USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 558 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 47 HIS : no HD1:sc= 1.03 K(o=2.3,f=-6.9!) USER MOD Set 1.2: A 51 SER OG : rot -114:sc= 1.31 USER MOD Set 2.1: A 11 GLN : amide:sc= -0.82 K(o=-0.82,f=0) USER MOD Set 2.2: A 15 SER OG : rot 140:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00139 USER MOD Single : A 13 MET CE :methyl 159:sc= -0.145 (180deg=-0.748) USER MOD Single : A 14 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.4) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0855) USER MOD Single : A 23 GLN : amide:sc= -0.752 K(o=-0.75,f=-5.7!) USER MOD Single : A 24 THR OG1 : rot 73:sc= 1.11 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.912 USER MOD Single : A 27 GLN : amide:sc= -0.0208 K(o=-0.021,f=-1.2) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.507 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 106:sc= 0.344 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot -81:sc= 0.906 USER MOD Single : A 58 GLN : amide:sc= -1.4! K(o=-1.4!,f=-0.035) USER MOD Single : A 60 THR OG1 : rot -83:sc= 1.27 USER MOD Single : A 64 TYR OH : rot 100:sc= 1.05 USER MOD Single : A 65 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.3) USER MOD Single : A 69 ASN : amide:sc= 0.119 K(o=0.12,f=-4.1!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 3 -5.517 -7.759 -5.768 1.00 0.57 N ATOM 32 CA GLU A 3 -4.671 -7.258 -4.701 1.00 0.47 C ATOM 33 C GLU A 3 -3.364 -8.031 -4.677 1.00 0.42 C ATOM 34 O GLU A 3 -3.223 -9.055 -5.348 1.00 0.50 O ATOM 35 CB GLU A 3 -5.364 -7.383 -3.335 1.00 0.58 C ATOM 36 CG GLU A 3 -6.683 -6.630 -3.221 1.00 0.70 C ATOM 37 CD GLU A 3 -7.841 -7.367 -3.858 1.00 1.26 C ATOM 38 OE1 GLU A 3 -8.276 -8.400 -3.315 1.00 1.35 O ATOM 39 OE2 GLU A 3 -8.337 -6.909 -4.908 1.00 1.99 O ATOM 0 HA GLU A 3 -4.475 -6.203 -4.892 1.00 0.47 H new ATOM 0 HB2 GLU A 3 -5.544 -8.438 -3.129 1.00 0.58 H new ATOM 0 HB3 GLU A 3 -4.685 -7.019 -2.564 1.00 0.58 H new ATOM 0 HG2 GLU A 3 -6.906 -6.455 -2.168 1.00 0.70 H new ATOM 0 HG3 GLU A 3 -6.579 -5.652 -3.691 1.00 0.70 H new ATOM 46 N TRP A 4 -2.430 -7.559 -3.879 1.00 0.36 N ATOM 47 CA TRP A 4 -1.122 -8.176 -3.788 1.00 0.38 C ATOM 48 C TRP A 4 -0.870 -8.681 -2.381 1.00 0.34 C ATOM 49 O TRP A 4 -1.370 -8.116 -1.405 1.00 0.34 O ATOM 50 CB TRP A 4 -0.025 -7.183 -4.166 1.00 0.45 C ATOM 51 CG TRP A 4 0.123 -6.946 -5.636 1.00 0.57 C ATOM 52 CD1 TRP A 4 0.766 -7.748 -6.534 1.00 1.00 C ATOM 53 CD2 TRP A 4 -0.349 -5.815 -6.373 1.00 0.51 C ATOM 54 NE1 TRP A 4 0.723 -7.182 -7.785 1.00 1.17 N ATOM 55 CE2 TRP A 4 0.042 -5.997 -7.712 1.00 0.84 C ATOM 56 CE3 TRP A 4 -1.066 -4.669 -6.033 1.00 0.53 C ATOM 57 CZ2 TRP A 4 -0.255 -5.071 -8.705 1.00 0.89 C ATOM 58 CZ3 TRP A 4 -1.363 -3.751 -7.019 1.00 0.60 C ATOM 59 CH2 TRP A 4 -0.957 -3.957 -8.342 1.00 0.65 C ATOM 0 H TRP A 4 -2.553 -6.743 -3.279 1.00 0.36 H new ATOM 0 HA TRP A 4 -1.102 -9.014 -4.485 1.00 0.38 H new ATOM 0 HB2 TRP A 4 -0.231 -6.231 -3.677 1.00 0.45 H new ATOM 0 HB3 TRP A 4 0.925 -7.544 -3.772 1.00 0.45 H new ATOM 0 HD1 TRP A 4 1.239 -8.689 -6.296 1.00 1.00 H new ATOM 0 HE1 TRP A 4 1.132 -7.580 -8.630 1.00 1.17 H new ATOM 0 HE3 TRP A 4 -1.384 -4.502 -5.014 1.00 0.53 H new ATOM 0 HZ2 TRP A 4 0.058 -5.227 -9.727 1.00 0.89 H new ATOM 0 HZ3 TRP A 4 -1.918 -2.859 -6.766 1.00 0.60 H new ATOM 0 HH2 TRP A 4 -1.204 -3.220 -9.092 1.00 0.65 H new ATOM 70 N THR A 5 -0.095 -9.745 -2.283 1.00 0.37 N ATOM 71 CA THR A 5 0.352 -10.236 -1.001 1.00 0.39 C ATOM 72 C THR A 5 1.688 -9.579 -0.685 1.00 0.35 C ATOM 73 O THR A 5 2.739 -9.994 -1.179 1.00 0.44 O ATOM 74 CB THR A 5 0.499 -11.769 -1.013 1.00 0.55 C ATOM 75 OG1 THR A 5 -0.705 -12.367 -1.519 1.00 1.13 O ATOM 76 CG2 THR A 5 0.779 -12.300 0.385 1.00 1.11 C ATOM 0 H THR A 5 0.237 -10.285 -3.082 1.00 0.37 H new ATOM 0 HA THR A 5 -0.385 -9.988 -0.237 1.00 0.39 H new ATOM 0 HB THR A 5 1.340 -12.027 -1.657 1.00 0.55 H new ATOM 0 HG1 THR A 5 -0.608 -13.342 -1.527 1.00 1.13 H new ATOM 0 HG21 THR A 5 0.879 -13.385 0.349 1.00 1.11 H new ATOM 0 HG22 THR A 5 1.704 -11.863 0.762 1.00 1.11 H new ATOM 0 HG23 THR A 5 -0.044 -12.033 1.047 1.00 1.11 H new ATOM 84 N LEU A 6 1.634 -8.531 0.120 1.00 0.30 N ATOM 85 CA LEU A 6 2.793 -7.688 0.337 1.00 0.34 C ATOM 86 C LEU A 6 3.316 -7.812 1.756 1.00 0.42 C ATOM 87 O LEU A 6 2.598 -7.526 2.711 1.00 0.75 O ATOM 88 CB LEU A 6 2.436 -6.227 0.054 1.00 0.42 C ATOM 89 CG LEU A 6 1.899 -5.947 -1.350 1.00 0.47 C ATOM 90 CD1 LEU A 6 1.461 -4.499 -1.468 1.00 0.66 C ATOM 91 CD2 LEU A 6 2.950 -6.267 -2.401 1.00 0.53 C ATOM 0 H LEU A 6 0.800 -8.246 0.633 1.00 0.30 H new ATOM 0 HA LEU A 6 3.575 -8.019 -0.346 1.00 0.34 H new ATOM 0 HB2 LEU A 6 1.691 -5.905 0.781 1.00 0.42 H new ATOM 0 HB3 LEU A 6 3.324 -5.615 0.215 1.00 0.42 H new ATOM 0 HG LEU A 6 1.035 -6.589 -1.521 1.00 0.47 H new ATOM 0 HD11 LEU A 6 1.081 -4.315 -2.473 1.00 0.66 H new ATOM 0 HD12 LEU A 6 0.675 -4.296 -0.740 1.00 0.66 H new ATOM 0 HD13 LEU A 6 2.311 -3.845 -1.276 1.00 0.66 H new ATOM 0 HD21 LEU A 6 2.547 -6.061 -3.393 1.00 0.53 H new ATOM 0 HD22 LEU A 6 3.833 -5.650 -2.232 1.00 0.53 H new ATOM 0 HD23 LEU A 6 3.224 -7.320 -2.333 1.00 0.53 H new ATOM 103 N ASP A 7 4.556 -8.256 1.887 1.00 0.38 N ATOM 104 CA ASP A 7 5.249 -8.213 3.165 1.00 0.44 C ATOM 105 C ASP A 7 6.088 -6.948 3.238 1.00 0.39 C ATOM 106 O ASP A 7 7.002 -6.755 2.433 1.00 0.46 O ATOM 107 CB ASP A 7 6.144 -9.442 3.353 1.00 0.58 C ATOM 108 CG ASP A 7 7.070 -9.303 4.549 1.00 1.30 C ATOM 109 OD1 ASP A 7 6.570 -9.258 5.695 1.00 1.67 O ATOM 110 OD2 ASP A 7 8.301 -9.246 4.352 1.00 2.12 O ATOM 0 H ASP A 7 5.104 -8.651 1.123 1.00 0.38 H new ATOM 0 HA ASP A 7 4.506 -8.214 3.962 1.00 0.44 H new ATOM 0 HB2 ASP A 7 5.520 -10.327 3.480 1.00 0.58 H new ATOM 0 HB3 ASP A 7 6.738 -9.597 2.452 1.00 0.58 H new ATOM 115 N ILE A 8 5.754 -6.070 4.164 1.00 0.35 N ATOM 116 CA ILE A 8 6.496 -4.833 4.332 1.00 0.32 C ATOM 117 C ILE A 8 7.380 -4.911 5.570 1.00 0.30 C ATOM 118 O ILE A 8 6.893 -5.143 6.679 1.00 0.35 O ATOM 119 CB ILE A 8 5.551 -3.614 4.434 1.00 0.37 C ATOM 120 CG1 ILE A 8 4.811 -3.410 3.107 1.00 0.52 C ATOM 121 CG2 ILE A 8 6.319 -2.356 4.819 1.00 0.44 C ATOM 122 CD1 ILE A 8 5.733 -3.201 1.923 1.00 0.91 C ATOM 0 H ILE A 8 4.975 -6.189 4.811 1.00 0.35 H new ATOM 0 HA ILE A 8 7.122 -4.701 3.450 1.00 0.32 H new ATOM 0 HB ILE A 8 4.820 -3.811 5.218 1.00 0.37 H new ATOM 0 HG12 ILE A 8 4.179 -4.278 2.916 1.00 0.52 H new ATOM 0 HG13 ILE A 8 4.150 -2.548 3.198 1.00 0.52 H new ATOM 0 HG21 ILE A 8 5.630 -1.514 4.883 1.00 0.44 H new ATOM 0 HG22 ILE A 8 6.801 -2.505 5.785 1.00 0.44 H new ATOM 0 HG23 ILE A 8 7.077 -2.147 4.064 1.00 0.44 H new ATOM 0 HD11 ILE A 8 5.139 -3.064 1.019 1.00 0.91 H new ATOM 0 HD12 ILE A 8 6.347 -2.316 2.092 1.00 0.91 H new ATOM 0 HD13 ILE A 8 6.377 -4.072 1.805 1.00 0.91 H new ATOM 134 N PRO A 9 8.698 -4.752 5.380 1.00 0.26 N ATOM 135 CA PRO A 9 9.674 -4.774 6.473 1.00 0.26 C ATOM 136 C PRO A 9 9.422 -3.682 7.507 1.00 0.27 C ATOM 137 O PRO A 9 8.984 -2.581 7.176 1.00 0.32 O ATOM 138 CB PRO A 9 11.014 -4.525 5.772 1.00 0.29 C ATOM 139 CG PRO A 9 10.781 -4.905 4.352 1.00 0.35 C ATOM 140 CD PRO A 9 9.349 -4.559 4.074 1.00 0.29 C ATOM 0 HA PRO A 9 9.629 -5.713 7.025 1.00 0.26 H new ATOM 0 HB2 PRO A 9 11.316 -3.481 5.857 1.00 0.29 H new ATOM 0 HB3 PRO A 9 11.809 -5.124 6.216 1.00 0.29 H new ATOM 0 HG2 PRO A 9 11.452 -4.363 3.686 1.00 0.35 H new ATOM 0 HG3 PRO A 9 10.966 -5.968 4.195 1.00 0.35 H new ATOM 0 HD2 PRO A 9 9.244 -3.534 3.719 1.00 0.29 H new ATOM 0 HD3 PRO A 9 8.919 -5.207 3.310 1.00 0.29 H new ATOM 148 N ALA A 10 9.718 -3.999 8.758 1.00 0.30 N ATOM 149 CA ALA A 10 9.610 -3.040 9.849 1.00 0.33 C ATOM 150 C ALA A 10 10.985 -2.487 