USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=20 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 14 ASN :FLIP amide:sc= -2.31 F(o=-6.5!,f=-2.3) USER MOD Set 1.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 24 THR OG1 : rot -69:sc= 2.05 USER MOD Set 2.2: A 26 THR OG1 : rot -93:sc= 1.22 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -1.72 F(o=-5.6!,f=-1.7) USER MOD Single : A 12 SER OG : rot 180:sc= 0.00155 USER MOD Single : A 13 MET CE :methyl 159:sc= -0.177 (180deg=-1.06) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc=-0.00189 F(o=-1.1,f=-0.0019) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0.352 K(o=0.35,f=-1.8) USER MOD Single : A 27 GLN : amide:sc= -0.187 K(o=-0.19,f=-0.86) USER MOD Single : A 31 SER OG : rot -133:sc= 1.26 USER MOD Single : A 40 SER OG : rot 97:sc= 1.25 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 47 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.17) USER MOD Single : A 50 GLN : amide:sc= 0.778 K(o=0.78,f=-6.9!) USER MOD Single : A 51 SER OG : rot 47:sc= 0.188 USER MOD Single : A 52 SER OG : rot -160:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.21) USER MOD Single : A 60 THR OG1 : rot -90:sc= 1.29 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.441 USER MOD Single : A 65 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.8!) USER MOD Single : A 69 ASN : amide:sc= -0.115 K(o=-0.12,f=-1.7!) USER MOD Single : A 70 THR OG1 : rot 78:sc= 0.0164 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 -5.024 -7.537 -6.101 1.00 0.57 N ATOM 32 CA GLU A 3 -4.454 -7.297 -4.791 1.00 0.47 C ATOM 33 C GLU A 3 -3.153 -8.066 -4.652 1.00 0.42 C ATOM 34 O GLU A 3 -2.907 -9.027 -5.386 1.00 0.50 O ATOM 35 CB GLU A 3 -5.416 -7.726 -3.682 1.00 0.58 C ATOM 36 CG GLU A 3 -6.744 -6.991 -3.696 1.00 0.70 C ATOM 37 CD GLU A 3 -7.624 -7.365 -2.520 1.00 1.26 C ATOM 38 OE1 GLU A 3 -8.056 -8.537 -2.444 1.00 1.35 O ATOM 39 OE2 GLU A 3 -7.896 -6.489 -1.673 1.00 1.99 O ATOM 0 HA GLU A 3 -4.269 -6.227 -4.693 1.00 0.47 H new ATOM 0 HB2 GLU A 3 -5.604 -8.796 -3.772 1.00 0.58 H new ATOM 0 HB3 GLU A 3 -4.935 -7.567 -2.717 1.00 0.58 H new ATOM 0 HG2 GLU A 3 -6.562 -5.916 -3.682 1.00 0.70 H new ATOM 0 HG3 GLU A 3 -7.269 -7.213 -4.625 1.00 0.70 H new ATOM 46 N TRP A 4 -2.334 -7.647 -3.707 1.00 0.36 N ATOM 47 CA TRP A 4 -1.068 -8.305 -3.450 1.00 0.38 C ATOM 48 C TRP A 4 -0.967 -8.676 -1.983 1.00 0.34 C ATOM 49 O TRP A 4 -1.517 -7.981 -1.123 1.00 0.34 O ATOM 50 CB TRP A 4 0.106 -7.398 -3.832 1.00 0.45 C ATOM 51 CG TRP A 4 0.274 -7.206 -5.308 1.00 0.57 C ATOM 52 CD1 TRP A 4 0.961 -8.022 -6.159 1.00 1.00 C ATOM 53 CD2 TRP A 4 -0.239 -6.131 -6.106 1.00 0.51 C ATOM 54 NE1 TRP A 4 0.900 -7.528 -7.438 1.00 1.17 N ATOM 55 CE2 TRP A 4 0.170 -6.368 -7.432 1.00 0.84 C ATOM 56 CE3 TRP A 4 -1.006 -4.994 -5.832 1.00 0.53 C ATOM 57 CZ2 TRP A 4 -0.160 -5.511 -8.479 1.00 0.89 C ATOM 58 CZ3 TRP A 4 -1.335 -4.145 -6.872 1.00 0.60 C ATOM 59 CH2 TRP A 4 -0.913 -4.408 -8.181 1.00 0.65 C ATOM 0 H TRP A 4 -2.525 -6.849 -3.101 1.00 0.36 H new ATOM 0 HA TRP A 4 -1.023 -9.208 -4.059 1.00 0.38 H new ATOM 0 HB2 TRP A 4 -0.034 -6.424 -3.363 1.00 0.45 H new ATOM 0 HB3 TRP A 4 1.025 -7.819 -3.424 1.00 0.45 H new ATOM 0 HD1 TRP A 4 1.477 -8.925 -5.868 1.00 1.00 H new ATOM 0 HE1 TRP A 4 1.328 -7.955 -8.259 1.00 1.17 H new ATOM 0 HE3 TRP A 4 -1.335 -4.783 -4.825 1.00 0.53 H new ATOM 0 HZ2 TRP A 4 0.166 -5.710 -9.489 1.00 0.89 H new ATOM 0 HZ3 TRP A 4 -1.927 -3.264 -6.672 1.00 0.60 H new ATOM 0 HH2 TRP A 4 -1.188 -3.726 -8.972 1.00 0.65 H new ATOM 70 N THR A 5 -0.281 -9.767 -1.702 1.00 0.37 N ATOM 71 CA THR A 5 0.023 -10.128 -0.337 1.00 0.39 C ATOM 72 C THR A 5 1.428 -9.634 -0.020 1.00 0.35 C ATOM 73 O THR A 5 2.425 -10.269 -0.370 1.00 0.44 O ATOM 74 CB THR A 5 -0.079 -11.650 -0.110 1.00 0.55 C ATOM 75 OG1 THR A 5 -1.399 -12.105 -0.447 1.00 1.13 O ATOM 76 CG2 THR A 5 0.218 -12.004 1.339 1.00 1.11 C ATOM 0 H THR A 5 0.075 -10.417 -2.403 1.00 0.37 H new ATOM 0 HA THR A 5 -0.705 -9.663 0.328 1.00 0.39 H new ATOM 0 HB THR A 5 0.657 -12.139 -0.749 1.00 0.55 H new ATOM 0 HG1 THR A 5 -1.458 -13.073 -0.303 1.00 1.13 H new ATOM 0 HG21 THR A 5 0.140 -13.083 1.473 1.00 1.11 H new ATOM 0 HG22 THR A 5 1.227 -11.679 1.594 1.00 1.11 H new ATOM 0 HG23 THR A 5 -0.499 -11.504 1.990 1.00 1.11 H new ATOM 84 N LEU A 6 1.492 -8.484 0.625 1.00 0.30 N ATOM 85 CA LEU A 6 2.743 -7.779 0.818 1.00 0.34 C ATOM 86 C LEU A 6 3.441 -8.211 2.094 1.00 0.42 C ATOM 87 O LEU A 6 2.813 -8.721 3.020 1.00 0.75 O ATOM 88 CB LEU A 6 2.488 -6.271 0.849 1.00 0.42 C ATOM 89 CG LEU A 6 1.816 -5.707 -0.405 1.00 0.47 C ATOM 90 CD1 LEU A 6 1.506 -4.229 -0.225 1.00 0.66 C ATOM 91 CD2 LEU A 6 2.697 -5.914 -1.628 1.00 0.53 C ATOM 0 H LEU A 6 0.681 -8.015 1.028 1.00 0.30 H new ATOM 0 HA LEU A 6 3.398 -8.025 -0.018 1.00 0.34 H new ATOM 0 HB2 LEU A 6 1.865 -6.040 1.713 1.00 0.42 H new ATOM 0 HB3 LEU A 6 3.439 -5.759 0.996 1.00 0.42 H new ATOM 0 HG LEU A 6 0.880 -6.244 -0.559 1.00 0.47 H new ATOM 0 HD11 LEU A 6 1.029 -3.845 -1.126 1.00 0.66 H new ATOM 0 HD12 LEU A 6 0.835 -4.099 0.624 1.00 0.66 H new ATOM 0 HD13 LEU A 6 2.432 -3.683 -0.044 1.00 0.66 H new ATOM 0 HD21 LEU A 6 2.200 -5.506 -2.508 1.00 0.53 H new ATOM 0 HD22 LEU A 6 3.650 -5.405 -1.481 1.00 0.53 H new ATOM 0 HD23 LEU A 6 2.874 -6.980 -1.773 1.00 0.53 H new ATOM 103 N ASP A 7 4.745 -8.003 2.121 1.00 0.38 N ATOM 104 CA ASP A 7 5.554 -8.240 3.307 1.00 0.44 C ATOM 105 C ASP A 7 6.519 -7.080 3.466 1.00 0.39 C ATOM 106 O ASP A 7 7.552 -7.017 2.797 1.00 0.46 O ATOM 107 CB ASP A 7 6.310 -9.565 3.184 1.00 0.58 C ATOM 108 CG ASP A 7 7.142 -9.896 4.412 1.00 1.30 C ATOM 109 OD1 ASP A 7 6.561 -10.281 5.447 1.00 1.67 O ATOM 110 OD2 ASP A 7 8.380 -9.733 4.363 1.00 2.12 O ATOM 0 H ASP A 7 5.276 -7.664 1.319 1.00 0.38 H new ATOM 0 HA ASP A 7 4.915 -8.309 4.187 1.00 0.44 H new ATOM 0 HB2 ASP A 7 5.595 -10.369 3.010 1.00 0.58 H new ATOM 0 HB3 ASP A 7 6.962 -9.524 2.312 1.00 0.58 H new ATOM 115 N ILE A 8 6.154 -6.141 4.321 1.00 0.35 N ATOM 116 CA ILE A 8 6.889 -4.893 4.447 1.00 0.32 C ATOM 117 C ILE A 8 7.691 -4.856 5.741 1.00 0.30 C ATOM 118 O ILE A 8 7.139 -5.008 6.832 1.00 0.35 O ATOM 119 CB ILE A 8 5.934 -3.677 4.391 1.00 0.37 C ATOM 120 CG1 ILE A 8 5.195 -3.648 3.047 1.00 0.52 C ATOM 121 CG2 ILE A 8 6.699 -2.378 4.611 1.00 0.44 C ATOM 122 CD1 ILE A 8 6.111 -3.533 1.845 1.00 0.91 C ATOM 0 H ILE A 8 5.349 -6.219 4.942 1.00 0.35 H new ATOM 0 HA ILE A 8 7.579 -4.837 3.605 1.00 0.32 H new ATOM 0 HB ILE A 8 5.200 -3.775 5.191 1.00 0.37 H new ATOM 0 HG12 ILE A 8 4.599 -4.556 2.952 1.00 0.52 H new ATOM 0 HG13 ILE A 8 4.500 -2.808 3.044 1.00 0.52 H new ATOM 0 HG21 ILE A 8 6.007 -1.537 4.567 1.00 0.44 H new ATOM 0 HG22 ILE A 8 7.181 -2.401 5.588 1.00 0.44 H new ATOM 0 HG23 ILE A 8 7.456 -2.266 3.835 1.00 0.44 H new ATOM 0 HD11 ILE A 8 5.514 -3.519 0.933 1.00 0.91 H new ATOM 0 HD12 ILE A 8 6.689 -2.612 1.915 1.00 0.91 H new ATOM 0 HD13 ILE A 8 6.789 -4.386 1.822 1.00 0.91 H new ATOM 134 N PRO A 9 9.016 -4.677 5.611 1.00 0.26 N ATOM 135 CA PRO A 9 9.928 -4.547 6.753 1.00 0.26 C ATOM 136 C PRO A 9 9.551 -3.395 7.684 1.00 0.27 C ATOM 137 O PRO A 9 8.858 -2.458 7.286 1.00 0.32 O ATOM 138 CB PRO A 9 11.285 -4.272 6.094 1.00 0.29 C ATOM 139 CG PRO A 