1.00 1.43 O ATOM 0 H SER A 59 -3.380 6.903 -9.791 1.00 52.53 H new ATOM 0 HA SER A 59 -6.051 7.086 -8.547 1.00 74.44 H new ATOM 0 HB2 SER A 59 -3.600 8.017 -7.699 1.00 45.24 H new ATOM 0 HB3 SER A 59 -4.202 9.417 -8.564 1.00 45.24 H new ATOM 0 HG SER A 59 -4.831 9.290 -6.280 1.00 1.43 H new ATOM 885 N ALA A 60 -4.987 8.558 -11.258 1.00 3.34 N ATOM 886 CA ALA A 60 -5.407 9.316 -12.431 1.00 12.12 C ATOM 887 C ALA A 60 -6.616 8.673 -13.106 1.00 72.42 C ATOM 888 O ALA A 60 -7.315 9.317 -13.887 1.00 55.10 O ATOM 889 CB ALA A 60 -4.256 9.441 -13.416 1.00 42.41 C ATOM 0 H ALA A 60 -4.044 8.174 -11.320 1.00 3.34 H new ATOM 0 HA ALA A 60 -5.701 10.312 -12.100 1.00 12.12 H new ATOM 0 HB1 ALA A 60 -4.583 10.009 -14.287 1.00 42.41 H new ATOM 0 HB2 ALA A 60 -3.423 9.956 -12.938 1.00 42.41 H new ATOM 0 HB3 ALA A 60 -3.936 8.447 -13.730 1.00 42.41 H new ATOM 895 N LEU A 61 -6.857 7.400 -12.802 1.00 70.34 N ATOM 896 CA LEU A 61 -7.982 6.677 -13.383 1.00 65.13 C ATOM 897 C LEU A 61 -9.020 6.343 -12.318 1.00 65.11 C ATOM 898 O LEU A 61 -10.218 6.302 -12.596 1.00 12.32 O ATOM 899 CB LEU A 61 -7.494 5.394 -14.060 1.00 64.21 C ATOM 900 CG LEU A 61 -8.216 5.034 -15.361 1.00 62.21 C ATOM 901 CD1 LEU A 61 -7.951 6.087 -16.425 1.00 64.14 C ATOM 902 CD2 LEU A 61 -7.781 3.661 -15.847 1.00 1.32 C ATOM 0 H LEU A 61 -6.289 6.850 -12.158 1.00 70.34 H new ATOM 0 HA LEU A 61 -8.449 7.318 -14.131 1.00 65.13 H new ATOM 0 HB2 LEU A 61 -6.429 5.494 -14.269 1.00 64.21 H new ATOM 0 HB3 LEU A 61 -7.605 4.566 -13.359 1.00 64.21 H new ATOM 0 HG LEU A 61 -9.288 5.006 -15.166 1.00 62.21 H new ATOM 0 HD11 LEU A 61 -8.472 5.815 -17.343 1.00 64.14 H new ATOM 0 HD12 LEU A 61 -8.311 7.055 -16.076 1.00 64.14 H new ATOM 0 HD13 LEU A 61 -6.880 6.147 -16.619 1.00 64.14 H new ATOM 0 HD21 LEU A 61 -8.304 3.420 -16.773 1.00 1.32 H new ATOM 0 HD22 LEU A 61 -6.706 3.663 -16.027 1.00 1.32 H new ATOM 0 HD23 LEU A 61 -8.021 2.914 -15.090 1.00 1.32 H new ATOM 914 N MET A 62 -8.552 6.105 -11.096 1.00 5.12 N ATOM 915 CA MET A 62 -9.443 5.777 -9.990 1.00 74.32 C ATOM 916 C MET A 62 -10.434 6.908 -9.742 1.00 42.24 C ATOM 917 O MET A 62 -11.647 6.718 -9.837 1.00 43.24 O ATOM 918 CB MET A 62 -8.636 5.504 -8.719 1.00 42.54 C ATOM 919 CG MET A 62 -8.278 4.039 -8.524 1.00 24.05 C ATOM 920 SD MET A 62 -9.730 2.978 -8.405 1.00 44.21 S ATOM 921 CE MET A 62 -9.600 2.051 -9.931 1.00 45.45 C ATOM 0 H MET A 62 -7.563 6.133 -10.848 1.00 5.12 H new ATOM 0 HA MET A 62 -9.999 4.879 -10.257 1.00 74.32 H new ATOM 0 HB2 MET A 62 -7.719 6.092 -8.749 1.00 42.54 H new ATOM 0 HB3 MET A 62 -9.207 5.847 -7.856 1.00 42.54 H new ATOM 0 HG2 MET A 62 -7.658 3.707 -9.356 1.00 24.05 H new ATOM 0 HG3 MET A 62 -7.680 3.933 -7.619 1.00 24.05 H new ATOM 0 HE1 MET A 62 -10.571 1.625 -10.182 1.00 45.45 H new ATOM 0 HE2 MET A 62 -9.277 2.714 -10.733 1.00 45.45 H new ATOM 0 HE3 MET A 62 -8.872 1.249 -9.809 1.00 45.45 H new ATOM 931 N GLU A 63 -9.907 8.087 -9.427 1.00 3.04 N ATOM 932 CA GLU A 63 -10.741 9.254 -9.169 1.00 74.33 C ATOM 933 C GLU A 63 -9.965 10.539 -9.435 1.00 21.00 C ATOM 934 O GLU A 63 -9.319 11.084 -8.541 