10.187 1.00 0.35 C ATOM 151 O ALA A 10 11.278 -2.139 11.332 1.00 0.43 O ATOM 152 CB ALA A 10 8.976 -3.694 11.067 1.00 0.41 C ATOM 0 H ALA A 10 10.038 -4.924 9.046 1.00 0.30 H new ATOM 0 HA ALA A 10 8.970 -2.215 9.537 1.00 0.33 H new ATOM 0 HB1 ALA A 10 8.902 -2.965 11.874 1.00 0.41 H new ATOM 0 HB2 ALA A 10 7.980 -4.053 10.810 1.00 0.41 H new ATOM 0 HB3 ALA A 10 9.592 -4.533 11.391 1.00 0.41 H new ATOM 158 N GLN A 11 11.832 -2.439 9.174 1.00 0.34 N ATOM 159 CA GLN A 11 13.174 -1.905 9.310 1.00 0.40 C ATOM 160 C GLN A 11 13.178 -0.441 8.889 1.00 0.35 C ATOM 161 O GLN A 11 12.141 0.221 8.927 1.00 0.37 O ATOM 162 CB GLN A 11 14.148 -2.699 8.435 1.00 0.53 C ATOM 163 CG GLN A 11 14.110 -4.201 8.675 1.00 0.96 C ATOM 164 CD GLN A 11 15.070 -4.953 7.776 1.00 0.90 C ATOM 165 OE1 GLN A 11 16.222 -5.196 8.139 1.00 1.61 O ATOM 166 NE2 GLN A 11 14.605 -5.320 6.591 1.00 0.90 N ATOM 0 H GLN A 11 11.608 -2.769 8.235 1.00 0.34 H new ATOM 0 HA GLN A 11 13.490 -1.987 10.350 1.00 0.40 H new ATOM 0 HB2 GLN A 11 13.922 -2.503 7.387 1.00 0.53 H new ATOM 0 HB3 GLN A 11 15.160 -2.338 8.616 1.00 0.53 H new ATOM 0 HG2 GLN A 11 14.356 -4.406 9.717 1.00 0.96 H new ATOM 0 HG3 GLN A 11 13.097 -4.568 8.508 1.00 0.96 H new ATOM 0 HE21 GLN A 11 13.644 -5.099 6.329 1.00 0.90 H new ATOM 0 HE22 GLN A 11 15.208 -5.824 5.940 1.00 0.90 H new ATOM 175 N SER A 12 14.343 0.054 8.500 1.00 0.38 N ATOM 176 CA SER A 12 14.470 1.400 7.970 1.00 0.40 C ATOM 177 C SER A 12 13.493 1.606 6.812 1.00 0.36 C ATOM 178 O SER A 12 13.264 0.703 6.006 1.00 0.34 O ATOM 179 CB SER A 12 15.907 1.623 7.500 1.00 0.50 C ATOM 180 OG SER A 12 16.827 1.273 8.524 1.00 1.30 O ATOM 0 H SER A 12 15.221 -0.463 8.543 1.00 0.38 H new ATOM 0 HA SER A 12 14.231 2.121 8.751 1.00 0.40 H new ATOM 0 HB2 SER A 12 16.101 1.025 6.609 1.00 0.50 H new ATOM 0 HB3 SER A 12 16.046 2.667 7.220 1.00 0.50 H new ATOM 0 HG SER A 12 17.742 1.420 8.206 1.00 1.30 H new ATOM 186 N MET A 13 12.909 2.799 6.773 1.00 0.42 N ATOM 187 CA MET A 13 11.909 3.175 5.772 1.00 0.46 C ATOM 188 C MET A 13 12.395 2.884 4.355 1.00 0.42 C ATOM 189 O MET A 13 11.598 2.552 3.479 1.00 0.45 O ATOM 190 CB MET A 13 11.576 4.662 5.913 1.00 0.61 C ATOM 191 CG MET A 13 10.450 5.134 5.002 1.00 0.68 C ATOM 192 SD MET A 13 8.867 4.364 5.390 1.00 1.29 S ATOM 193 CE MET A 13 8.615 4.947 7.064 1.00 1.00 C ATOM 0 H MET A 13 13.117 3.542 7.441 1.00 0.42 H new ATOM 0 HA MET A 13 11.015 2.577 5.946 1.00 0.46 H new ATOM 0 HB2 MET A 13 11.302 4.866 6.948 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.471 5.246 5.700 1.00 0.61 H new ATOM 0 HG2 MET A 13 10.352 6.216 5.084 1.00 0.68 H new ATOM 0 HG3 MET A 13 10.711 4.915 3.967 1.00 0.68 H new ATOM 0 HE1 MET A 13 7.556 4.886 7.315 1.00 1.00 H new ATOM 0 HE2 MET A 13 9.188 4.329 7.755 1.00 1.00 H new ATOM 0 HE3 MET A 13 8.947 5.982 7.143 1.00 1.00 H new ATOM 203 N ASN A 14 13.698 3.028 4.139 1.00 0.41 N ATOM 204 CA ASN A 14 14.312 2.706 2.851 1.00 0.45 C ATOM 205 C ASN A 14 14.001 1.269 2.440 1.00 0.41 C ATOM 206 O ASN A 14 13.734 0.994 1.272 1.00 0.47 O ATOM 207 CB ASN A 14 15.831 2.902 2.923 1.00 0.52 C ATOM 208 CG ASN A 14 16.520 2.680 1.586 1.00 1.32 C ATOM 209 OD1 ASN A 14 16.675 3.611 0.798 1.00 2.26 O ATOM 210 ND2 ASN A 14 16.946 1.452 1.329 1.00 1.85 N ATOM 0 H ASN A 14 14.354 3.367 4.842 1.00 0.41 H new ATOM 0 HA ASN A 14 13.895 3.380 2.103 1.00 0.45 H new ATOM 0 HB2 ASN A 14 16.046 3.911 3.274 1.00 0.52 H new ATOM 0 HB3 ASN A 14 16.247 2.214 3.659 1.00 0.52 H new ATOM 0 HD21 ASN A 14 17.423 1.251 0.450 1.00 1.85 H new ATOM 0 HD22 ASN A 14 16.797 0.708 2.010 1.00 1.85 H new ATOM 217 N SER A 15 13.997 0.362 3.412 1.00 0.36 N ATOM 218 CA SER A 15 13.779 -1.051 3.143 1.00 0.36 C ATOM 219 C SER A 15 12.328 -1.285 2.740 1.00 0.32 C ATOM 220 O SER A 15 12.049 -1.994 1.776 1.00 0.32 O ATOM 221 CB SER A 15 14.122 -1.888 4.383 1.00 0.38 C ATOM 222 OG SER A 15 14.031 -3.276 4.117 1.00 1.20 O ATOM 0 H SER A 15 14.143 0.584 4.397 1.00 0.36 H new ATOM 0 HA SER A 15 14.430 -1.357 2.324 1.00 0.36 H new ATOM 0 HB2 SER A 15 15.131 -1.647 4.718 1.00 0.38 H new ATOM 0 HB3 SER A 15 13.445 -1.628 5.197 1.00 0.38 H new ATOM 0 HG SER A 15 14.770 -3.743 4.560 1.00 1.20 H new ATOM 228 N ALA A 16 11.415 -0.656 3.471 1.00 0.31 N ATOM 229 CA ALA A 16 9.989 -0.802 3.217 1.00 0.32 C ATOM 230 C ALA A 16 9.625 -0.282 1.833 1.00 0.30 C ATOM 231 O ALA A 16 8.919 -0.946 1.077 1.00 0.29 O ATOM 232 CB ALA A 16 9.188 -0.065 4.275 1.00 0.38 C ATOM 0 H ALA A 16 11.640 -0.036 4.249 1.00 0.31 H new ATOM 0 HA ALA A 16 9.745 -1.864 3.260 1.00 0.32 H new ATOM 0 HB1 ALA A 16 8.123 -0.183 4.073 1.00 0.38 H new ATOM 0 HB2 ALA A 16 9.418 -0.476 5.258 1.00 0.38 H new ATOM 0 HB3 ALA A 16 9.446 0.994 4.255 1.00 0.38 H new ATOM 238 N LEU A 17 10.124 0.904 1.508 1.00 0.31 N ATOM 239 CA LEU A 17 9.831 1.534 0.230 1.00 0.33 C ATOM 240 C LEU A 17 10.407 0.722 -0.924 1.00 0.32 C ATOM 241 O LEU A 17 9.700 0.396 -1.874 1.00 0.35 O ATOM 242 CB LEU A 17 10.374 2.965 0.201 1.00 0.38 C ATOM 243 CG LEU A 17 9.768 3.910 1.244 1.00 0.46 C ATOM 244 CD1 LEU A 17 10.412 5.284 1.155 1.00 0.92 C ATOM 245 CD2 LEU A 17 8.260 4.016 1.063 1.00 0.73 C ATOM 0 H LEU A 17 10.736 1.449 2.115 1.00 0.31 H new ATOM 0 HA LEU A 17 8.748 1.570 0.111 1.00 0.33 H new ATOM 0 HB2 LEU A 17 11.454 2.931 0.348 1.00 0.38 H new ATOM 0 HB3 LEU A 17 10.200 3.383 -0.790 1.00 0.38 H new ATOM 0 HG LEU A 17 9.966 3.498 2.234 1.00 0.46 H new ATOM 0 HD11 LEU A 17 9.970 5.942 1.903 1.00 0.92 H new ATOM 0 HD12 LEU A 17 11.483 5.196 1.337 1.00 0.92 H new ATOM 0 HD13 LEU A 17 10.246 5.700 0.161 1.00 0.92 H new ATOM 0 HD21 LEU A 17 7.850 4.692 1.814 1.00 0.73 H new ATOM 0 HD22 LEU A 17 8.039 4.402 0.068 1.00 0.73 H new ATOM 0 HD23 LEU A 17 7.810 3.030 1.178 1.00 0.73 H new ATOM 257 N GLN A 18 11.682 0.372 -0.830 1.00 0.34 N ATOM 258 CA GLN A 18 12.333 -0.405 -1.879 1.00 0.39 C ATOM 259 C GLN A 18 11.671 -1.775 -2.033 1.00 0.33 C ATOM 260 O GLN A 18 11.511 -2.278 -3.150 1.00 0.34 O ATOM 261 CB GLN A 18 13.820 -0.561 -1.567 1.00 0.49 C ATOM 262 CG GLN A 18 14.613 -1.196 -2.695 1.00 1.07 C ATOM 263 CD GLN A 18 16.108 -1.161 -2.449 1.00 1.51 C ATOM 264 OE1 GLN A 18 16.568 -1.199 -1.308 1.00 2.06 O ATOM 265 NE2 GLN A 18 16.876 -1.075 -3.521 1.00 2.19 N ATOM 0 H GLN A 18 12.285 0.612 -0.043 1.00 0.34 H new ATOM 0 HA GLN A 18 12.225 0.129 -2.823 1.00 0.39 H new ATOM 0 HB2 GLN A 18 14.241 0.420 -1.345 1.00 0.49 H new ATOM 0 HB3 GLN A 18 13.933 -1.167 -0.668 1.00 0.49 H new ATOM 0 HG2 GLN A 18 14.294 -2.230 -2.821 1.00 1.07 H new ATOM 0 HG3 GLN A 18 14.390 -0.678 -3.628 1.00 1.07 H new ATOM 0 HE21 GLN A 18 16.454 -1.046 -4.449 1.00 2.19 H new ATOM 0 HE22 GLN A 18 17.890 -1.038 -3.420 1.00 2.19 H new ATOM 274 N ALA A 19 11.267 -2.361 -0.915 1.00 0.29 N ATOM 275 CA ALA A 19 10.565 -3.637 -0.935 1.00 0.28 C ATOM 276 C ALA A 19 9.198 -3.492 -1.593 1.00 0.26 C ATOM 277 O ALA A 19 8.738 -4.396 -2.289 1.00 0.28 O ATOM 278 CB ALA A 19 10.420 -4.197 0.471 1.00 0.31 C ATOM 0 H ALA A 19 11.413 -1.974 0.017 1.00 0.29 H new ATOM 0 HA ALA A 19 11.158 -4.337 -1.524 1.00 0.28 H new ATOM 0 HB1 ALA A 19 9.893 -5.150 0.430 1.00 0.31 H new ATOM 0 HB2 ALA A 19 11.408 -4.347 0.907 1.00 0.31 H new ATOM 0 HB3 ALA A 19 9.855 -3.496 1.085 1.00 0.31 H new ATOM 284 N LEU A 20 8.557 -2.345 -1.379 1.00 0.27 N ATOM 285 CA LEU A 20 7.241 -2.080 -1.948 1.00 0.32 C ATOM 286 C LEU A 20 7.354 -1.999 -3.466 1.00 0.33 C ATOM 287 O LEU A 20 6.530 -2.548 -4.197 1.00 0.36 O ATOM 288 CB LEU A 20 6.674 -0.774 -1.358 1.00 0.38 C ATOM 289 CG LEU A 20 5.167 -0.517 -1.551 1.00 0.58 C ATOM 290 CD1 LEU A 20 4.843 -0.115 -2.982 1.00 1.03 C ATOM 291 CD2 LEU A 20 4.359 -1.742 -1.149 1.00 0.95 C ATOM 0 H LEU A 20 8.931 -1.583 -0.813 