9 11.162 -4.816 4.715 1.00 0.35 C ATOM 140 CD PRO A 9 9.730 -4.612 4.324 1.00 0.29 C ATOM 0 HA PRO A 9 9.910 -5.436 7.384 1.00 0.26 H new ATOM 0 HB2 PRO A 9 11.507 -3.205 6.079 1.00 0.29 H new ATOM 0 HB3 PRO A 9 12.094 -4.758 6.639 1.00 0.29 H new ATOM 0 HG2 PRO A 9 11.833 -4.299 4.029 1.00 0.35 H new ATOM 0 HG3 PRO A 9 11.429 -5.872 4.686 1.00 0.35 H new ATOM 0 HD2 PRO A 9 9.581 -3.652 3.829 1.00 0.29 H new ATOM 0 HD3 PRO A 9 9.387 -5.383 3.634 1.00 0.29 H new ATOM 148 N ALA A 10 10.035 -3.460 8.917 1.00 0.30 N ATOM 149 CA ALA A 10 9.727 -2.447 9.924 1.00 0.33 C ATOM 150 C ALA A 10 10.998 -1.747 10.376 1.00 0.35 C ATOM 151 O ALA A 10 11.095 -1.244 11.495 1.00 0.43 O ATOM 152 CB ALA A 10 9.009 -3.078 11.108 1.00 0.41 C ATOM 0 H ALA A 10 10.646 -4.207 9.248 1.00 0.30 H new ATOM 0 HA ALA A 10 9.066 -1.703 9.480 1.00 0.33 H new ATOM 0 HB1 ALA A 10 8.786 -2.311 11.850 1.00 0.41 H new ATOM 0 HB2 ALA A 10 8.080 -3.535 10.768 1.00 0.41 H new ATOM 0 HB3 ALA A 10 9.646 -3.841 11.555 1.00 0.41 H new ATOM 158 N GLN A 11 11.978 -1.737 9.492 1.00 0.34 N ATOM 159 CA GLN A 11 13.251 -1.104 9.773 1.00 0.40 C ATOM 160 C GLN A 11 13.388 0.157 8.932 1.00 0.35 C ATOM 161 O GLN A 11 12.405 0.859 8.702 1.00 0.37 O ATOM 162 CB GLN A 11 14.406 -2.075 9.486 1.00 0.53 C ATOM 163 CG GLN A 11 14.297 -3.389 10.244 1.00 0.96 C ATOM 164 CD GLN A 11 13.478 -4.434 9.505 1.00 0.90 C ATOM 165 OE1 GLN A 11 13.603 -4.468 8.190 1.00 1.61 O flip ATOM 166 NE2 GLN A 11 12.776 -5.235 10.116 1.00 0.90 N flip ATOM 0 H GLN A 11 11.915 -2.163 8.568 1.00 0.34 H new ATOM 0 HA GLN A 11 13.292 -0.832 10.828 1.00 0.40 H new ATOM 0 HB2 GLN A 11 14.438 -2.283 8.417 1.00 0.53 H new ATOM 0 HB3 GLN A 11 15.349 -1.593 9.745 1.00 0.53 H new ATOM 0 HG2 GLN A 11 15.298 -3.781 10.426 1.00 0.96 H new ATOM 0 HG3 GLN A 11 13.845 -3.204 11.219 1.00 0.96 H new ATOM 0 HE21 GLN A 11 12.703 -5.178 11.132 1.00 0.90 H new ATOM 0 HE22 GLN A 11 12.265 -5.957 9.608 1.00 0.90 H new ATOM 175 N SER A 12 14.603 0.445 8.492 1.00 0.38 N ATOM 176 CA SER A 12 14.861 1.602 7.648 1.00 0.40 C ATOM 177 C SER A 12 13.933 1.610 6.431 1.00 0.36 C ATOM 178 O SER A 12 13.832 0.622 5.698 1.00 0.34 O ATOM 179 CB SER A 12 16.320 1.587 7.198 1.00 0.50 C ATOM 180 OG SER A 12 17.187 1.378 8.304 1.00 1.30 O ATOM 0 H SER A 12 15.431 -0.110 8.707 1.00 0.38 H new ATOM 0 HA SER A 12 14.667 2.506 8.225 1.00 0.40 H new ATOM 0 HB2 SER A 12 16.469 0.800 6.459 1.00 0.50 H new ATOM 0 HB3 SER A 12 16.565 2.531 6.711 1.00 0.50 H new ATOM 0 HG SER A 12 18.117 1.370 7.994 1.00 1.30 H new ATOM 186 N MET A 13 13.250 2.742 6.254 1.00 0.42 N ATOM 187 CA MET A 13 12.293 2.946 5.164 1.00 0.46 C ATOM 188 C MET A 13 12.880 2.558 3.809 1.00 0.42 C ATOM 189 O MET A 13 12.167 2.072 2.931 1.00 0.45 O ATOM 190 CB MET A 13 11.861 4.416 5.138 1.00 0.61 C ATOM 191 CG MET A 13 10.725 4.708 4.173 1.00 0.68 C ATOM 192 SD MET A 13 9.153 4.020 4.723 1.00 1.29 S ATOM 193 CE MET A 13 8.882 4.963 6.223 1.00 1.00 C ATOM 0 H MET A 13 13.346 3.551 6.868 1.00 0.42 H new ATOM 0 HA MET A 13 11.433 2.302 5.346 1.00 0.46 H new ATOM 0 HB2 MET A 13 11.557 4.713 6.142 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.719 5.032 4.870 1.00 0.61 H new ATOM 0 HG2 MET A 13 10.623 5.787 4.054 1.00 0.68 H new ATOM 0 HG3 MET A 13 10.972 4.301 3.193 1.00 0.68 H new ATOM 0 HE1 MET A 13 7.823 4.942 6.479 1.00 1.00 H new ATOM 0 HE2 MET A 13 9.461 4.527 7.037 1.00 1.00 H new ATOM 0 HE3 MET A 13 9.197 5.995 6.066 1.00 1.00 H new ATOM 203 N ASN A 14 14.182 2.780 3.656 1.00 0.41 N ATOM 204 CA ASN A 14 14.893 2.459 2.420 1.00 0.45 C ATOM 205 C ASN A 14 14.748 0.985 2.044 1.00 0.41 C ATOM 206 O ASN A 14 14.704 0.639 0.861 1.00 0.47 O ATOM 207 CB ASN A 14 16.376 2.807 2.549 1.00 0.52 C ATOM 208 CG ASN A 14 16.638 4.298 2.540 1.00 1.32 C ATOM 209 OD1 ASN A 14 16.873 4.849 1.361 1.00 2.26 O flip ATOM 210 ND2 ASN A 14 16.630 4.951 3.584 1.00 1.85 N flip ATOM 0 H ASN A 14 14.773 3.186 4.381 1.00 0.41 H new ATOM 0 HA ASN A 14 14.443 3.058 1.628 1.00 0.45 H new ATOM 0 HB2 ASN A 14 16.764 2.381 3.474 1.00 0.52 H new ATOM 0 HB3 ASN A 14 16.925 2.343 1.730 1.00 0.52 H new ATOM 0 HD21 ASN A 14 16.444 4.488 4.474 1.00 1.85 H new ATOM 0 HD22 ASN A 14 16.809 5.955 3.559 1.00 1.85 H new ATOM 217 N SER A 15 14.672 0.118 3.043 1.00 0.36 N ATOM 218 CA SER A 15 14.567 -1.310 2.802 1.00 0.36 C ATOM 219 C SER A 15 13.134 -1.673 2.440 1.00 0.32 C ATOM 220 O SER A 15 12.884 -2.399 1.478 1.00 0.32 O ATOM 221 CB SER A 15 14.998 -2.087 4.047 1.00 0.38 C ATOM 222 OG SER A 15 16.207 -1.564 4.580 1.00 1.20 O ATOM 0 H SER A 15 14.681 0.381 4.029 1.00 0.36 H new ATOM 0 HA SER A 15 15.223 -1.575 1.973 1.00 0.36 H new ATOM 0 HB2 SER A 15 14.212 -2.038 4.801 1.00 0.38 H new ATOM 0 HB3 SER A 15 15.132 -3.139 3.795 1.00 0.38 H new ATOM 0 HG SER A 15 16.462 -2.076 5.376 1.00 1.20 H new ATOM 228 N ALA A 16 12.196 -1.139 3.214 1.00 0.31 N ATOM 229 CA ALA A 16 10.785 -1.450 3.047 1.00 0.32 C ATOM 230 C ALA A 16 10.257 -0.979 1.694 1.00 0.30 C ATOM 231 O ALA A 16 9.526 -1.705 1.020 1.00 0.29 O ATOM 232 CB ALA A 16 9.986 -0.835 4.181 1.00 0.38 C ATOM 0 H ALA A 16 12.392 -0.483 3.970 1.00 0.31 H new ATOM 0 HA ALA A 16 10.671 -2.534 3.075 1.00 0.32 H new ATOM 0 HB1 ALA A 16 8.930 -1.071 4.051 1.00 0.38 H new ATOM 0 HB2 ALA A 16 10.334 -1.239 5.132 1.00 0.38 H new ATOM 0 HB3 ALA A 16 10.120 0.247 4.175 1.00 0.38 H new ATOM 238 N LEU A 17 10.637 0.229 1.295 1.00 0.31 N ATOM 239 CA LEU A 17 10.201 0.773 0.014 1.00 0.33 C ATOM 240 C LEU A 17 10.783 -0.028 -1.143 1.00 0.32 C ATOM 241 O LEU A 17 10.083 -0.341 -2.103 1.00 0.35 O ATOM 242 CB LEU A 17 10.590 2.246 -0.115 1.00 0.38 C ATOM 243 CG LEU A 17 9.860 3.195 0.837 1.00 0.46 C ATOM 244 CD1 LEU A 17 10.312 4.628 0.609 1.00 0.92 C ATOM 245 CD2 LEU A 17 8.354 3.076 0.657 1.00 0.73 C ATOM 0 H LEU A 17 11.242 0.847 1.836 1.00 0.31 H new ATOM 0 HA LEU A 17 9.114 0.698 -0.026 1.00 0.33 H new ATOM 0 HB2 LEU A 17 11.663 2.339 0.056 1.00 0.38 H new ATOM 0 HB3 LEU A 17 10.401 2.567 -1.139 1.00 0.38 H new ATOM 0 HG LEU A 17 10.107 2.914 1.861 1.00 0.46 H new ATOM 0 HD11 LEU A 17 9.783 5.290 1.294 1.00 0.92 H new ATOM 0 HD12 LEU A 17 11.385 4.704 0.787 1.00 0.92 H new ATOM 0 HD13 LEU A 17 10.093 4.919 -0.418 1.00 0.92 H new ATOM 0 HD21 LEU A 17 7.851 3.758 1.342 1.00 0.73 H new ATOM 0 HD22 LEU A 17 8.089 3.331 -0.369 1.00 0.73 H new ATOM 0 HD23 LEU A 17 8.042 2.053 0.869 1.00 0.73 H new ATOM 257 N GLN A 18 12.061 -0.374 -1.042 1.00 0.34 N ATOM 258 CA GLN A 18 12.713 -1.168 -2.078 1.00 0.39 C ATOM 259 C GLN A 18 12.055 -2.542 -2.186 1.00 0.33 C ATOM 260 O GLN A 18 11.898 -3.081 -3.280 1.00 0.34 O ATOM 261 CB GLN A 18 14.204 -1.328 -1.782 1.00 0.49 C ATOM 262 CG GLN A 18 14.973 -2.018 -2.900 1.00 1.07 C ATOM 263 CD GLN A 18 16.443 -2.208 -2.579 1.00 1.51 C ATOM 264 OE1 GLN A 18 16.755 -2.415 -1.310 1.00 2.06 O flip ATOM 265 NE2 GLN A 18 17.290 -2.186 -3.472 1.00 2.19 N flip ATOM 0 H GLN A 18 12.663 -0.120 -0.259 1.00 0.34 H new ATOM 0 HA GLN A 18 12.602 -0.644 -3.027 1.00 0.39 H new ATOM 0 HB2 GLN A 18 14.639 -0.344 -1.605 1.00 0.49 H new ATOM 0 HB3 GLN A 18 14.325 -1.900 -0.862 1.00 0.49 H new ATOM 0 HG2 GLN A 18 14.521 -2.990 -3.098 1.00 1.07 H new ATOM 0 HG3 GLN A 18 14.879 -1.431 -3.814 1.00 1.07 H new