1.00 12.42 O ATOM 935 CB GLU A 63 -11.246 9.237 -7.724 1.00 2.00 C ATOM 936 CG GLU A 63 -12.170 8.070 -7.416 1.00 1.04 C ATOM 937 CD GLU A 63 -13.087 8.347 -6.242 1.00 52.00 C ATOM 938 OE1 GLU A 63 -13.800 9.373 -6.273 1.00 61.50 O ATOM 939 OE2 GLU A 63 -13.095 7.538 -5.290 1.00 34.25 O ATOM 0 H GLU A 63 -8.905 8.259 -9.344 1.00 3.04 H new ATOM 0 HA GLU A 63 -11.596 9.219 -9.844 1.00 74.33 H new ATOM 0 HB2 GLU A 63 -10.391 9.200 -7.049 1.00 2.00 H new ATOM 0 HB3 GLU A 63 -11.772 10.170 -7.521 1.00 2.00 H new ATOM 0 HG2 GLU A 63 -12.771 7.845 -8.297 1.00 1.04 H new ATOM 0 HG3 GLU A 63 -11.572 7.184 -7.204 1.00 1.04 H new ATOM 946 N GLN A 64 -10.033 11.018 -10.674 1.00 63.01 N ATOM 947 CA GLN A 64 -9.334 12.239 -11.061 1.00 12.32 C ATOM 948 C GLN A 64 -10.293 13.231 -11.711 1.00 51.11 C ATOM 949 O GLN A 64 -10.344 13.350 -12.935 1.00 44.52 O ATOM 950 CB GLN A 64 -8.188 11.912 -12.021 1.00 13.05 C ATOM 951 CG GLN A 64 -6.970 12.802 -11.838 1.00 33.12 C ATOM 952 CD GLN A 64 -6.297 12.601 -10.495 1.00 42.03 C ATOM 953 OE1 GLN A 64 -5.446 11.724 -10.340 1.00 0.22 O ATOM 954 NE2 GLN A 64 -6.675 13.413 -9.515 1.00 75.32 N ATOM 0 H GLN A 64 -10.564 10.580 -11.426 1.00 63.01 H new ATOM 0 HA GLN A 64 -8.924 12.696 -10.160 1.00 12.32 H new ATOM 0 HB2 GLN A 64 -7.893 10.872 -11.880 1.00 13.05 H new ATOM 0 HB3 GLN A 64 -8.546 12.006 -13.046 1.00 13.05 H new ATOM 0 HG2 GLN A 64 -6.253 12.598 -12.633 1.00 33.12 H new ATOM 0 HG3 GLN A 64 -7.269 13.845 -11.938 1.00 33.12 H new ATOM 0 HE21 GLN A 64 -7.384 14.126 -9.688 1.00 75.32 H new ATOM 0 HE22 GLN A 64 -6.257 13.324 -8.589 1.00 75.32 H new ATOM 963 N ARG A 65 -11.051 13.941 -10.882 1.00 1.31 N ATOM 964 CA ARG A 65 -12.009 14.925 -11.377 1.00 12.02 C ATOM 965 C ARG A 65 -11.297 16.185 -11.856 1.00 24.24 C ATOM 966 O ARG A 65 -11.841 16.869 -12.748 1.00 37.68 O ATOM 967 CB ARG A 65 -13.017 15.279 -10.282 1.00 33.23 C ATOM 968 CG ARG A 65 -14.424 15.519 -10.805 1.00 14.11 C ATOM 969 CD ARG A 65 -15.474 15.058 -9.808 1.00 62.15 C ATOM 970 NE ARG A 65 -16.643 14.483 -10.470 1.00 3.32 N ATOM 971 CZ ARG A 65 -17.608 15.206 -11.033 1.00 41.20 C ATOM 972 NH1 ARG A 65 -17.548 16.533 -11.017 1.00 75.33 N ATOM 973 NH2 ARG A 65 -18.636 14.603 -11.614 1.00 31.30 N ATOM 974 OXT ARG A 65 -10.200 16.479 -11.334 1.00 37.68 O ATOM 0 H ARG A 65 -11.021 13.854 -9.866 1.00 1.31 H new ATOM 0 HA ARG A 65 -12.539 14.487 -12.223 1.00 12.02 H new ATOM 0 HB2 ARG A 65 -13.043 14.472 -9.549 1.00 33.23 H new ATOM 0 HB3 ARG A 65 -12.675 16.173 -9.760 1.00 33.23 H new ATOM 0 HG2 ARG A 65 -14.560 16.580 -11.014 1.00 14.11 H new ATOM 0 HG3 ARG A 65 -14.558 14.989 -11.748 1.00 14.11 H new ATOM 0 HD2 ARG A 65 -15.037 14.318 -9.137 1.00 62.15 H new ATOM 0 HD3 ARG A 65 -15.785 15.902 -9.192 1.00 62.15 H new ATOM 0 HE ARG A 65 -16.724 13.467 -10.502 1.00 3.32 H new ATOM 0 HH11 ARG A 65 -16.760 17.003 -10.572 1.00 75.33 H new ATOM 0 HH12 ARG A 65 -18.290 17.082 -11.450 1.00 75.33 H new ATOM 0 HH21 ARG A 65 -18.687 13.584 -11.630 1.00 31.30 H new ATOM 0 HH22 ARG A 65 -19.375 15.158 -12.045 1.00 31.30 H new TER 988 ARG A 65