1.00 0.27 H new ATOM 0 HA LEU A 20 6.555 -2.889 -1.697 1.00 0.32 H new ATOM 0 HB2 LEU A 20 6.885 -0.765 -0.289 1.00 0.38 H new ATOM 0 HB3 LEU A 20 7.219 0.061 -1.797 1.00 0.38 H new ATOM 0 HG LEU A 20 4.892 0.315 -0.903 1.00 0.58 H new ATOM 0 HD11 LEU A 20 3.771 0.057 -3.078 1.00 1.03 H new ATOM 0 HD12 LEU A 20 5.381 0.799 -3.234 1.00 1.03 H new ATOM 0 HD13 LEU A 20 5.144 -0.913 -3.661 1.00 1.03 H new ATOM 0 HD21 LEU A 20 3.297 -1.541 -1.292 1.00 0.95 H new ATOM 0 HD22 LEU A 20 4.654 -2.591 -1.766 1.00 0.95 H new ATOM 0 HD23 LEU A 20 4.546 -1.973 -0.100 1.00 0.95 H new ATOM 303 N ALA A 21 8.415 -1.344 -3.926 1.00 0.33 N ATOM 304 CA ALA A 21 8.634 -1.139 -5.352 1.00 0.39 C ATOM 305 C ALA A 21 8.786 -2.480 -6.059 1.00 0.38 C ATOM 306 O ALA A 21 8.096 -2.771 -7.036 1.00 0.44 O ATOM 307 CB ALA A 21 9.864 -0.270 -5.578 1.00 0.44 C ATOM 0 H ALA A 21 9.139 -0.945 -3.329 1.00 0.33 H new ATOM 0 HA ALA A 21 7.769 -0.625 -5.770 1.00 0.39 H new ATOM 0 HB1 ALA A 21 10.016 -0.125 -6.648 1.00 0.44 H new ATOM 0 HB2 ALA A 21 9.719 0.698 -5.098 1.00 0.44 H new ATOM 0 HB3 ALA A 21 10.739 -0.760 -5.151 1.00 0.44 H new ATOM 313 N LYS A 22 9.677 -3.298 -5.522 1.00 0.36 N ATOM 314 CA LYS A 22 9.966 -4.619 -6.067 1.00 0.42 C ATOM 315 C LYS A 22 8.742 -5.534 -6.003 1.00 0.37 C ATOM 316 O LYS A 22 8.331 -6.116 -7.007 1.00 0.47 O ATOM 317 CB LYS A 22 11.124 -5.233 -5.270 1.00 0.53 C ATOM 318 CG LYS A 22 11.523 -6.634 -5.702 1.00 1.22 C ATOM 319 CD LYS A 22 12.631 -7.177 -4.812 1.00 1.84 C ATOM 320 CE LYS A 22 13.079 -8.567 -5.238 1.00 2.65 C ATOM 321 NZ LYS A 22 11.986 -9.571 -5.141 1.00 3.41 N ATOM 0 H LYS A 22 10.223 -3.065 -4.693 1.00 0.36 H new ATOM 0 HA LYS A 22 10.239 -4.515 -7.117 1.00 0.42 H new ATOM 0 HB2 LYS A 22 11.993 -4.580 -5.357 1.00 0.53 H new ATOM 0 HB3 LYS A 22 10.848 -5.258 -4.216 1.00 0.53 H new ATOM 0 HG2 LYS A 22 10.657 -7.294 -5.656 1.00 1.22 H new ATOM 0 HG3 LYS A 22 11.858 -6.618 -6.739 1.00 1.22 H new ATOM 0 HD2 LYS A 22 13.483 -6.498 -4.840 1.00 1.84 H new ATOM 0 HD3 LYS A 22 12.283 -7.210 -3.780 1.00 1.84 H new ATOM 0 HE2 LYS A 22 13.444 -8.529 -6.265 1.00 2.65 H new ATOM 0 HE3 LYS A 22 13.915 -8.883 -4.614 1.00 2.65 H new ATOM 0 HZ1 LYS A 22 12.372 -10.522 -5.310 1.00 3.41 H new ATOM 0 HZ2 LYS A 22 11.563 -9.533 -4.192 1.00 3.41 H new ATOM 0 HZ3 LYS A 22 11.258 -9.361 -5.853 1.00 3.41 H new ATOM 335 N GLN A 23 8.147 -5.617 -4.819 1.00 0.33 N ATOM 336 CA GLN A 23 7.119 -6.606 -4.525 1.00 0.39 C ATOM 337 C GLN A 23 5.787 -6.298 -5.210 1.00 0.40 C ATOM 338 O GLN A 23 4.993 -7.206 -5.468 1.00 0.49 O ATOM 339 CB GLN A 23 6.924 -6.676 -3.015 1.00 0.52 C ATOM 340 CG GLN A 23 6.140 -7.879 -2.540 1.00 0.76 C ATOM 341 CD GLN A 23 6.057 -7.936 -1.029 1.00 0.78 C ATOM 342 OE1 GLN A 23 5.956 -9.010 -0.439 1.00 1.52 O ATOM 343 NE2 GLN A 23 6.102 -6.775 -0.388 1.00 1.29 N ATOM 0 H GLN A 23 8.364 -5.000 -4.036 1.00 0.33 H new ATOM 0 HA GLN A 23 7.456 -7.566 -4.917 1.00 0.39 H new ATOM 0 HB2 GLN A 23 7.902 -6.683 -2.535 1.00 0.52 H new ATOM 0 HB3 GLN A 23 6.413 -5.771 -2.685 1.00 0.52 H new ATOM 0 HG2 GLN A 23 5.134 -7.845 -2.958 1.00 0.76 H new ATOM 0 HG3 GLN A 23 6.610 -8.789 -2.913 1.00 0.76 H new ATOM 0 HE21 GLN A 23 6.186 -5.905 -0.914 1.00 1.29 H new ATOM 0 HE22 GLN A 23 6.052 -6.753 0.631 1.00 1.29 H new ATOM 352 N THR A 24 5.538 -5.034 -5.510 1.00 0.38 N ATOM 353 CA THR A 24 4.263 -4.648 -6.101 1.00 0.47 C ATOM 354 C THR A 24 4.446 -4.201 -7.550 1.00 0.48 C ATOM 355 O THR A 24 3.546 -3.617 -8.157 1.00 0.76 O ATOM 356 CB THR A 24 3.601 -3.515 -5.296 1.00 0.54 C ATOM 357 OG1 THR A 24 4.116 -3.507 -3.960 1.00 0.62 O ATOM 358 CG2 THR A 24 2.099 -3.698 -5.238 1.00 0.62 C ATOM 0 H THR A 24 6.191 -4.265 -5.358 1.00 0.38 H new ATOM 0 HA THR A 24 3.615 -5.524 -6.078 1.00 0.47 H new ATOM 0 HB THR A 24 3.825 -2.571 -5.793 1.00 0.54 H new ATOM 0 HG1 THR A 24 5.032 -3.157 -3.964 1.00 0.62 H new ATOM 0 HG21 THR A 24 1.655 -2.885 -4.664 1.00 0.62 H new ATOM 0 HG22 THR A 24 1.692 -3.692 -6.249 1.00 0.62 H new ATOM 0 HG23 THR A 24 1.867 -4.649 -4.759 1.00 0.62 H new ATOM 366 N ASP A 25 5.636 -4.500 -8.082 1.00 0.41 N ATOM 367 CA ASP A 25 6.007 -4.170 -9.463 1.00 0.49 C ATOM 368 C ASP A 25 5.788 -2.687 -9.754 1.00 0.49 C ATOM 369 O ASP A 25 4.988 -2.319 -10.611 1.00 0.72 O ATOM 370 CB ASP A 25 5.216 -5.037 -10.451 1.00 0.68 C ATOM 371 CG ASP A 25 5.818 -5.025 -11.840 1.00 1.29 C ATOM 372 OD1 ASP A 25 6.942 -5.543 -12.005 1.00 1.57 O ATOM 373 OD2 ASP A 25 5.169 -4.520 -12.779 1.00 2.11 O ATOM 0 H ASP A 25 6.372 -4.980 -7.565 1.00 0.41 H new ATOM 0 HA ASP A 25 7.069 -4.381 -9.587 1.00 0.49 H new ATOM 0 HB2 ASP A 25 5.180 -6.062 -10.082 1.00 0.68 H new ATOM 0 HB3 ASP A 25 4.187 -4.680 -10.501 1.00 0.68 H new ATOM 378 N THR A 26 6.503 -1.838 -9.032 1.00 0.34 N ATOM 379 CA THR A 26 6.343 -0.397 -9.161 1.00 0.40 C ATOM 380 C THR A 26 7.691 0.318 -9.124 1.00 0.38 C ATOM 381 O THR A 26 8.707 -0.270 -8.751 1.00 0.40 O ATOM 382 CB THR A 26 5.448 0.161 -8.037 1.00 0.46 C ATOM 383 OG1 THR A 26 5.773 -0.476 -6.795 1.00 0.76 O ATOM 384 CG2 THR A 26 3.974 -0.044 -8.353 1.00 0.72 C ATOM 0 H THR A 26 7.203 -2.123 -8.347 1.00 0.34 H new ATOM 0 HA THR A 26 5.870 -0.214 -10.126 1.00 0.40 H new ATOM 0 HB THR A 26 5.632 1.232 -7.957 1.00 0.46 H new ATOM 0 HG1 THR A 26 5.202 -0.117 -6.084 1.00 0.76 H new ATOM 0 HG21 THR A 26 3.368 0.360 -7.542 1.00 0.72 H new ATOM 0 HG22 THR A 26 3.726 0.470 -9.282 1.00 0.72 H new ATOM 0 HG23 THR A 26 3.770 -1.109 -8.462 1.00 0.72 H new ATOM 392 N GLN A 27 7.690 1.577 -9.534 1.00 0.41 N ATOM 393 CA GLN A 27 8.873 2.417 -9.467 1.00 0.44 C ATOM 394 C GLN A 27 8.667 3.496 -8.417 1.00 0.46 C ATOM 395 O GLN A 27 7.708 4.260 -8.490 1.00 0.47 O ATOM 396 CB GLN A 27 9.149 3.054 -10.833 1.00 0.50 C ATOM 397 CG GLN A 27 10.356 3.982 -10.849 1.00 1.05 C ATOM 398 CD GLN A 27 11.652 3.280 -10.496 1.00 1.67 C ATOM 399 OE1 GLN A 27 12.032 3.199 -9.329 1.00 2.39 O ATOM 400 NE2 GLN A 27 12.346 2.779 -11.505 1.00 2.31 N ATOM 0 H GLN A 27 6.870 2.043 -9.922 1.00 0.41 H new ATOM 0 HA GLN A 27 9.733 1.806 -9.192 1.00 0.44 H new ATOM 0 HB2 GLN A 27 9.301 2.263 -11.567 1.00 0.50 H new ATOM 0 HB3 GLN A 27 8.268 3.614 -11.146 1.00 0.50 H new ATOM 0 HG2 GLN A 27 10.450 4.429 -11.839 1.00 1.05 H new ATOM 0 HG3 GLN A 27 10.189 4.798 -10.146 1.00 1.05 H new ATOM 0 HE21 GLN A 27 11.995 2.867 -12.459 1.00 2.31 H new ATOM 0 HE22 GLN A 27 13.231 2.304 -11.329 1.00 2.31 H new ATOM 409 N LEU A 28 9.558 3.559 -7.440 1.00 0.51 N ATOM 410 CA LEU A 28 9.411 4.512 -6.350 1.00 0.55 C ATOM 411 C LEU A 28 10.605 5.454 -6.282 1.00 0.58 C ATOM 412 O LEU A 28 11.758 5.019 -6.244 1.00 0.71 O ATOM 413 CB LEU A 28 9.246 3.786 -5.009 1.00 0.69 C ATOM 414 CG LEU A 28 8.009 2.890 -4.887 1.00 0.78 C ATOM 415 CD1 LEU A 28 7.921 2.294 -3.493 1.00 1.51 C ATOM 416 CD2 LEU A 28 6.745 3.669 -5.200 1.00 1.30 C ATOM 0 H LEU A 28 10.386 2.966 -7.379 1.00 0.51 H new ATOM 0 HA LEU A 28 8.514 5.099 -6.546 1.00 0.55 H new ATOM 0 HB2 LEU A 28 10.132 3.176 -4.835 1.00 0.69 H new ATOM 0 HB3 LEU A 28 9.212 4.532 -4.215 1.00 0.69 H new ATOM 0 HG LEU A 28 8.105 2.081 -5.611 1.00 0.78 H new ATOM 0 HD11 LEU A 28 7.037 1.660 -3.423 1.00 1.51 H new ATOM 0 HD12 LEU A 28 8.812 1.697 -3.296 1.00 1.51 H new ATOM 0 HD13 LEU A 28 7.851 3.096 -2.758 1.00 1.51 H new ATOM 0 HD21 LEU A 28 5.880 3.012 -5.107 1.00 1.30 H new ATOM 0 HD22 LEU A 28 6.647 4.499 -4.501 1.00 1.30 H new ATOM 0 HD23 LEU A 28 6.799 4.056 -6.218 1.00 1.30 H new ATOM 428 N LEU A 29 10.321 6.743 -6.279 1.00 0.53 N ATOM 429 CA LEU A 29 11.350 7.755 -6.136 1.00 0.60 C ATOM 430 C LEU A 29 11.259 8.386 -4.756 1.00 0.63 C ATOM 431 O LEU A 29 10.218 8.927 -4.377 1.00 0.66 O ATOM 432 CB LEU A 29 11.222 8.836 -7.219 1.00 0.65 