USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 618 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 27 GLN : amide:sc= -0.267 K(o=0.12,f=1.5) USER MOD Set 1.2: A 69 ASN : amide:sc= -0.0632 K(o=0.12,f=-1.7!) USER MOD Set 1.3: A 70 THR OG1 : rot 180:sc= 0.452 USER MOD Set 2.1: A 50 GLN : amide:sc= 0.116 X(o=1,f=0.96) USER MOD Set 2.2: A 64 TYR OH : rot 100:sc= 0.915 USER MOD Set 3.1: A 24 THR OG1 : rot -67:sc= 2.25 USER MOD Set 3.2: A 26 THR OG1 : rot -94:sc= 0.79 USER MOD Set 4.1: A 11 GLN : amide:sc= 0.0576 K(o=0.11,f=-0.53) USER MOD Set 4.2: A 15 SER OG : rot -129:sc= 0.0571 USER MOD Single : A 1 SER N :NH3+ 149:sc= 0.00351 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00318 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00019 USER MOD Single : A 13 MET CE :methyl 155:sc= -0.234 (180deg=-1.01) USER MOD Single : A 14 ASN : amide:sc= -0.369 K(o=-0.37,f=-7.3!) USER MOD Single : A 18 GLN : amide:sc= -0.443 K(o=-0.44,f=-1.4) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.0088) USER MOD Single : A 30 TYR OH : rot -93:sc= 0.175 USER MOD Single : A 31 SER OG : rot -100:sc= 1.32 USER MOD Single : A 40 SER OG : rot 118:sc= 1.06 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00536) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 74:sc= 1.21 USER MOD Single : A 58 GLN : amide:sc=-0.00135 K(o=-0.0013,f=-0.87) USER MOD Single : A 60 THR OG1 : rot -72:sc= 1.19 USER MOD Single : A 65 GLN : amide:sc= -4.88! K(o=-4.9!,f=-0.68) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 140:sc= -2.04! USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= -0.0454 (180deg=-0.356) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.631 -5.717 -9.428 1.00 2.75 N ATOM 2 CA SER A 1 -10.266 -5.220 -8.089 1.00 2.38 C ATOM 3 C SER A 1 -9.435 -6.261 -7.350 1.00 1.65 C ATOM 4 O SER A 1 -9.975 -7.150 -6.691 1.00 1.91 O ATOM 5 CB SER A 1 -11.531 -4.887 -7.294 1.00 2.96 C ATOM 6 OG SER A 1 -12.314 -3.907 -7.962 1.00 3.75 O ATOM 0 H1 SER A 1 -11.551 -5.320 -9.707 1.00 2.75 H new ATOM 0 H2 SER A 1 -9.906 -5.427 -10.115 1.00 2.75 H new ATOM 0 H3 SER A 1 -10.694 -6.755 -9.408 1.00 2.75 H new ATOM 0 HA SER A 1 -9.670 -4.314 -8.198 1.00 2.38 H new ATOM 0 HB2 SER A 1 -12.122 -5.792 -7.149 1.00 2.96 H new ATOM 0 HB3 SER A 1 -11.256 -4.524 -6.304 1.00 2.96 H new ATOM 0 HG SER A 1 -13.117 -3.714 -7.434 1.00 3.75 H new ATOM 14 N GLN A 2 -8.119 -6.156 -7.477 1.00 1.37 N ATOM 15 CA GLN A 2 -7.214 -7.112 -6.858 1.00 0.95 C ATOM 16 C GLN A 2 -6.304 -6.413 -5.857 1.00 0.75 C ATOM 17 O GLN A 2 -6.131 -5.195 -5.903 1.00 0.86 O ATOM 18 CB GLN A 2 -6.367 -7.816 -7.926 1.00 1.47 C ATOM 19 CG GLN A 2 -5.410 -6.885 -8.656 1.00 2.07 C ATOM 20 CD GLN A 2 -4.522 -7.616 -9.645 1.00 2.71 C ATOM 21 OE1 GLN A 2 -4.867 -7.760 -10.817 1.00 3.23 O ATOM 22 NE2 GLN A 2 -3.372 -8.080 -9.180 1.00 3.34 N ATOM 0 H GLN A 2 -7.655 -5.417 -8.004 1.00 1.37 H new ATOM 0 HA GLN A 2 -7.812 -7.857 -6.332 1.00 0.95 H new ATOM 0 HB2 GLN A 2 -5.795 -8.615 -7.455 1.00 1.47 H new ATOM 0 HB3 GLN A 2 -7.030 -8.285 -8.653 1.00 1.47 H new ATOM 0 HG2 GLN A 2 -5.983 -6.122 -9.183 1.00 2.07 H new ATOM 0 HG3 GLN A 2 -4.786 -6.368 -7.927 1.00 2.07 H new ATOM 0 HE21 GLN A 2 -3.124 -7.939 -8.201 1.00 3.34 H new ATOM 0 HE22 GLN A 2 -2.735 -8.578 -9.801 1.00 3.34 H new ATOM 31 N GLU A 3 -5.735 -7.189 -4.949 1.00 0.57 N ATOM 32 CA GLU A 3 -4.765 -6.676 -3.996 1.00 0.47 C ATOM 33 C GLU A 3 -3.553 -7.595 -3.959 1.00 0.42 C ATOM 34 O GLU A 3 -3.542 -8.641 -4.612 1.00 0.50 O ATOM 35 CB GLU A 3 -5.387 -6.539 -2.605 1.00 0.58 C ATOM 36 CG GLU A 3 -6.542 -5.549 -2.558 1.00 0.70 C ATOM 37 CD GLU A 3 -6.911 -5.139 -1.150 1.00 1.26 C ATOM 38 OE1 GLU A 3 -7.663 -5.886 -0.486 1.00 1.35 O ATOM 39 OE2 GLU A 3 -6.445 -4.081 -0.691 1.00 1.99 O ATOM 0 H GLU A 3 -5.931 -8.185 -4.852 1.00 0.57 H new ATOM 0 HA GLU A 3 -4.447 -5.683 -4.314 1.00 0.47 H new ATOM 0 HB2 GLU A 3 -5.741 -7.516 -2.275 1.00 0.58 H new ATOM 0 HB3 GLU A 3 -4.618 -6.223 -1.900 1.00 0.58 H new ATOM 0 HG2 GLU A 3 -6.276 -4.661 -3.131 1.00 0.70 H new ATOM 0 HG3 GLU A 3 -7.413 -5.992 -3.042 1.00 0.70 H new ATOM 46 N TRP A 4 -2.545 -7.219 -3.191 1.00 0.36 N ATOM 47 CA TRP A 4 -1.281 -7.939 -3.198 1.00 0.38 C ATOM 48 C TRP A 4 -0.881 -8.357 -1.795 1.00 0.34 C ATOM 49 O TRP A 4 -1.179 -7.664 -0.823 1.00 0.34 O ATOM 50 CB TRP A 4 -0.176 -7.074 -3.814 1.00 0.45 C ATOM 51 CG TRP A 4 -0.320 -6.895 -5.291 1.00 0.57 C ATOM 52 CD1 TRP A 4 0.127 -7.741 -6.262 1.00 1.00 C ATOM 53 CD2 TRP A 4 -0.953 -5.802 -5.971 1.00 0.51 C ATOM 54 NE1 TRP A 4 -0.192 -7.248 -7.502 1.00 1.17 N ATOM 55 CE2 TRP A 4 -0.853 -6.057 -7.351 1.00 0.84 C ATOM 56 CE3 TRP A 4 -1.597 -4.637 -5.547 1.00 0.53 C ATOM 57 CZ2 TRP A 4 -1.371 -5.189 -8.309 1.00 0.89 C ATOM 58 CZ3 TRP A 4 -2.109 -3.774 -6.498 1.00 0.60 C ATOM 59 CH2 TRP A 4 -1.992 -4.054 -7.863 1.00 0.65 C ATOM 0 H TRP A 4 -2.576 -6.422 -2.556 1.00 0.36 H new ATOM 0 HA TRP A 4 -1.413 -8.837 -3.802 1.00 0.38 H new ATOM 0 HB2 TRP A 4 -0.180 -6.095 -3.334 1.00 0.45 H new ATOM 0 HB3 TRP A 4 0.792 -7.528 -3.603 1.00 0.45 H new ATOM 0 HD1 TRP A 4 0.656 -8.665 -6.081 1.00 1.00 H new ATOM 0 HE1 TRP A 4 0.027 -7.695 -8.392 1.00 1.17 H new ATOM 0 HE3 TRP A 4 -1.693 -4.414 -4.495 1.00 0.53 H new ATOM 0 HZ2 TRP A 4 -1.286 -5.403 -9.364 1.00 0.89 H new ATOM 0 HZ3 TRP A 4 -2.607 -2.869 -6.182 1.00 0.60 H new ATOM 0 HH2 TRP A 4 -2.401 -3.359 -8.581 1.00 0.65 H new ATOM 70 N THR A 5 -0.192 -9.483 -1.702 1.00 0.37 N ATOM 71 CA THR A 5 0.315 -9.961 -0.432 1.00 0.39 C ATOM 72 C THR A 5 1.709 -9.384 -0.215 1.00 0.35 C ATOM 73 O THR A 5 2.678 -9.814 -0.843 1.00 0.44 O ATOM 74 CB THR A 5 0.370 -11.502 -0.386 1.00 0.55 C ATOM 75 OG1 THR A 5 -0.930 -12.043 -0.665 1.00 1.13 O ATOM 76 CG2 THR A 5 0.841 -11.993 0.974 1.00 1.11 C ATOM 0 H THR A 5 0.028 -10.083 -2.497 1.00 0.37 H new ATOM 0 HA THR A 5 -0.359 -9.635 0.360 1.00 0.39 H new ATOM 0 HB THR A 5 1.081 -11.839 -1.140 1.00 0.55 H new ATOM 0 HG1 THR A 5 -0.890 -13.022 -0.636 1.00 1.13 H new ATOM 0 HG21 THR A 5 0.870 -13.083 0.977 1.00 1.11 H new ATOM 0 HG22 THR A 5 1.838 -11.603 1.176 1.00 1.11 H new ATOM 0 HG23 THR A 5 0.153 -11.646 1.745 1.00 1.11 H new ATOM 84 N LEU A 6 1.792 -8.385 0.647 1.00 0.30 N ATOM 85 CA LEU A 6 3.012 -7.616 0.815 1.00 0.34 C ATOM 86 C LEU A 6 3.553 -7.754 2.227 1.00 0.42 C ATOM 87 O LEU A 6 2.878 -7.400 3.193 1.00 0.75 O ATOM 88 CB LEU A 6 2.729 -6.143 0.511 1.00 0.42 C ATOM 89 CG LEU A 6 2.124 -5.877 -0.869 1.00 0.47 C ATOM 90 CD1 LEU A 6 1.596 -4.454 -0.956 1.00 0.66 C ATOM 91 CD2 LEU A 6 3.158 -6.129 -1.959 1.00 0.53 C ATOM 0 H LEU A 6 1.022 -8.086 1.245 1.00 0.30 H new ATOM 0 HA LEU A 6 3.763 -8.000 0.124 1.00 0.34 H new ATOM 0 HB2 LEU A 6 2.051 -5.754 1.271 1.00 0.42 H new ATOM 0 HB3 LEU A 6 3.660 -5.583 0.598 1.00 0.42 H new ATOM 0 HG LEU A 6 1.289 -6.562 -1.017 1.00 0.47 H new ATOM 0 HD11 LEU A 6 1.170 -4.284 -1.945 1.00 0.66 H new ATOM 0 HD12 LEU A 6 0.827 -4.304 -0.198 1.00 0.66 H new ATOM 0 HD13 LEU A 6 2.413 -3.752 -0.787 1.00 0.66 H new ATOM 0 HD21 LEU A 6 2.713 -5.936 -2.935 1.00 0.53 H new ATOM 0 HD22 LEU A 6 4.011 -5.466 -1.812 1.00 0.53 H new ATOM 0 HD23 LEU A 6 3.491 -7.166 -1.912 1.00 0.53 H new ATOM 103 N ASP A 7 4.753 -8.300 2.345 1.00 0.38 N ATOM 104 CA ASP A 7 5.458 -8.331 3.619 1.00 0.44 C ATOM 105 C ASP A 7 6.407 -7.145 3.681 1.00 0.39 C ATOM 106 O ASP A 7 7.505 -7.184 3.124 1.00 0.46 O ATOM 107 CB ASP A 7 6.239 -9.638 3.792 1.00 0.58 C ATOM 108 CG ASP A 7 5.345 -10.863 3.867 1.00 1.30 C ATOM 109 OD1 ASP A 7 4.783 -11.136 4.951 1.00 1.67 O ATOM 110 OD2 ASP A 7 5.207 -11.570 2.844 1.00 2.12 O ATOM 0 H ASP A 7 5.261 -8.729 1.572 1.00 0.38 H new ATOM 0 HA ASP A 7 4.729 -8.273 4.428 1.00 0.44 H new ATOM 0 HB2 ASP A 7 6.932 -9.753 2.959 1.00 0.58 H new ATOM 0 HB3 ASP A 7 6.839 -9.578 4.700 1.00 0.58 H new ATOM 115 N ILE A 8 5.976 -6.089 4.351 1.00 0.35 N ATOM 116 CA ILE A 8 6.725 -4.842 4.377 1.00 0.32 C ATOM 117 C ILE A 8 7.506 -4.695 5.682 1.00 0.30 C ATOM 118 O ILE A 8 6.926 -4.703 6.771 1.00 0.35 O ATOM 119 CB ILE A 8 5.780 -3.635 4.173 1.00 0.37 C ATOM 120 CG1 ILE A 8 5.140 -3.698 2.779 1.00 0.52 C ATOM 121 CG2 ILE A 8 6.519 -2.317 4.365 1.00 0.44 C ATOM 122 CD1 ILE A 8 6.142 -3.645 1.643 1.00 0.91 C ATOM 0 H ILE A 8 5.108 -6.070 4.886 1.00 0.35 H new ATOM 0 HA ILE A 8 7.442 -4.865 3.556 1.00 0.32 H new ATOM 0 HB ILE A 8 4.993 -3.686 4.926 1.00 0.37 H new ATOM 0 HG12 ILE A 8 4.560 -4.617 2.697 1.00 0.52 H new ATOM 0 HG13 ILE A 8 4.440 -2.869 2.673 1.00 0.52 H new ATOM 0 HG21 ILE A 8 5.828 -1.487 4.215 1.00 0.44 H new ATOM 0 HG22 ILE A 8 6.926 -2.272 5.375 1.00 0.44 H