ATOM 0 HE21 GLN A 18 17.008 -2.023 -4.439 1.00 2.19 H new ATOM 0 HE22 GLN A 18 18.274 -2.331 -3.245 1.00 2.19 H new ATOM 274 N ALA A 19 11.654 -3.090 -1.043 1.00 0.29 N ATOM 275 CA ALA A 19 10.979 -4.379 -1.012 1.00 0.28 C ATOM 276 C ALA A 19 9.636 -4.297 -1.725 1.00 0.26 C ATOM 277 O ALA A 19 9.291 -5.173 -2.517 1.00 0.28 O ATOM 278 CB ALA A 19 10.794 -4.847 0.424 1.00 0.31 C ATOM 0 H ALA A 19 11.786 -2.660 -0.127 1.00 0.29 H new ATOM 0 HA ALA A 19 11.600 -5.106 -1.535 1.00 0.28 H new ATOM 0 HB1 ALA A 19 10.288 -5.812 0.430 1.00 0.31 H new ATOM 0 HB2 ALA A 19 11.768 -4.945 0.903 1.00 0.31 H new ATOM 0 HB3 ALA A 19 10.193 -4.119 0.969 1.00 0.31 H new ATOM 284 N LEU A 20 8.907 -3.211 -1.478 1.00 0.27 N ATOM 285 CA LEU A 20 7.584 -3.024 -2.060 1.00 0.32 C ATOM 286 C LEU A 20 7.690 -2.881 -3.575 1.00 0.33 C ATOM 287 O LEU A 20 6.827 -3.352 -4.323 1.00 0.36 O ATOM 288 CB LEU A 20 6.911 -1.785 -1.457 1.00 0.38 C ATOM 289 CG LEU A 20 5.520 -1.461 -2.007 1.00 0.58 C ATOM 290 CD1 LEU A 20 4.541 -2.580 -1.693 1.00 1.03 C ATOM 291 CD2 LEU A 20 5.019 -0.138 -1.447 1.00 0.95 C ATOM 0 H LEU A 20 9.213 -2.446 -0.877 1.00 0.27 H new ATOM 0 HA LEU A 20 6.975 -3.899 -1.833 1.00 0.32 H new ATOM 0 HB2 LEU A 20 6.834 -1.923 -0.379 1.00 0.38 H new ATOM 0 HB3 LEU A 20 7.558 -0.924 -1.623 1.00 0.38 H new ATOM 0 HG LEU A 20 5.595 -1.370 -3.091 1.00 0.58 H new ATOM 0 HD11 LEU A 20 3.559 -2.328 -2.094 1.00 1.03 H new ATOM 0 HD12 LEU A 20 4.891 -3.507 -2.147 1.00 1.03 H new ATOM 0 HD13 LEU A 20 4.470 -2.709 -0.613 1.00 1.03 H new ATOM 0 HD21 LEU A 20 4.029 0.076 -1.849 1.00 0.95 H new ATOM 0 HD22 LEU A 20 4.963 -0.201 -0.360 1.00 0.95 H new ATOM 0 HD23 LEU A 20 5.705 0.660 -1.730 1.00 0.95 H new ATOM 303 N ALA A 21 8.774 -2.245 -4.010 1.00 0.33 N ATOM 304 CA ALA A 21 9.014 -2.009 -5.424 1.00 0.39 C ATOM 305 C ALA A 21 9.141 -3.333 -6.166 1.00 0.38 C ATOM 306 O ALA A 21 8.553 -3.522 -7.226 1.00 0.44 O ATOM 307 CB ALA A 21 10.265 -1.168 -5.618 1.00 0.44 C ATOM 0 H ALA A 21 9.503 -1.883 -3.396 1.00 0.33 H new ATOM 0 HA ALA A 21 8.165 -1.461 -5.834 1.00 0.39 H new ATOM 0 HB1 ALA A 21 10.430 -1.001 -6.682 1.00 0.44 H new ATOM 0 HB2 ALA A 21 10.140 -0.209 -5.115 1.00 0.44 H new ATOM 0 HB3 ALA A 21 11.124 -1.690 -5.196 1.00 0.44 H new ATOM 313 N LYS A 22 9.908 -4.248 -5.583 1.00 0.36 N ATOM 314 CA LYS A 22 10.109 -5.573 -6.161 1.00 0.42 C ATOM 315 C LYS A 22 8.792 -6.340 -6.223 1.00 0.37 C ATOM 316 O LYS A 22 8.428 -6.886 -7.268 1.00 0.47 O ATOM 317 CB LYS A 22 11.112 -6.373 -5.328 1.00 0.53 C ATOM 318 CG LYS A 22 12.399 -5.627 -5.015 1.00 1.22 C ATOM 319 CD LYS A 22 13.199 -5.310 -6.267 1.00 1.84 C ATOM 320 CE LYS A 22 14.484 -4.578 -5.916 1.00 2.65 C ATOM 321 NZ LYS A 22 15.310 -4.286 -7.115 1.00 3.41 N ATOM 0 H LYS A 22 10.404 -4.095 -4.705 1.00 0.36 H new ATOM 0 HA LYS A 22 10.497 -5.441 -7.171 1.00 0.42 H new ATOM 0 HB2 LYS A 22 10.638 -6.665 -4.391 1.00 0.53 H new ATOM 0 HB3 LYS A 22 11.358 -7.292 -5.860 1.00 0.53 H new ATOM 0 HG2 LYS A 22 12.162 -4.700 -4.493 1.00 1.22 H new ATOM 0 HG3 LYS A 22 13.009 -6.226 -4.339 1.00 1.22 H new ATOM 0 HD2 LYS A 22 13.434 -6.233 -6.797 1.00 1.84 H new ATOM 0 HD3 LYS A 22 12.600 -4.699 -6.942 1.00 1.84 H new ATOM 0 HE2 LYS A 22 14.241 -3.644 -5.408 1.00 2.65 H new ATOM 0 HE3 LYS A 22 15.063 -5.180 -5.216 1.00 2.65 H new ATOM 0 HZ1 LYS A 22 16.176 -3.786 -6.827 1.00 3.41 H new ATOM 0 HZ2 LYS A 22 15.565 -5.177 -7.586 1.00 3.41 H new ATOM 0 HZ3 LYS A 22 14.769 -3.689 -7.773 1.00 3.41 H new ATOM 335 N GLN A 23 8.074 -6.345 -5.099 1.00 0.33 N ATOM 336 CA GLN A 23 6.857 -7.145 -4.938 1.00 0.39 C ATOM 337 C GLN A 23 5.781 -6.772 -5.957 1.00 0.40 C ATOM 338 O GLN A 23 5.007 -7.624 -6.395 1.00 0.49 O ATOM 339 CB GLN A 23 6.306 -6.978 -3.518 1.00 0.52 C ATOM 340 CG GLN A 23 7.298 -7.377 -2.436 1.00 0.76 C ATOM 341 CD GLN A 23 6.857 -6.970 -1.040 1.00 0.78 C ATOM 342 OE1 GLN A 23 6.115 -6.006 -0.865 1.00 1.52 O ATOM 343 NE2 GLN A 23 7.339 -7.687 -0.037 1.00 1.29 N ATOM 0 H GLN A 23 8.319 -5.796 -4.275 1.00 0.33 H new ATOM 0 HA GLN A 23 7.127 -8.187 -5.112 1.00 0.39 H new ATOM 0 HB2 GLN A 23 6.015 -5.938 -3.369 1.00 0.52 H new ATOM 0 HB3 GLN A 23 5.403 -7.580 -3.413 1.00 0.52 H new ATOM 0 HG2 GLN A 23 7.442 -8.457 -2.464 1.00 0.76 H new ATOM 0 HG3 GLN A 23 8.264 -6.921 -2.652 1.00 0.76 H new ATOM 0 HE21 GLN A 23 7.952 -8.480 -0.225 1.00 1.29 H new ATOM 0 HE22 GLN A 23 7.097 -7.446 0.924 1.00 1.29 H new ATOM 352 N THR A 24 5.733 -5.509 -6.349 1.00 0.38 N ATOM 353 CA THR A 24 4.699 -5.052 -7.267 1.00 0.47 C ATOM 354 C THR A 24 5.281 -4.699 -8.633 1.00 0.48 C ATOM 355 O THR A 24 4.549 -4.365 -9.571 1.00 0.76 O ATOM 356 CB THR A 24 3.958 -3.834 -6.694 1.00 0.54 C ATOM 357 OG1 THR A 24 4.906 -2.845 -6.270 1.00 0.62 O ATOM 358 CG2 THR A 24 3.071 -4.240 -5.522 1.00 0.62 C ATOM 0 H THR A 24 6.390 -4.788 -6.051 1.00 0.38 H new ATOM 0 HA THR A 24 3.994 -5.874 -7.392 1.00 0.47 H new ATOM 0 HB THR A 24 3.323 -3.417 -7.476 1.00 0.54 H new ATOM 0 HG1 THR A 24 5.392 -3.173 -5.485 1.00 0.62 H new ATOM 0 HG21 THR A 24 2.557 -3.361 -5.133 1.00 0.62 H new ATOM 0 HG22 THR A 24 2.336 -4.971 -5.858 1.00 0.62 H new ATOM 0 HG23 THR A 24 3.685 -4.678 -4.736 1.00 0.62 H new ATOM 366 N ASP A 25 6.606 -4.799 -8.728 1.00 0.41 N ATOM 367 CA ASP A 25 7.356 -4.490 -9.947 1.00 0.49 C ATOM 368 C ASP A 25 7.092 -3.053 -10.387 1.00 0.49 C ATOM 369 O ASP A 25 6.927 -2.765 -11.570 1.00 0.72 O ATOM 370 CB ASP A 25 7.003 -5.471 -11.071 1.00 0.68 C ATOM 371 CG ASP A 25 8.080 -5.541 -12.136 1.00 1.29 C ATOM 372 OD1 ASP A 25 9.020 -6.348 -11.977 1.00 1.57 O ATOM 373 OD2 ASP A 25 7.996 -4.805 -13.140 1.00 2.11 O ATOM 0 H ASP A 25 7.197 -5.100 -7.953 1.00 0.41 H new ATOM 0 HA ASP A 25 8.418 -4.595 -9.728 1.00 0.49 H new ATOM 0 HB2 ASP A 25 6.849 -6.464 -10.648 1.00 0.68 H new ATOM 0 HB3 ASP A 25 6.061 -5.170 -11.530 1.00 0.68 H new ATOM 378 N THR A 26 7.053 -2.156 -9.419 1.00 0.34 N ATOM 379 CA THR A 26 6.751 -0.759 -9.682 1.00 0.40 C ATOM 380 C THR A 26 8.000 0.107 -9.563 1.00 0.38 C ATOM 381 O THR A 26 9.077 -0.382 -9.215 1.00 0.40 O ATOM 382 CB THR A 26 5.679 -0.243 -8.703 1.00 0.46 C ATOM 383 OG1 THR A 26 6.024 -0.624 -7.364 1.00 0.76 O ATOM 384 CG2 THR A 26 4.304 -0.792 -9.060 1.00 0.72 C ATOM 0 H THR A 26 7.228 -2.371 -8.437 1.00 0.34 H new ATOM 0 HA THR A 26 6.373 -0.692 -10.702 1.00 0.40 H new ATOM 0 HB THR A 26 5.641 0.844 -8.775 1.00 0.46 H new ATOM 0 HG1 THR A 26 5.588 -1.473 -7.143 1.00 0.76 H new ATOM 0 HG21 THR A 26 3.566 -0.412 -8.353 1.00 0.72 H new ATOM 0 HG22 THR A 26 4.037 -0.476 -10.069 1.00 0.72 H new ATOM 0 HG23 THR A 26 4.324 -1.881 -9.014 1.00 0.72 H new ATOM 392 N GLN A 27 7.852 1.385 -9.882 1.00 0.41 N ATOM 393 CA GLN A 27 8.929 2.345 -9.716 1.00 0.44 C ATOM 394 C GLN A 27 8.617 3.293 -8.568 1.00 0.46 C ATOM 395 O GLN A 27 7.696 4.110 -8.650 1.00 0.47 O ATOM 396 CB GLN A 27 9.159 3.138 -11.007 1.00 0.50 C ATOM 397 CG GLN A 27 9.886 2.352 -12.086 1.00 1.05 C ATOM 398 CD GLN A 27 11.306 1.985 -11.688 1.00 1.67 C ATOM 399 OE1 GLN A 27 11.956 2.699 -10.921 1.00 2.39 O ATOM 400 NE2 GLN A 27 11.807 0.882 -12.222 1.00 2.31 N ATOM 0 H GLN A 27 6.991 1.781 -10.259 1.00 0.41 H new ATOM 0 HA GLN A 27 9.842 1.796 -9.485 1.00 0.44 H new ATOM 0 HB2 GLN A 27 8.196 3.468 -11.397 