C ATOM 433 CG LEU A 29 11.687 8.436 -8.629 1.00 1.17 C ATOM 434 CD1 LEU A 29 13.084 7.841 -8.586 1.00 1.90 C ATOM 435 CD2 LEU A 29 10.709 7.466 -9.277 1.00 2.03 C ATOM 0 H LEU A 29 9.377 7.116 -6.375 1.00 0.53 H new ATOM 0 HA LEU A 29 12.321 7.275 -6.254 1.00 0.60 H new ATOM 0 HB2 LEU A 29 10.178 9.143 -7.276 1.00 0.65 H new ATOM 0 HB3 LEU A 29 11.794 9.708 -6.903 1.00 0.65 H new ATOM 0 HG LEU A 29 11.717 9.339 -9.239 1.00 1.17 H new ATOM 0 HD11 LEU A 29 13.393 7.565 -9.594 1.00 1.90 H new ATOM 0 HD12 LEU A 29 13.780 8.576 -8.181 1.00 1.90 H new ATOM 0 HD13 LEU A 29 13.083 6.955 -7.952 1.00 1.90 H new ATOM 0 HD21 LEU A 29 11.065 7.202 -10.273 1.00 2.03 H new ATOM 0 HD22 LEU A 29 10.632 6.565 -8.668 1.00 2.03 H new ATOM 0 HD23 LEU A 29 9.728 7.936 -9.355 1.00 2.03 H new ATOM 447 N TYR A 30 12.345 8.299 -4.009 1.00 0.65 N ATOM 448 CA TYR A 30 12.390 8.793 -2.642 1.00 0.72 C ATOM 449 C TYR A 30 13.832 9.073 -2.237 1.00 0.77 C ATOM 450 O TYR A 30 14.761 8.441 -2.749 1.00 0.82 O ATOM 451 CB TYR A 30 11.761 7.772 -1.683 1.00 0.72 C ATOM 452 CG TYR A 30 12.443 6.418 -1.697 1.00 0.69 C ATOM 453 CD1 TYR A 30 12.064 5.440 -2.610 1.00 0.65 C ATOM 454 CD2 TYR A 30 13.466 6.121 -0.803 1.00 0.80 C ATOM 455 CE1 TYR A 30 12.687 4.208 -2.633 1.00 0.71 C ATOM 456 CE2 TYR A 30 14.092 4.889 -0.820 1.00 0.88 C ATOM 457 CZ TYR A 30 13.698 3.937 -1.736 1.00 0.83 C ATOM 458 OH TYR A 30 14.323 2.715 -1.765 1.00 0.96 O ATOM 0 H TYR A 30 13.220 7.885 -4.331 1.00 0.65 H new ATOM 0 HA TYR A 30 11.819 9.720 -2.586 1.00 0.72 H new ATOM 0 HB2 TYR A 30 11.791 8.173 -0.670 1.00 0.72 H new ATOM 0 HB3 TYR A 30 10.711 7.642 -1.944 1.00 0.72 H new ATOM 0 HD1 TYR A 30 11.270 5.647 -3.312 1.00 0.65 H new ATOM 0 HD2 TYR A 30 13.776 6.865 -0.084 1.00 0.80 H new ATOM 0 HE1 TYR A 30 12.384 3.460 -3.351 1.00 0.71 H new ATOM 0 HE2 TYR A 30 14.885 4.673 -0.120 1.00 0.88 H new ATOM 0 HH TYR A 30 15.013 2.684 -1.070 1.00 0.96 H new ATOM 468 N SER A 31 14.015 10.022 -1.337 1.00 0.85 N ATOM 469 CA SER A 31 15.339 10.345 -0.833 1.00 0.97 C ATOM 470 C SER A 31 15.510 9.829 0.595 1.00 0.88 C ATOM 471 O SER A 31 14.884 10.335 1.529 1.00 0.85 O ATOM 472 CB SER A 31 15.559 11.855 -0.875 1.00 1.20 C ATOM 473 OG SER A 31 15.347 12.368 -2.181 1.00 1.78 O ATOM 0 H SER A 31 13.263 10.584 -0.939 1.00 0.85 H new ATOM 0 HA SER A 31 16.081 9.859 -1.467 1.00 0.97 H new ATOM 0 HB2 SER A 31 14.881 12.344 -0.175 1.00 1.20 H new ATOM 0 HB3 SER A 31 16.574 12.087 -0.551 1.00 1.20 H new ATOM 0 HG SER A 31 15.493 13.337 -2.179 1.00 1.78 H new ATOM 479 N PRO A 32 16.371 8.813 0.782 1.00 0.96 N ATOM 480 CA PRO A 32 16.626 8.212 2.099 1.00 0.99 C ATOM 481 C PRO A 32 17.148 9.229 3.114 1.00 1.01 C ATOM 482 O PRO A 32 17.010 9.047 4.324 1.00 1.05 O ATOM 483 CB PRO A 32 17.696 7.152 1.814 1.00 1.23 C ATOM 484 CG PRO A 32 17.577 6.869 0.358 1.00 1.37 C ATOM 485 CD PRO A 32 17.159 8.161 -0.279 1.00 1.12 C ATOM 0 HA PRO A 32 15.714 7.809 2.539 1.00 0.99 H new ATOM 0 HB2 PRO A 32 18.691 7.518 2.065 1.00 1.23 H new ATOM 0 HB3 PRO A 32 17.528 6.252 2.406 1.00 1.23 H new ATOM 0 HG2 PRO A 32 18.525 6.521 -0.051 1.00 1.37 H new ATOM 0 HG3 PRO A 32 16.842 6.086 0.171 1.00 1.37 H new ATOM 0 HD2 PRO A 32 18.019 8.764 -0.572 1.00 1.12 H new ATOM 0 HD3 PRO A 32 16.566 7.995 -1.178 1.00 1.12 H new ATOM 493 N GLU A 33 17.743 10.298 2.605 1.00 1.09 N ATOM 494 CA GLU A 33 18.299 11.352 3.442 1.00 1.26 C ATOM 495 C GLU A 33 17.197 12.176 4.102 1.00 1.23 C ATOM 496 O GLU A 33 17.282 12.518 5.282 1.00 1.39 O ATOM 497 CB GLU A 33 19.175 12.275 2.602 1.00 1.48 C ATOM 498 CG GLU A 33 20.225 11.542 1.793 1.00 1.99 C ATOM 499 CD GLU A 33 20.981 12.473 0.875 1.00 2.43 C ATOM 500 OE1 GLU A 33 20.474 12.773 -0.224 1.00 2.83 O ATOM 501 OE2 GLU A 33 22.096 12.892 1.248 1.00 2.96 O ATOM 0 H GLU A 33 17.854 10.459 1.604 1.00 1.09 H new ATOM 0 HA GLU A 33 18.895 10.878 4.222 1.00 1.26 H new ATOM 0 HB2 GLU A 33 18.541 12.848 1.925 1.00 1.48 H new ATOM 0 HB3 GLU A 33 19.669 12.991 3.259 1.00 1.48 H new ATOM 0 HG2 GLU A 33 20.925 11.050 2.468 1.00 1.99 H new ATOM 0 HG3 GLU A 33 19.748 10.759 1.203 1.00 1.99 H new ATOM 508 N ASP A 34 16.153 12.465 3.336 1.00 1.12 N ATOM 509 CA ASP A 34 15.128 13.414 3.761 1.00 1.23 C ATOM 510 C ASP A 34 14.024 12.736 4.564 1.00 1.17 C ATOM 511 O ASP A 34 13.150 13.404 5.116 1.00 1.38 O ATOM 512 CB ASP A 34 14.532 14.138 2.550 1.00 1.33 C ATOM 513 CG ASP A 34 15.540 15.031 1.851 1.00 1.71 C ATOM 514 OD1 ASP A 34 15.845 16.124 2.377 1.00 2.14 O ATOM 515 OD2 ASP A 34 16.036 14.646 0.773 1.00 2.22 O ATOM 0 H ASP A 34 15.992 12.056 2.416 1.00 1.12 H new ATOM 0 HA ASP A 34 15.610 14.143 4.412 1.00 1.23 H new ATOM 0 HB2 ASP A 34 14.152 13.402 1.842 1.00 1.33 H new ATOM 0 HB3 ASP A 34 13.682 14.739 2.873 1.00 1.33 H new ATOM 520 N ILE A 35 14.079 11.412 4.657 1.00 0.97 N ATOM 521 CA ILE A 35 13.078 10.668 5.412 1.00 0.97 C ATOM 522 C ILE A 35 13.590 10.355 6.814 1.00 1.02 C ATOM 523 O ILE A 35 13.019 9.531 7.524 1.00 1.09 O ATOM 524 CB ILE A 35 12.669 9.361 4.696 1.00 0.88 C ATOM 525 CG1 ILE A 35 13.886 8.458 4.468 1.00 0.78 C ATOM 526 CG2 ILE A 35 11.982 9.678 3.376 1.00 0.95 C ATOM 527 CD1 ILE A 35 13.557 7.147 3.788 1.00 0.82 C ATOM 0 H ILE A 35 14.800 10.836 4.223 1.00 0.97 H new ATOM 0 HA ILE A 35 12.193 11.300 5.484 1.00 0.97 H new ATOM 0 HB ILE A 35 11.968 8.824 5.335 1.00 0.88 H new ATOM 0 HG12 ILE A 35 14.617 8.996 3.865 1.00 0.78 H new ATOM 0 HG13 ILE A 35 14.357 8.250 5.429 1.00 0.78 H new ATOM 0 HG21 ILE A 35 11.699 8.749 2.881 1.00 0.95 H new ATOM 0 HG22 ILE A 35 11.090 10.276 3.564 1.00 0.95 H new ATOM 0 HG23 ILE A 35 12.664 10.237 2.736 1.00 0.95 H new ATOM 0 HD11 ILE A 35 14.469 6.564 3.662 1.00 0.82 H new ATOM 0 HD12 ILE A 35 12.850 6.587 4.400 1.00 0.82 H new ATOM 0 HD13 ILE A 35 13.115 7.345 2.812 1.00 0.82 H new ATOM 539 N GLY A 36 14.693 11.004 7.183 1.00 1.08 N ATOM 540 CA GLY A 36 15.186 10.970 8.555 1.00 1.25 C ATOM 541 C GLY A 36 15.758 9.631 8.991 1.00 1.17 C ATOM 542 O GLY A 36 16.324 9.526 10.079 1.00 1.40 O ATOM 0 H GLY A 36 15.263 11.561 6.547 1.00 1.08 H new ATOM 0 HA2 GLY A 36 15.956 11.733 8.669 1.00 1.25 H new ATOM 0 HA3 GLY A 36 14.370 11.237 9.227 1.00 1.25 H new ATOM 546 N GLY A 37 15.631 8.617 8.154 1.00 0.97 N ATOM 547 CA GLY A 37 16.054 7.287 8.548 1.00 0.96 C ATOM 548 C GLY A 37 15.102 6.691 9.563 1.00 0.88 C ATOM 549 O GLY A 37 15.520 6.193 10.608 1.00 1.05 O ATOM 0 H GLY A 37 15.245 8.687 7.212 1.00 0.97 H new ATOM 0 HA2 GLY A 37 16.104 6.643 7.670 1.00 0.96 H new ATOM 0 HA3 GLY A 37 17.058 7.331 8.969 1.00 0.96 H new ATOM 553 N LEU A 38 13.816 6.763 9.251 1.00 0.77 N ATOM 554 CA LEU A 38 12.769 6.261 10.128 1.00 0.83 C ATOM 555 C LEU A 38 12.581 4.764 9.918 1.00 0.66 C ATOM 556 O LEU A 38 13.180 4.183 9.015 1.00 0.67 O ATOM 557 CB LEU A 38 11.457 6.998 9.831 1.00 1.06 C ATOM 558 CG LEU A 38 11.512 8.519 9.995 1.00 1.05 C ATOM 559 CD1 LEU A 38 10.252 9.160 9.436 1.00 1.72 C ATOM 560 CD2 LEU A 38 11.692 8.890 11.458 1.00 1.20 C ATOM 0 H LEU A 38 13.469 7.171 8.383 1.00 0.77 H new ATOM 0 HA LEU A 38 13.057 6.436 11.165 1.00 0.83 H new ATOM 0 HB2 LEU A 38 11.154 6.770 8.809 1.00 1.06 H new ATOM 0 HB3 LEU A 38 10.682 6.606 10.489 1.00 1.06 H new ATOM 0 HG LEU A 38 12.368 8.895 9.435 1.00 1.05 H new ATOM 0 HD11 LEU A 38 10.308 10.241 9.561 1.00 1.72 H new ATOM 0 HD12 LEU A 38 10.162 8.921 8.376 1.00 1.72 H new ATOM 0 HD13 LEU A 38 9.382 8.778 9.970 1.00 1.72 H new ATOM 0 HD21 LEU A 38 11.729 9.975 11.556 1.00 1.20 H new ATOM 0 HD22 LEU A 38 10.855 8.502 12.038 1.00 1.20 H new ATOM 0 HD23 LEU A 38 12.622 8.460 11.831 1.00 1.20 H new ATOM 572 N ARG A 39 11.756 4.141 10.746 1.00 0.68 N ATOM 573 CA ARG A 39 11.410 2.738 10.561 1.00 0.59 C ATOM 574 