new ATOM 0 HG23 ILE A 8 7.332 -2.247 3.642 1.00 0.44 H new ATOM 0 HD11 ILE A 8 5.615 -3.694 0.690 1.00 0.91 H new ATOM 0 HD12 ILE A 8 6.706 -2.714 1.698 1.00 0.91 H new ATOM 0 HD13 ILE A 8 6.827 -4.489 1.723 1.00 0.91 H new ATOM 134 N PRO A 9 8.846 -4.585 5.570 1.00 0.26 N ATOM 135 CA PRO A 9 9.752 -4.442 6.720 1.00 0.26 C ATOM 136 C PRO A 9 9.458 -3.215 7.579 1.00 0.27 C ATOM 137 O PRO A 9 8.868 -2.237 7.119 1.00 0.32 O ATOM 138 CB PRO A 9 11.134 -4.298 6.069 1.00 0.29 C ATOM 139 CG PRO A 9 10.989 -4.923 4.728 1.00 0.35 C ATOM 140 CD PRO A 9 9.588 -4.618 4.297 1.00 0.29 C ATOM 0 HA PRO A 9 9.655 -5.288 7.400 1.00 0.26 H new ATOM 0 HB2 PRO A 9 11.426 -3.251 5.988 1.00 0.29 H new ATOM 0 HB3 PRO A 9 11.903 -4.799 6.658 1.00 0.29 H new ATOM 0 HG2 PRO A 9 11.714 -4.515 4.024 1.00 0.35 H new ATOM 0 HG3 PRO A 9 11.160 -5.998 4.775 1.00 0.35 H new ATOM 0 HD2 PRO A 9 9.527 -3.666 3.770 1.00 0.29 H new ATOM 0 HD3 PRO A 9 9.198 -5.381 3.623 1.00 0.29 H new ATOM 148 N ALA A 10 9.908 -3.274 8.827 1.00 0.30 N ATOM 149 CA ALA A 10 9.739 -2.176 9.774 1.00 0.33 C ATOM 150 C ALA A 10 11.100 -1.637 10.177 1.00 0.35 C ATOM 151 O ALA A 10 11.316 -1.201 11.312 1.00 0.43 O ATOM 152 CB ALA A 10 8.948 -2.630 10.991 1.00 0.41 C ATOM 0 H ALA A 10 10.399 -4.081 9.211 1.00 0.30 H new ATOM 0 HA ALA A 10 9.174 -1.377 9.295 1.00 0.33 H new ATOM 0 HB1 ALA A 10 8.834 -1.796 11.683 1.00 0.41 H new ATOM 0 HB2 ALA A 10 7.964 -2.977 10.676 1.00 0.41 H new ATOM 0 HB3 ALA A 10 9.478 -3.443 11.487 1.00 0.41 H new ATOM 158 N GLN A 11 12.022 -1.712 9.236 1.00 0.34 N ATOM 159 CA GLN A 11 13.348 -1.151 9.396 1.00 0.40 C ATOM 160 C GLN A 11 13.401 0.195 8.685 1.00 0.35 C ATOM 161 O GLN A 11 12.394 0.902 8.630 1.00 0.37 O ATOM 162 CB GLN A 11 14.387 -2.120 8.820 1.00 0.53 C ATOM 163 CG GLN A 11 14.135 -2.487 7.366 1.00 0.96 C ATOM 164 CD GLN A 11 15.140 -3.485 6.828 1.00 0.90 C ATOM 165 OE1 GLN A 11 16.197 -3.108 6.321 1.00 1.61 O ATOM 166 NE2 GLN A 11 14.815 -4.764 6.925 1.00 0.90 N ATOM 0 H GLN A 11 11.870 -2.166 8.335 1.00 0.34 H new ATOM 0 HA GLN A 11 13.573 -1.001 10.452 1.00 0.40 H new ATOM 0 HB2 GLN A 11 15.377 -1.672 8.907 1.00 0.53 H new ATOM 0 HB3 GLN A 11 14.395 -3.030 9.420 1.00 0.53 H new ATOM 0 HG2 GLN A 11 13.131 -2.901 7.270 1.00 0.96 H new ATOM 0 HG3 GLN A 11 14.166 -1.583 6.758 1.00 0.96 H new ATOM 0 HE21 GLN A 11 13.929 -5.034 7.352 1.00 0.90 H new ATOM 0 HE22 GLN A 11 15.450 -5.480 6.573 1.00 0.90 H new ATOM 175 N SER A 12 14.560 0.552 8.156 1.00 0.38 N ATOM 176 CA SER A 12 14.697 1.765 7.362 1.00 0.40 C ATOM 177 C SER A 12 13.648 1.800 6.243 1.00 0.36 C ATOM 178 O SER A 12 13.461 0.820 5.516 1.00 0.34 O ATOM 179 CB SER A 12 16.105 1.823 6.766 1.00 0.50 C ATOM 180 OG SER A 12 17.090 1.650 7.776 1.00 1.30 O ATOM 0 H SER A 12 15.423 0.018 8.262 1.00 0.38 H new ATOM 0 HA SER A 12 14.537 2.631 8.005 1.00 0.40 H new ATOM 0 HB2 SER A 12 16.216 1.048 6.008 1.00 0.50 H new ATOM 0 HB3 SER A 12 16.254 2.781 6.267 1.00 0.50 H new ATOM 0 HG SER A 12 17.982 1.689 7.373 1.00 1.30 H new ATOM 186 N MET A 13 12.952 2.938 6.149 1.00 0.42 N ATOM 187 CA MET A 13 11.904 3.167 5.150 1.00 0.46 C ATOM 188 C MET A 13 12.393 2.821 3.745 1.00 0.42 C ATOM 189 O MET A 13 11.614 2.400 2.889 1.00 0.45 O ATOM 190 CB MET A 13 11.469 4.637 5.190 1.00 0.61 C ATOM 191 CG MET A 13 10.280 4.957 4.297 1.00 0.68 C ATOM 192 SD MET A 13 8.712 4.403 4.991 1.00 1.29 S ATOM 193 CE MET A 13 8.614 5.441 6.449 1.00 1.00 C ATOM 0 H MET A 13 13.102 3.733 6.770 1.00 0.42 H new ATOM 0 HA MET A 13 11.060 2.520 5.388 1.00 0.46 H new ATOM 0 HB2 MET A 13 11.220 4.903 6.217 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.311 5.262 4.893 1.00 0.61 H new ATOM 0 HG2 MET A 13 10.237 6.033 4.129 1.00 0.68 H new ATOM 0 HG3 MET A 13 10.427 4.488 3.324 1.00 0.68 H new ATOM 0 HE1 MET A 13 7.570 5.564 6.739 1.00 1.00 H new ATOM 0 HE2 MET A 13 9.165 4.974 7.266 1.00 1.00 H new ATOM 0 HE3 MET A 13 9.047 6.417 6.230 1.00 1.00 H new ATOM 203 N ASN A 14 13.690 3.024 3.528 1.00 0.41 N ATOM 204 CA ASN A 14 14.341 2.724 2.255 1.00 0.45 C ATOM 205 C ASN A 14 14.068 1.279 1.841 1.00 0.41 C ATOM 206 O ASN A 14 13.798 0.996 0.674 1.00 0.47 O ATOM 207 CB ASN A 14 15.864 2.946 2.353 1.00 0.52 C ATOM 208 CG ASN A 14 16.260 4.283 2.972 1.00 1.32 C ATOM 209 OD1 ASN A 14 15.583 4.806 3.856 1.00 2.26 O ATOM 210 ND2 ASN A 14 17.372 4.845 2.520 1.00 1.85 N ATOM 0 H ASN A 14 14.322 3.403 4.233 1.00 0.41 H new ATOM 0 HA ASN A 14 13.930 3.399 1.504 1.00 0.45 H new ATOM 0 HB2 ASN A 14 16.300 2.141 2.944 1.00 0.52 H new ATOM 0 HB3 ASN A 14 16.295 2.878 1.354 1.00 0.52 H new ATOM 0 HD21 ASN A 14 17.687 5.735 2.906 1.00 1.85 H new ATOM 0 HD22 ASN A 14 17.913 4.388 1.786 1.00 1.85 H new ATOM 217 N SER A 15 14.108 0.373 2.815 1.00 0.36 N ATOM 218 CA SER A 15 13.941 -1.049 2.555 1.00 0.36 C ATOM 219 C SER A 15 12.477 -1.369 2.287 1.00 0.32 C ATOM 220 O SER A 15 12.154 -2.136 1.384 1.00 0.32 O ATOM 221 CB SER A 15 14.438 -1.856 3.757 1.00 0.38 C ATOM 222 OG SER A 15 15.690 -1.366 4.212 1.00 1.20 O ATOM 0 H SER A 15 14.256 0.604 3.797 1.00 0.36 H new ATOM 0 HA SER A 15 14.525 -1.317 1.674 1.00 0.36 H new ATOM 0 HB2 SER A 15 13.707 -1.802 4.564 1.00 0.38 H new ATOM 0 HB3 SER A 15 14.532 -2.906 3.481 1.00 0.38 H new ATOM 0 HG SER A 15 16.323 -2.110 4.293 1.00 1.20 H new ATOM 228 N ALA A 16 11.599 -0.760 3.075 1.00 0.31 N ATOM 229 CA ALA A 16 10.167 -0.980 2.946 1.00 0.32 C ATOM 230 C ALA A 16 9.656 -0.526 1.583 1.00 0.30 C ATOM 231 O ALA A 16 8.897 -1.241 0.925 1.00 0.29 O ATOM 232 CB ALA A 16 9.423 -0.259 4.056 1.00 0.38 C ATOM 0 H ALA A 16 11.858 -0.106 3.814 1.00 0.31 H new ATOM 0 HA ALA A 16 9.982 -2.051 3.032 1.00 0.32 H new ATOM 0 HB1 ALA A 16 8.352 -0.432 3.948 1.00 0.38 H new ATOM 0 HB2 ALA A 16 9.756 -0.637 5.023 1.00 0.38 H new ATOM 0 HB3 ALA A 16 9.626 0.810 3.995 1.00 0.38 H new ATOM 238 N LEU A 17 10.087 0.657 1.155 1.00 0.31 N ATOM 239 CA LEU A 17 9.663 1.209 -0.126 1.00 0.33 C ATOM 240 C LEU A 17 10.174 0.357 -1.283 1.00 0.32 C ATOM 241 O LEU A 17 9.417 0.007 -2.188 1.00 0.35 O ATOM 242 CB LEU A 17 10.151 2.652 -0.276 1.00 0.38 C ATOM 243 CG LEU A 17 9.575 3.638 0.743 1.00 0.46 C ATOM 244 CD1 LEU A 17 10.149 5.026 0.518 1.00 0.92 C ATOM 245 CD2 LEU A 17 8.057 3.673 0.656 1.00 0.73 C ATOM 0 H LEU A 17 10.730 1.252 1.678 1.00 0.31 H new ATOM 0 HA LEU A 17 8.573 1.203 -0.151 1.00 0.33 H new ATOM 0 HB2 LEU A 17 11.238 2.662 -0.195 1.00 0.38 H new ATOM 0 HB3 LEU A 17 9.903 3.002 -1.278 1.00 0.38 H new ATOM 0 HG LEU A 17 9.854 3.302 1.742 1.00 0.46 H new ATOM 0 HD11 LEU A 17 9.730 5.716 1.250 1.00 0.92 H new ATOM 0 HD12 LEU A 17 11.233 4.994 0.629 1.00 0.92 H new ATOM 0 HD13 LEU A 17 9.897 5.366 -0.487 1.00 0.92 H new ATOM 0 HD21 LEU A 17 7.667 4.380 1.388 1.00 0.73 H new ATOM 0 HD22 LEU A 17 7.757 3.984 -0.345 1.00 0.73 H new ATOM 0 HD23 LEU A 17 7.658 2.680 0.862 1.00 0.73 H new ATOM 257 N GLN A 18 11.454 0.013 -1.239 1.00 0.34 N ATOM 258 CA GLN A 18 12.066 -0.800 -2.286 1.00 0.39 C ATOM 259 C GLN A 18 11.393 -2.173 -2.356 1.00 0.33 C ATOM 260 O GLN A 18 11.138 -2.694 -3.446 1.00 0.34 O ATOM 261 CB GLN A 18 13.573 -0.939 -2.020 1.00 0.49 C ATOM 262 CG GLN A 18 14.388 -1.376 -3.231 1.00 1.07 C ATOM 263 CD GLN A 18 14.311 -2.866 -3.509 1.00 1.51 C ATOM 264 OE1 GLN A 18 14.195 -3.680 -2.591 1.00 2.06 O ATOM 265 NE2 GLN A 18 14.360 -3.232 -4.780 1.00 2.19 N ATOM 0 H GLN A 18 12.091 0.284 -0.490 1.00 0.34 H new ATOM 0 HA GLN A 18 11.927 -0.309 -3.249 1.00 0.39 H new ATOM 0 HB2 GLN A 18 13.957 0.017 -1.665 1.00 0.49 H new ATOM 0 HB3 GLN A 18 13.723 -1.660 -1.217 1.00 0.49 H new ATOM 0 HG2 GLN A 18 14.039 -0.832 -4.109 1.00 1.07 H new ATOM 0 HG3 GLN A 18 15.430 -1.097 -3.077 1.00 1.07 H new ATOM 0 HE21 GLN A 18 14.457 -2.527 -5.510 1.00 2.19 H new ATOM 0 HE22 GLN A 18 14.301 -4.219 -5.029 1.00 2.19 H new ATOM 274 N ALA A 19 11.076 -2.731 -1.193 1.00 0.29 N ATOM 275 CA ALA A 19 10.399 -4.025 -1.124 1.00 0.28 C ATOM 276 C ALA A 19 9.002 -3.942 -1.727 1.00 0.26 C ATOM 277 O ALA A 19 8.550 -4.870 -2.399 1.00 0.28 O ATOM 278 CB ALA A 19 10.322 -4.514 0.314 1.00 0.31 C ATOM 0 H ALA A 19 11.276 -2.310 -0.286 1.00 0.29 H new ATOM 0 HA ALA A 19 10.982 -4.739 -1.705 1.00 0.28 H new ATOM 0 HB1 ALA A 19 9.815 -5.478 0.344 1.00 0.31 H new ATOM 0 HB2 ALA A 19 11.329 -4.621 0.716 1.00 0.31 H new ATOM 0 HB3 ALA A 19 9.767 -3.793 0.914 1.00 0.31 H new ATOM 284 N LEU A 20 8.329 -2.818 -1.498 1.00 0.27 N ATOM 285 CA LEU A 20 6.990 -2.598 -2.023 1.00 0.32 C ATOM 286 C LEU A 20 7.035 -2.488 -3.544 1.00 0.33 C ATOM 287 O LEU A 20 6.197 -3.049 -4.259 1.00 0.36 O ATOM 288 CB LEU A 20 6.403 -1.322 -1.417 1.00 0.38 C ATOM 289 CG LEU A 20 4.988 -0.962 -1.877 1.00 0.58 C ATOM 290 CD1 LEU A 20 4.001 -2.040 -1.467 1.00 1.03 C ATOM 291 CD2 LEU A 20 4.568 0.380 -1.304 1.00 0.95 C ATOM 0 H LEU A 20 8.695 -2.041 -0.947 1.00 0.27 H new ATOM 0 HA LEU A 20 6.356 -3.443 -1.754 1.00 0.32 H new ATOM 0 HB2 LEU A 20 6.398 -1.425 -0.332 1.00 0.38 H new ATOM 0 HB3 LEU A 20 7.066 -0.490 -1.655 1.00 0.38 H new ATOM 0 HG LEU A 20 4.991 -0.891 -2.965 1.00 0.58 H new ATOM 0 HD11 LEU A 20 3.001 -1.765 -1.803 1.00 1.03 H new ATOM 0 HD12 LEU A 20 4.289 -2.988 -1.921 1.00 1.03 H new ATOM 0 HD13 LEU A 20 4.003 -2.142 -0.382 1.00 1.03 H new ATOM 0 HD21 LEU A 20 3.560 0.620 -1.641 1.00 0.95 H new ATOM 0 HD22 LEU A 20 4.585 0.332 -0.215 1.00 0.95 H new ATOM 0 HD23 LEU A 20 5.258 1.153 -1.644 1.00 0.95 H new ATOM 303 N ALA A 21 8.047 -1.767 -4.016 1.00 0.33 N ATOM 304 CA ALA A 21 8.233 -1.515 -5.436 1.00 0.39 C ATOM 305 C ALA A 21 8.470 -2.819 -6.177 1.00 0.38 C ATOM 306 O ALA A 21 7.780 -3.135 -7.138 1.00 0.44 O ATOM 307 CB ALA A 21 9.400 -0.565 -5.654 1.00 0.44 C ATOM 0 H ALA A 21 8.760 -1.342 -3.423 1.00 0.33 H new ATOM 0 HA ALA A 21 7.328 -1.052 -5.829 1.00 0.39 H new ATOM 0 HB1 ALA A 21 9.528 -0.385 -6.721 1.00 0.44 H new ATOM 0 HB2 ALA A 21 9.200 0.380 -5.148 1.00 0.44 H new ATOM 0 HB3 ALA A 21 10.310 -1.008 -5.249 1.00 0.44 H new ATOM 313 N LYS A 22 9.443 -3.581 -5.691 1.00 0.36 N ATOM 314 CA LYS A 22 9.846 -4.829 -6.323 1.00 0.42 C ATOM 315 C LYS A 22 8.700 -5.836 -6.361 1.00 0.37 C ATOM 316 O LYS A 22 8.487 -6.508 -7.371 1.00 0.47 O ATOM 317 CB LYS A 22 11.042 -5.425 -5.575 1.00 0.53 C ATOM 318 CG LYS A 22 11.573 -6.714 -6.182 1.00 1.22 C ATOM 319 CD LYS A 22 12.715 -7.273 -5.355 1.00 1.84 C ATOM 320 CE LYS A 22 13.239 -8.577 -5.931 1.00 2.65 C ATOM 321 NZ LYS A 22 14.308 -9.161 -5.081 1.00 3.41 N ATOM 0 H LYS A 22 9.973 -3.351 -4.850 1.00 0.36 H new ATOM 0 HA LYS A 22 10.129 -4.609 -7.352 1.00 0.42 H new ATOM 0 HB2 LYS A 22 11.846 -4.689 -5.551 1.00 0.53 H new ATOM 0 HB3 LYS A 22 10.753 -5.615 -4.541 1.00 0.53 H new ATOM 0 HG2 LYS A 22 10.770 -7.449 -6.244 1.00 1.22 H new ATOM 0 HG3 LYS A 22 11.914 -6.527 -7.200 1.00 1.22 H new ATOM 0 HD2 LYS A 22 13.524 -6.543 -5.311 1.00 1.84 H new ATOM 0 HD3 LYS A 22 12.377 -7.437 -4.332 1.00 1.84 H new ATOM 0 HE2 LYS A 22 12.419 -9.289 -6.025 1.00 2.65 H new ATOM 0 HE3 LYS A 22 13.626 -8.402 -6.935 1.00 2.65 H new ATOM 0 HZ1 LYS A 22 14.642 -10.050 -5.505 1.00 3.41 H new ATOM 0 HZ2 LYS A 22 15.101 -8.492 -5.011 1.00 3.41 H new ATOM 0 HZ3 LYS A 22 13.931 -9.351 -4.131 1.00 3.41 H new ATOM 335 N GLN A 23 7.942 -5.926 -5.275 1.00 0.33 N ATOM 336 CA GLN A 23 6.891 -6.934 -5.166 1.00 0.39 C ATOM 337 C GLN A 23 5.651 -6.570 -5.980 1.00 0.40 C ATOM 338 O GLN A 23 4.751 -7.396 -6.145 1.00 0.49 O ATOM 339 CB GLN A 23 6.525 -7.175 -3.703 1.00 0.52 C ATOM 340 CG GLN A 23 7.616 -7.904 -2.936 1.00 0.76 C ATOM 341 CD GLN A 23 7.216 -8.271 -1.521 1.00 0.78 C ATOM 342 OE1 GLN A 23 8.062 -8.378 -0.631 1.00 1.52 O ATOM 343 NE2 GLN A 23 5.925 -8.451 -1.293 1.00 1.29 N ATOM 0 H GLN A 23 8.033 -5.318 -4.461 1.00 0.33 H new ATOM 0 HA GLN A 23 7.289 -7.858 -5.586 1.00 0.39 H new ATOM 0 HB2 GLN A 23 6.325 -6.218 -3.221 1.00 0.52 H new ATOM 0 HB3 GLN A 23 5.603 -7.755 -3.654 1.00 0.52 H new ATOM 0 HG2 GLN A 23 7.885 -8.812 -3.476 1.00 0.76 H new ATOM 0 HG3 GLN A 23 8.507 -7.277 -2.903 1.00 0.76 H new ATOM 0 HE21 GLN A 23 5.254 -8.354 -2.055 1.00 1.29 H new ATOM 0 HE22 GLN A 23 5.601 -8.687 -0.355 1.00 1.29 H new ATOM 352 N THR A 24 5.598 -5.344 -6.482 1.00 0.38 N ATOM 353 CA THR A 24 4.527 -4.946 -7.390 1.00 0.47 C ATOM 354 C THR A 24 5.097 -4.614 -8.767 1.00 0.48 C ATOM 355 O THR A 24 4.367 -4.250 -9.693 1.00 0.76 O ATOM 356 CB THR A 24 3.740 -3.736 -6.846 1.00 0.54 C ATOM 357 OG1 THR A 24 4.645 -2.688 -6.474 1.00 0.62 O ATOM 358 CG2 THR A 24 2.896 -4.130 -5.643 1.00 0.62 C ATOM 0 H THR A 24 6.278 -4.611 -6.279 1.00 0.38 H new ATOM 0 HA THR A 24 3.839 -5.787 -7.474 1.00 0.47 H new ATOM 0 HB THR A 24 3.076 -3.383 -7.635 1.00 0.54 H new ATOM 0 HG1 THR A 24 5.179 -2.975 -5.704 1.00 0.62 H new ATOM 0 HG21 THR A 24 2.352 -3.258 -5.279 1.00 0.62 H new ATOM 0 HG22 THR A 24 2.187 -4.905 -5.934 1.00 0.62 H new ATOM 0 HG23 THR A 24 3.544 -4.509 -4.853 1.00 0.62 H new ATOM 366 N ASP A 25 6.416 -4.779 -8.877 1.00 0.41 N ATOM 367 CA ASP A 25 7.188 -4.439 -10.078 1.00 0.49 C ATOM 368 C ASP A 25 6.895 -3.013 -10.532 1.00 0.49 C ATOM 369 O ASP A 25 6.731 -2.737 -11.723 1.00 0.72 O ATOM 370 CB ASP A 25 6.921 -5.431 -11.212 1.00 0.68 C ATOM 371 CG ASP A 25 8.046 -5.451 -12.232 1.00 1.29 C ATOM 372 OD1 ASP A 25 8.940 -4.575 -12.170 1.00 1.57 O ATOM 373 OD2 ASP A 25 8.056 -6.363 -13.087 1.00 2.11 O ATOM 0 H ASP A 25 6.989 -5.159 -8.123 1.00 0.41 H new ATOM 0 HA ASP A 25 8.244 -4.504 -9.817 1.00 0.49 H new ATOM 0 HB2 ASP A 25 6.792 -6.430 -10.796 1.00 0.68 H new ATOM 0 HB3 ASP A 25 5.987 -5.170 -11.709 1.00 0.68 H new ATOM 378 N THR A 26 6.838 -2.110 -9.572 1.00 0.34 N ATOM 379 CA THR A 26 6.596 -0.711 -9.853 1.00 0.40 C ATOM 380 C THR A 26 7.892 0.074 -9.725 1.00 0.38 C ATOM 381 O THR A 26 8.922 -0.477 -9.335 1.00 0.40 O ATOM 382 CB THR A 26 5.539 -0.134 -8.893 1.00 0.46 C ATOM 383 OG1 THR A 26 5.842 -0.514 -7.546 1.00 0.76 O ATOM 384 CG2 THR A 26 4.149 -0.621 -9.267 1.00 0.72 C ATOM 0 H THR A 26 6.957 -2.325 -8.582 1.00 0.34 H new ATOM 0 HA THR A 26 6.219 -0.625 -10.872 1.00 0.40 H new ATOM 0 HB THR A 26 5.558 0.953 -8.974 1.00 0.46 H new ATOM 0 HG1 THR A 26 5.354 -1.333 -7.320 1.00 0.76 H new ATOM 0 HG21 THR A 26 3.418 -0.201 -8.576 1.00 0.72 H new ATOM 0 HG22 THR A 26 3.913 -0.303 -10.282 1.00 0.72 H new ATOM 0 HG23 THR A 26 4.118 -1.709 -9.211 1.00 0.72 H new ATOM 392 N GLN A 27 7.848 1.346 -10.079 1.00 0.41 N ATOM 393 CA GLN A 27 9.010 2.205 -9.947 1.00 0.44 C ATOM 394 C GLN A 27 8.771 3.216 -8.840 1.00 0.46 C ATOM 395 O GLN A 27 7.899 4.067 -8.957 1.00 0.47 O ATOM 396 CB GLN A 27 9.296 2.933 -11.262 1.00 0.50 C ATOM 397 CG GLN A 27 10.556 3.788 -11.219 1.00 1.05 C ATOM 398 CD GLN A 27 10.864 4.469 -12.539 1.00 1.67 C ATOM 399 OE1 GLN A 27 12.026 4.702 -12.868 1.00 2.39 O ATOM 400 NE2 GLN A 27 9.832 4.812 -13.297 1.00 2.31 N ATOM 0 H GLN A 27 7.021 1.806 -10.460 1.00 0.41 H new ATOM 0 HA GLN A 27 9.874 1.589 -9.699 1.00 0.44 H new ATOM 0 HB2 GLN A 27 9.391 2.199 -12.062 1.00 0.50 H new ATOM 0 HB3 GLN A 27 8.444 3.566 -11.511 1.00 0.50 H new ATOM 0 HG2 GLN A 27 10.446 4.546 -10.444 1.00 1.05 H new ATOM 0 HG3 GLN A 27 11.402 3.162 -10.935 1.00 1.05 H new ATOM 0 HE21 GLN A 27 8.882 4.602 -12.991 1.00 2.31 H new ATOM 0 HE22 GLN A 27 9.988 5.286 -14.187 1.00 2.31 H new ATOM 409 N LEU A 28 9.545 3.136 -7.772 1.00 0.51 N ATOM 410 CA LEU A 28 9.365 4.047 -6.653 1.00 0.55 C ATOM 411 C LEU A 28 10.521 5.028 -6.577 1.00 0.58 C ATOM 412 O LEU A 28 11.683 4.635 -6.483 1.00 0.71 O ATOM 413 CB LEU A 28 9.212 3.296 -5.327 1.00 0.69 C ATOM 414 CG LEU A 28 7.764 3.030 -4.894 1.00 0.78 C ATOM 415 CD1 LEU A 28 7.064 2.094 -5.865 1.00 1.51 C ATOM 416 CD2 LEU A 28 7.724 2.465 -3.486 1.00 1.30 C ATOM 0 H LEU A 28 10.297 2.457 -7.655 1.00 0.51 H new ATOM 0 HA LEU A 28 8.442 4.600 -6.825 1.00 0.55 H new ATOM 0 HB2 LEU A 28 9.733 2.342 -5.405 1.00 0.69 H new ATOM 0 HB3 LEU A 28 9.710 3.867 -4.544 1.00 0.69 H new ATOM 0 HG LEU A 28 7.231 3.981 -4.902 1.00 0.78 H new ATOM 0 HD11 LEU A 28 6.040 1.924 -5.532 1.00 1.51 H new ATOM 0 HD12 LEU A 28 7.053 2.542 -6.859 1.00 1.51 H new ATOM 0 HD13 LEU A 28 7.596 1.143 -5.902 1.00 1.51 H new ATOM 0 HD21 LEU A 28 6.689 2.283 -3.196 1.00 1.30 H new ATOM 0 HD22 LEU A 28 8.280 1.528 -3.454 1.00 1.30 H new ATOM 0 HD23 LEU A 28 8.174 3.178 -2.795 1.00 1.30 H new ATOM 428 N LEU A 29 10.187 6.305 -6.633 1.00 0.53 N ATOM 429 CA LEU A 29 11.176 7.363 -6.609 1.00 0.60 C ATOM 430 C LEU A 29 11.153 8.048 -5.250 1.00 0.63 C ATOM 431 O LEU A 29 10.141 8.621 -4.845 1.00 0.66 O ATOM 432 CB LEU A 29 10.884 8.369 -7.740 1.00 0.65 C ATOM 433 CG LEU A 29 12.018 9.344 -8.098 1.00 1.17 C ATOM 434 CD1 LEU A 29 11.749 9.990 -9.451 1.00 1.90 C ATOM 435 CD2 LEU A 29 12.174 10.422 -7.035 1.00 2.03 C ATOM 0 H LEU A 29 9.224 6.635 -6.696 1.00 0.53 H new ATOM 0 HA LEU A 29 12.170 6.946 -6.769 1.00 0.60 H new ATOM 0 HB2 LEU A 29 10.620 7.808 -8.637 1.00 0.65 H new ATOM 0 HB3 LEU A 29 10.007 8.953 -7.460 1.00 0.65 H new ATOM 0 HG LEU A 29 12.946 8.774 -8.147 1.00 1.17 H new ATOM 0 HD11 LEU A 29 12.559 10.678 -9.693 1.00 1.90 H new ATOM 0 HD12 LEU A 29 11.688 9.217 -10.217 1.00 1.90 H new ATOM 0 HD13 LEU A 29 10.807 10.537 -9.412 1.00 1.90 H new ATOM 0 HD21 LEU A 29 12.983 11.096 -7.316 