1.00 0.50 H new ATOM 0 HB3 GLN A 27 9.733 4.035 -10.774 1.00 0.50 H new ATOM 0 HG2 GLN A 27 9.328 1.442 -12.305 1.00 1.05 H new ATOM 0 HG3 GLN A 27 9.911 2.940 -13.004 1.00 1.05 H new ATOM 0 HE21 GLN A 27 11.238 0.317 -12.853 1.00 2.31 H new ATOM 0 HE22 GLN A 27 12.762 0.597 -12.003 1.00 2.31 H new ATOM 409 N LEU A 28 9.391 3.189 -7.502 1.00 0.51 N ATOM 410 CA LEU A 28 9.183 4.019 -6.330 1.00 0.55 C ATOM 411 C LEU A 28 10.302 5.042 -6.220 1.00 0.58 C ATOM 412 O LEU A 28 11.461 4.686 -6.007 1.00 0.71 O ATOM 413 CB LEU A 28 9.117 3.164 -5.060 1.00 0.69 C ATOM 414 CG LEU A 28 7.990 2.130 -5.017 1.00 0.78 C ATOM 415 CD1 LEU A 28 7.995 1.404 -3.686 1.00 1.51 C ATOM 416 CD2 LEU A 28 6.642 2.786 -5.252 1.00 1.30 C ATOM 0 H LEU A 28 10.171 2.536 -7.425 1.00 0.51 H new ATOM 0 HA LEU A 28 8.231 4.539 -6.436 1.00 0.55 H new ATOM 0 HB2 LEU A 28 10.068 2.644 -4.944 1.00 0.69 H new ATOM 0 HB3 LEU A 28 9.010 3.828 -4.202 1.00 0.69 H new ATOM 0 HG LEU A 28 8.160 1.407 -5.815 1.00 0.78 H new ATOM 0 HD11 LEU A 28 7.188 0.671 -3.668 1.00 1.51 H new ATOM 0 HD12 LEU A 28 8.950 0.896 -3.552 1.00 1.51 H new ATOM 0 HD13 LEU A 28 7.850 2.122 -2.879 1.00 1.51 H new ATOM 0 HD21 LEU A 28 5.858 2.029 -5.216 1.00 1.30 H new ATOM 0 HD22 LEU A 28 6.461 3.533 -4.479 1.00 1.30 H new ATOM 0 HD23 LEU A 28 6.637 3.268 -6.230 1.00 1.30 H new ATOM 428 N LEU A 29 9.952 6.305 -6.379 1.00 0.53 N ATOM 429 CA LEU A 29 10.923 7.380 -6.345 1.00 0.60 C ATOM 430 C LEU A 29 10.806 8.141 -5.041 1.00 0.63 C ATOM 431 O LEU A 29 9.758 8.709 -4.729 1.00 0.66 O ATOM 432 CB LEU A 29 10.736 8.335 -7.535 1.00 0.65 C ATOM 433 CG LEU A 29 11.268 7.835 -8.886 1.00 1.17 C ATOM 434 CD1 LEU A 29 12.729 7.426 -8.766 1.00 1.90 C ATOM 435 CD2 LEU A 29 10.426 6.686 -9.420 1.00 2.03 C ATOM 0 H LEU A 29 8.992 6.612 -6.534 1.00 0.53 H new ATOM 0 HA LEU A 29 11.919 6.942 -6.418 1.00 0.60 H new ATOM 0 HB2 LEU A 29 9.672 8.548 -7.642 1.00 0.65 H new ATOM 0 HB3 LEU A 29 11.228 9.279 -7.299 1.00 0.65 H new ATOM 0 HG LEU A 29 11.197 8.656 -9.600 1.00 1.17 H new ATOM 0 HD11 LEU A 29 13.089 7.074 -9.733 1.00 1.90 H new ATOM 0 HD12 LEU A 29 13.322 8.284 -8.448 1.00 1.90 H new ATOM 0 HD13 LEU A 29 12.824 6.627 -8.031 1.00 1.90 H new ATOM 0 HD21 LEU A 29 10.828 6.354 -10.377 1.00 2.03 H new ATOM 0 HD22 LEU A 29 10.448 5.858 -8.711 1.00 2.03 H new ATOM 0 HD23 LEU A 29 9.397 7.021 -9.555 1.00 2.03 H new ATOM 447 N TYR A 30 11.880 8.137 -4.279 1.00 0.65 N ATOM 448 CA TYR A 30 11.908 8.794 -2.987 1.00 0.72 C ATOM 449 C TYR A 30 13.304 9.315 -2.716 1.00 0.77 C ATOM 450 O TYR A 30 14.282 8.791 -3.250 1.00 0.82 O ATOM 451 CB TYR A 30 11.478 7.821 -1.877 1.00 0.72 C ATOM 452 CG TYR A 30 12.404 6.632 -1.703 1.00 0.69 C ATOM 453 CD1 TYR A 30 12.272 5.499 -2.499 1.00 0.65 C ATOM 454 CD2 TYR A 30 13.409 6.647 -0.742 1.00 0.80 C ATOM 455 CE1 TYR A 30 13.115 4.417 -2.342 1.00 0.71 C ATOM 456 CE2 TYR A 30 14.254 5.566 -0.579 1.00 0.88 C ATOM 457 CZ TYR A 30 14.104 4.456 -1.383 1.00 0.83 C ATOM 458 OH TYR A 30 14.949 3.382 -1.229 1.00 0.96 O ATOM 0 H TYR A 30 12.755 7.680 -4.536 1.00 0.65 H new ATOM 0 HA TYR A 30 11.207 9.629 -2.998 1.00 0.72 H new ATOM 0 HB2 TYR A 30 11.421 8.365 -0.934 1.00 0.72 H new ATOM 0 HB3 TYR A 30 10.474 7.457 -2.096 1.00 0.72 H new ATOM 0 HD1 TYR A 30 11.498 5.465 -3.252 1.00 0.65 H new ATOM 0 HD2 TYR A 30 13.531 7.517 -0.114 1.00 0.80 H new ATOM 0 HE1 TYR A 30 13.000 3.544 -2.968 1.00 0.71 H new ATOM 0 HE2 TYR A 30 15.028 5.590 0.174 1.00 0.88 H new ATOM 0 HH TYR A 30 15.590 3.570 -0.512 1.00 0.96 H new ATOM 468 N SER A 31 13.398 10.349 -1.906 1.00 0.85 N ATOM 469 CA SER A 31 14.686 10.899 -1.539 1.00 0.97 C ATOM 470 C SER A 31 15.109 10.357 -0.178 1.00 0.88 C ATOM 471 O SER A 31 14.571 10.763 0.853 1.00 0.85 O ATOM 472 CB SER A 31 14.609 12.430 -1.510 1.00 1.20 C ATOM 473 OG SER A 31 15.884 13.005 -1.280 1.00 1.78 O ATOM 0 H SER A 31 12.598 10.825 -1.489 1.00 0.85 H new ATOM 0 HA SER A 31 15.430 10.603 -2.278 1.00 0.97 H new ATOM 0 HB2 SER A 31 14.209 12.794 -2.456 1.00 1.20 H new ATOM 0 HB3 SER A 31 13.918 12.747 -0.729 1.00 1.20 H new ATOM 0 HG SER A 31 15.811 13.699 -0.591 1.00 1.78 H new ATOM 479 N PRO A 32 16.067 9.410 -0.161 1.00 0.96 N ATOM 480 CA PRO A 32 16.568 8.805 1.077 1.00 0.99 C ATOM 481 C PRO A 32 17.120 9.849 2.042 1.00 1.01 C ATOM 482 O PRO A 32 17.064 9.682 3.261 1.00 1.05 O ATOM 483 CB PRO A 32 17.686 7.862 0.610 1.00 1.23 C ATOM 484 CG PRO A 32 18.001 8.275 -0.789 1.00 1.37 C ATOM 485 CD PRO A 32 16.735 8.855 -1.350 1.00 1.12 C ATOM 0 HA PRO A 32 15.775 8.294 1.623 1.00 0.99 H new ATOM 0 HB2 PRO A 32 18.564 7.947 1.251 1.00 1.23 H new ATOM 0 HB3 PRO A 32 17.363 6.822 0.648 1.00 1.23 H new ATOM 0 HG2 PRO A 32 18.806 9.009 -0.806 1.00 1.37 H new ATOM 0 HG3 PRO A 32 18.334 7.422 -1.381 1.00 1.37 H new ATOM 0 HD2 PRO A 32 16.939 9.625 -2.094 1.00 1.12 H new ATOM 0 HD3 PRO A 32 16.125 8.095 -1.837 1.00 1.12 H new ATOM 493 N GLU A 33 17.646 10.928 1.485 1.00 1.09 N ATOM 494 CA GLU A 33 18.165 12.023 2.281 1.00 1.26 C ATOM 495 C GLU A 33 17.023 12.778 2.957 1.00 1.23 C ATOM 496 O GLU A 33 17.126 13.191 4.110 1.00 1.39 O ATOM 497 CB GLU A 33 18.978 12.971 1.397 1.00 1.48 C ATOM 498 CG GLU A 33 19.706 14.054 2.170 1.00 1.99 C ATOM 499 CD GLU A 33 20.630 13.481 3.218 1.00 2.43 C ATOM 500 OE1 GLU A 33 21.737 13.025 2.856 1.00 2.83 O ATOM 501 OE2 GLU A 33 20.250 13.472 4.410 1.00 2.96 O ATOM 0 H GLU A 33 17.724 11.067 0.478 1.00 1.09 H new ATOM 0 HA GLU A 33 18.816 11.617 3.055 1.00 1.26 H new ATOM 0 HB2 GLU A 33 19.706 12.390 0.830 1.00 1.48 H new ATOM 0 HB3 GLU A 33 18.311 13.440 0.673 1.00 1.48 H new ATOM 0 HG2 GLU A 33 20.281 14.669 1.477 1.00 1.99 H new ATOM 0 HG3 GLU A 33 18.978 14.709 2.648 1.00 1.99 H new ATOM 508 N ASP A 34 15.913 12.916 2.245 1.00 1.12 N ATOM 509 CA ASP A 34 14.807 13.749 2.704 1.00 1.23 C ATOM 510 C ASP A 34 13.853 13.001 3.626 1.00 1.17 C ATOM 511 O ASP A 34 12.882 13.581 4.108 1.00 1.38 O ATOM 512 CB ASP A 34 14.030 14.322 1.520 1.00 1.33 C ATOM 513 CG ASP A 34 14.723 15.514 0.892 1.00 1.71 C ATOM 514 OD1 ASP A 34 14.474 16.654 1.341 1.00 2.14 O ATOM 515 OD2 ASP A 34 15.522 15.317 -0.050 1.00 2.22 O ATOM 0 H ASP A 34 15.753 12.462 1.346 1.00 1.12 H new ATOM 0 HA ASP A 34 15.253 14.562 3.277 1.00 1.23 H new ATOM 0 HB2 ASP A 34 13.897 13.545 0.767 1.00 1.33 H new ATOM 0 HB3 ASP A 34 13.035 14.618 1.852 1.00 1.33 H new ATOM 520 N ILE A 35 14.112 11.720 3.871 1.00 0.97 N ATOM 521 CA ILE A 35 13.259 10.947 4.770 1.00 0.97 C ATOM 522 C ILE A 35 13.883 10.839 6.157 1.00 1.02 C ATOM 523 O ILE A 35 13.280 10.285 7.073 1.00 1.09 O ATOM 524 CB ILE A 35 12.967 9.525 4.230 1.00 0.88 C ATOM 525 CG1 ILE A 35 14.260 8.718 4.079 1.00 0.78 C ATOM 526 CG2 ILE A 35 12.227 9.605 2.902 1.00 0.95 C ATOM 527 CD1 ILE A 35 14.036 7.284 3.643 1.00 0.82 C ATOM 0 H ILE A 35 14.892 11.201 3.468 1.00 0.97 H new ATOM 0 HA ILE A 35 12.314 11.487 4.834 1.00 0.97 H new ATOM 0 HB ILE A 35 12.333 9.010 4.952 1.00 0.88 H new ATOM 0 HG12 ILE A 35 14.904 9.213 3.352 1.00 0.78 H new ATOM 0 HG13 ILE A 35 14.792 8.720 5.030 1.00 0.78 H new ATOM 0 HG21 ILE A 35 12.029 8.598 2.535 1.00 0.95 H new ATOM 0 HG22 ILE A 35 11.283 10.132 3.042 1.00 0.95 H new ATOM 0 HG23 ILE A 35 12.838 10.142 2.177 1.00 0.95 H new ATOM 0 