C ARG A 39 9.914 2.603 10.330 1.00 0.52 C ATOM 575 O ARG A 39 9.113 3.344 10.905 1.00 0.62 O ATOM 576 CB ARG A 39 11.843 1.857 11.742 1.00 0.66 C ATOM 577 CG ARG A 39 11.397 2.350 13.106 1.00 0.76 C ATOM 578 CD ARG A 39 12.364 3.381 13.662 1.00 1.12 C ATOM 579 NE ARG A 39 13.753 2.922 13.587 1.00 2.00 N ATOM 580 CZ ARG A 39 14.811 3.732 13.606 1.00 2.70 C ATOM 581 NH1 ARG A 39 14.651 5.040 13.745 1.00 2.71 N ATOM 582 NH2 ARG A 39 16.034 3.226 13.487 1.00 3.77 N ATOM 0 H ARG A 39 11.314 4.583 11.552 1.00 0.68 H new ATOM 0 HA ARG A 39 11.956 2.385 9.687 1.00 0.59 H new ATOM 0 HB2 ARG A 39 11.450 0.852 11.589 1.00 0.66 H new ATOM 0 HB3 ARG A 39 12.930 1.779 11.738 1.00 0.66 H new ATOM 0 HG2 ARG A 39 10.401 2.786 13.030 1.00 0.76 H new ATOM 0 HG3 ARG A 39 11.325 1.508 13.794 1.00 0.76 H new ATOM 0 HD2 ARG A 39 12.259 4.313 13.107 1.00 1.12 H new ATOM 0 HD3 ARG A 39 12.108 3.597 14.699 1.00 1.12 H new ATOM 0 HE ARG A 39 13.921 1.918 13.516 1.00 2.00 H new ATOM 0 HH11 ARG A 39 13.714 5.432 13.838 1.00 2.71 H new ATOM 0 HH12 ARG A 39 15.465 5.655 13.759 1.00 2.71 H new ATOM 0 HH21 ARG A 39 16.161 2.220 13.381 1.00 3.77 H new ATOM 0 HH22 ARG A 39 16.845 3.844 13.501 1.00 3.77 H new ATOM 596 N SER A 40 9.551 1.665 9.483 1.00 0.45 N ATOM 597 CA SER A 40 8.173 1.490 9.074 1.00 0.50 C ATOM 598 C SER A 40 7.425 0.512 9.975 1.00 0.49 C ATOM 599 O SER A 40 8.029 -0.278 10.706 1.00 0.48 O ATOM 600 CB SER A 40 8.154 1.003 7.630 1.00 0.56 C ATOM 601 OG SER A 40 9.194 0.064 7.415 1.00 0.50 O ATOM 0 H SER A 40 10.201 1.003 9.059 1.00 0.45 H new ATOM 0 HA SER A 40 7.661 2.448 9.159 1.00 0.50 H new ATOM 0 HB2 SER A 40 7.190 0.546 7.405 1.00 0.56 H new ATOM 0 HB3 SER A 40 8.272 1.848 6.952 1.00 0.56 H new ATOM 0 HG SER A 40 8.814 -0.837 7.355 1.00 0.50 H new ATOM 607 N SER A 41 6.104 0.596 9.924 1.00 0.59 N ATOM 608 CA SER A 41 5.239 -0.315 10.649 1.00 0.68 C ATOM 609 C SER A 41 4.891 -1.493 9.751 1.00 0.65 C ATOM 610 O SER A 41 4.572 -1.309 8.572 1.00 0.66 O ATOM 611 CB SER A 41 3.969 0.421 11.088 1.00 0.85 C ATOM 612 OG SER A 41 3.160 -0.385 11.930 1.00 1.54 O ATOM 0 H SER A 41 5.604 1.298 9.378 1.00 0.59 H new ATOM 0 HA SER A 41 5.749 -0.685 11.538 1.00 0.68 H new ATOM 0 HB2 SER A 41 4.242 1.336 11.613 1.00 0.85 H new ATOM 0 HB3 SER A 41 3.397 0.717 10.208 1.00 0.85 H new ATOM 0 HG SER A 41 2.360 0.116 12.192 1.00 1.54 H new ATOM 618 N ALA A 42 4.987 -2.699 10.301 1.00 0.69 N ATOM 619 CA ALA A 42 4.750 -3.919 9.536 1.00 0.72 C ATOM 620 C ALA A 42 3.342 -3.945 8.949 1.00 0.63 C ATOM 621 O ALA A 42 2.364 -4.149 9.670 1.00 0.66 O ATOM 622 CB ALA A 42 4.984 -5.144 10.411 1.00 0.84 C ATOM 0 H ALA A 42 5.229 -2.858 11.279 1.00 0.69 H new ATOM 0 HA ALA A 42 5.456 -3.936 8.706 1.00 0.72 H new ATOM 0 HB1 ALA A 42 4.804 -6.047 9.828 1.00 0.84 H new ATOM 0 HB2 ALA A 42 6.013 -5.143 10.770 1.00 0.84 H new ATOM 0 HB3 ALA A 42 4.303 -5.119 11.262 1.00 0.84 H new ATOM 628 N LEU A 43 3.243 -3.718 7.650 1.00 0.59 N ATOM 629 CA LEU A 43 1.969 -3.793 6.958 1.00 0.54 C ATOM 630 C LEU A 43 2.024 -4.930 5.951 1.00 0.45 C ATOM 631 O LEU A 43 2.584 -4.782 4.868 1.00 0.51 O ATOM 632 CB LEU A 43 1.666 -2.461 6.251 1.00 0.65 C ATOM 633 CG LEU A 43 0.186 -2.176 5.942 1.00 0.83 C ATOM 634 CD1 LEU A 43 -0.348 -3.100 4.858 1.00 1.42 C ATOM 635 CD2 LEU A 43 -0.652 -2.302 7.205 1.00 1.42 C ATOM 0 H LEU A 43 4.034 -3.479 7.052 1.00 0.59 H new ATOM 0 HA LEU A 43 1.171 -3.982 7.676 1.00 0.54 H new ATOM 0 HB2 LEU A 43 2.049 -1.650 6.870 1.00 0.65 H new ATOM 0 HB3 LEU A 43 2.222 -2.436 5.314 1.00 0.65 H new ATOM 0 HG LEU A 43 0.116 -1.154 5.570 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -1.396 -2.869 4.667 1.00 1.42 H new ATOM 0 HD12 LEU A 43 0.228 -2.958 3.943 1.00 1.42 H new ATOM 0 HD13 LEU A 43 -0.259 -4.136 5.186 1.00 1.42 H new ATOM 0 HD21 LEU A 43 -1.697 -2.098 6.970 1.00 1.42 H new ATOM 0 HD22 LEU A 43 -0.561 -3.313 7.603 1.00 1.42 H new ATOM 0 HD23 LEU A 43 -0.300 -1.586 7.948 1.00 1.42 H new ATOM 647 N LYS A 44 1.464 -6.070 6.313 1.00 0.43 N ATOM 648 CA LYS A 44 1.497 -7.225 5.437 1.00 0.43 C ATOM 649 C LYS A 44 0.147 -7.920 5.382 1.00 0.41 C ATOM 650 O LYS A 44 -0.440 -8.261 6.409 1.00 0.50 O ATOM 651 CB LYS A 44 2.608 -8.192 5.853 1.00 0.61 C ATOM 652 CG LYS A 44 2.725 -8.409 7.350 1.00 0.88 C ATOM 653 CD LYS A 44 4.011 -9.141 7.678 1.00 1.15 C ATOM 654 CE LYS A 44 4.270 -9.191 9.171 1.00 1.77 C ATOM 655 NZ LYS A 44 5.614 -9.746 9.473 1.00 2.43 N ATOM 0 H LYS A 44 0.985 -6.220 7.201 1.00 0.43 H new ATOM 0 HA LYS A 44 1.719 -6.874 4.429 1.00 0.43 H new ATOM 0 HB2 LYS A 44 2.434 -9.154 5.372 1.00 0.61 H new ATOM 0 HB3 LYS A 44 3.560 -7.815 5.478 1.00 0.61 H new ATOM 0 HG2 LYS A 44 2.704 -7.449 7.866 1.00 0.88 H new ATOM 0 HG3 LYS A 44 1.871 -8.983 7.709 1.00 0.88 H new ATOM 0 HD2 LYS A 44 3.961 -10.156 7.284 1.00 1.15 H new ATOM 0 HD3 LYS A 44 4.846 -8.647 7.181 1.00 1.15 H new ATOM 0 HE2 LYS A 44 4.187 -8.188 9.589 1.00 1.77 H new ATOM 0 HE3 LYS A 44 3.507 -9.801 9.653 1.00 1.77 H new ATOM 0 HZ1 LYS A 44 5.758 -9.766 10.503 1.00 2.43 H new ATOM 0 HZ2 LYS A 44 5.683 -10.712 9.095 1.00 2.43 H new ATOM 0 HZ3 LYS A 44 6.343 -9.149 9.033 1.00 2.43 H new ATOM 669 N GLY A 45 -0.337 -8.100 4.165 1.00 0.37 N ATOM 670 CA GLY A 45 -1.627 -8.711 3.936 1.00 0.37 C ATOM 671 C GLY A 45 -1.994 -8.649 2.470 1.00 0.33 C ATOM 672 O GLY A 45 -1.124 -8.417 1.627 1.00 0.34 O ATOM 0 H GLY A 45 0.154 -7.827 3.314 1.00 0.37 H new ATOM 0 HA2 GLY A 45 -1.608 -9.749 4.268 1.00 0.37 H new ATOM 0 HA3 GLY A 45 -2.387 -8.201 4.528 1.00 0.37 H new ATOM 676 N ARG A 46 -3.267 -8.838 2.157 1.00 0.35 N ATOM 677 CA ARG A 46 -3.727 -8.748 0.776 1.00 0.36 C ATOM 678 C ARG A 46 -4.256 -7.345 0.508 1.00 0.34 C ATOM 679 O ARG A 46 -5.388 -7.020 0.858 1.00 0.48 O ATOM 680 CB ARG A 46 -4.815 -9.789 0.477 1.00 0.49 C ATOM 681 CG ARG A 46 -4.293 -11.191 0.182 1.00 0.97 C ATOM 682 CD ARG A 46 -3.580 -11.813 1.375 1.00 1.13 C ATOM 683 NE ARG A 46 -4.436 -11.902 2.558 1.00 1.77 N ATOM 684 CZ ARG A 46 -4.462 -12.949 3.384 1.00 2.26 C ATOM 685 NH1 ARG A 46 -3.783 -14.056 3.090 1.00 2.15 N ATOM 686 NH2 ARG A 46 -5.207 -12.902 4.481 1.00 3.27 N ATOM 0 H ARG A 46 -3.998 -9.054 2.835 1.00 0.35 H new ATOM 0 HA ARG A 46 -2.882 -8.955 0.119 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -5.493 -9.841 1.329 1.00 0.49 H new ATOM 0 HB3 ARG A 46 -5.401 -9.447 -0.376 1.00 0.49 H new ATOM 0 HG2 ARG A 46 -5.125 -11.830 -0.113 1.00 0.97 H new ATOM 0 HG3 ARG A 46 -3.608 -11.149 -0.665 1.00 0.97 H new ATOM 0 HD2 ARG A 46 -3.233 -12.811 1.106 1.00 1.13 H new ATOM 0 HD3 ARG A 46 -2.696 -11.222 1.614 1.00 1.13 H new ATOM 0 HE ARG A 46 -5.051 -11.115 2.764 1.00 1.77 H new ATOM 0 HH11 ARG A 46 -3.239 -14.107 2.229 1.00 2.15 H new ATOM 0 HH12 ARG A 46 -3.807 -14.853 3.726 1.00 2.15 H new ATOM 0 HH21 ARG A 46 -5.756 -12.068 4.689 1.00 3.27 H new ATOM 0 HH22 ARG A 46 -5.231 -13.700 5.116 1.00 3.27 H new ATOM 700 N HIS A 47 -3.416 -6.506 -0.076 1.00 0.32 N ATOM 701 CA HIS A 47 -3.779 -5.121 -0.353 1.00 0.45 C ATOM 702 C HIS A 47 -3.301 -4.721 -1.736 1.00 0.43 C ATOM 703 O HIS A 47 -2.290 -5.229 -2.217 1.00 0.46 O ATOM 704 CB HIS A 47 -3.165 -4.177 0.687 1.00 0.68 C ATOM 705 CG HIS A 47 -3.796 -4.255 2.040 1.00 1.01 C ATOM 706 ND1 HIS A 47 -4.765 -3.375 2.464 1.00 1.79 N ATOM 707 CD2 HIS A 47 -3.583 -5.103 3.073 1.00 1.21 C ATOM 708 CE1 HIS A 47 -5.121 -3.677 3.700 1.00 1.98 C ATOM 709 NE2 HIS A 47 -4.418 -4.724 4.090 1.00 1.57 N ATOM 0 H HIS A 47 -2.473 -6.759 -0.370 1.00 0.32 H new ATOM 0 HA HIS A 47 -4.865 -5.042 -0.304 1.00 0.45 H new ATOM 0 HB2 HIS A 47 -2.103 -4.402 0.781 1.00 0.68 H new ATOM 0 HB3 HIS A 47 -3.243 -3.153 0.321 1.00 0.68 H new ATOM 0 HD2 HIS A 47 -2.884 -5.926 3.092 1.00 1.21 