1.00 2.03 H new ATOM 0 HD22 LEU A 29 11.245 10.986 -6.950 1.00 2.03 H new ATOM 0 HD23 LEU A 29 12.405 9.957 -6.077 1.00 2.03 H new ATOM 447 N TYR A 30 12.267 7.962 -4.548 1.00 0.65 N ATOM 448 CA TYR A 30 12.413 8.600 -3.254 1.00 0.72 C ATOM 449 C TYR A 30 13.872 8.963 -3.050 1.00 0.77 C ATOM 450 O TYR A 30 14.763 8.273 -3.552 1.00 0.82 O ATOM 451 CB TYR A 30 11.923 7.680 -2.126 1.00 0.72 C ATOM 452 CG TYR A 30 12.707 6.391 -1.995 1.00 0.69 C ATOM 453 CD1 TYR A 30 12.379 5.274 -2.753 1.00 0.65 C ATOM 454 CD2 TYR A 30 13.776 6.291 -1.112 1.00 0.80 C ATOM 455 CE1 TYR A 30 13.093 4.097 -2.634 1.00 0.71 C ATOM 456 CE2 TYR A 30 14.494 5.121 -0.986 1.00 0.88 C ATOM 457 CZ TYR A 30 14.152 4.028 -1.749 1.00 0.83 C ATOM 458 OH TYR A 30 14.870 2.861 -1.628 1.00 0.96 O ATOM 0 H TYR A 30 13.093 7.450 -4.857 1.00 0.65 H new ATOM 0 HA TYR A 30 11.802 9.502 -3.228 1.00 0.72 H new ATOM 0 HB2 TYR A 30 11.975 8.222 -1.182 1.00 0.72 H new ATOM 0 HB3 TYR A 30 10.874 7.439 -2.298 1.00 0.72 H new ATOM 0 HD1 TYR A 30 11.553 5.326 -3.446 1.00 0.65 H new ATOM 0 HD2 TYR A 30 14.049 7.147 -0.513 1.00 0.80 H new ATOM 0 HE1 TYR A 30 12.825 3.236 -3.229 1.00 0.71 H new ATOM 0 HE2 TYR A 30 15.320 5.062 -0.293 1.00 0.88 H new ATOM 0 HH TYR A 30 14.497 2.321 -0.900 1.00 0.96 H new ATOM 468 N SER A 31 14.117 10.044 -2.336 1.00 0.85 N ATOM 469 CA SER A 31 15.474 10.490 -2.092 1.00 0.97 C ATOM 470 C SER A 31 15.906 10.118 -0.678 1.00 0.88 C ATOM 471 O SER A 31 15.343 10.615 0.297 1.00 0.85 O ATOM 472 CB SER A 31 15.579 11.999 -2.310 1.00 1.20 C ATOM 473 OG SER A 31 16.911 12.453 -2.160 1.00 1.78 O ATOM 0 H SER A 31 13.395 10.629 -1.915 1.00 0.85 H new ATOM 0 HA SER A 31 16.141 9.993 -2.796 1.00 0.97 H new ATOM 0 HB2 SER A 31 15.218 12.250 -3.308 1.00 1.20 H new ATOM 0 HB3 SER A 31 14.935 12.516 -1.599 1.00 1.20 H new ATOM 0 HG SER A 31 17.024 12.846 -1.269 1.00 1.78 H new ATOM 479 N PRO A 32 16.878 9.198 -0.561 1.00 0.96 N ATOM 480 CA PRO A 32 17.256 8.565 0.712 1.00 0.99 C ATOM 481 C PRO A 32 17.436 9.549 1.867 1.00 1.01 C ATOM 482 O PRO A 32 16.883 9.347 2.955 1.00 1.05 O ATOM 483 CB PRO A 32 18.591 7.868 0.394 1.00 1.23 C ATOM 484 CG PRO A 32 18.976 8.319 -0.978 1.00 1.37 C ATOM 485 CD PRO A 32 17.700 8.700 -1.668 1.00 1.12 C ATOM 0 HA PRO A 32 16.469 7.893 1.054 1.00 0.99 H new ATOM 0 HB2 PRO A 32 19.355 8.139 1.122 1.00 1.23 H new ATOM 0 HB3 PRO A 32 18.484 6.784 0.432 1.00 1.23 H new ATOM 0 HG2 PRO A 32 19.661 9.166 -0.931 1.00 1.37 H new ATOM 0 HG3 PRO A 32 19.489 7.524 -1.519 1.00 1.37 H new ATOM 0 HD2 PRO A 32 17.862 9.464 -2.429 1.00 1.12 H new ATOM 0 HD3 PRO A 32 17.237 7.848 -2.166 1.00 1.12 H new ATOM 493 N GLU A 33 18.188 10.612 1.624 1.00 1.09 N ATOM 494 CA GLU A 33 18.528 11.573 2.666 1.00 1.26 C ATOM 495 C GLU A 33 17.323 12.441 3.036 1.00 1.23 C ATOM 496 O GLU A 33 17.254 12.992 4.135 1.00 1.39 O ATOM 497 CB GLU A 33 19.688 12.449 2.191 1.00 1.48 C ATOM 498 CG GLU A 33 20.225 13.394 3.250 1.00 1.99 C ATOM 499 CD GLU A 33 21.427 14.176 2.768 1.00 2.43 C ATOM 500 OE1 GLU A 33 21.242 15.267 2.195 1.00 2.83 O ATOM 501 OE2 GLU A 33 22.566 13.693 2.950 1.00 2.96 O ATOM 0 H GLU A 33 18.578 10.833 0.708 1.00 1.09 H new ATOM 0 HA GLU A 33 18.827 11.025 3.560 1.00 1.26 H new ATOM 0 HB2 GLU A 33 20.499 11.806 1.849 1.00 1.48 H new ATOM 0 HB3 GLU A 33 19.360 13.033 1.331 1.00 1.48 H new ATOM 0 HG2 GLU A 33 19.438 14.088 3.547 1.00 1.99 H new ATOM 0 HG3 GLU A 33 20.498 12.823 4.138 1.00 1.99 H new ATOM 508 N ASP A 34 16.363 12.534 2.125 1.00 1.12 N ATOM 509 CA ASP A 34 15.239 13.456 2.285 1.00 1.23 C ATOM 510 C ASP A 34 14.123 12.859 3.134 1.00 1.17 C ATOM 511 O ASP A 34 13.144 13.536 3.439 1.00 1.38 O ATOM 512 CB ASP A 34 14.690 13.872 0.919 1.00 1.33 C ATOM 513 CG ASP A 34 15.641 14.781 0.168 1.00 1.71 C ATOM 514 OD1 ASP A 34 16.650 14.283 -0.371 1.00 2.22 O ATOM 515 OD2 ASP A 34 15.381 15.997 0.103 1.00 2.14 O ATOM 0 H ASP A 34 16.337 11.984 1.267 1.00 1.12 H new ATOM 0 HA ASP A 34 15.617 14.335 2.807 1.00 1.23 H new ATOM 0 HB2 ASP A 34 14.495 12.981 0.322 1.00 1.33 H new ATOM 0 HB3 ASP A 34 13.735 14.381 1.053 1.00 1.33 H new ATOM 520 N ILE A 35 14.261 11.595 3.507 1.00 0.97 N ATOM 521 CA ILE A 35 13.296 10.959 4.400 1.00 0.97 C ATOM 522 C ILE A 35 13.892 10.779 5.791 1.00 1.02 C ATOM 523 O ILE A 35 13.308 10.123 6.647 1.00 1.09 O ATOM 524 CB ILE A 35 12.812 9.597 3.856 1.00 0.88 C ATOM 525 CG1 ILE A 35 13.993 8.648 3.617 1.00 0.78 C ATOM 526 CG2 ILE A 35 12.015 9.793 2.573 1.00 0.95 C ATOM 527 CD1 ILE A 35 13.586 7.291 3.086 1.00 0.82 C ATOM 0 H ILE A 35 15.026 10.990 3.209 1.00 0.97 H new ATOM 0 HA ILE A 35 12.431 11.620 4.460 1.00 0.97 H new ATOM 0 HB ILE A 35 12.163 9.143 4.605 1.00 0.88 H new ATOM 0 HG12 ILE A 35 14.683 9.112 2.912 1.00 0.78 H new ATOM 0 HG13 ILE A 35 14.535 8.514 4.553 1.00 0.78 H new ATOM 0 HG21 ILE A 35 11.680 8.825 2.201 1.00 0.95 H new ATOM 0 HG22 ILE A 35 11.149 10.423 2.775 1.00 0.95 H new ATOM 0 HG23 ILE A 35 12.645 10.272 1.823 1.00 0.95 H new ATOM 0 HD11 ILE A 35 14.474 6.675 2.942 1.00 0.82 H new ATOM 0 HD12 ILE A 35 12.920 6.806 3.800 1.00 0.82 H new ATOM 0 HD13 ILE A 35 13.070 7.413 2.133 1.00 0.82 H new ATOM 539 N GLY A 36 15.076 11.356 5.990 1.00 1.08 N ATOM 540 CA GLY A 36 15.699 11.397 7.306 1.00 1.25 C ATOM 541 C GLY A 36 16.103 10.034 7.845 1.00 1.17 C ATOM 542 O GLY A 36 16.542 9.924 8.992 1.00 1.40 O ATOM 0 H GLY A 36 15.622 11.802 5.253 1.00 1.08 H new ATOM 0 HA2 GLY A 36 16.583 12.033 7.258 1.00 1.25 H new ATOM 0 HA3 GLY A 36 15.008 11.863 8.009 1.00 1.25 H new ATOM 546 N GLY A 37 15.972 9.001 7.024 1.00 0.97 N ATOM 547 CA GLY A 37 16.268 7.656 7.474 1.00 0.96 C ATOM 548 C GLY A 37 15.293 7.188 8.535 1.00 0.88 C ATOM 549 O GLY A 37 15.694 6.668 9.578 1.00 1.05 O ATOM 0 H GLY A 37 15.666 9.071 6.054 1.00 0.97 H new ATOM 0 HA2 GLY A 37 16.235 6.974 6.625 1.00 0.96 H new ATOM 0 HA3 GLY A 37 17.282 7.621 7.872 1.00 0.96 H new ATOM 553 N LEU A 38 14.011 7.385 8.270 1.00 0.77 N ATOM 554 CA LEU A 38 12.968 6.997 9.206 1.00 0.83 C ATOM 555 C LEU A 38 12.647 5.517 9.046 1.00 0.66 C ATOM 556 O LEU A 38 12.929 4.928 8.003 1.00 0.67 O ATOM 557 CB LEU A 38 11.707 7.832 8.968 1.00 1.06 C ATOM 558 CG LEU A 38 11.860 9.332 9.230 1.00 1.05 C ATOM 559 CD1 LEU A 38 10.623 10.085 8.772 1.00 1.72 C ATOM 560 CD2 LEU A 38 12.118 9.594 10.705 1.00 1.20 C ATOM 0 H LEU A 38 13.667 7.813 7.411 1.00 0.77 H new ATOM 0 HA LEU A 38 13.324 7.176 10.221 1.00 0.83 H new ATOM 0 HB2 LEU A 38 11.386 7.691 7.936 1.00 1.06 H new ATOM 0 HB3 LEU A 38 10.910 7.448 9.605 1.00 1.06 H new ATOM 0 HG LEU A 38 12.716 9.691 8.658 1.00 1.05 H new ATOM 0 HD11 LEU A 38 10.752 11.150 8.967 1.00 1.72 H new ATOM 0 HD12 LEU A 38 10.476 9.927 7.704 1.00 1.72 H new ATOM 0 HD13 LEU A 38 9.752 9.719 9.316 1.00 1.72 H new ATOM 0 HD21 LEU A 38 12.224 10.666 10.871 1.00 1.20 H new ATOM 0 HD22 LEU A 38 11.282 9.217 11.293 1.00 1.20 H new ATOM 0 HD23 LEU A 38 13.034 9.087 11.010 1.00 1.20 H new ATOM 572 N ARG A 39 12.082 4.915 10.081 1.00 0.68 N ATOM 573 CA ARG A 39 11.675 3.520 10.008 1.00 0.59 C ATOM 574 C ARG A 39 10.200 3.407 9.665 1.00 0.52 C ATOM 575 O ARG A 39 9.387 4.243 10.068 1.00 0.62 O ATOM 576 CB ARG A 39 11.953 2.783 11.317 1.00 0.66 C ATOM 577 CG ARG A 39 11.237 3.364 12.528 1.00 0.76 C ATOM 578 CD ARG A 39 11.418 2.473 13.743 1.00 1.12 C ATOM 579 NE ARG A 39 11.063 1.086 13.451 1.00 2.00 N ATOM 580 CZ ARG A 39 10.095 0.415 14.071 1.00 2.70 C ATOM 581 NH1 ARG A 39 9.322 1.022 14.965 1.00 2.71 N ATOM 582 NH2 ARG A 39 9.880 -0.856 13.767 1.00 3.77 N ATOM 0 H ARG A 39 11.896 5.367 10.976 1.00 0.68 H new ATOM 0 HA ARG A 39 12.265 3.054 9.219 1.00 0.59 H new ATOM 0 HB2 ARG A 39 11.659 1.740 11.202 1.00 0.66 H new ATOM 0 HB3 ARG A 39 13.027 2.793 11.505 1.00 0.66 H new ATOM 0 HG2 ARG A 39 11.625 4.360 12.741 1.00 0.76 H new ATOM 0 HG3 ARG A 39 10.175 3.476 12.309 1.00 0.76 H new ATOM 0 HD2 ARG A 39 12.454 2.521 14.079 1.00 1.12 H new ATOM 0 HD3 ARG A 39 10.800 2.843 14.561 1.00 1.12 H new ATOM 0 HE ARG A 39 11.591 0.601 12.725 1.00 2.00 H new ATOM 0 HH11 ARG A 39 9.468 2.008 15.180 1.00 2.71 H new ATOM 0 HH12 ARG A 39 8.582 0.502 15.436 1.00 2.71 H new ATOM 0 HH21 ARG A 39 10.455 -1.316 13.061 1.00 3.77 H new ATOM 0 HH22 ARG A 39 9.140 -1.375 14.239 1.00 3.77 H new ATOM 596 N SER A 40 9.866 2.371 8.925 1.00 0.45 N ATOM 597 CA SER A 40 8.508 2.146 8.482 1.00 0.50 C ATOM 598 C SER A 40 7.713 1.346 9.509 1.00 0.49 C ATOM 599 O SER A 40 8.283 0.641 10.346 1.00 0.48 O ATOM 600 CB SER A 40 8.544 1.405 7.150 1.00 0.56 C ATOM 601 OG SER A 40 9.513 0.370 7.186 1.00 0.50 O ATOM 0 H SER A 40 10.529 1.661 