HD11 ILE A 35 14.996 6.775 3.557 1.00 0.82 H new ATOM 0 HD12 ILE A 35 13.418 6.772 4.381 1.00 0.82 H new ATOM 0 HD13 ILE A 35 13.532 7.272 2.677 1.00 0.82 H new ATOM 539 N GLY A 36 15.102 11.353 6.295 1.00 1.08 N ATOM 540 CA GLY A 36 15.760 11.422 7.594 1.00 1.25 C ATOM 541 C GLY A 36 16.030 10.064 8.228 1.00 1.17 C ATOM 542 O GLY A 36 16.313 9.982 9.424 1.00 1.40 O ATOM 0 H GLY A 36 15.653 11.727 5.523 1.00 1.08 H new ATOM 0 HA2 GLY A 36 16.705 11.953 7.483 1.00 1.25 H new ATOM 0 HA3 GLY A 36 15.142 12.011 8.272 1.00 1.25 H new ATOM 546 N GLY A 37 15.949 9.004 7.434 1.00 0.97 N ATOM 547 CA GLY A 37 16.194 7.667 7.950 1.00 0.96 C ATOM 548 C GLY A 37 15.139 7.222 8.949 1.00 0.88 C ATOM 549 O GLY A 37 15.463 6.786 10.054 1.00 1.05 O ATOM 0 H GLY A 37 15.718 9.044 6.441 1.00 0.97 H new ATOM 0 HA2 GLY A 37 16.223 6.961 7.120 1.00 0.96 H new ATOM 0 HA3 GLY A 37 17.174 7.640 8.426 1.00 0.96 H new ATOM 553 N LEU A 38 13.877 7.332 8.560 1.00 0.77 N ATOM 554 CA LEU A 38 12.774 6.898 9.409 1.00 0.83 C ATOM 555 C LEU A 38 12.570 5.391 9.287 1.00 0.66 C ATOM 556 O LEU A 38 13.111 4.756 8.374 1.00 0.67 O ATOM 557 CB LEU A 38 11.479 7.622 9.015 1.00 1.06 C ATOM 558 CG LEU A 38 11.486 9.141 9.212 1.00 1.05 C ATOM 559 CD1 LEU A 38 10.171 9.744 8.741 1.00 1.72 C ATOM 560 CD2 LEU A 38 11.736 9.489 10.669 1.00 1.20 C ATOM 0 H LEU A 38 13.590 7.718 7.661 1.00 0.77 H new ATOM 0 HA LEU A 38 13.022 7.144 10.442 1.00 0.83 H new ATOM 0 HB2 LEU A 38 11.270 7.410 7.966 1.00 1.06 H new ATOM 0 HB3 LEU A 38 10.658 7.202 9.595 1.00 1.06 H new ATOM 0 HG LEU A 38 12.294 9.561 8.614 1.00 1.05 H new ATOM 0 HD11 LEU A 38 10.193 10.824 8.888 1.00 1.72 H new ATOM 0 HD12 LEU A 38 10.028 9.525 7.683 1.00 1.72 H new ATOM 0 HD13 LEU A 38 9.349 9.316 9.314 1.00 1.72 H new ATOM 0 HD21 LEU A 38 11.737 10.572 10.789 1.00 1.20 H new ATOM 0 HD22 LEU A 38 10.949 9.056 11.287 1.00 1.20 H new ATOM 0 HD23 LEU A 38 12.701 9.088 10.978 1.00 1.20 H new ATOM 572 N ARG A 39 11.812 4.820 10.212 1.00 0.68 N ATOM 573 CA ARG A 39 11.455 3.409 10.139 1.00 0.59 C ATOM 574 C ARG A 39 10.065 3.263 9.549 1.00 0.52 C ATOM 575 O ARG A 39 9.211 4.135 9.717 1.00 0.62 O ATOM 576 CB ARG A 39 11.506 2.730 11.512 1.00 0.66 C ATOM 577 CG ARG A 39 10.725 3.448 12.601 1.00 0.76 C ATOM 578 CD ARG A 39 10.545 2.561 13.820 1.00 1.12 C ATOM 579 NE ARG A 39 11.802 1.949 14.250 1.00 2.00 N ATOM 580 CZ ARG A 39 11.887 0.965 15.144 1.00 2.70 C ATOM 581 NH1 ARG A 39 10.799 0.537 15.779 1.00 2.71 N ATOM 582 NH2 ARG A 39 13.067 0.418 15.413 1.00 3.77 N ATOM 0 H ARG A 39 11.432 5.311 11.021 1.00 0.68 H new ATOM 0 HA ARG A 39 12.187 2.917 9.499 1.00 0.59 H new ATOM 0 HB2 ARG A 39 11.121 1.715 11.416 1.00 0.66 H new ATOM 0 HB3 ARG A 39 12.547 2.647 11.824 1.00 0.66 H new ATOM 0 HG2 ARG A 39 11.248 4.361 12.886 1.00 0.76 H new ATOM 0 HG3 ARG A 39 9.749 3.746 12.217 1.00 0.76 H new ATOM 0 HD2 ARG A 39 10.132 3.151 14.638 1.00 1.12 H new ATOM 0 HD3 ARG A 39 9.821 1.778 13.594 1.00 1.12 H new ATOM 0 HE ARG A 39 12.668 2.298 13.839 1.00 2.00 H new ATOM 0 HH11 ARG A 39 9.893 0.963 15.582 1.00 2.71 H new ATOM 0 HH12 ARG A 39 10.871 -0.217 16.462 1.00 2.71 H new ATOM 0 HH21 ARG A 39 13.904 0.752 14.936 1.00 3.77 H new ATOM 0 HH22 ARG A 39 13.136 -0.336 16.097 1.00 3.77 H new ATOM 596 N SER A 40 9.852 2.170 8.848 1.00 0.45 N ATOM 597 CA SER A 40 8.581 1.913 8.210 1.00 0.50 C ATOM 598 C SER A 40 7.628 1.167 9.133 1.00 0.49 C ATOM 599 O SER A 40 8.047 0.411 10.010 1.00 0.48 O ATOM 600 CB SER A 40 8.807 1.112 6.936 1.00 0.56 C ATOM 601 OG SER A 40 9.734 0.062 7.162 1.00 0.50 O ATOM 0 H SER A 40 10.550 1.440 8.705 1.00 0.45 H new ATOM 0 HA SER A 40 8.122 2.872 7.969 1.00 0.50 H new ATOM 0 HB2 SER A 40 7.860 0.699 6.587 1.00 0.56 H new ATOM 0 HB3 SER A 40 9.178 1.768 6.149 1.00 0.56 H new ATOM 0 HG SER A 40 9.248 -0.770 7.341 1.00 0.50 H new ATOM 607 N SER A 41 6.342 1.389 8.918 1.00 0.59 N ATOM 608 CA SER A 41 5.308 0.702 9.664 1.00 0.68 C ATOM 609 C SER A 41 4.978 -0.604 8.959 1.00 0.65 C ATOM 610 O SER A 41 4.599 -0.604 7.785 1.00 0.66 O ATOM 611 CB SER A 41 4.060 1.589 9.771 1.00 0.85 C ATOM 612 OG SER A 41 3.060 0.997 10.588 1.00 1.54 O ATOM 0 H SER A 41 5.989 2.048 8.224 1.00 0.59 H new ATOM 0 HA SER A 41 5.659 0.487 10.673 1.00 0.68 H new ATOM 0 HB2 SER A 41 4.338 2.559 10.183 1.00 0.85 H new ATOM 0 HB3 SER A 41 3.656 1.769 8.775 1.00 0.85 H new ATOM 0 HG SER A 41 2.282 1.591 10.634 1.00 1.54 H new ATOM 618 N ALA A 42 5.170 -1.711 9.667 1.00 0.69 N ATOM 619 CA ALA A 42 4.948 -3.036 9.103 1.00 0.72 C ATOM 620 C ALA A 42 3.509 -3.208 8.633 1.00 0.63 C ATOM 621 O ALA A 42 2.604 -3.436 9.438 1.00 0.66 O ATOM 622 CB ALA A 42 5.307 -4.106 10.121 1.00 0.84 C ATOM 0 H ALA A 42 5.481 -1.716 10.638 1.00 0.69 H new ATOM 0 HA ALA A 42 5.595 -3.144 8.232 1.00 0.72 H new ATOM 0 HB1 ALA A 42 5.137 -5.092 9.688 1.00 0.84 H new ATOM 0 HB2 ALA A 42 6.357 -4.007 10.398 1.00 0.84 H new ATOM 0 HB3 ALA A 42 4.685 -3.987 11.008 1.00 0.84 H new ATOM 628 N LEU A 43 3.303 -3.077 7.336 1.00 0.59 N ATOM 629 CA LEU A 43 1.995 -3.288 6.742 1.00 0.54 C ATOM 630 C LEU A 43 2.065 -4.456 5.772 1.00 0.45 C ATOM 631 O LEU A 43 2.254 -4.273 4.570 1.00 0.51 O ATOM 632 CB LEU A 43 1.522 -2.027 6.015 1.00 0.65 C ATOM 633 CG LEU A 43 0.086 -2.075 5.486 1.00 0.83 C ATOM 634 CD1 LEU A 43 -0.899 -2.192 6.638 1.00 1.42 C ATOM 635 CD2 LEU A 43 -0.216 -0.842 4.649 1.00 1.42 C ATOM 0 H LEU A 43 4.031 -2.823 6.668 1.00 0.59 H new ATOM 0 HA LEU A 43 1.279 -3.513 7.532 1.00 0.54 H new ATOM 0 HB2 LEU A 43 1.613 -1.180 6.695 1.00 0.65 H new ATOM 0 HB3 LEU A 43 2.194 -1.837 5.178 1.00 0.65 H new ATOM 0 HG LEU A 43 -0.019 -2.954 4.851 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -1.915 -2.225 6.246 1.00 1.42 H new ATOM 0 HD12 LEU A 43 -0.697 -3.105 7.199 1.00 1.42 H new ATOM 0 HD13 LEU A 43 -0.792 -1.330 7.297 1.00 1.42 H new ATOM 0 HD21 LEU A 43 -1.241 -0.894 4.282 1.00 1.42 H new ATOM 0 HD22 LEU A 43 -0.095 0.052 5.261 1.00 1.42 H new ATOM 0 HD23 LEU A 43 0.471 -0.799 3.804 1.00 1.42 H new ATOM 647 N LYS A 44 1.927 -5.658 6.295 1.00 0.43 N ATOM 648 CA LYS A 44 2.023 -6.847 5.473 1.00 0.43 C ATOM 649 C LYS A 44 0.708 -7.611 5.478 1.00 0.41 C ATOM 650 O LYS A 44 0.217 -8.035 6.525 1.00 0.50 O ATOM 651 CB LYS A 44 3.189 -7.730 5.935 1.00 0.61 C ATOM 652 CG LYS A 44 3.190 -8.050 7.417 1.00 0.88 C ATOM 653 CD LYS A 44 4.470 -8.760 7.810 1.00 1.15 C ATOM 654 CE LYS A 44 4.458 -9.179 9.266 1.00 1.77 C ATOM 655 NZ LYS A 44 5.726 -9.846 9.650 1.00 2.43 N ATOM 0 H LYS A 44 1.748 -5.837 7.283 1.00 0.43 H new ATOM 0 HA LYS A 44 2.224 -6.544 4.446 1.00 0.43 H new ATOM 0 HB2 LYS A 44 3.164 -8.665 5.375 1.00 0.61 H new ATOM 0 HB3 LYS A 44 4.126 -7.233 5.683 1.00 0.61 H new ATOM 0 HG2 LYS A 44 3.087 -7.130 7.993 1.00 0.88 H new ATOM 0 HG3 LYS A 44 2.331 -8.676 7.660 1.00 0.88 H new ATOM 0 HD2 LYS A 44 4.606 -9.639 7.180 1.00 1.15 H new ATOM 0 HD3 LYS A 44 5.320 -8.103 7.628 1.00 1.15 H new ATOM 0 HE2 LYS A 44 4.301 -8.304 9.896 1.00 1.77 H new ATOM 0 HE3 LYS A 44 3.622 -9.855 9.444 1.00 1.77 H new ATOM 0 HZ1 LYS A 44 5.684 -10.120 10.652 1.00 2.43 H new ATOM 0 HZ2 LYS A 44 5.863 -10.695 9.065 1.00 2.43 H new ATOM 0 HZ3 LYS A 44 6.521 -9.192 9.503 1.00 2.43 H new ATOM 669 N GLY A 45 0.133 -7.759 