H new ATOM 0 HE1 HIS A 47 -5.861 -3.156 4.290 1.00 1.98 H new ATOM 0 HE2 HIS A 47 -4.486 -5.177 5.001 1.00 1.57 H new ATOM 718 N ASP A 48 -4.038 -3.827 -2.380 1.00 0.47 N ATOM 719 CA ASP A 48 -3.623 -3.304 -3.673 1.00 0.55 C ATOM 720 C ASP A 48 -2.618 -2.170 -3.479 1.00 0.48 C ATOM 721 O ASP A 48 -2.292 -1.813 -2.341 1.00 0.44 O ATOM 722 CB ASP A 48 -4.825 -2.813 -4.492 1.00 0.70 C ATOM 723 CG ASP A 48 -5.437 -1.540 -3.944 1.00 1.20 C ATOM 724 OD1 ASP A 48 -4.942 -0.446 -4.276 1.00 1.86 O ATOM 725 OD2 ASP A 48 -6.410 -1.627 -3.169 1.00 1.80 O ATOM 0 H ASP A 48 -4.920 -3.451 -2.031 1.00 0.47 H new ATOM 0 HA ASP A 48 -3.150 -4.114 -4.229 1.00 0.55 H new ATOM 0 HB2 ASP A 48 -4.511 -2.644 -5.522 1.00 0.70 H new ATOM 0 HB3 ASP A 48 -5.585 -3.594 -4.515 1.00 0.70 H new ATOM 730 N LEU A 49 -2.140 -1.609 -4.581 1.00 0.50 N ATOM 731 CA LEU A 49 -1.119 -0.564 -4.543 1.00 0.51 C ATOM 732 C LEU A 49 -1.591 0.646 -3.736 1.00 0.42 C ATOM 733 O LEU A 49 -0.954 1.037 -2.760 1.00 0.43 O ATOM 734 CB LEU A 49 -0.754 -0.132 -5.967 1.00 0.61 C ATOM 735 CG LEU A 49 0.341 0.933 -6.065 1.00 0.73 C ATOM 736 CD1 LEU A 49 1.648 0.414 -5.488 1.00 1.16 C ATOM 737 CD2 LEU A 49 0.528 1.368 -7.510 1.00 1.18 C ATOM 0 H LEU A 49 -2.444 -1.861 -5.521 1.00 0.50 H new ATOM 0 HA LEU A 49 -0.237 -0.975 -4.052 1.00 0.51 H new ATOM 0 HB2 LEU A 49 -0.434 -1.012 -6.525 1.00 0.61 H new ATOM 0 HB3 LEU A 49 -1.652 0.247 -6.456 1.00 0.61 H new ATOM 0 HG LEU A 49 0.032 1.800 -5.480 1.00 0.73 H new ATOM 0 HD11 LEU A 49 2.413 1.186 -5.568 1.00 1.16 H new ATOM 0 HD12 LEU A 49 1.504 0.152 -4.440 1.00 1.16 H new ATOM 0 HD13 LEU A 49 1.965 -0.469 -6.042 1.00 1.16 H new ATOM 0 HD21 LEU A 49 1.310 2.126 -7.564 1.00 1.18 H new ATOM 0 HD22 LEU A 49 0.814 0.508 -8.115 1.00 1.18 H new ATOM 0 HD23 LEU A 49 -0.406 1.783 -7.889 1.00 1.18 H new ATOM 749 N GLN A 50 -2.713 1.223 -4.138 1.00 0.41 N ATOM 750 CA GLN A 50 -3.227 2.424 -3.492 1.00 0.42 C ATOM 751 C GLN A 50 -3.591 2.146 -2.035 1.00 0.39 C ATOM 752 O GLN A 50 -3.370 2.989 -1.162 1.00 0.41 O ATOM 753 CB GLN A 50 -4.433 2.968 -4.261 1.00 0.52 C ATOM 754 CG GLN A 50 -5.020 4.237 -3.669 1.00 1.21 C ATOM 755 CD GLN A 50 -6.089 4.847 -4.550 1.00 1.67 C ATOM 756 OE1 GLN A 50 -5.805 5.704 -5.387 1.00 2.15 O ATOM 757 NE2 GLN A 50 -7.321 4.401 -4.376 1.00 2.39 N ATOM 0 H GLN A 50 -3.286 0.880 -4.909 1.00 0.41 H new ATOM 0 HA GLN A 50 -2.443 3.181 -3.502 1.00 0.42 H new ATOM 0 HB2 GLN A 50 -4.136 3.163 -5.291 1.00 0.52 H new ATOM 0 HB3 GLN A 50 -5.207 2.201 -4.292 1.00 0.52 H new ATOM 0 HG2 GLN A 50 -5.444 4.015 -2.690 1.00 1.21 H new ATOM 0 HG3 GLN A 50 -4.223 4.964 -3.514 1.00 1.21 H new ATOM 0 HE21 GLN A 50 -7.511 3.690 -3.670 1.00 2.39 H new ATOM 0 HE22 GLN A 50 -8.082 4.768 -4.948 1.00 2.39 H new ATOM 766 N SER A 51 -4.124 0.957 -1.775 1.00 0.41 N ATOM 767 CA SER A 51 -4.490 0.559 -0.422 1.00 0.46 C ATOM 768 C SER A 51 -3.265 0.562 0.488 1.00 0.41 C ATOM 769 O SER A 51 -3.258 1.220 1.532 1.00 0.43 O ATOM 770 CB SER A 51 -5.130 -0.834 -0.434 1.00 0.57 C ATOM 771 OG SER A 51 -5.538 -1.232 0.868 1.00 1.33 O ATOM 0 H SER A 51 -4.312 0.251 -2.486 1.00 0.41 H new ATOM 0 HA SER A 51 -5.212 1.278 -0.036 1.00 0.46 H new ATOM 0 HB2 SER A 51 -5.991 -0.834 -1.102 1.00 0.57 H new ATOM 0 HB3 SER A 51 -4.419 -1.559 -0.831 1.00 0.57 H new ATOM 0 HG SER A 51 -5.000 -1.997 1.160 1.00 1.33 H new ATOM 777 N SER A 52 -2.228 -0.158 0.079 1.00 0.40 N ATOM 778 CA SER A 52 -1.013 -0.269 0.873 1.00 0.43 C ATOM 779 C SER A 52 -0.346 1.092 1.064 1.00 0.41 C ATOM 780 O SER A 52 0.075 1.429 2.171 1.00 0.45 O ATOM 781 CB SER A 52 -0.045 -1.267 0.229 1.00 0.49 C ATOM 782 OG SER A 52 0.139 -0.991 -1.148 1.00 1.21 O ATOM 0 H SER A 52 -2.205 -0.675 -0.800 1.00 0.40 H new ATOM 0 HA SER A 52 -1.288 -0.640 1.860 1.00 0.43 H new ATOM 0 HB2 SER A 52 0.916 -1.227 0.742 1.00 0.49 H new ATOM 0 HB3 SER A 52 -0.429 -2.280 0.351 1.00 0.49 H new ATOM 0 HG SER A 52 -0.609 -1.365 -1.659 1.00 1.21 H new ATOM 788 N LEU A 53 -0.274 1.876 -0.009 1.00 0.39 N ATOM 789 CA LEU A 53 0.344 3.198 0.046 1.00 0.41 C ATOM 790 C LEU A 53 -0.372 4.109 1.041 1.00 0.40 C ATOM 791 O LEU A 53 0.269 4.769 1.855 1.00 0.46 O ATOM 792 CB LEU A 53 0.351 3.857 -1.338 1.00 0.44 C ATOM 793 CG LEU A 53 1.221 3.169 -2.394 1.00 0.51 C ATOM 794 CD1 LEU A 53 1.105 3.891 -3.730 1.00 0.70 C ATOM 795 CD2 LEU A 53 2.671 3.123 -1.939 1.00 0.56 C ATOM 0 H LEU A 53 -0.636 1.619 -0.927 1.00 0.39 H new ATOM 0 HA LEU A 53 1.372 3.058 0.381 1.00 0.41 H new ATOM 0 HB2 LEU A 53 -0.674 3.896 -1.707 1.00 0.44 H new ATOM 0 HB3 LEU A 53 0.690 4.887 -1.229 1.00 0.44 H new ATOM 0 HG LEU A 53 0.867 2.146 -2.522 1.00 0.51 H new ATOM 0 HD11 LEU A 53 1.729 3.390 -4.470 1.00 0.70 H new ATOM 0 HD12 LEU A 53 0.067 3.877 -4.062 1.00 0.70 H new ATOM 0 HD13 LEU A 53 1.436 4.923 -3.616 1.00 0.70 H new ATOM 0 HD21 LEU A 53 3.276 2.631 -2.701 1.00 0.56 H new ATOM 0 HD22 LEU A 53 3.036 4.138 -1.785 1.00 0.56 H new ATOM 0 HD23 LEU A 53 2.742 2.567 -1.004 1.00 0.56 H new ATOM 807 N ARG A 54 -1.702 4.135 0.977 1.00 0.38 N ATOM 808 CA ARG A 54 -2.490 5.015 1.836 1.00 0.43 C ATOM 809 C ARG A 54 -2.292 4.693 3.312 1.00 0.42 C ATOM 810 O ARG A 54 -2.157 5.596 4.134 1.00 0.48 O ATOM 811 CB ARG A 54 -3.973 4.937 1.471 1.00 0.51 C ATOM 812 CG ARG A 54 -4.342 5.807 0.280 1.00 1.10 C ATOM 813 CD ARG A 54 -4.223 7.286 0.624 1.00 1.31 C ATOM 814 NE ARG A 54 -4.427 8.142 -0.546 1.00 1.87 N ATOM 815 CZ ARG A 54 -5.136 9.267 -0.535 1.00 2.48 C ATOM 816 NH1 ARG A 54 -5.742 9.666 0.576 1.00 2.70 N ATOM 817 NH2 ARG A 54 -5.243 9.993 -1.642 1.00 3.38 N ATOM 0 H ARG A 54 -2.254 3.559 0.342 1.00 0.38 H new ATOM 0 HA ARG A 54 -2.137 6.033 1.669 1.00 0.43 H new ATOM 0 HB2 ARG A 54 -4.233 3.902 1.251 1.00 0.51 H new ATOM 0 HB3 ARG A 54 -4.569 5.239 2.332 1.00 0.51 H new ATOM 0 HG2 ARG A 54 -3.690 5.573 -0.562 1.00 1.10 H new ATOM 0 HG3 ARG A 54 -5.362 5.585 -0.035 1.00 1.10 H new ATOM 0 HD2 ARG A 54 -4.956 7.540 1.390 1.00 1.31 H new ATOM 0 HD3 ARG A 54 -3.238 7.481 1.048 1.00 1.31 H new ATOM 0 HE ARG A 54 -3.998 7.857 -1.426 1.00 1.87 H new ATOM 0 HH11 ARG A 54 -5.665 9.109 1.427 1.00 2.70 H new ATOM 0 HH12 ARG A 54 -6.285 10.530 0.579 1.00 2.70 H new ATOM 0 HH21 ARG A 54 -4.782 9.687 -2.499 1.00 3.38 H new ATOM 0 HH22 ARG A 54 -5.786 10.856 -1.635 1.00 3.38 H new ATOM 831 N ILE A 55 -2.264 3.411 3.642 1.00 0.42 N ATOM 832 CA ILE A 55 -2.115 2.986 5.028 1.00 0.47 C ATOM 833 C ILE A 55 -0.684 3.204 5.522 1.00 0.49 C ATOM 834 O ILE A 55 -0.470 3.725 6.616 1.00 0.59 O ATOM 835 CB ILE A 55 -2.501 1.501 5.209 1.00 0.56 C ATOM 836 CG1 ILE A 55 -3.947 1.272 4.755 1.00 0.59 C ATOM 837 CG2 ILE A 55 -2.326 1.077 6.661 1.00 0.66 C ATOM 838 CD1 ILE A 55 -4.387 -0.177 4.818 1.00 1.24 C ATOM 0 H ILE A 55 -2.342 2.647 2.971 1.00 0.42 H new ATOM 0 HA ILE A 55 -2.793 3.599 5.622 1.00 0.47 H new ATOM 0 HB ILE A 55 -1.840 0.892 4.592 1.00 0.56 H new ATOM 0 HG12 ILE A 55 -4.612 1.871 5.377 1.00 0.59 H new ATOM 0 HG13 ILE A 55 -4.058 1.631 3.732 1.00 0.59 H new ATOM 0 HG21 ILE A 55 -2.603 0.028 6.770 1.00 0.66 H new ATOM 0 HG22 ILE A 55 -1.285 1.210 6.956 1.00 0.66 H new ATOM 0 HG23 ILE A 55 -2.965 1.689 7.298 1.00 0.66 H new ATOM 0 HD11 ILE A 55 -5.421 -0.258 4.482 1.00 1.24 H new ATOM 0 HD12 ILE A 55 -3.747 -0.780 4.174 1.00 1.24 H new ATOM 0 HD13 ILE A 55 -4.310 -0.536 5.844 1.00 1.24 H new ATOM 850 N LEU A 56 0.283 2.816 4.697 1.00 0.45 N ATOM 851 CA LEU A 56 1.695 2.875 5.072 1.00 0.52 C ATOM 852 C LEU A 56 2.173 4.322 5.193 1.00 0.53 C ATOM 853 O LEU A 56 2.828 4.690 6.167 1.00 0.65 O ATOM 854 CB LEU A 56 2.532 2.115 4.028 1.00 0.57 C ATOM 855 CG LEU A 56 3.943 1.681 4.458 1.00 0.75 C ATOM 856 CD1 LEU A 56 4.489 0.654 3.478 1.00 1.04 C ATOM 857 CD2 