8.614 1.00 0.45 H new ATOM 0 HA SER A 40 8.011 3.109 8.363 1.00 0.50 H new ATOM 0 HB2 SER A 40 7.562 0.985 6.934 1.00 0.56 H new ATOM 0 HB3 SER A 40 8.777 2.102 6.345 1.00 0.56 H new ATOM 0 HG SER A 40 9.072 -0.496 7.057 1.00 0.50 H new ATOM 607 N SER A 41 6.398 1.475 9.446 1.00 0.59 N ATOM 608 CA SER A 41 5.514 0.693 10.288 1.00 0.68 C ATOM 609 C SER A 41 5.198 -0.626 9.595 1.00 0.65 C ATOM 610 O SER A 41 4.781 -0.634 8.437 1.00 0.66 O ATOM 611 CB SER A 41 4.223 1.470 10.560 1.00 0.85 C ATOM 612 OG SER A 41 4.508 2.760 11.078 1.00 1.54 O ATOM 0 H SER A 41 5.919 2.118 8.816 1.00 0.59 H new ATOM 0 HA SER A 41 6.004 0.492 11.241 1.00 0.68 H new ATOM 0 HB2 SER A 41 3.649 1.563 9.638 1.00 0.85 H new ATOM 0 HB3 SER A 41 3.604 0.918 11.267 1.00 0.85 H new ATOM 0 HG SER A 41 3.669 3.239 11.243 1.00 1.54 H new ATOM 618 N ALA A 42 5.431 -1.731 10.298 1.00 0.69 N ATOM 619 CA ALA A 42 5.238 -3.064 9.737 1.00 0.72 C ATOM 620 C ALA A 42 3.817 -3.255 9.215 1.00 0.63 C ATOM 621 O ALA A 42 2.881 -3.470 9.988 1.00 0.66 O ATOM 622 CB ALA A 42 5.568 -4.126 10.778 1.00 0.84 C ATOM 0 H ALA A 42 5.756 -1.728 11.265 1.00 0.69 H new ATOM 0 HA ALA A 42 5.917 -3.170 8.891 1.00 0.72 H new ATOM 0 HB1 ALA A 42 5.420 -5.116 10.347 1.00 0.84 H new ATOM 0 HB2 ALA A 42 6.606 -4.018 11.091 1.00 0.84 H new ATOM 0 HB3 ALA A 42 4.914 -4.005 11.642 1.00 0.84 H new ATOM 628 N LEU A 43 3.662 -3.167 7.904 1.00 0.59 N ATOM 629 CA LEU A 43 2.372 -3.365 7.270 1.00 0.54 C ATOM 630 C LEU A 43 2.460 -4.567 6.338 1.00 0.45 C ATOM 631 O LEU A 43 2.847 -4.441 5.178 1.00 0.51 O ATOM 632 CB LEU A 43 1.959 -2.095 6.503 1.00 0.65 C ATOM 633 CG LEU A 43 0.458 -1.934 6.217 1.00 0.83 C ATOM 634 CD1 LEU A 43 0.173 -0.532 5.700 1.00 1.42 C ATOM 635 CD2 LEU A 43 -0.033 -2.965 5.207 1.00 1.42 C ATOM 0 H LEU A 43 4.421 -2.958 7.255 1.00 0.59 H new ATOM 0 HA LEU A 43 1.610 -3.558 8.025 1.00 0.54 H new ATOM 0 HB2 LEU A 43 2.295 -1.227 7.071 1.00 0.65 H new ATOM 0 HB3 LEU A 43 2.493 -2.080 5.553 1.00 0.65 H new ATOM 0 HG LEU A 43 -0.078 -2.095 7.152 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -0.893 -0.428 5.500 1.00 1.42 H new ATOM 0 HD12 LEU A 43 0.475 0.200 6.449 1.00 1.42 H new ATOM 0 HD13 LEU A 43 0.733 -0.363 4.780 1.00 1.42 H new ATOM 0 HD21 LEU A 43 -1.099 -2.821 5.029 1.00 1.42 H new ATOM 0 HD22 LEU A 43 0.511 -2.844 4.270 1.00 1.42 H new ATOM 0 HD23 LEU A 43 0.137 -3.968 5.599 1.00 1.42 H new ATOM 647 N LYS A 44 2.132 -5.738 6.859 1.00 0.43 N ATOM 648 CA LYS A 44 2.185 -6.953 6.064 1.00 0.43 C ATOM 649 C LYS A 44 0.808 -7.601 5.982 1.00 0.41 C ATOM 650 O LYS A 44 0.181 -7.907 6.998 1.00 0.50 O ATOM 651 CB LYS A 44 3.229 -7.934 6.619 1.00 0.61 C ATOM 652 CG LYS A 44 2.966 -8.425 8.035 1.00 0.88 C ATOM 653 CD LYS A 44 4.023 -9.430 8.463 1.00 1.15 C ATOM 654 CE LYS A 44 3.679 -10.098 9.783 1.00 1.77 C ATOM 655 NZ LYS A 44 3.613 -9.131 10.911 1.00 2.43 N ATOM 0 H LYS A 44 1.828 -5.873 7.823 1.00 0.43 H new ATOM 0 HA LYS A 44 2.493 -6.684 5.054 1.00 0.43 H new ATOM 0 HB2 LYS A 44 3.282 -8.797 5.956 1.00 0.61 H new ATOM 0 HB3 LYS A 44 4.207 -7.452 6.594 1.00 0.61 H new ATOM 0 HG2 LYS A 44 2.962 -7.580 8.723 1.00 0.88 H new ATOM 0 HG3 LYS A 44 1.979 -8.884 8.088 1.00 0.88 H new ATOM 0 HD2 LYS A 44 4.132 -10.191 7.690 1.00 1.15 H new ATOM 0 HD3 LYS A 44 4.986 -8.926 8.553 1.00 1.15 H new ATOM 0 HE2 LYS A 44 2.720 -10.608 9.689 1.00 1.77 H new ATOM 0 HE3 LYS A 44 4.425 -10.861 10.006 1.00 1.77 H new ATOM 0 HZ1 LYS A 44 3.426 -9.643 11.797 1.00 2.43 H new ATOM 0 HZ2 LYS A 44 4.519 -8.625 10.988 1.00 2.43 H new ATOM 0 HZ3 LYS A 44 2.849 -8.447 10.738 1.00 2.43 H new ATOM 669 N GLY A 45 0.338 -7.785 4.761 1.00 0.37 N ATOM 670 CA GLY A 45 -0.983 -8.326 4.542 1.00 0.37 C ATOM 671 C GLY A 45 -1.347 -8.291 3.079 1.00 0.33 C ATOM 672 O GLY A 45 -0.471 -8.128 2.231 1.00 0.34 O ATOM 0 H GLY A 45 0.855 -7.567 3.909 1.00 0.37 H new ATOM 0 HA2 GLY A 45 -1.024 -9.353 4.906 1.00 0.37 H new ATOM 0 HA3 GLY A 45 -1.713 -7.755 5.116 1.00 0.37 H new ATOM 676 N ARG A 46 -2.627 -8.425 2.776 1.00 0.35 N ATOM 677 CA ARG A 46 -3.075 -8.381 1.394 1.00 0.36 C ATOM 678 C ARG A 46 -3.762 -7.053 1.122 1.00 0.34 C ATOM 679 O ARG A 46 -4.938 -6.874 1.442 1.00 0.48 O ATOM 680 CB ARG A 46 -4.020 -9.541 1.086 1.00 0.49 C ATOM 681 CG ARG A 46 -4.256 -9.742 -0.401 1.00 0.97 C ATOM 682 CD ARG A 46 -5.182 -10.914 -0.667 1.00 1.13 C ATOM 683 NE ARG A 46 -4.763 -12.110 0.052 1.00 1.77 N ATOM 684 CZ ARG A 46 -4.477 -13.272 -0.527 1.00 2.26 C ATOM 685 NH1 ARG A 46 -4.449 -13.375 -1.854 1.00 2.15 N ATOM 686 NH2 ARG A 46 -4.182 -14.323 0.225 1.00 3.27 N ATOM 0 H ARG A 46 -3.369 -8.564 3.462 1.00 0.35 H new ATOM 0 HA ARG A 46 -2.206 -8.477 0.744 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -3.610 -10.458 1.509 1.00 0.49 H new ATOM 0 HB3 ARG A 46 -4.976 -9.363 1.578 1.00 0.49 H new ATOM 0 HG2 ARG A 46 -4.684 -8.835 -0.828 1.00 0.97 H new ATOM 0 HG3 ARG A 46 -3.303 -9.910 -0.902 1.00 0.97 H new ATOM 0 HD2 ARG A 46 -6.197 -10.649 -0.371 1.00 1.13 H new ATOM 0 HD3 ARG A 46 -5.206 -11.123 -1.737 1.00 1.13 H new ATOM 0 HE ARG A 46 -4.684 -12.052 1.067 1.00 1.77 H new ATOM 0 HH11 ARG A 46 -4.648 -12.559 -2.433 1.00 2.15 H new ATOM 0 HH12 ARG A 46 -4.229 -14.270 -2.292 1.00 2.15 H new ATOM 0 HH21 ARG A 46 -4.175 -14.237 1.241 1.00 3.27 H new ATOM 0 HH22 ARG A 46 -3.962 -15.218 -0.213 1.00 3.27 H new ATOM 700 N HIS A 47 -3.023 -6.115 0.548 1.00 0.32 N ATOM 701 CA HIS A 47 -3.541 -4.774 0.322 1.00 0.45 C ATOM 702 C HIS A 47 -3.142 -4.255 -1.049 1.00 0.43 C ATOM 703 O HIS A 47 -2.109 -4.634 -1.598 1.00 0.46 O ATOM 704 CB HIS A 47 -3.054 -3.809 1.408 1.00 0.68 C ATOM 705 CG HIS A 47 -3.637 -4.078 2.761 1.00 1.01 C ATOM 706 ND1 HIS A 47 -4.915 -3.709 3.115 1.00 1.79 N ATOM 707 CD2 HIS A 47 -3.116 -4.706 3.840 1.00 1.21 C ATOM 708 CE1 HIS A 47 -5.155 -4.095 4.355 1.00 1.98 C ATOM 709 NE2 HIS A 47 -4.078 -4.702 4.816 1.00 1.57 N ATOM 0 H HIS A 47 -2.064 -6.257 0.231 1.00 0.32 H new ATOM 0 HA HIS A 47 -4.629 -4.832 0.367 1.00 0.45 H new ATOM 0 HB2 HIS A 47 -1.968 -3.868 1.473 1.00 0.68 H new ATOM 0 HB3 HIS A 47 -3.301 -2.789 1.112 1.00 0.68 H new ATOM 0 HD2 HIS A 47 -2.126 -5.131 3.918 1.00 1.21 H new ATOM 0 HE1 HIS A 47 -6.075 -3.940 4.899 1.00 1.98 H new ATOM 0 HE2 HIS A 47 -3.978 -5.103 5.748 1.00 1.57 H new ATOM 718 N ASP A 48 -4.006 -3.419 -1.601 1.00 0.47 N ATOM 719 CA ASP A 48 -3.762 -2.741 -2.865 1.00 0.55 C ATOM 720 C ASP A 48 -2.601 -1.754 -2.743 1.00 0.48 C ATOM 721 O ASP A 48 -2.349 -1.233 -1.653 1.00 0.44 O ATOM 722 CB ASP A 48 -5.048 -2.026 -3.305 1.00 0.70 C ATOM 723 CG ASP A 48 -4.806 -0.887 -4.273 1.00 1.20 C ATOM 724 OD1 ASP A 48 -4.758 -1.147 -5.492 1.00 1.80 O ATOM 725 OD2 ASP A 48 -4.652 0.266 -3.824 1.00 1.86 O ATOM 0 H ASP A 48 -4.906 -3.189 -1.180 1.00 0.47 H new ATOM 0 HA ASP A 48 -3.482 -3.476 -3.619 1.00 0.55 H new ATOM 0 HB2 ASP A 48 -5.716 -2.751 -3.769 1.00 0.70 H new ATOM 0 HB3 ASP A 48 -5.559 -1.640 -2.423 1.00 0.70 H new ATOM 730 N LEU A 49 -1.898 -1.506 -3.843 1.00 0.50 N ATOM 731 CA LEU A 49 -0.704 -0.662 -3.828 1.00 0.51 C ATOM 732 C LEU A 49 -1.017 0.736 -3.291 1.00 0.42 C ATOM 733 O LEU A 49 -0.449 1.164 -2.281 1.00 0.43 O ATOM 734 CB LEU A 49 -0.107 -0.563 -5.235 1.00 0.61 C ATOM 735 CG LEU A 49 1.162 0.289 -5.348 1.00 0.73 C ATOM 736 CD1 LEU A 49 2.298 -0.326 -4.545 1.00 1.16 C ATOM 737 CD2 LEU A 49 1.560 0.452 -6.806 1.00 1.18 C ATOM 0 H LEU A 49 -2.135 -1.879 -4.762 1.00 0.50 H new ATOM 0 HA LEU A 49 0.024 -1.125 -3.162 1.00 0.51 H new ATOM 0 HB2 LEU A 49 0.118 -1.569 -5.588 1.00 0.61 H new ATOM 0 HB3 LEU A 49 -0.862 -0.151 -5.904 1.00 0.61 H new ATOM 0 HG LEU A 49 0.953 1.276 -4.935 1.00 0.73 H new ATOM 0 HD11 LEU A 49 3.189 0.295 -4.640 1.00 1.16 H new ATOM 0 HD12 LEU A 49 2.009 -0.389 -3.496 1.00 1.16 H new ATOM 0 HD13 LEU A 49 2.511 -1.326 -4.923 1.00 1.16 H new ATOM 0 HD21 LEU A 49 2.463 1.059 -6.871 1.00 1.18 H new ATOM 0 HD22 LEU A 49 1.750 -0.528 -7.243 1.00 1.18 H new ATOM 0 HD23 LEU A 49 0.753 0.942 -7.351 1.00 1.18 H new ATOM 749 N GLN A 50 -1.939 1.430 -3.954 1.00 0.41 N ATOM 750 CA GLN A 50 -2.300 2.792 -3.574 1.00 0.42 C ATOM 751 C GLN A 50 -2.864 2.825 -2.158 1.00 0.39 C ATOM 752 O GLN A 50 -2.599 3.756 -1.397 1.00 0.41 O ATOM 753 CB GLN A 50 -3.314 3.380 -4.558 1.00 0.52 C ATOM 754 CG GLN A 50 -3.680 4.827 -4.255 1.00 1.21 C ATOM 755 CD GLN A 50 -4.654 5.409 -5.258 1.00 1.67 C ATOM 756 OE1 GLN A 50 -5.482 4.697 -5.826 1.00 2.15 O ATOM 757 NE2 GLN A 50 -4.566 6.710 -5.477 1.00 2.39 N ATOM 0 H GLN A 50 -2.451 1.069 -4.759 1.00 0.41 H new ATOM 0 HA GLN A 50 -1.396 3.400 -3.603 1.00 0.42 H new ATOM 0 HB2 GLN A 