4.301 1.00 0.37 N ATOM 670 CA GLY A 45 -1.143 -8.421 4.165 1.00 0.37 C ATOM 671 C GLY A 45 -1.661 -8.326 2.752 1.00 0.33 C ATOM 672 O GLY A 45 -0.908 -7.991 1.840 1.00 0.34 O ATOM 0 H GLY A 45 0.534 -7.427 3.424 1.00 0.37 H new ATOM 0 HA2 GLY A 45 -1.044 -9.469 4.449 1.00 0.37 H new ATOM 0 HA3 GLY A 45 -1.863 -7.972 4.850 1.00 0.37 H new ATOM 676 N ARG A 46 -2.944 -8.589 2.566 1.00 0.35 N ATOM 677 CA ARG A 46 -3.537 -8.555 1.241 1.00 0.36 C ATOM 678 C ARG A 46 -4.344 -7.278 1.053 1.00 0.34 C ATOM 679 O ARG A 46 -5.403 -7.113 1.661 1.00 0.48 O ATOM 680 CB ARG A 46 -4.428 -9.774 1.008 1.00 0.49 C ATOM 681 CG ARG A 46 -5.138 -9.740 -0.336 1.00 0.97 C ATOM 682 CD ARG A 46 -6.022 -10.953 -0.538 1.00 1.13 C ATOM 683 NE ARG A 46 -6.740 -10.891 -1.811 1.00 1.77 N ATOM 684 CZ ARG A 46 -6.782 -11.890 -2.689 1.00 2.26 C ATOM 685 NH1 ARG A 46 -6.133 -13.019 -2.443 1.00 2.15 N ATOM 686 NH2 ARG A 46 -7.470 -11.760 -3.814 1.00 3.27 N ATOM 0 H ARG A 46 -3.593 -8.828 3.315 1.00 0.35 H new ATOM 0 HA ARG A 46 -2.728 -8.575 0.511 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -3.822 -10.678 1.070 1.00 0.49 H new ATOM 0 HB3 ARG A 46 -5.170 -9.833 1.804 1.00 0.49 H new ATOM 0 HG2 ARG A 46 -5.742 -8.835 -0.405 1.00 0.97 H new ATOM 0 HG3 ARG A 46 -4.399 -9.692 -1.136 1.00 0.97 H new ATOM 0 HD2 ARG A 46 -5.413 -11.857 -0.507 1.00 1.13 H new ATOM 0 HD3 ARG A 46 -6.738 -11.022 0.281 1.00 1.13 H new ATOM 0 HE ARG A 46 -7.238 -10.031 -2.039 1.00 1.77 H new ATOM 0 HH11 ARG A 46 -5.600 -13.123 -1.579 1.00 2.15 H new ATOM 0 HH12 ARG A 46 -6.166 -13.784 -3.117 1.00 2.15 H new ATOM 0 HH21 ARG A 46 -7.969 -10.892 -4.009 1.00 3.27 H new ATOM 0 HH22 ARG A 46 -7.500 -12.528 -4.485 1.00 3.27 H new ATOM 700 N HIS A 47 -3.836 -6.377 0.227 1.00 0.32 N ATOM 701 CA HIS A 47 -4.536 -5.136 -0.088 1.00 0.45 C ATOM 702 C HIS A 47 -4.123 -4.607 -1.455 1.00 0.43 C ATOM 703 O HIS A 47 -3.215 -5.145 -2.093 1.00 0.46 O ATOM 704 CB HIS A 47 -4.279 -4.058 0.976 1.00 0.68 C ATOM 705 CG HIS A 47 -5.153 -4.169 2.184 1.00 1.01 C ATOM 706 ND1 HIS A 47 -6.522 -4.028 2.133 1.00 1.79 N ATOM 707 CD2 HIS A 47 -4.850 -4.416 3.479 1.00 1.21 C ATOM 708 CE1 HIS A 47 -7.021 -4.176 3.344 1.00 1.98 C ATOM 709 NE2 HIS A 47 -6.028 -4.415 4.178 1.00 1.57 N ATOM 0 H HIS A 47 -2.936 -6.481 -0.241 1.00 0.32 H new ATOM 0 HA HIS A 47 -5.601 -5.366 -0.101 1.00 0.45 H new ATOM 0 HB2 HIS A 47 -3.236 -4.114 1.289 1.00 0.68 H new ATOM 0 HB3 HIS A 47 -4.424 -3.076 0.525 1.00 0.68 H new ATOM 0 HD2 HIS A 47 -3.864 -4.583 3.886 1.00 1.21 H new ATOM 0 HE1 HIS A 47 -8.066 -4.112 3.608 1.00 1.98 H new ATOM 0 HE2 HIS A 47 -6.122 -4.573 5.181 1.00 1.57 H new ATOM 718 N ASP A 48 -4.801 -3.555 -1.893 1.00 0.47 N ATOM 719 CA ASP A 48 -4.483 -2.894 -3.154 1.00 0.55 C ATOM 720 C ASP A 48 -3.281 -1.969 -2.972 1.00 0.48 C ATOM 721 O ASP A 48 -3.032 -1.492 -1.857 1.00 0.44 O ATOM 722 CB ASP A 48 -5.702 -2.104 -3.656 1.00 0.70 C ATOM 723 CG ASP A 48 -5.424 -1.309 -4.916 1.00 1.20 C ATOM 724 OD1 ASP A 48 -5.602 -1.864 -6.021 1.00 1.80 O ATOM 725 OD2 ASP A 48 -5.020 -0.130 -4.802 1.00 1.86 O ATOM 0 H ASP A 48 -5.583 -3.137 -1.389 1.00 0.47 H new ATOM 0 HA ASP A 48 -4.229 -3.649 -3.898 1.00 0.55 H new ATOM 0 HB2 ASP A 48 -6.522 -2.797 -3.845 1.00 0.70 H new ATOM 0 HB3 ASP A 48 -6.034 -1.424 -2.871 1.00 0.70 H new ATOM 730 N LEU A 49 -2.537 -1.720 -4.041 1.00 0.50 N ATOM 731 CA LEU A 49 -1.314 -0.928 -3.954 1.00 0.51 C ATOM 732 C LEU A 49 -1.586 0.463 -3.375 1.00 0.42 C ATOM 733 O LEU A 49 -0.922 0.889 -2.424 1.00 0.43 O ATOM 734 CB LEU A 49 -0.668 -0.803 -5.338 1.00 0.61 C ATOM 735 CG LEU A 49 0.651 -0.023 -5.382 1.00 0.73 C ATOM 736 CD1 LEU A 49 1.717 -0.713 -4.543 1.00 1.16 C ATOM 737 CD2 LEU A 49 1.121 0.140 -6.820 1.00 1.18 C ATOM 0 H LEU A 49 -2.757 -2.054 -4.979 1.00 0.50 H new ATOM 0 HA LEU A 49 -0.630 -1.444 -3.280 1.00 0.51 H new ATOM 0 HB2 LEU A 49 -0.491 -1.805 -5.729 1.00 0.61 H new ATOM 0 HB3 LEU A 49 -1.378 -0.320 -6.009 1.00 0.61 H new ATOM 0 HG LEU A 49 0.479 0.967 -4.959 1.00 0.73 H new ATOM 0 HD11 LEU A 49 2.644 -0.141 -4.590 1.00 1.16 H new ATOM 0 HD12 LEU A 49 1.381 -0.776 -3.508 1.00 1.16 H new ATOM 0 HD13 LEU A 49 1.891 -1.717 -4.930 1.00 1.16 H new ATOM 0 HD21 LEU A 49 2.059 0.696 -6.836 1.00 1.18 H new ATOM 0 HD22 LEU A 49 1.274 -0.843 -7.266 1.00 1.18 H new ATOM 0 HD23 LEU A 49 0.367 0.684 -7.390 1.00 1.18 H new ATOM 749 N GLN A 50 -2.576 1.151 -3.937 1.00 0.41 N ATOM 750 CA GLN A 50 -2.880 2.527 -3.557 1.00 0.42 C ATOM 751 C GLN A 50 -3.259 2.607 -2.076 1.00 0.39 C ATOM 752 O GLN A 50 -2.781 3.484 -1.352 1.00 0.41 O ATOM 753 CB GLN A 50 -4.006 3.068 -4.450 1.00 0.52 C ATOM 754 CG GLN A 50 -4.032 4.585 -4.591 1.00 1.21 C ATOM 755 CD GLN A 50 -4.576 5.299 -3.370 1.00 1.67 C ATOM 756 OE1 GLN A 50 -5.419 4.768 -2.648 1.00 2.15 O ATOM 757 NE2 GLN A 50 -4.107 6.513 -3.139 1.00 2.39 N ATOM 0 H GLN A 50 -3.186 0.774 -4.663 1.00 0.41 H new ATOM 0 HA GLN A 50 -1.993 3.145 -3.701 1.00 0.42 H new ATOM 0 HB2 GLN A 50 -3.909 2.626 -5.442 1.00 0.52 H new ATOM 0 HB3 GLN A 50 -4.963 2.738 -4.046 1.00 0.52 H new ATOM 0 HG2 GLN A 50 -3.021 4.940 -4.789 1.00 1.21 H new ATOM 0 HG3 GLN A 50 -4.638 4.851 -5.457 1.00 1.21 H new ATOM 0 HE21 GLN A 50 -3.408 6.917 -3.763 1.00 2.39 H new ATOM 0 HE22 GLN A 50 -4.444 7.046 -2.337 1.00 2.39 H new ATOM 766 N SER A 51 -4.102 1.681 -1.630 1.00 0.41 N ATOM 767 CA SER A 51 -4.506 1.626 -0.227 1.00 0.46 C ATOM 768 C SER A 51 -3.308 1.407 0.694 1.00 0.41 C ATOM 769 O SER A 51 -3.227 1.996 1.772 1.00 0.43 O ATOM 770 CB SER A 51 -5.545 0.528 -0.018 1.00 0.57 C ATOM 771 OG SER A 51 -5.378 -0.529 -0.952 1.00 1.33 O ATOM 0 H SER A 51 -4.519 0.959 -2.218 1.00 0.41 H new ATOM 0 HA SER A 51 -4.949 2.588 0.030 1.00 0.46 H new ATOM 0 HB2 SER A 51 -5.463 0.136 0.996 1.00 0.57 H new ATOM 0 HB3 SER A 51 -6.546 0.948 -0.117 1.00 0.57 H new ATOM 0 HG SER A 51 -4.433 -0.786 -0.990 1.00 1.33 H new ATOM 777 N SER A 52 -2.381 0.561 0.262 1.00 0.40 N ATOM 778 CA SER A 52 -1.164 0.302 1.022 1.00 0.43 C ATOM 779 C SER A 52 -0.369 1.597 1.199 1.00 0.41 C ATOM 780 O SER A 52 0.016 1.955 2.313 1.00 0.45 O ATOM 781 CB SER A 52 -0.312 -0.756 0.312 1.00 0.49 C ATOM 782 OG SER A 52 0.820 -1.112 1.084 1.00 1.21 O ATOM 0 H SER A 52 -2.449 0.041 -0.613 1.00 0.40 H new ATOM 0 HA SER A 52 -1.437 -0.077 2.007 1.00 0.43 H new ATOM 0 HB2 SER A 52 -0.916 -1.643 0.120 1.00 0.49 H new ATOM 0 HB3 SER A 52 0.012 -0.375 -0.656 1.00 0.49 H new ATOM 0 HG SER A 52 1.494 -1.525 0.505 1.00 1.21 H new ATOM 788 N LEU A 53 -0.158 2.311 0.094 1.00 0.39 N ATOM 789 CA LEU A 53 0.561 3.581 0.118 1.00 0.41 C ATOM 790 C LEU A 53 -0.148 4.578 1.030 1.00 0.40 C ATOM 791 O LEU A 53 0.489 5.319 1.777 1.00 0.46 O ATOM 792 CB LEU A 53 0.657 4.158 -1.298 1.00 0.44 C ATOM 793 CG LEU A 53 1.387 3.277 -2.315 1.00 0.51 C ATOM 794 CD1 LEU A 53 1.262 3.863 -3.713 1.00 0.70 C ATOM 795 CD2 LEU A 53 2.851 3.121 -1.936 1.00 0.56 C ATOM 0 H LEU A 53 -0.477 2.028 -0.833 1.00 0.39 H new ATOM 0 HA LEU A 53 1.565 3.402 0.503 1.00 0.41 H new ATOM 0 HB2 LEU A 53 -0.352 4.348 -1.664 1.00 0.44 H new ATOM 0 HB3 LEU A 53 1.164 5.122 -1.246 1.00 0.44 H new ATOM 0 HG LEU A 53 0.923 2.291 -2.309 1.00 0.51 H new ATOM 0 HD11 LEU A 53 1.787 3.224 -4.424 1.00 0.70 H new ATOM 0 HD12 LEU A 53 