LEU A 56 4.898 2.866 4.535 1.00 1.63 C ATOM 0 H LEU A 56 0.115 2.455 3.758 1.00 0.45 H new ATOM 0 HA LEU A 56 1.819 2.405 6.048 1.00 0.52 H new ATOM 0 HB2 LEU A 56 1.978 1.225 3.730 1.00 0.57 H new ATOM 0 HB3 LEU A 56 2.624 2.744 3.143 1.00 0.57 H new ATOM 0 HG LEU A 56 3.866 1.243 5.453 1.00 0.75 H new ATOM 0 HD11 LEU A 56 5.489 0.351 3.788 1.00 1.04 H new ATOM 0 HD12 LEU A 56 3.834 -0.217 3.462 1.00 1.04 H new ATOM 0 HD13 LEU A 56 4.536 1.092 2.481 1.00 1.04 H new ATOM 0 HD21 LEU A 56 5.885 2.519 4.842 1.00 1.63 H new ATOM 0 HD22 LEU A 56 4.969 3.341 3.556 1.00 1.63 H new ATOM 0 HD23 LEU A 56 4.525 3.587 5.262 1.00 1.63 H new ATOM 869 N LEU A 57 1.836 5.138 4.204 1.00 0.51 N ATOM 870 CA LEU A 57 2.329 6.508 4.143 1.00 0.63 C ATOM 871 C LEU A 57 1.680 7.375 5.221 1.00 0.72 C ATOM 872 O LEU A 57 2.314 8.284 5.762 1.00 1.16 O ATOM 873 CB LEU A 57 2.054 7.100 2.761 1.00 0.80 C ATOM 874 CG LEU A 57 2.771 8.414 2.459 1.00 1.29 C ATOM 875 CD1 LEU A 57 4.272 8.198 2.401 1.00 1.68 C ATOM 876 CD2 LEU A 57 2.268 9.004 1.154 1.00 2.17 C ATOM 0 H LEU A 57 1.223 4.875 3.432 1.00 0.51 H new ATOM 0 HA LEU A 57 3.404 6.491 4.322 1.00 0.63 H new ATOM 0 HB2 LEU A 57 2.340 6.367 2.007 1.00 0.80 H new ATOM 0 HB3 LEU A 57 0.981 7.259 2.659 1.00 0.80 H new ATOM 0 HG LEU A 57 2.555 9.119 3.262 1.00 1.29 H new ATOM 0 HD11 LEU A 57 4.768 9.144 2.185 1.00 1.68 H new ATOM 0 HD12 LEU A 57 4.622 7.816 3.360 1.00 1.68 H new ATOM 0 HD13 LEU A 57 4.506 7.478 1.616 1.00 1.68 H new ATOM 0 HD21 LEU A 57 2.789 9.940 0.953 1.00 2.17 H new ATOM 0 HD22 LEU A 57 2.456 8.303 0.341 1.00 2.17 H new ATOM 0 HD23 LEU A 57 1.197 9.194 1.229 1.00 2.17 H new ATOM 888 N GLN A 58 0.408 7.108 5.491 1.00 0.61 N ATOM 889 CA GLN A 58 -0.358 7.819 6.516 1.00 0.79 C ATOM 890 C GLN A 58 0.410 7.946 7.835 1.00 1.05 C ATOM 891 O GLN A 58 0.636 6.955 8.533 1.00 2.03 O ATOM 892 CB GLN A 58 -1.678 7.089 6.757 1.00 0.90 C ATOM 893 CG GLN A 58 -2.577 7.746 7.788 1.00 1.29 C ATOM 894 CD GLN A 58 -3.821 6.927 8.074 1.00 1.60 C ATOM 895 OE1 GLN A 58 -4.875 7.470 8.409 1.00 2.30 O ATOM 896 NE2 GLN A 58 -3.709 5.613 7.959 1.00 1.85 N ATOM 0 H GLN A 58 -0.127 6.389 5.004 1.00 0.61 H new ATOM 0 HA GLN A 58 -0.542 8.829 6.150 1.00 0.79 H new ATOM 0 HB2 GLN A 58 -2.218 7.019 5.813 1.00 0.90 H new ATOM 0 HB3 GLN A 58 -1.463 6.070 7.077 1.00 0.90 H new ATOM 0 HG2 GLN A 58 -2.019 7.890 8.713 1.00 1.29 H new ATOM 0 HG3 GLN A 58 -2.869 8.735 7.434 1.00 1.29 H new ATOM 0 HE21 GLN A 58 -2.820 5.200 7.679 1.00 1.85 H new ATOM 0 HE22 GLN A 58 -4.512 5.014 8.150 1.00 1.85 H new ATOM 905 N GLY A 59 0.803 9.170 8.167 1.00 0.97 N ATOM 906 CA GLY A 59 1.452 9.419 9.438 1.00 1.28 C ATOM 907 C GLY A 59 2.896 9.857 9.300 1.00 1.13 C ATOM 908 O GLY A 59 3.497 10.327 10.263 1.00 1.42 O ATOM 0 H GLY A 59 0.683 9.994 7.578 1.00 0.97 H new ATOM 0 HA2 GLY A 59 0.897 10.187 9.977 1.00 1.28 H new ATOM 0 HA3 GLY A 59 1.411 8.513 10.042 1.00 1.28 H new ATOM 912 N THR A 60 3.460 9.711 8.109 1.00 0.95 N ATOM 913 CA THR A 60 4.861 10.066 7.899 1.00 0.99 C ATOM 914 C THR A 60 5.026 11.511 7.429 1.00 1.06 C ATOM 915 O THR A 60 6.143 12.022 7.363 1.00 1.25 O ATOM 916 CB THR A 60 5.526 9.130 6.873 1.00 1.04 C ATOM 917 OG1 THR A 60 4.810 9.180 5.633 1.00 0.99 O ATOM 918 CG2 THR A 60 5.560 7.699 7.387 1.00 1.21 C ATOM 0 H THR A 60 2.979 9.355 7.283 1.00 0.95 H new ATOM 0 HA THR A 60 5.350 9.956 8.867 1.00 0.99 H new ATOM 0 HB THR A 60 6.551 9.466 6.717 1.00 1.04 H new ATOM 0 HG1 THR A 60 4.040 8.575 5.675 1.00 0.99 H new ATOM 0 HG21 THR A 60 6.034 7.057 6.645 1.00 1.21 H new ATOM 0 HG22 THR A 60 6.128 7.660 8.317 1.00 1.21 H new ATOM 0 HG23 THR A 60 4.542 7.353 7.569 1.00 1.21 H new ATOM 926 N GLY A 61 3.919 12.177 7.119 1.00 1.08 N ATOM 927 CA GLY A 61 3.988 13.548 6.641 1.00 1.32 C ATOM 928 C GLY A 61 4.450 13.652 5.197 1.00 1.26 C ATOM 929 O GLY A 61 4.737 14.744 4.702 1.00 1.35 O ATOM 0 H GLY A 61 2.976 11.794 7.190 1.00 1.08 H new ATOM 0 HA2 GLY A 61 3.005 14.010 6.736 1.00 1.32 H new ATOM 0 HA3 GLY A 61 4.669 14.114 7.276 1.00 1.32 H new ATOM 933 N LEU A 62 4.521 12.520 4.515 1.00 1.16 N ATOM 934 CA LEU A 62 4.950 12.495 3.128 1.00 1.11 C ATOM 935 C LEU A 62 3.739 12.380 2.211 1.00 1.07 C ATOM 936 O LEU A 62 2.654 11.994 2.655 1.00 1.14 O ATOM 937 CB LEU A 62 5.892 11.315 2.887 1.00 1.10 C ATOM 938 CG LEU A 62 7.106 11.243 3.819 1.00 1.19 C ATOM 939 CD1 LEU A 62 7.914 9.983 3.545 1.00 1.23 C ATOM 940 CD2 LEU A 62 7.979 12.477 3.662 1.00 1.28 C ATOM 0 H LEU A 62 4.286 11.606 4.901 1.00 1.16 H new ATOM 0 HA LEU A 62 5.480 13.422 2.909 1.00 1.11 H new ATOM 0 HB2 LEU A 62 5.323 10.391 2.987 1.00 1.10 H new ATOM 0 HB3 LEU A 62 6.248 11.360 1.858 1.00 1.10 H new ATOM 0 HG LEU A 62 6.745 11.207 4.847 1.00 1.19 H new ATOM 0 HD11 LEU A 62 8.772 9.948 4.216 1.00 1.23 H new ATOM 0 HD12 LEU A 62 7.288 9.106 3.711 1.00 1.23 H new ATOM 0 HD13 LEU A 62 8.261 9.991 2.512 1.00 1.23 H new ATOM 0 HD21 LEU A 62 8.835 12.405 4.333 1.00 1.28 H new ATOM 0 HD22 LEU A 62 8.330 12.546 2.632 1.00 1.28 H new ATOM 0 HD23 LEU A 62 7.399 13.367 3.908 1.00 1.28 H new ATOM 952 N ARG A 63 3.921 12.727 0.947 1.00 1.01 N ATOM 953 CA ARG A 63 2.861 12.615 -0.045 1.00 1.03 C ATOM 954 C ARG A 63 3.350 11.829 -1.249 1.00 0.92 C ATOM 955 O ARG A 63 4.522 11.917 -1.620 1.00 0.87 O ATOM 956 CB ARG A 63 2.389 13.999 -0.494 1.00 1.15 C ATOM 957 CG ARG A 63 1.678 14.790 0.590 1.00 1.51 C ATOM 958 CD ARG A 63 1.119 16.093 0.049 1.00 1.78 C ATOM 959 NE ARG A 63 0.270 16.765 1.026 1.00 2.51 N ATOM 960 CZ ARG A 63 -0.996 17.111 0.796 1.00 3.28 C ATOM 961 NH1 ARG A 63 -1.547 16.879 -0.390 1.00 3.53 N ATOM 962 NH2 ARG A 63 -1.703 17.698 1.752 1.00 4.21 N ATOM 0 H ARG A 63 4.800 13.092 0.581 1.00 1.01 H new ATOM 0 HA ARG A 63 2.023 12.090 0.413 1.00 1.03 H new ATOM 0 HB2 ARG A 63 3.250 14.570 -0.841 1.00 1.15 H new ATOM 0 HB3 ARG A 63 1.718 13.884 -1.345 1.00 1.15 H new ATOM 0 HG2 ARG A 63 0.869 14.191 1.008 1.00 1.51 H new ATOM 0 HG3 ARG A 63 2.372 15.000 1.404 1.00 1.51 H new ATOM 0 HD2 ARG A 63 1.940 16.752 -0.233 1.00 1.78 H new ATOM 0 HD3 ARG A 63 0.545 15.894 -0.856 1.00 1.78 H new ATOM 0 HE ARG A 63 0.669 16.983 1.939 1.00 2.51 H new ATOM 0 HH11 ARG A 63 -1.001 16.435 -1.128 1.00 3.53 H new ATOM 0 HH12 ARG A 63 -2.516 17.145 -0.563 1.00 3.53 H new ATOM 0 HH21 ARG A 63 -1.277 17.883 2.660 1.00 4.21 H new ATOM 0 HH22 ARG A 63 -2.672 17.964 1.579 1.00 4.21 H new ATOM 976 N TYR A 64 2.458 11.060 -1.857 1.00 0.96 N ATOM 977 CA TYR A 64 2.832 10.272 -3.021 1.00 0.91 C ATOM 978 C TYR A 64 2.264 10.884 -4.298 1.00 0.89 C ATOM 979 O TYR A 64 1.056 11.092 -4.426 1.00 0.94 O ATOM 980 CB TYR A 64 2.417 8.793 -2.876 1.00 0.92 C ATOM 981 CG TYR A 64 0.922 8.513 -2.868 1.00 0.97 C ATOM 982 CD1 TYR A 64 0.236 8.248 -4.050 1.00 1.06 C ATOM 983 CD2 TYR A 64 0.203 8.485 -1.679 1.00 1.02 C ATOM 984 CE1 TYR A 64 -1.115 7.969 -4.047 1.00 1.18 C ATOM 985 CE2 TYR A 64 -1.150 8.200 -1.668 1.00 1.14 C ATOM 986 CZ TYR A 64 -1.803 7.946 -2.857 1.00 1.20 C ATOM 987 OH TYR A 64 -3.150 7.659 -2.854 1.00 1.37 O ATOM 0 H TYR A 64 1.484 10.966 -1.569 1.00 0.96 H new ATOM 0 HA TYR A 64 3.920 10.291 -3.090 1.00 0.91 H new ATOM 0 HB2 TYR A 64 2.867 8.229 -3.693 1.00 0.92 H new ATOM 0 HB3 TYR A 64 2.843 8.407 -1.950 1.00 0.92 H new ATOM 0 HD1 TYR A 64 0.772 8.261 -4.988 1.00 1.06 H new ATOM 0 HD2 TYR A 64 0.710 8.689 -0.747 1.00 1.02 H new ATOM 0 HE1 TYR A 64 -1.630 7.770 -4.975 1.00 1.18 H new ATOM 0 HE2 TYR A 64 -1.693 8.176 -0.734 1.00 1.14 H new ATOM 0 HH TYR A 64 -3.284 6.721 -2.603 1.00 1.37 H new ATOM 997 N GLN A 65 3.150 11.209 -5.221 1.00 0.90 N ATOM 998 CA GLN A 65 2.744 11.637 -6.546 1.00 0.93 C ATOM 999 C GLN A 65 2.820 10.440 -7.484 1.00 0.87 C ATOM 1000 O GLN A 