50 -2.907 3.319 -5.567 1.00 0.52 H new ATOM 0 HB3 GLN A 50 -4.219 2.773 -4.542 1.00 0.52 H new ATOM 0 HG2 GLN A 50 -4.115 4.886 -3.257 1.00 1.21 H new ATOM 0 HG3 GLN A 50 -2.773 5.431 -4.243 1.00 1.21 H new ATOM 0 HE21 GLN A 50 -3.865 7.264 -4.985 1.00 2.39 H new ATOM 0 HE22 GLN A 50 -5.199 7.160 -6.138 1.00 2.39 H new ATOM 766 N SER A 51 -3.630 1.801 -1.810 1.00 0.41 N ATOM 767 CA SER A 51 -4.203 1.694 -0.478 1.00 0.46 C ATOM 768 C SER A 51 -3.087 1.629 0.563 1.00 0.41 C ATOM 769 O SER A 51 -3.117 2.344 1.568 1.00 0.43 O ATOM 770 CB SER A 51 -5.086 0.446 -0.388 1.00 0.57 C ATOM 771 OG SER A 51 -5.947 0.498 0.739 1.00 1.33 O ATOM 0 H SER A 51 -3.869 1.031 -2.434 1.00 0.41 H new ATOM 0 HA SER A 51 -4.817 2.573 -0.281 1.00 0.46 H new ATOM 0 HB2 SER A 51 -5.680 0.353 -1.297 1.00 0.57 H new ATOM 0 HB3 SER A 51 -4.457 -0.442 -0.326 1.00 0.57 H new ATOM 0 HG SER A 51 -6.498 -0.312 0.767 1.00 1.33 H new ATOM 777 N SER A 52 -2.091 0.790 0.300 1.00 0.40 N ATOM 778 CA SER A 52 -0.942 0.657 1.184 1.00 0.43 C ATOM 779 C SER A 52 -0.194 1.983 1.299 1.00 0.41 C ATOM 780 O SER A 52 0.178 2.402 2.393 1.00 0.45 O ATOM 781 CB SER A 52 -0.007 -0.438 0.669 1.00 0.49 C ATOM 782 OG SER A 52 -0.710 -1.655 0.495 1.00 1.21 O ATOM 0 H SER A 52 -2.058 0.189 -0.524 1.00 0.40 H new ATOM 0 HA SER A 52 -1.298 0.379 2.176 1.00 0.43 H new ATOM 0 HB2 SER A 52 0.436 -0.129 -0.278 1.00 0.49 H new ATOM 0 HB3 SER A 52 0.813 -0.583 1.372 1.00 0.49 H new ATOM 0 HG SER A 52 -1.276 -1.595 -0.303 1.00 1.21 H new ATOM 788 N LEU A 53 -0.005 2.650 0.162 1.00 0.39 N ATOM 789 CA LEU A 53 0.662 3.952 0.127 1.00 0.41 C ATOM 790 C LEU A 53 -0.084 4.969 0.983 1.00 0.40 C ATOM 791 O LEU A 53 0.526 5.820 1.633 1.00 0.46 O ATOM 792 CB LEU A 53 0.749 4.467 -1.312 1.00 0.44 C ATOM 793 CG LEU A 53 1.599 3.625 -2.265 1.00 0.51 C ATOM 794 CD1 LEU A 53 1.458 4.137 -3.688 1.00 0.70 C ATOM 795 CD2 LEU A 53 3.060 3.646 -1.842 1.00 0.56 C ATOM 0 H LEU A 53 -0.305 2.309 -0.751 1.00 0.39 H new ATOM 0 HA LEU A 53 1.667 3.823 0.528 1.00 0.41 H new ATOM 0 HB2 LEU A 53 -0.261 4.533 -1.717 1.00 0.44 H new ATOM 0 HB3 LEU A 53 1.152 5.480 -1.293 1.00 0.44 H new ATOM 0 HG LEU A 53 1.243 2.596 -2.224 1.00 0.51 H new ATOM 0 HD11 LEU A 53 2.068 3.529 -4.356 1.00 0.70 H new ATOM 0 HD12 LEU A 53 0.414 4.076 -3.995 1.00 0.70 H new ATOM 0 HD13 LEU A 53 1.791 5.174 -3.736 1.00 0.70 H new ATOM 0 HD21 LEU A 53 3.648 3.041 -2.533 1.00 0.56 H new ATOM 0 HD22 LEU A 53 3.428 4.672 -1.855 1.00 0.56 H new ATOM 0 HD23 LEU A 53 3.153 3.240 -0.835 1.00 0.56 H new ATOM 807 N ARG A 54 -1.406 4.880 0.979 1.00 0.38 N ATOM 808 CA ARG A 54 -2.230 5.783 1.769 1.00 0.43 C ATOM 809 C ARG A 54 -2.071 5.507 3.262 1.00 0.42 C ATOM 810 O ARG A 54 -1.781 6.420 4.032 1.00 0.48 O ATOM 811 CB ARG A 54 -3.700 5.677 1.360 1.00 0.51 C ATOM 812 CG ARG A 54 -3.985 6.238 -0.024 1.00 1.10 C ATOM 813 CD ARG A 54 -5.460 6.148 -0.381 1.00 1.31 C ATOM 814 NE ARG A 54 -5.736 6.724 -1.697 1.00 1.87 N ATOM 815 CZ ARG A 54 -6.962 6.961 -2.171 1.00 2.48 C ATOM 816 NH1 ARG A 54 -8.032 6.673 -1.444 1.00 2.70 N ATOM 817 NH2 ARG A 54 -7.121 7.492 -3.377 1.00 3.38 N ATOM 0 H ARG A 54 -1.931 4.192 0.438 1.00 0.38 H new ATOM 0 HA ARG A 54 -1.890 6.800 1.573 1.00 0.43 H new ATOM 0 HB2 ARG A 54 -4.003 4.630 1.389 1.00 0.51 H new ATOM 0 HB3 ARG A 54 -4.312 6.206 2.091 1.00 0.51 H new ATOM 0 HG2 ARG A 54 -3.664 7.279 -0.067 1.00 1.10 H new ATOM 0 HG3 ARG A 54 -3.399 5.693 -0.764 1.00 1.10 H new ATOM 0 HD2 ARG A 54 -5.774 5.104 -0.368 1.00 1.31 H new ATOM 0 HD3 ARG A 54 -6.049 6.668 0.374 1.00 1.31 H new ATOM 0 HE ARG A 54 -4.941 6.960 -2.291 1.00 1.87 H new ATOM 0 HH11 ARG A 54 -7.923 6.267 -0.515 1.00 2.70 H new ATOM 0 HH12 ARG A 54 -8.965 6.857 -1.814 1.00 2.70 H new ATOM 0 HH21 ARG A 54 -6.305 7.720 -3.945 1.00 3.38 H new ATOM 0 HH22 ARG A 54 -8.059 7.672 -3.736 1.00 3.38 H new ATOM 831 N ILE A 55 -2.234 4.249 3.657 1.00 0.42 N ATOM 832 CA ILE A 55 -2.210 3.875 5.070 1.00 0.47 C ATOM 833 C ILE A 55 -0.806 3.995 5.670 1.00 0.49 C ATOM 834 O ILE A 55 -0.642 4.506 6.779 1.00 0.59 O ATOM 835 CB ILE A 55 -2.733 2.434 5.277 1.00 0.56 C ATOM 836 CG1 ILE A 55 -4.143 2.289 4.696 1.00 0.59 C ATOM 837 CG2 ILE A 55 -2.724 2.058 6.757 1.00 0.66 C ATOM 838 CD1 ILE A 55 -5.165 3.221 5.317 1.00 1.24 C ATOM 0 H ILE A 55 -2.385 3.468 3.018 1.00 0.42 H new ATOM 0 HA ILE A 55 -2.868 4.574 5.586 1.00 0.47 H new ATOM 0 HB ILE A 55 -2.067 1.751 4.750 1.00 0.56 H new ATOM 0 HG12 ILE A 55 -4.103 2.474 3.622 1.00 0.59 H new ATOM 0 HG13 ILE A 55 -4.476 1.260 4.830 1.00 0.59 H new ATOM 0 HG21 ILE A 55 -3.096 1.040 6.876 1.00 0.66 H new ATOM 0 HG22 ILE A 55 -1.706 2.120 7.142 1.00 0.66 H new ATOM 0 HG23 ILE A 55 -3.363 2.745 7.311 1.00 0.66 H new ATOM 0 HD11 ILE A 55 -6.137 3.057 4.852 1.00 1.24 H new ATOM 0 HD12 ILE A 55 -5.236 3.022 6.386 1.00 1.24 H new ATOM 0 HD13 ILE A 55 -4.858 4.255 5.160 1.00 1.24 H new ATOM 850 N LEU A 56 0.200 3.536 4.931 1.00 0.45 N ATOM 851 CA LEU A 56 1.575 3.512 5.423 1.00 0.52 C ATOM 852 C LEU A 56 2.083 4.929 5.696 1.00 0.53 C ATOM 853 O LEU A 56 2.545 5.227 6.796 1.00 0.65 O ATOM 854 CB LEU A 56 2.483 2.802 4.407 1.00 0.57 C ATOM 855 CG LEU A 56 3.738 2.124 4.974 1.00 0.75 C ATOM 856 CD1 LEU A 56 4.411 1.287 3.897 1.00 1.04 C ATOM 857 CD2 LEU A 56 4.721 3.146 5.528 1.00 1.63 C ATOM 0 H LEU A 56 0.088 3.174 3.984 1.00 0.45 H new ATOM 0 HA LEU A 56 1.596 2.961 6.363 1.00 0.52 H new ATOM 0 HB2 LEU A 56 1.891 2.048 3.888 1.00 0.57 H new ATOM 0 HB3 LEU A 56 2.796 3.531 3.660 1.00 0.57 H new ATOM 0 HG LEU A 56 3.427 1.477 5.794 1.00 0.75 H new ATOM 0 HD11 LEU A 56 5.300 0.810 4.309 1.00 1.04 H new ATOM 0 HD12 LEU A 56 3.719 0.522 3.545 1.00 1.04 H new ATOM 0 HD13 LEU A 56 4.697 1.928 3.063 1.00 1.04 H new ATOM 0 HD21 LEU A 56 5.598 2.631 5.921 1.00 1.63 H new ATOM 0 HD22 LEU A 56 5.026 3.826 4.733 1.00 1.63 H new ATOM 0 HD23 LEU A 56 4.244 3.713 6.327 1.00 1.63 H new ATOM 869 N LEU A 57 1.979 5.800 4.699 1.00 0.51 N ATOM 870 CA LEU A 57 2.497 7.161 4.817 1.00 0.63 C ATOM 871 C LEU A 57 1.648 8.000 5.770 1.00 0.72 C ATOM 872 O LEU A 57 2.143 8.958 6.364 1.00 1.16 O ATOM 873 CB LEU A 57 2.568 7.839 3.442 1.00 0.80 C ATOM 874 CG LEU A 57 3.767 7.449 2.561 1.00 1.29 C ATOM 875 CD1 LEU A 57 3.735 5.972 2.193 1.00 1.68 C ATOM 876 CD2 LEU A 57 3.795 8.303 1.305 1.00 2.17 C ATOM 0 H LEU A 57 1.542 5.590 3.801 1.00 0.51 H new ATOM 0 HA LEU A 57 3.504 7.092 5.228 1.00 0.63 H new ATOM 0 HB2 LEU A 57 1.652 7.609 2.898 1.00 0.80 H new ATOM 0 HB3 LEU A 57 2.588 8.919 3.591 1.00 0.80 H new ATOM 0 HG LEU A 57 4.675 7.628 3.137 1.00 1.29 H new ATOM 0 HD11 LEU A 57 4.597 5.733 1.570 1.00 1.68 H new ATOM 0 HD12 LEU A 57 3.765 5.370 3.101 1.00 1.68 H new ATOM 0 HD13 LEU A 57 2.819 5.754 1.644 1.00 1.68 H new ATOM 0 HD21 LEU A 57 4.648 8.017 0.690 1.00 2.17 H new ATOM 0 HD22 LEU A 57 2.874 8.152 0.741 1.00 2.17 H new ATOM 0 HD23 LEU A 57 3.883 9.354 1.581 1.00 2.17 H new ATOM 888 N GLN A 58 0.372 7.647 5.887 1.00 0.61 N ATOM 889 CA GLN A 58 -0.565 8.324 6.786 1.00 0.79 C ATOM 890 C GLN A 58 0.013 8.476 8.194 1.00 1.05 C ATOM 891 O GLN A 58 0.080 7.511 8.958 1.00 2.03 O ATOM 892 CB GLN A 58 -1.873 7.536 6.834 1.00 0.90 C ATOM 893 CG GLN A 58 -2.945 8.134 7.726 1.00 1.29 C ATOM 894 CD GLN A 58 -4.247 7.363 7.646 1.00 1.60 C ATOM 895 OE1 GLN A 58 -4.583 6.792 6.608 1.00 2.30 O ATOM 896 NE2 GLN A 58 -4.992 7.337 8.740 1.00 1.85 N ATOM 0 H GLN A 58 -0.046 6.880 5.360 1.00 0.61 H new ATOM 0 HA GLN A 58 -0.749 9.327 6.400 1.00 0.79 H new ATOM 0 HB2 GLN A 58 -2.268 7.453 5.821 1.00 0.90 H new ATOM 0 HB3 GLN A 58 -1.658 6.524 7.177 1.00 0.90 H new ATOM 0 HG2 GLN A 58 -2.593 8.145 8.758 1.00 1.29 H new ATOM 0 HG3 GLN A 58 -3.119 9.171 7.438 1.00 1.29 H new ATOM 0 HE21 GLN A 58 -4.680 7.822 9.581 1.00 1.85 H new ATOM 0 HE22 GLN A 58 -5.878 6.832 8.742 1.00 1.85 H new ATOM 905 N GLY A 59 0.444 9.688 8.522 1.00 0.97 N ATOM 906 CA GLY A 59 0.946 9.966 9.850 1.00 1.28 C ATOM 907 C GLY A 59 2.402 10.386 9.854 1.00 1.13 C ATOM 908 O GLY A 59 2.888 10.947 10.836 1.00 1.42 O ATOM 0 H GLY A 59 0.454 10.486 7.887 1.00 0.97 H new ATOM 0 HA2 GLY A 59 0.344 10.754 10.303 1.00 1.28 H new ATOM 0 HA3 GLY A 59 0.827 9.078 10.471 1.00 1.28 H new ATOM 912 N THR A 60 3.102 10.116 8.760 1.00 0.95 N ATOM 913 CA THR A 60 4.521 10.431 8.669 1.00 0.99 C ATOM 914 C THR A 60 4.759 11.794 8.023 1.00 1.06 C ATOM 915 O THR A 60 5.873 12.324 8.061 1.00 1.25 O ATOM 916 CB THR A 60 5.285 9.359 7.867 1.00 1.04 C ATOM 917 OG1 THR A 60 4.744 9.259 6.540 1.00 0.99 O ATOM 918 CG2 THR A 60 5.208 8.004 8.558 1.00 1.21 C ATOM 0 H THR A 60 2.711 9.680 7.925 1.00 