0.209 3.925 -3.989 1.00 0.70 H new ATOM 0 HD13 LEU A 53 1.700 4.861 -3.730 1.00 0.70 H new ATOM 0 HD21 LEU A 53 3.352 2.491 -2.671 1.00 0.56 H new ATOM 0 HD22 LEU A 53 3.327 4.101 -1.913 1.00 0.56 H new ATOM 0 HD23 LEU A 53 2.925 2.658 -0.952 1.00 0.56 H new ATOM 807 N ARG A 54 -1.469 4.572 0.963 1.00 0.38 N ATOM 808 CA ARG A 54 -2.295 5.466 1.765 1.00 0.43 C ATOM 809 C ARG A 54 -2.015 5.278 3.255 1.00 0.42 C ATOM 810 O ARG A 54 -1.827 6.248 3.987 1.00 0.48 O ATOM 811 CB ARG A 54 -3.769 5.186 1.473 1.00 0.51 C ATOM 812 CG ARG A 54 -4.729 6.228 2.025 1.00 1.10 C ATOM 813 CD ARG A 54 -6.175 5.797 1.823 1.00 1.31 C ATOM 814 NE ARG A 54 -6.415 5.301 0.467 1.00 1.87 N ATOM 815 CZ ARG A 54 -7.360 4.411 0.153 1.00 2.48 C ATOM 816 NH1 ARG A 54 -8.234 4.007 1.067 1.00 2.70 N ATOM 817 NH2 ARG A 54 -7.443 3.942 -1.087 1.00 3.38 N ATOM 0 H ARG A 54 -2.000 3.950 0.354 1.00 0.38 H new ATOM 0 HA ARG A 54 -2.055 6.496 1.503 1.00 0.43 H new ATOM 0 HB2 ARG A 54 -3.906 5.119 0.394 1.00 0.51 H new ATOM 0 HB3 ARG A 54 -4.030 4.213 1.889 1.00 0.51 H new ATOM 0 HG2 ARG A 54 -4.536 6.380 3.087 1.00 1.10 H new ATOM 0 HG3 ARG A 54 -4.558 7.184 1.530 1.00 1.10 H new ATOM 0 HD2 ARG A 54 -6.425 5.018 2.543 1.00 1.31 H new ATOM 0 HD3 ARG A 54 -6.836 6.640 2.023 1.00 1.31 H new ATOM 0 HE ARG A 54 -5.824 5.657 -0.284 1.00 1.87 H new ATOM 0 HH11 ARG A 54 -8.187 4.377 2.016 1.00 2.70 H new ATOM 0 HH12 ARG A 54 -8.953 3.327 0.820 1.00 2.70 H new ATOM 0 HH21 ARG A 54 -6.785 4.262 -1.798 1.00 3.38 H new ATOM 0 HH22 ARG A 54 -8.164 3.262 -1.328 1.00 3.38 H new ATOM 831 N ILE A 55 -1.974 4.024 3.686 1.00 0.42 N ATOM 832 CA ILE A 55 -1.803 3.698 5.099 1.00 0.47 C ATOM 833 C ILE A 55 -0.350 3.882 5.544 1.00 0.49 C ATOM 834 O ILE A 55 -0.084 4.398 6.630 1.00 0.59 O ATOM 835 CB ILE A 55 -2.239 2.246 5.391 1.00 0.56 C ATOM 836 CG1 ILE A 55 -3.687 2.027 4.948 1.00 0.59 C ATOM 837 CG2 ILE A 55 -2.081 1.923 6.873 1.00 0.66 C ATOM 838 CD1 ILE A 55 -4.156 0.592 5.084 1.00 1.24 C ATOM 0 H ILE A 55 -2.057 3.211 3.075 1.00 0.42 H new ATOM 0 HA ILE A 55 -2.436 4.385 5.661 1.00 0.47 H new ATOM 0 HB ILE A 55 -1.595 1.573 4.824 1.00 0.56 H new ATOM 0 HG12 ILE A 55 -4.339 2.671 5.538 1.00 0.59 H new ATOM 0 HG13 ILE A 55 -3.790 2.337 3.908 1.00 0.59 H new ATOM 0 HG21 ILE A 55 -2.394 0.895 7.057 1.00 0.66 H new ATOM 0 HG22 ILE A 55 -1.037 2.042 7.162 1.00 0.66 H new ATOM 0 HG23 ILE A 55 -2.699 2.601 7.461 1.00 0.66 H new ATOM 0 HD11 ILE A 55 -5.191 0.514 4.751 1.00 1.24 H new ATOM 0 HD12 ILE A 55 -3.528 -0.055 4.472 1.00 1.24 H new ATOM 0 HD13 ILE A 55 -4.086 0.284 6.127 1.00 1.24 H new ATOM 850 N LEU A 56 0.581 3.466 4.694 1.00 0.45 N ATOM 851 CA LEU A 56 1.999 3.483 5.036 1.00 0.52 C ATOM 852 C LEU A 56 2.533 4.916 5.116 1.00 0.53 C ATOM 853 O LEU A 56 3.262 5.262 6.049 1.00 0.65 O ATOM 854 CB LEU A 56 2.788 2.659 4.002 1.00 0.57 C ATOM 855 CG LEU A 56 4.221 2.261 4.395 1.00 0.75 C ATOM 856 CD1 LEU A 56 4.680 1.072 3.564 1.00 1.04 C ATOM 857 CD2 LEU A 56 5.191 3.420 4.206 1.00 1.63 C ATOM 0 H LEU A 56 0.379 3.111 3.759 1.00 0.45 H new ATOM 0 HA LEU A 56 2.127 3.034 6.021 1.00 0.52 H new ATOM 0 HB2 LEU A 56 2.227 1.749 3.790 1.00 0.57 H new ATOM 0 HB3 LEU A 56 2.834 3.229 3.074 1.00 0.57 H new ATOM 0 HG LEU A 56 4.213 1.989 5.451 1.00 0.75 H new ATOM 0 HD11 LEU A 56 5.696 0.798 3.850 1.00 1.04 H new ATOM 0 HD12 LEU A 56 4.014 0.227 3.739 1.00 1.04 H new ATOM 0 HD13 LEU A 56 4.660 1.337 2.507 1.00 1.04 H new ATOM 0 HD21 LEU A 56 6.194 3.105 4.493 1.00 1.63 H new ATOM 0 HD22 LEU A 56 5.192 3.727 3.160 1.00 1.63 H new ATOM 0 HD23 LEU A 56 4.882 4.259 4.830 1.00 1.63 H new ATOM 869 N LEU A 57 2.154 5.748 4.155 1.00 0.51 N ATOM 870 CA LEU A 57 2.700 7.098 4.056 1.00 0.63 C ATOM 871 C LEU A 57 2.155 8.030 5.137 1.00 0.72 C ATOM 872 O LEU A 57 2.925 8.763 5.759 1.00 1.16 O ATOM 873 CB LEU A 57 2.433 7.699 2.669 1.00 0.80 C ATOM 874 CG LEU A 57 3.489 7.400 1.591 1.00 1.29 C ATOM 875 CD1 LEU A 57 4.836 7.995 1.974 1.00 1.68 C ATOM 876 CD2 LEU A 57 3.623 5.903 1.347 1.00 2.17 C ATOM 0 H LEU A 57 1.472 5.514 3.433 1.00 0.51 H new ATOM 0 HA LEU A 57 3.775 7.007 4.208 1.00 0.63 H new ATOM 0 HB2 LEU A 57 1.469 7.334 2.316 1.00 0.80 H new ATOM 0 HB3 LEU A 57 2.346 8.780 2.774 1.00 0.80 H new ATOM 0 HG LEU A 57 3.153 7.865 0.664 1.00 1.29 H new ATOM 0 HD11 LEU A 57 5.567 7.771 1.197 1.00 1.68 H new ATOM 0 HD12 LEU A 57 4.739 9.075 2.081 1.00 1.68 H new ATOM 0 HD13 LEU A 57 5.168 7.565 2.919 1.00 1.68 H new ATOM 0 HD21 LEU A 57 4.377 5.725 0.580 1.00 2.17 H new ATOM 0 HD22 LEU A 57 3.922 5.409 2.271 1.00 2.17 H new ATOM 0 HD23 LEU A 57 2.666 5.501 1.015 1.00 2.17 H new ATOM 888 N GLN A 58 0.836 8.021 5.339 1.00 0.61 N ATOM 889 CA GLN A 58 0.202 8.920 6.305 1.00 0.79 C ATOM 890 C GLN A 58 0.900 8.866 7.666 1.00 1.05 C ATOM 891 O GLN A 58 0.970 7.819 8.312 1.00 2.03 O ATOM 892 CB GLN A 58 -1.294 8.605 6.453 1.00 0.90 C ATOM 893 CG GLN A 58 -1.591 7.217 7.000 1.00 1.29 C ATOM 894 CD GLN A 58 -3.076 6.949 7.135 1.00 1.60 C ATOM 895 OE1 GLN A 58 -3.680 7.226 8.173 1.00 2.30 O ATOM 896 NE2 GLN A 58 -3.677 6.414 6.086 1.00 1.85 N ATOM 0 H GLN A 58 0.188 7.404 4.849 1.00 0.61 H new ATOM 0 HA GLN A 58 0.303 9.934 5.918 1.00 0.79 H new ATOM 0 HB2 GLN A 58 -1.746 9.347 7.112 1.00 0.90 H new ATOM 0 HB3 GLN A 58 -1.773 8.709 5.480 1.00 0.90 H new ATOM 0 HG2 GLN A 58 -1.149 6.469 6.342 1.00 1.29 H new ATOM 0 HG3 GLN A 58 -1.115 7.105 7.974 1.00 1.29 H new ATOM 0 HE21 GLN A 58 -3.141 6.200 5.245 1.00 1.85 H new ATOM 0 HE22 GLN A 58 -4.677 6.216 6.117 1.00 1.85 H new ATOM 905 N GLY A 59 1.446 10.001 8.075 1.00 0.97 N ATOM 906 CA GLY A 59 2.122 10.083 9.352 1.00 1.28 C ATOM 907 C GLY A 59 3.581 10.458 9.205 1.00 1.13 C ATOM 908 O GLY A 59 4.236 10.839 10.176 1.00 1.42 O ATOM 0 H GLY A 59 1.433 10.871 7.542 1.00 0.97 H new ATOM 0 HA2 GLY A 59 1.621 10.820 9.979 1.00 1.28 H new ATOM 0 HA3 GLY A 59 2.045 9.124 9.864 1.00 1.28 H new ATOM 912 N THR A 60 4.097 10.354 7.989 1.00 0.95 N ATOM 913 CA THR A 60 5.492 10.683 7.732 1.00 0.99 C ATOM 914 C THR A 60 5.665 12.154 7.365 1.00 1.06 C ATOM 915 O THR A 60 6.787 12.656 7.292 1.00 1.25 O ATOM 916 CB THR A 60 6.071 9.814 6.598 1.00 1.04 C ATOM 917 OG1 THR A 60 5.267 9.946 5.420 1.00 0.99 O ATOM 918 CG2 THR A 60 6.139 8.350 7.011 1.00 1.21 C ATOM 0 H THR A 60 3.575 10.046 7.169 1.00 0.95 H new ATOM 0 HA THR A 60 6.034 10.482 8.656 1.00 0.99 H new ATOM 0 HB THR A 60 7.083 10.161 6.389 1.00 1.04 H new ATOM 0 HG1 THR A 60 4.566 9.261 5.424 1.00 0.99 H new ATOM 0 HG21 THR A 60 6.551 7.760 6.192 1.00 1.21 H new ATOM 0 HG22 THR A 60 6.777 8.249 7.889 1.00 1.21 H new ATOM 0 HG23 THR A 60 5.137 7.992 7.248 1.00 1.21 H new ATOM 926 N GLY A 61 4.552 12.849 7.158 1.00 1.08 N ATOM 927 CA GLY A 61 4.616 14.243 6.762 1.00 1.32 C ATOM 928 C GLY A 61 4.893 14.418 5.282 1.00 1.26 C ATOM 929 O GLY A 61 5.027 15.541 4.794 1.00 1.35 O ATOM 0 H GLY A 61 3.609 12.473 7.257 1.00 1.08 H new ATOM 0 HA2 GLY A 61 3.674 14.731 7.011 1.00 1.32 H new ATOM 0 HA3 GLY A 61 5.396 14.744 7.335 1.00 1.32 H new ATOM 933 N LEU A 62 4.974 13.311 4.566 1.00 1.16 N ATOM 934 CA LEU A 62 5.291 13.342 3.150 1.00 1.11 C ATOM 935 C LEU A 62 4.032 13.144 2.318 1.00 1.07 C ATOM 936 O LEU A 62 2.994 12.718 2.834 1.00 1.14 O ATOM 937 CB LEU