65 3.906 9.997 -7.857 1.00 0.86 O ATOM 1001 CB GLN A 65 3.645 12.774 -7.040 1.00 1.03 C ATOM 1002 CG GLN A 65 3.224 13.353 -8.382 1.00 1.59 C ATOM 1003 CD GLN A 65 1.813 13.911 -8.362 1.00 2.07 C ATOM 1004 OE1 GLN A 65 0.848 13.195 -8.633 1.00 2.64 O ATOM 1005 NE2 GLN A 65 1.678 15.194 -8.058 1.00 2.63 N ATOM 0 H GLN A 65 4.159 11.184 -5.076 1.00 0.90 H new ATOM 0 HA GLN A 65 1.722 12.015 -6.518 1.00 0.93 H new ATOM 0 HB2 GLN A 65 3.649 13.571 -6.296 1.00 1.03 H new ATOM 0 HB3 GLN A 65 4.668 12.406 -7.119 1.00 1.03 H new ATOM 0 HG2 GLN A 65 3.919 14.143 -8.666 1.00 1.59 H new ATOM 0 HG3 GLN A 65 3.293 12.578 -9.145 1.00 1.59 H new ATOM 0 HE21 GLN A 65 2.501 15.756 -7.839 1.00 2.63 H new ATOM 0 HE22 GLN A 65 0.751 15.620 -8.043 1.00 2.63 H new ATOM 1014 N ILE A 66 1.663 9.908 -7.840 1.00 0.88 N ATOM 1015 CA ILE A 66 1.596 8.657 -8.580 1.00 0.86 C ATOM 1016 C ILE A 66 1.321 8.894 -10.066 1.00 0.98 C ATOM 1017 O ILE A 66 0.352 9.556 -10.444 1.00 1.11 O ATOM 1018 CB ILE A 66 0.528 7.709 -7.976 1.00 0.92 C ATOM 1019 CG1 ILE A 66 0.449 6.397 -8.764 1.00 1.02 C ATOM 1020 CG2 ILE A 66 -0.836 8.390 -7.923 1.00 1.28 C ATOM 1021 CD1 ILE A 66 -0.513 5.386 -8.173 1.00 1.13 C ATOM 0 H ILE A 66 0.755 10.323 -7.629 1.00 0.88 H new ATOM 0 HA ILE A 66 2.572 8.179 -8.493 1.00 0.86 H new ATOM 0 HB ILE A 66 0.830 7.472 -6.956 1.00 0.92 H new ATOM 0 HG12 ILE A 66 0.147 6.617 -9.788 1.00 1.02 H new ATOM 0 HG13 ILE A 66 1.443 5.953 -8.813 1.00 1.02 H new ATOM 0 HG21 ILE A 66 -1.568 7.705 -7.496 1.00 1.28 H new ATOM 0 HG22 ILE A 66 -0.772 9.285 -7.304 1.00 1.28 H new ATOM 0 HG23 ILE A 66 -1.144 8.667 -8.931 1.00 1.28 H new ATOM 0 HD11 ILE A 66 -0.514 4.484 -8.785 1.00 1.13 H new ATOM 0 HD12 ILE A 66 -0.201 5.136 -7.159 1.00 1.13 H new ATOM 0 HD13 ILE A 66 -1.517 5.810 -8.149 1.00 1.13 H new ATOM 1033 N ASP A 67 2.199 8.361 -10.901 1.00 1.04 N ATOM 1034 CA ASP A 67 2.054 8.454 -12.343 1.00 1.25 C ATOM 1035 C ASP A 67 2.133 7.059 -12.956 1.00 1.20 C ATOM 1036 O ASP A 67 3.214 6.581 -13.312 1.00 1.13 O ATOM 1037 CB ASP A 67 3.141 9.356 -12.933 1.00 1.45 C ATOM 1038 CG ASP A 67 2.971 9.577 -14.422 1.00 1.82 C ATOM 1039 OD1 ASP A 67 2.233 10.505 -14.814 1.00 2.29 O ATOM 1040 OD2 ASP A 67 3.568 8.819 -15.212 1.00 2.28 O ATOM 0 H ASP A 67 3.030 7.853 -10.598 1.00 1.04 H new ATOM 0 HA ASP A 67 1.083 8.892 -12.575 1.00 1.25 H new ATOM 0 HB2 ASP A 67 3.125 10.319 -12.423 1.00 1.45 H new ATOM 0 HB3 ASP A 67 4.118 8.911 -12.745 1.00 1.45 H new ATOM 1045 N GLY A 68 0.982 6.407 -13.054 1.00 1.28 N ATOM 1046 CA GLY A 68 0.922 5.062 -13.597 1.00 1.30 C ATOM 1047 C GLY A 68 1.601 4.039 -12.704 1.00 1.14 C ATOM 1048 O GLY A 68 1.014 3.571 -11.730 1.00 1.18 O ATOM 0 H GLY A 68 0.081 6.789 -12.765 1.00 1.28 H new ATOM 0 HA2 GLY A 68 -0.121 4.778 -13.740 1.00 1.30 H new ATOM 0 HA3 GLY A 68 1.393 5.050 -14.580 1.00 1.30 H new ATOM 1052 N ASN A 69 2.841 3.703 -13.033 1.00 1.03 N ATOM 1053 CA ASN A 69 3.596 2.711 -12.272 1.00 0.94 C ATOM 1054 C ASN A 69 4.772 3.366 -11.559 1.00 0.75 C ATOM 1055 O ASN A 69 5.524 2.711 -10.836 1.00 0.69 O ATOM 1056 CB ASN A 69 4.101 1.583 -13.186 1.00 1.06 C ATOM 1057 CG ASN A 69 5.144 2.044 -14.191 1.00 1.67 C ATOM 1058 OD1 ASN A 69 5.142 3.195 -14.629 1.00 2.35 O ATOM 1059 ND2 ASN A 69 6.044 1.147 -14.560 1.00 2.29 N ATOM 0 H ASN A 69 3.348 4.102 -13.823 1.00 1.03 H new ATOM 0 HA ASN A 69 2.926 2.280 -11.528 1.00 0.94 H new ATOM 0 HB2 ASN A 69 4.525 0.789 -12.571 1.00 1.06 H new ATOM 0 HB3 ASN A 69 3.255 1.153 -13.722 1.00 1.06 H new ATOM 0 HD21 ASN A 69 6.770 1.399 -15.230 1.00 2.29 H new ATOM 0 HD22 ASN A 69 6.012 0.203 -14.174 1.00 2.29 H new ATOM 1066 N THR A 70 4.914 4.668 -11.758 1.00 0.74 N ATOM 1067 CA THR A 70 5.981 5.429 -11.135 1.00 0.68 C ATOM 1068 C THR A 70 5.410 6.331 -10.043 1.00 0.63 C ATOM 1069 O THR A 70 4.414 7.020 -10.254 1.00 0.71 O ATOM 1070 CB THR A 70 6.738 6.284 -12.176 1.00 0.85 C ATOM 1071 OG1 THR A 70 7.244 5.445 -13.226 1.00 0.97 O ATOM 1072 CG2 THR A 70 7.889 7.041 -11.534 1.00 0.89 C ATOM 0 H THR A 70 4.296 5.221 -12.352 1.00 0.74 H new ATOM 0 HA THR A 70 6.686 4.724 -10.694 1.00 0.68 H new ATOM 0 HB THR A 70 6.036 7.008 -12.589 1.00 0.85 H new ATOM 0 HG1 THR A 70 7.721 5.994 -13.883 1.00 0.97 H new ATOM 0 HG21 THR A 70 8.402 7.633 -12.291 1.00 0.89 H new ATOM 0 HG22 THR A 70 7.502 7.701 -10.758 1.00 0.89 H new ATOM 0 HG23 THR A 70 8.589 6.332 -11.092 1.00 0.89 H new ATOM 1080 N VAL A 71 6.031 6.312 -8.879 1.00 0.56 N ATOM 1081 CA VAL A 71 5.543 7.069 -7.742 1.00 0.58 C ATOM 1082 C VAL A 71 6.656 7.922 -7.156 1.00 0.57 C ATOM 1083 O VAL A 71 7.753 7.432 -6.895 1.00 0.57 O ATOM 1084 CB VAL A 71 4.985 6.138 -6.647 1.00 0.60 C ATOM 1085 CG1 VAL A 71 4.423 6.944 -5.487 1.00 0.68 C ATOM 1086 CG2 VAL A 71 3.928 5.205 -7.221 1.00 0.65 C ATOM 0 H VAL A 71 6.880 5.777 -8.696 1.00 0.56 H new ATOM 0 HA VAL A 71 4.738 7.712 -8.097 1.00 0.58 H new ATOM 0 HB VAL A 71 5.806 5.529 -6.268 1.00 0.60 H new ATOM 0 HG11 VAL A 71 4.035 6.266 -4.727 1.00 0.68 H new ATOM 0 HG12 VAL A 71 5.212 7.560 -5.055 1.00 0.68 H new ATOM 0 HG13 VAL A 71 3.618 7.585 -5.846 1.00 0.68 H new ATOM 0 HG21 VAL A 71 3.548 4.557 -6.432 1.00 0.65 H new ATOM 0 HG22 VAL A 71 3.109 5.794 -7.634 1.00 0.65 H new ATOM 0 HG23 VAL A 71 4.370 4.596 -8.009 1.00 0.65 H new ATOM 1096 N THR A 72 6.369 9.194 -6.952 1.00 0.63 N ATOM 1097 CA THR A 72 7.333 10.111 -6.375 1.00 0.66 C ATOM 1098 C THR A 72 6.919 10.474 -4.952 1.00 0.70 C ATOM 1099 O THR A 72 5.889 11.114 -4.738 1.00 0.78 O ATOM 1100 CB THR A 72 7.449 11.394 -7.223 1.00 0.75 C ATOM 1101 OG1 THR A 72 7.709 11.049 -8.591 1.00 0.76 O ATOM 1102 CG2 THR A 72 8.562 12.297 -6.705 1.00 0.80 C ATOM 0 H THR A 72 5.469 9.618 -7.179 1.00 0.63 H new ATOM 0 HA THR A 72 8.305 9.617 -6.358 1.00 0.66 H new ATOM 0 HB THR A 72 6.506 11.935 -7.151 1.00 0.75 H new ATOM 0 HG1 THR A 72 7.780 11.867 -9.127 1.00 0.76 H new ATOM 0 HG21 THR A 72 8.620 13.193 -7.322 1.00 0.80 H new ATOM 0 HG22 THR A 72 8.351 12.580 -5.674 1.00 0.80 H new ATOM 0 HG23 THR A 72 9.512 11.765 -6.748 1.00 0.80 H new ATOM 1110 N VAL A 73 7.708 10.038 -3.983 1.00 0.70 N ATOM 1111 CA VAL A 73 7.421 10.314 -2.583 1.00 0.76 C ATOM 1112 C VAL A 73 8.089 11.615 -2.158 1.00 0.90 C ATOM 1113 O VAL A 73 9.307 11.681 -1.993 1.00 1.01 O ATOM 1114 CB VAL A 73 7.896 9.168 -1.662 1.00 0.79 C ATOM 1115 CG1 VAL A 73 7.479 9.426 -0.220 1.00 0.89 C ATOM 1116 CG2 VAL A 73 7.355 7.829 -2.145 1.00 0.75 C ATOM 0 H VAL A 73 8.554 9.490 -4.140 1.00 0.70 H new ATOM 0 HA VAL A 73 6.339 10.402 -2.484 1.00 0.76 H new ATOM 0 HB VAL A 73 8.985 9.131 -1.701 1.00 0.79 H new ATOM 0 HG11 VAL A 73 7.824 8.607 0.411 1.00 0.89 H new ATOM 0 HG12 VAL A 73 7.921 10.360 0.125 1.00 0.89 H new ATOM 0 HG13 VAL A 73 6.393 9.496 -0.162 1.00 0.89 H new ATOM 0 HG21 VAL A 73 7.702 7.036 -1.482 1.00 0.75 H new ATOM 0 HG22 VAL A 73 6.265 7.854 -2.142 1.00 0.75 H new ATOM 0 HG23 VAL A 73 7.710 7.637 -3.157 1.00 0.75 H new ATOM 1126 N THR A 74 7.284 12.647 -1.995 1.00 0.97 N ATOM 1127 CA THR A 74 7.792 13.958 -1.636 1.00 1.15 C ATOM 1128 C THR A 74 7.342 14.340 -0.228 1.00 1.11 C ATOM 1129 O THR A 74 6.263 13.944 0.222 1.00 0.99 O ATOM 1130 CB THR A 74 7.334 15.030 -2.654 1.00 1.38 C ATOM 1131 OG1 THR A 74 7.919 16.302 -2.341 1.00 1.87 O ATOM 1132 CG2 THR A 74 5.815 15.157 -2.679 1.00 1.47 C ATOM 0 H THR A 74 6.271 12.603 -2.106 1.00 0.97 H new ATOM 0 HA THR A 74 8.881 13.912 -1.656 1.00 1.15 H new ATOM 0 HB THR A 74 7.670 14.712 -3.641 1.00 1.38 H new ATOM 0 HG1 THR A 74 7.621 16.969 -2.995 1.00 1.87 H new ATOM 0 HG21 THR A 74 5.525 15.918 -3.404 1.00 1.47 H new ATOM 0 HG22 THR A 74 5.375 14.201 -2.961 1.00 1.47 H new ATOM 0 HG23 THR A 74 5.458 15.443 -1.690 1.00 1.47 H new