0.95 H new ATOM 0 HA THR A 60 4.896 10.453 9.692 1.00 0.99 H new ATOM 0 HB THR A 60 6.332 9.658 7.810 1.00 1.04 H new ATOM 0 HG1 THR A 60 3.866 8.826 6.577 1.00 0.99 H new ATOM 0 HG21 THR A 60 5.755 7.265 7.972 1.00 1.21 H new ATOM 0 HG22 THR A 60 5.649 8.077 9.552 1.00 1.21 H new ATOM 0 HG23 THR A 60 4.165 7.699 8.645 1.00 1.21 H new ATOM 926 N GLY A 61 3.708 12.375 7.454 1.00 1.08 N ATOM 927 CA GLY A 61 3.850 13.646 6.770 1.00 1.32 C ATOM 928 C GLY A 61 4.389 13.505 5.359 1.00 1.26 C ATOM 929 O GLY A 61 4.775 14.497 4.737 1.00 1.35 O ATOM 0 H GLY A 61 2.764 11.990 7.454 1.00 1.08 H new ATOM 0 HA2 GLY A 61 2.881 14.143 6.734 1.00 1.32 H new ATOM 0 HA3 GLY A 61 4.517 14.289 7.345 1.00 1.32 H new ATOM 933 N LEU A 62 4.414 12.287 4.837 1.00 1.16 N ATOM 934 CA LEU A 62 4.903 12.051 3.487 1.00 1.11 C ATOM 935 C LEU A 62 3.737 12.001 2.505 1.00 1.07 C ATOM 936 O LEU A 62 2.617 11.635 2.873 1.00 1.14 O ATOM 937 CB LEU A 62 5.692 10.738 3.428 1.00 1.10 C ATOM 938 CG LEU A 62 6.885 10.646 4.385 1.00 1.19 C ATOM 939 CD1 LEU A 62 7.542 9.278 4.287 1.00 1.23 C ATOM 940 CD2 LEU A 62 7.897 11.745 4.094 1.00 1.28 C ATOM 0 H LEU A 62 4.102 11.449 5.327 1.00 1.16 H new ATOM 0 HA LEU A 62 5.564 12.872 3.210 1.00 1.11 H new ATOM 0 HB2 LEU A 62 5.011 9.914 3.643 1.00 1.10 H new ATOM 0 HB3 LEU A 62 6.053 10.596 2.409 1.00 1.10 H new ATOM 0 HG LEU A 62 6.517 10.782 5.402 1.00 1.19 H new ATOM 0 HD11 LEU A 62 8.387 9.230 4.973 1.00 1.23 H new ATOM 0 HD12 LEU A 62 6.818 8.507 4.549 1.00 1.23 H new ATOM 0 HD13 LEU A 62 7.893 9.115 3.268 1.00 1.23 H new ATOM 0 HD21 LEU A 62 8.735 11.660 4.785 1.00 1.28 H new ATOM 0 HD22 LEU A 62 8.259 11.645 3.071 1.00 1.28 H new ATOM 0 HD23 LEU A 62 7.422 12.719 4.217 1.00 1.28 H new ATOM 952 N ARG A 63 3.996 12.384 1.263 1.00 1.01 N ATOM 953 CA ARG A 63 2.968 12.370 0.228 1.00 1.03 C ATOM 954 C ARG A 63 3.370 11.440 -0.907 1.00 0.92 C ATOM 955 O ARG A 63 4.517 11.451 -1.354 1.00 0.87 O ATOM 956 CB ARG A 63 2.706 13.783 -0.311 1.00 1.15 C ATOM 957 CG ARG A 63 1.524 14.484 0.345 1.00 1.51 C ATOM 958 CD ARG A 63 1.725 14.651 1.840 1.00 1.78 C ATOM 959 NE ARG A 63 0.556 15.232 2.498 1.00 2.51 N ATOM 960 CZ ARG A 63 0.298 15.108 3.799 1.00 3.28 C ATOM 961 NH1 ARG A 63 1.138 14.441 4.580 1.00 3.53 N ATOM 962 NH2 ARG A 63 -0.798 15.646 4.317 1.00 4.21 N ATOM 0 H ARG A 63 4.909 12.709 0.946 1.00 1.01 H new ATOM 0 HA ARG A 63 2.045 12.001 0.676 1.00 1.03 H new ATOM 0 HB2 ARG A 63 3.601 14.388 -0.166 1.00 1.15 H new ATOM 0 HB3 ARG A 63 2.531 13.725 -1.385 1.00 1.15 H new ATOM 0 HG2 ARG A 63 1.382 15.462 -0.114 1.00 1.51 H new ATOM 0 HG3 ARG A 63 0.615 13.911 0.162 1.00 1.51 H new ATOM 0 HD2 ARG A 63 1.944 13.680 2.285 1.00 1.78 H new ATOM 0 HD3 ARG A 63 2.592 15.287 2.018 1.00 1.78 H new ATOM 0 HE ARG A 63 -0.101 15.764 1.927 1.00 2.51 H new ATOM 0 HH11 ARG A 63 1.980 14.024 4.184 1.00 3.53 H new ATOM 0 HH12 ARG A 63 0.941 14.345 5.576 1.00 3.53 H new ATOM 0 HH21 ARG A 63 -1.447 16.157 3.719 1.00 4.21 H new ATOM 0 HH22 ARG A 63 -0.992 15.549 5.314 1.00 4.21 H new ATOM 976 N TYR A 64 2.425 10.629 -1.357 1.00 0.96 N ATOM 977 CA TYR A 64 2.690 9.689 -2.432 1.00 0.91 C ATOM 978 C TYR A 64 2.168 10.232 -3.757 1.00 0.89 C ATOM 979 O TYR A 64 1.166 10.948 -3.798 1.00 0.94 O ATOM 980 CB TYR A 64 2.068 8.312 -2.135 1.00 0.92 C ATOM 981 CG TYR A 64 0.568 8.240 -2.340 1.00 0.97 C ATOM 982 CD1 TYR A 64 -0.317 8.663 -1.355 1.00 1.02 C ATOM 983 CD2 TYR A 64 0.037 7.742 -3.526 1.00 1.06 C ATOM 984 CE1 TYR A 64 -1.684 8.593 -1.547 1.00 1.14 C ATOM 985 CE2 TYR A 64 -1.327 7.671 -3.726 1.00 1.18 C ATOM 986 CZ TYR A 64 -2.184 8.097 -2.734 1.00 1.20 C ATOM 987 OH TYR A 64 -3.547 8.029 -2.933 1.00 1.37 O ATOM 0 H TYR A 64 1.472 10.603 -0.995 1.00 0.96 H new ATOM 0 HA TYR A 64 3.770 9.562 -2.506 1.00 0.91 H new ATOM 0 HB2 TYR A 64 2.545 7.567 -2.772 1.00 0.92 H new ATOM 0 HB3 TYR A 64 2.294 8.041 -1.104 1.00 0.92 H new ATOM 0 HD1 TYR A 64 0.070 9.053 -0.425 1.00 1.02 H new ATOM 0 HD2 TYR A 64 0.705 7.405 -4.305 1.00 1.06 H new ATOM 0 HE1 TYR A 64 -2.358 8.925 -0.771 1.00 1.14 H new ATOM 0 HE2 TYR A 64 -1.720 7.284 -4.654 1.00 1.18 H new ATOM 0 HH TYR A 64 -3.836 8.789 -3.480 1.00 1.37 H new ATOM 997 N GLN A 65 2.858 9.893 -4.830 1.00 0.90 N ATOM 998 CA GLN A 65 2.450 10.284 -6.166 1.00 0.93 C ATOM 999 C GLN A 65 2.411 9.057 -7.059 1.00 0.87 C ATOM 1000 O GLN A 65 3.447 8.468 -7.355 1.00 0.86 O ATOM 1001 CB GLN A 65 3.406 11.328 -6.745 1.00 1.03 C ATOM 1002 CG GLN A 65 3.438 12.643 -5.971 1.00 1.59 C ATOM 1003 CD GLN A 65 2.235 13.542 -6.236 1.00 2.07 C ATOM 1004 OE1 GLN A 65 2.345 14.766 -6.170 1.00 2.64 O ATOM 1005 NE2 GLN A 65 1.081 12.957 -6.520 1.00 2.63 N ATOM 0 H GLN A 65 3.715 9.340 -4.800 1.00 0.90 H new ATOM 0 HA GLN A 65 1.457 10.730 -6.114 1.00 0.93 H new ATOM 0 HB2 GLN A 65 4.412 10.909 -6.770 1.00 1.03 H new ATOM 0 HB3 GLN A 65 3.121 11.533 -7.777 1.00 1.03 H new ATOM 0 HG2 GLN A 65 3.489 12.425 -4.904 1.00 1.59 H new ATOM 0 HG3 GLN A 65 4.348 13.184 -6.230 1.00 1.59 H new ATOM 0 HE21 GLN A 65 1.023 11.940 -6.567 1.00 2.63 H new ATOM 0 HE22 GLN A 65 0.250 13.524 -6.691 1.00 2.63 H new ATOM 1014 N ILE A 66 1.220 8.660 -7.464 1.00 0.88 N ATOM 1015 CA ILE A 66 1.061 7.475 -8.291 1.00 0.86 C ATOM 1016 C ILE A 66 0.805 7.867 -9.748 1.00 0.98 C ATOM 1017 O ILE A 66 -0.301 8.264 -10.128 1.00 1.11 O ATOM 1018 CB ILE A 66 -0.066 6.547 -7.756 1.00 0.92 C ATOM 1019 CG1 ILE A 66 -0.285 5.361 -8.704 1.00 1.02 C ATOM 1020 CG2 ILE A 66 -1.363 7.319 -7.531 1.00 1.28 C ATOM 1021 CD1 ILE A 66 -1.338 4.383 -8.224 1.00 1.13 C ATOM 0 H ILE A 66 0.349 9.138 -7.235 1.00 0.88 H new ATOM 0 HA ILE A 66 1.992 6.911 -8.244 1.00 0.86 H new ATOM 0 HB ILE A 66 0.252 6.156 -6.789 1.00 0.92 H new ATOM 0 HG12 ILE A 66 -0.574 5.740 -9.684 1.00 1.02 H new ATOM 0 HG13 ILE A 66 0.659 4.831 -8.832 1.00 1.02 H new ATOM 0 HG21 ILE A 66 -2.130 6.641 -7.157 1.00 1.28 H new ATOM 0 HG22 ILE A 66 -1.193 8.112 -6.802 1.00 1.28 H new ATOM 0 HG23 ILE A 66 -1.694 7.757 -8.473 1.00 1.28 H new ATOM 0 HD11 ILE A 66 -1.437 3.572 -8.945 1.00 1.13 H new ATOM 0 HD12 ILE A 66 -1.042 3.975 -7.258 1.00 1.13 H new ATOM 0 HD13 ILE A 66 -2.294 4.898 -8.123 1.00 1.13 H new ATOM 1033 N ASP A 67 1.851 7.770 -10.553 1.00 1.04 N ATOM 1034 CA ASP A 67 1.779 8.129 -11.961 1.00 1.25 C ATOM 1035 C ASP A 67 2.098 6.910 -12.818 1.00 1.20 C ATOM 1036 O ASP A 67 3.260 6.506 -12.931 1.00 1.13 O ATOM 1037 CB ASP A 67 2.764 9.264 -12.280 1.00 1.45 C ATOM 1038 CG ASP A 67 2.541 10.507 -11.437 1.00 1.82 C ATOM 1039 OD1 ASP A 67 1.631 11.295 -11.767 1.00 2.28 O ATOM 1040 OD2 ASP A 67 3.256 10.690 -10.427 1.00 2.29 O ATOM 0 H ASP A 67 2.769 7.442 -10.252 1.00 1.04 H new ATOM 0 HA ASP A 67 0.769 8.474 -12.183 1.00 1.25 H new ATOM 0 HB2 ASP A 67 3.782 8.906 -12.126 1.00 1.45 H new ATOM 0 HB3 ASP A 67 2.675 9.527 -13.334 1.00 1.45 H new ATOM 1045 N GLY A 68 1.070 6.337 -13.423 1.00 1.28 N ATOM 1046 CA GLY A 68 1.239 5.114 -14.192 1.00 1.30 C ATOM 1047 C GLY A 68 1.731 3.959 -13.339 1.00 1.14 C ATOM 1048 O GLY A 68 0.988 3.413 -12.522 1.00 1.18 O ATOM 0 H GLY A 68 0.116 6.696 -13.397 1.00 1.28 H new ATOM 0 HA2 GLY A 68 0.289 4.843 -14.653 1.00 1.30 H new ATOM 0 HA3 GLY A 68 1.947 5.292 -15.002 1.00 1.30 H new ATOM 1052 N ASN A 69 2.987 3.584 -13.532 1.00 1.03 N ATOM 1053 CA ASN A 69 3.607 2.523 -12.742 1.00 0.94 C ATOM 1054 C ASN A 69 4.702 3.101 -11.853 1.00 0.75 C ATOM 1055 O ASN A 69 5.461 2.370 -11.217 1.00 0.69 O ATOM 1056 CB ASN A 69 4.199 1.439 -13.657 1.00 1.06 C ATOM 1057 CG ASN A 69 5.453 1.894 -14.390 1.00 1.67 C ATOM 1058 OD1 ASN A 69 5.649 3.086 -14.642 1.00 2.35 O ATOM 1059 ND2 ASN A 69 6.305 0.948 -14.753 1.00 2.29 N ATOM 0 H ASN A 69 3.602 3.999 -14.232 1.00 1.03 H new ATOM 0 HA ASN A 69 2.838 2.070 -12.116 1.00 0.94 H new ATOM 0 HB2 ASN A 69 4.434 0.557 -13.061 1.00 1.06 H new ATOM 0 HB3 ASN A 69 3.448 1.139 -14.387 1.00 1.06 H new ATOM 0 HD21 ASN A 69 7.156 1.195 -15.258 1.00 2.29 H new ATOM 0 HD22 ASN A 69 6.110 -0.028 -14.528 1.00 2.29 H new ATOM 1066 N THR A 70 4.769 4.423 -11.813 1.00 0.74 N ATOM 1067 CA THR A 70 5.802 5.117 -11.072 1.00 0.68 C ATOM 1068 C THR A 70 5.207 5.835 -9.862 1.00 0.63 C ATOM 1069 O THR A 70 4.233 6.577 -9.978 1.00 0.71 O ATOM 1070 CB THR A 70 6.534 6.123 -11.982 1.00 0.85 C ATOM 1071 OG1 THR A 70 7.055 5.431 -13.127 1.00 0.97 O ATOM 1072 CG2 THR A 70 7.672 6.815 -11.242 1.00 0.89 C ATOM 0 H THR A 70 4.111 5.039 -12.291 1.00 0.74 H new ATOM 0 HA THR A 70 6.522 4.379 -10.717 1.00 0.68 H new ATOM 0 HB THR A 70 5.822 6.887 -12.295 1.00 0.85 H new ATOM 0 HG1 THR A 70 7.520 6.067 -13.710 1.00 0.97 H new ATOM 0 HG21 THR A 70 8.167 7.518 -11.912 1.00 0.89 H new ATOM 0 HG22 THR A 70 7.273 7.353 -10.382 1.00 0.89 H new ATOM 0 HG23 THR A 70 8.391 6.070 -10.902 1.00 0.89 H new ATOM 1080 N VAL A 71 5.805 5.603 -8.707 1.00 0.56 N ATOM 1081 CA VAL A 71 5.322 6.159 -7.460 1.00 0.58 C ATOM 1082 C VAL A 71 6.415 7.002 -6.818 1.00 0.57 C ATOM 1083 O VAL A 71 7.516 6.519 -6.573 1.00 0.57 O ATOM 1084 CB VAL A 71 4.892 5.048 -6.476 1.00 0.60 C ATOM 1085 CG1 VAL A 71 4.234 5.647 -5.241 1.00 0.68 C ATOM 1086 CG2 VAL A 71 3.965 4.052 -7.159 1.00 0.65 C ATOM 0 H VAL A 71 6.639 5.024 -8.609 1.00 0.56 H new ATOM 0 HA VAL A 71 4.452 6.777 -7.682 1.00 0.58 H new ATOM 0 HB VAL A 71 5.785 4.512 -6.155 1.00 0.60 H new ATOM 0 HG11 VAL A 71 3.939 4.847 -4.562 1.00 0.68 H new ATOM 0 HG12 VAL A 71 4.939 6.309 -4.738 1.00 0.68 H new ATOM 0 HG13 VAL A 71 3.352 6.215 -5.538 1.00 0.68 H new ATOM 0 HG21 VAL A 71 3.675 3.279 -6.448 1.00 0.65 H new ATOM 0 HG22 VAL A 71 3.075 4.569 -7.516 1.00 0.65 H new ATOM 0 HG23 VAL A 71 4.481 3.594 -8.003 1.00 0.65 H new ATOM 1096 N THR A 72 6.113 8.258 -6.558 1.00 0.63 N ATOM 1097 CA THR A 72 7.082 9.157 -5.960 1.00 0.66 C ATOM 1098 C THR A 72 6.735 9.414 -4.498 1.00 0.70 C ATOM 1099 O THR A 72 5.610 9.802 -4.178 1.00 0.78 O ATOM 1100 CB THR A 72 7.144 10.495 -6.720 1.00 0.75 C ATOM 1101 OG1 THR A 72 7.363 10.253 -8.118 1.00 0.76 O ATOM 1102 CG2 THR A 72 8.257 11.381 -6.176 1.00 0.80 C ATOM 0 H THR A 72 5.205 8.680 -6.751 1.00 0.63 H new ATOM 0 HA THR A 72 8.060 8.679 -6.021 1.00 0.66 H new ATOM 0 HB THR A 72 6.193 11.009 -6.581 1.00 0.75 H new ATOM 0 HG1 THR A 72 7.400 11.108 -8.596 1.00 0.76 H new ATOM 0 HG21 THR A 72 8.279 12.319 -6.730 1.00 0.80 H new ATOM 0 HG22 THR A 72 8.076 11.587 -5.121 1.00 0.80 H new ATOM 0 HG23 THR A 72 9.214 10.872 -6.287 1.00 0.80 H new ATOM 1110 N VAL A 73 7.697 9.167 -3.618 1.00 0.70 N ATOM 1111 CA VAL A 73 7.519 9.419 -2.199 1.00 0.76 C ATOM 1112 C VAL A 73 8.191 10.733 -1.827 1.00 0.90 C ATOM 1113 O VAL A 73 9.397 10.783 -1.579 1.00 1.01 O ATOM 1114 CB VAL A 73 8.099 8.275 -1.334 1.00 0.79 C ATOM 1115 CG1 VAL A 73 7.799 8.509 0.142 1.00 0.89 C ATOM 1116 CG2 VAL A 73 7.550 6.928 -1.785 1.00 0.75 C ATOM 0 H VAL A 73 8.612 8.791 -3.867 1.00 0.70 H new ATOM 0 HA VAL A 73 6.449 9.476 -2.001 1.00 0.76 H new ATOM 0 HB VAL A 73 9.181 8.265 -1.465 1.00 0.79 H new ATOM 0 HG11 VAL A 73 8.216 7.693 0.732 1.00 0.89 H new ATOM 0 HG12 VAL A 73 8.246 9.451 0.459 1.00 0.89 H new ATOM 0 HG13 VAL A 73 6.720 8.551 0.292 1.00 0.89 H new ATOM 0 HG21 VAL A 73 7.971 6.137 -1.164 1.00 0.75 H new ATOM 0 HG22 VAL A 73 6.464 6.927 -1.688 1.00 0.75 H new ATOM 0 HG23 VAL A 73 7.822 6.755 -2.826 1.00 0.75 H new ATOM 1126 N THR A 74 7.407 11.795 -1.811 1.00 0.97 N ATOM 1127 CA THR A 74 7.935 13.121 -1.553 1.00 1.15 C ATOM 1128 C THR A 74 7.551 13.594 -0.151 1.00 1.11 C ATOM 1129 O THR A 74 6.498 13.223 0.380 1.00 0.99 O ATOM 1130 CB THR A 74 7.439 14.132 -2.614 1.00 1.38 C ATOM 1131 OG1 THR A 74 8.077 15.403 -2.430 1.00 1.87 O ATOM 1132 CG2 THR A 74 5.928 14.307 -2.551 1.00 1.47 C ATOM 0 H THR A 74 6.401 11.765 -1.974 1.00 0.97 H new ATOM 0 HA THR A 74 9.022 13.065 -1.615 1.00 1.15 H new ATOM 0 HB THR A 74 7.699 13.733 -3.595 1.00 1.38 H new ATOM 0 HG1 THR A 74 7.755 16.032 -3.109 1.00 1.87 H new ATOM 0 HG21 THR A 74 5.613 15.024 -3.309 1.00 1.47 H new ATOM 0 HG22 THR A 74 5.443 13.348 -2.734 1.00 1.47 H new ATOM 0 HG23 THR A 74 5.645 14.675 -1.565 1.00 1.47 H new ATOM 1140 N ALA A 75 8.415 14.396 0.453 1.00 1.29 N ATOM 1141 CA ALA A 75 8.170 14.914 1.780 1.00 1.36 C ATOM 1142 C ALA A 75 7.702 16.361 1.712 1.00 1.48 C ATOM 1143 O ALA A 75 8.474 17.262 1.387 1.00 1.72 O ATOM 1144 CB ALA A 75 9.424 14.797 2.637 1.00 1.56 C ATOM 0 H ALA A 75 9.296 14.701 0.038 1.00 1.29 H new ATOM 0 HA ALA A 75 7.381 14.320 2.241 1.00 1.36 H new ATOM 0 HB1 ALA A 75 9.222 15.192 3.633 1.00 1.56 H new ATOM 0 HB2 ALA A 75 9.716 13.750 2.714 1.00 1.56 H new ATOM 0 HB3 ALA A 75 10.233 15.366 2.178 1.00 1.56 H new ATOM 1150 N SER A 76 6.428 16.578 2.001 1.00 1.52 N ATOM 1151 CA SER A 76 5.874 17.921 2.026 1.00 1.75 C ATOM 1152 C SER A 76 6.196 18.607 3.352 1.00 2.24 C ATOM 1153 O SER A 76 6.345 19.829 3.422 1.00 2.81 O ATOM 1154 CB SER A 76 4.364 17.854 1.807 1.00 2.10 C ATOM 1155 OG SER A 76 3.780 16.867 2.638 1.00 2.68 O ATOM 0 H SER A 76 5.759 15.840 2.221 1.00 1.52 H new ATOM 0 HA SER A 76 6.323 18.508 1.225 1.00 1.75 H new ATOM 0 HB2 SER A 76 3.917 18.825 2.019 1.00 2.10 H new ATOM 0 HB3 SER A 76 4.153 17.628 0.762 1.00 2.10 H new ATOM 0 HG SER A 76 2.928 17.199 2.991 1.00 2.68 H new ATOM 1161 N ALA A 77 6.317 17.804 4.400 1.00 2.71 N ATOM 1162 CA ALA A 77 6.629 18.314 5.724 1.00 3.56 C ATOM 1163 C ALA A 77 8.134 18.310 5.961 1.00 4.02 C ATOM 1164 O ALA A 77 8.687 17.372 6.538 1.00 4.62 O ATOM 1165 CB ALA A 77 5.914 17.487 6.787 1.00 4.29 C ATOM 0 H ALA A 77 6.203 16.791 4.356 1.00 2.71 H new ATOM 0 HA ALA A 77 6.279 19.344 5.791 1.00 3.56 H new ATOM 0 HB1 ALA A 77 6.155 17.878 7.775 1.00 4.29 H new ATOM 0 HB2 ALA A 77 4.837 17.542 6.628 1.00 4.29 H new ATOM 0 HB3 ALA A 77 6.238 16.448 6.719 1.00 4.29 H new ATOM 1171 N ALA A 78 8.800 19.355 5.497 1.00 4.20 N ATOM 1172 CA ALA A 78 10.229 19.504 5.711 1.00 5.03 C ATOM 1173 C ALA A 78 10.488 20.083 7.097 1.00 5.55 C ATOM 1174 O ALA A 78 10.950 21.221 7.231 1.00 5.99 O ATOM 1175 CB ALA A 78 10.835 20.386 4.632 1.00 5.72 C ATOM 0 H ALA A 78 8.371 20.115 4.968 1.00 4.20 H new ATOM 0 HA ALA A 78 10.703 18.524 5.652 1.00 5.03 H new ATOM 0 HB1 ALA A 78 11.906 20.489 4.805 1.00 5.72 H new ATOM 0 HB2 ALA A 78 10.667 19.933 3.655 1.00 5.72 H new ATOM 0 HB3 ALA A 78 10.367 21.370 4.661 1.00 5.72 H new ATOM 1181 N ALA A 79 10.158 19.292 8.122 1.00 5.86 N ATOM 1182 CA ALA A 79 10.261 19.722 9.513 1.00 6.63 C ATOM 1183 C ALA A 79 9.443 20.992 9.738 1.00 7.15 C ATOM 1184 O ALA A 79 8.435 21.215 9.062 1.00 7.46 O ATOM 1185 CB ALA A 79 11.720 19.931 9.904 1.00 6.90 C ATOM 0 H ALA A 79 9.813 18.339 8.008 1.00 5.86 H new ATOM 0 HA ALA A 79 9.853 18.938 10.152 1.00 6.63 H new ATOM 0 HB1 ALA A 79 11.776 20.251 10.944 1.00 6.90 H new ATOM 0 HB2 ALA A 79 12.267 18.996 9.783 1.00 6.90 H new ATOM 0 HB3 ALA A 79 12.162 20.695 9.265 1.00 6.90 H new ATOM 1191 N LYS A 80 9.854 21.809 10.692 1.00 7.55 N ATOM 1192 CA LYS A 80 9.216 23.098 10.895 1.00 8.34 C ATOM 1193 C LYS A 80 10.202 24.209 10.567 1.00 8.95 C ATOM 1194 O LYS A 80 9.973 24.993 9.643 1.00 9.25 O ATOM 1195 CB LYS A 80 8.695 23.238 12.329 1.00 8.77 C ATOM 1196 CG LYS A 80 7.857 24.491 12.540 1.00 9.05 C ATOM 1197 CD LYS A 80 7.212 24.517 13.918 1.00 9.51 C ATOM 1198 CE LYS A 80 6.280 25.708 14.073 1.00 10.08 C ATOM 1199 NZ LYS A 80 5.148 25.656 13.109 1.00 10.73 N ATOM 0 H LYS A 80 10.620 21.605 11.334 1.00 7.55 H new ATOM 0 HA LYS A 80 8.357 23.174 10.228 1.00 8.34 H new ATOM 0 HB2 LYS A 80 8.097 22.362 12.579 1.00 8.77 H new ATOM 0 HB3 LYS A 80 9.541 23.254 13.017 1.00 8.77 H new ATOM 0 HG2 LYS A 80 8.485 25.373 12.417 1.00 9.05 H new ATOM 0 HG3 LYS A 80 7.082 24.542 11.775 1.00 9.05 H new ATOM 0 HD2 LYS A 80 6.655 23.594 14.078 1.00 9.51 H new ATOM 0 HD3 LYS A 80 7.987 24.558 14.683 1.00 9.51 H new ATOM 0 HE2 LYS A 80 5.890 25.733 15.090 1.00 10.08 H new ATOM 0 HE3 LYS A 80 6.842 26.630 13.924 1.00 10.08 H new ATOM 0 HZ1 LYS A 80 4.395 26.302 13.422 1.00 10.73 H new ATOM 0 HZ2 LYS A 80 5.481 25.943 12.167 1.00 10.73 H new ATOM 0 HZ3 LYS A 80 4.775 24.686 13.064 1.00 10.73 H new ATOM 1213 N ASP A 81 11.299 24.254 11.322 1.00 9.36 N ATOM 1214 CA ASP A 81 12.390 25.194 11.066 1.00 10.16 C ATOM 1215 C ASP A 81 11.875 26.624 11.034 1.00 10.60 C ATOM 1216 O ASP A 81 12.003 27.331 10.030 1.00 11.03 O ATOM 1217 CB ASP A 81 13.118 24.844 9.758 1.00 10.60 C ATOM 1218 CG ASP A 81 14.009 23.622 9.892 1.00 11.07 C ATOM 1219 OD1 ASP A 81 13.542 22.585 10.402 1.00 11.19 O ATOM 1220 OD2 ASP A 81 15.194 23.700 9.497 1.00 11.50 O ATOM 0 H ASP A 81 11.456 23.644 12.124 1.00 9.36 H new ATOM 0 HA ASP A 81 13.107 25.112 11.883 1.00 10.16 H new ATOM 0 HB2 ASP A 81 12.382 24.668 8.973 1.00 10.60 H new ATOM 0 HB3 ASP A 81 13.721 25.696 9.444 1.00 10.60 H new ATOM 1225 N GLY A 82 11.275 27.034 12.137 1.00 10.72 N ATOM 1226 CA GLY A 82 10.714 28.360 12.239 1.00 11.37 C ATOM 1227 C GLY A 82 9.864 28.490 13.478 1.00 11.77 C ATOM 1228 O GLY A 82 10.161 27.790 14.470 1.00 12.00 O ATOM 1229 OXT GLY A 82 8.894 29.272 13.467 1.00 12.03 O ATOM 0 H GLY A 82 11.166 26.462 12.975 1.00 10.72 H new ATOM 0 HA2 GLY A 82 11.516 29.098 12.264 1.00 11.37 H new ATOM 0 HA3 GLY A 82 10.112 28.574 11.356 1.00 11.37 H new TER 1233 GLY A 82