A 62 6.318 12.255 2.824 1.00 1.10 C ATOM 938 CG LEU A 62 7.649 12.377 3.570 1.00 1.19 C ATOM 939 CD1 LEU A 62 8.543 11.183 3.268 1.00 1.23 C ATOM 940 CD2 LEU A 62 8.350 13.675 3.195 1.00 1.28 C ATOM 0 H LEU A 62 4.824 12.376 4.944 1.00 1.16 H new ATOM 0 HA LEU A 62 5.715 14.316 2.906 1.00 1.11 H new ATOM 0 HB2 LEU A 62 5.880 11.283 3.050 1.00 1.10 H new ATOM 0 HB3 LEU A 62 6.516 12.274 1.752 1.00 1.10 H new ATOM 0 HG LEU A 62 7.444 12.390 4.640 1.00 1.19 H new ATOM 0 HD11 LEU A 62 9.484 11.288 3.807 1.00 1.23 H new ATOM 0 HD12 LEU A 62 8.044 10.266 3.583 1.00 1.23 H new ATOM 0 HD13 LEU A 62 8.741 11.139 2.197 1.00 1.23 H new ATOM 0 HD21 LEU A 62 9.295 13.747 3.734 1.00 1.28 H new ATOM 0 HD22 LEU A 62 8.542 13.688 2.122 1.00 1.28 H new ATOM 0 HD23 LEU A 62 7.716 14.521 3.460 1.00 1.28 H new ATOM 952 N ARG A 63 4.125 13.461 1.036 1.00 1.01 N ATOM 953 CA ARG A 63 3.003 13.319 0.124 1.00 1.03 C ATOM 954 C ARG A 63 3.334 12.297 -0.952 1.00 0.92 C ATOM 955 O ARG A 63 4.408 12.344 -1.556 1.00 0.87 O ATOM 956 CB ARG A 63 2.663 14.661 -0.530 1.00 1.15 C ATOM 957 CG ARG A 63 2.363 15.769 0.465 1.00 1.51 C ATOM 958 CD ARG A 63 2.028 17.068 -0.247 1.00 1.78 C ATOM 959 NE ARG A 63 1.864 18.185 0.681 1.00 2.51 N ATOM 960 CZ ARG A 63 1.454 19.400 0.319 1.00 3.28 C ATOM 961 NH1 ARG A 63 1.103 19.640 -0.940 1.00 3.53 N ATOM 962 NH2 ARG A 63 1.372 20.369 1.221 1.00 4.21 N ATOM 0 H ARG A 63 4.975 13.821 0.602 1.00 1.01 H new ATOM 0 HA ARG A 63 2.139 12.979 0.695 1.00 1.03 H new ATOM 0 HB2 ARG A 63 3.497 14.968 -1.162 1.00 1.15 H new ATOM 0 HB3 ARG A 63 1.800 14.528 -1.183 1.00 1.15 H new ATOM 0 HG2 ARG A 63 1.529 15.474 1.102 1.00 1.51 H new ATOM 0 HG3 ARG A 63 3.224 15.919 1.117 1.00 1.51 H new ATOM 0 HD2 ARG A 63 2.819 17.304 -0.959 1.00 1.78 H new ATOM 0 HD3 ARG A 63 1.111 16.938 -0.821 1.00 1.78 H new ATOM 0 HE ARG A 63 2.076 18.025 1.666 1.00 2.51 H new ATOM 0 HH11 ARG A 63 1.147 18.893 -1.633 1.00 3.53 H new ATOM 0 HH12 ARG A 63 0.790 20.571 -1.213 1.00 3.53 H new ATOM 0 HH21 ARG A 63 1.623 20.184 2.192 1.00 4.21 H new ATOM 0 HH22 ARG A 63 1.058 21.299 0.943 1.00 4.21 H new ATOM 976 N TYR A 64 2.414 11.376 -1.185 1.00 0.96 N ATOM 977 CA TYR A 64 2.615 10.357 -2.200 1.00 0.91 C ATOM 978 C TYR A 64 1.865 10.712 -3.480 1.00 0.89 C ATOM 979 O TYR A 64 0.643 10.864 -3.483 1.00 0.94 O ATOM 980 CB TYR A 64 2.210 8.962 -1.688 1.00 0.92 C ATOM 981 CG TYR A 64 0.797 8.864 -1.137 1.00 0.97 C ATOM 982 CD1 TYR A 64 0.512 9.249 0.166 1.00 1.02 C ATOM 983 CD2 TYR A 64 -0.246 8.381 -1.919 1.00 1.06 C ATOM 984 CE1 TYR A 64 -0.767 9.155 0.676 1.00 1.14 C ATOM 985 CE2 TYR A 64 -1.529 8.285 -1.416 1.00 1.18 C ATOM 986 CZ TYR A 64 -1.783 8.676 -0.121 1.00 1.20 C ATOM 987 OH TYR A 64 -3.061 8.582 0.380 1.00 1.37 O ATOM 0 H TYR A 64 1.526 11.313 -0.688 1.00 0.96 H new ATOM 0 HA TYR A 64 3.680 10.323 -2.429 1.00 0.91 H new ATOM 0 HB2 TYR A 64 2.316 8.247 -2.504 1.00 0.92 H new ATOM 0 HB3 TYR A 64 2.909 8.661 -0.908 1.00 0.92 H new ATOM 0 HD1 TYR A 64 1.306 9.629 0.792 1.00 1.02 H new ATOM 0 HD2 TYR A 64 -0.050 8.076 -2.936 1.00 1.06 H new ATOM 0 HE1 TYR A 64 -0.970 9.455 1.693 1.00 1.14 H new ATOM 0 HE2 TYR A 64 -2.328 7.905 -2.035 1.00 1.18 H new ATOM 0 HH TYR A 64 -3.658 8.226 -0.311 1.00 1.37 H new ATOM 997 N GLN A 65 2.618 10.889 -4.554 1.00 0.90 N ATOM 998 CA GLN A 65 2.038 11.165 -5.859 1.00 0.93 C ATOM 999 C GLN A 65 2.198 9.949 -6.763 1.00 0.87 C ATOM 1000 O GLN A 65 3.273 9.351 -6.821 1.00 0.86 O ATOM 1001 CB GLN A 65 2.711 12.388 -6.490 1.00 1.03 C ATOM 1002 CG GLN A 65 2.059 12.856 -7.782 1.00 1.59 C ATOM 1003 CD GLN A 65 0.604 13.237 -7.592 1.00 2.07 C ATOM 1004 OE1 GLN A 65 -0.297 12.414 -7.755 1.00 2.64 O ATOM 1005 NE2 GLN A 65 0.368 14.486 -7.233 1.00 2.63 N ATOM 0 H GLN A 65 3.637 10.846 -4.547 1.00 0.90 H new ATOM 0 HA GLN A 65 0.976 11.378 -5.737 1.00 0.93 H new ATOM 0 HB2 GLN A 65 2.699 13.208 -5.771 1.00 1.03 H new ATOM 0 HB3 GLN A 65 3.757 12.153 -6.687 1.00 1.03 H new ATOM 0 HG2 GLN A 65 2.608 13.713 -8.173 1.00 1.59 H new ATOM 0 HG3 GLN A 65 2.130 12.065 -8.528 1.00 1.59 H new ATOM 0 HE21 GLN A 65 1.144 15.136 -7.109 1.00 2.63 H new ATOM 0 HE22 GLN A 65 -0.590 14.800 -7.080 1.00 2.63 H new ATOM 1014 N ILE A 66 1.132 9.580 -7.458 1.00 0.88 N ATOM 1015 CA ILE A 66 1.157 8.409 -8.319 1.00 0.86 C ATOM 1016 C ILE A 66 1.011 8.805 -9.790 1.00 0.98 C ATOM 1017 O ILE A 66 0.135 9.589 -10.157 1.00 1.11 O ATOM 1018 CB ILE A 66 0.060 7.389 -7.920 1.00 0.92 C ATOM 1019 CG1 ILE A 66 0.135 6.143 -8.810 1.00 1.02 C ATOM 1020 CG2 ILE A 66 -1.328 8.020 -7.985 1.00 1.28 C ATOM 1021 CD1 ILE A 66 -0.871 5.072 -8.447 1.00 1.13 C ATOM 0 H ILE A 66 0.240 10.075 -7.442 1.00 0.88 H new ATOM 0 HA ILE A 66 2.127 7.929 -8.187 1.00 0.86 H new ATOM 0 HB ILE A 66 0.239 7.086 -6.888 1.00 0.92 H new ATOM 0 HG12 ILE A 66 -0.022 6.439 -9.847 1.00 1.02 H new ATOM 0 HG13 ILE A 66 1.139 5.722 -8.746 1.00 1.02 H new ATOM 0 HG21 ILE A 66 -2.077 7.281 -7.700 1.00 1.28 H new ATOM 0 HG22 ILE A 66 -1.375 8.867 -7.301 1.00 1.28 H new ATOM 0 HG23 ILE A 66 -1.525 8.363 -9.001 1.00 1.28 H new ATOM 0 HD11 ILE A 66 -0.757 4.222 -9.120 1.00 1.13 H new ATOM 0 HD12 ILE A 66 -0.702 4.747 -7.420 1.00 1.13 H new ATOM 0 HD13 ILE A 66 -1.880 5.474 -8.538 1.00 1.13 H new ATOM 1033 N ASP A 67 1.895 8.270 -10.615 1.00 1.04 N ATOM 1034 CA ASP A 67 1.883 8.523 -12.049 1.00 1.25 C ATOM 1035 C ASP A 67 2.012 7.208 -12.810 1.00 1.20 C ATOM 1036 O ASP A 67 3.114 6.678 -12.975 1.00 1.13 O ATOM 1037 CB ASP A 67 3.025 9.475 -12.423 1.00 1.45 C ATOM 1038 CG ASP A 67 3.228 9.602 -13.921 1.00 1.82 C ATOM 1039 OD1 ASP A 67 2.243 9.885 -14.633 1.00 2.28 O ATOM 1040 OD2 ASP A 67 4.365 9.406 -14.395 1.00 2.29 O ATOM 0 H ASP A 67 2.643 7.647 -10.311 1.00 1.04 H new ATOM 0 HA ASP A 67 0.937 8.992 -12.322 1.00 1.25 H new ATOM 0 HB2 ASP A 67 2.820 10.461 -12.005 1.00 1.45 H new ATOM 0 HB3 ASP A 67 3.949 9.121 -11.966 1.00 1.45 H new ATOM 1045 N GLY A 68 0.881 6.684 -13.262 1.00 1.28 N ATOM 1046 CA GLY A 68 0.868 5.391 -13.923 1.00 1.30 C ATOM 1047 C GLY A 68 1.260 4.263 -12.984 1.00 1.14 C ATOM 1048 O GLY A 68 0.440 3.776 -12.212 1.00 1.18 O ATOM 0 H GLY A 68 -0.032 7.132 -13.183 1.00 1.28 H new ATOM 0 HA2 GLY A 68 -0.128 5.199 -14.323 1.00 1.30 H new ATOM 0 HA3 GLY A 68 1.553 5.411 -14.770 1.00 1.30 H new ATOM 1052 N ASN A 69 2.518 3.858 -13.054 1.00 1.03 N ATOM 1053 CA ASN A 69 3.062 2.858 -12.139 1.00 0.94 C ATOM 1054 C ASN A 69 4.292 3.424 -11.454 1.00 0.75 C ATOM 1055 O ASN A 69 5.161 2.695 -10.972 1.00 0.69 O ATOM 1056 CB ASN A 69 3.398 1.551 -12.864 1.00 1.06 C ATOM 1057 CG ASN A 69 2.176 0.676 -13.077 1.00 1.67 C ATOM 1058 OD1 ASN A 69 1.222 0.729 -12.307 1.00 2.35 O ATOM 1059 ND2 ASN A 69 2.202 -0.145 -14.119 1.00 2.29 N ATOM 0 H ASN A 69 3.188 4.207 -13.739 1.00 1.03 H new ATOM 0 HA ASN A 69 2.304 2.622 -11.392 1.00 0.94 H new ATOM 0 HB2 ASN A 69 3.850 1.780 -13.829 1.00 1.06 H new ATOM 0 HB3 ASN A 69 4.140 0.999 -12.287 1.00 1.06 H new ATOM 0 HD21 ASN A 69 1.410 -0.761 -14.303 1.00 2.29 H new ATOM 0 HD22 ASN A 69 3.014 -0.160 -14.736 1.00 2.29 H new ATOM 1066 N THR A 70 4.353 4.742 -11.429 1.00 0.74 N ATOM 1067 CA THR A 70 5.444 5.453 -10.797 1.00 0.68 C ATOM 1068 C THR A 70 4.931 6.172 -9.556 1.00 0.63 C ATOM 1069 O THR A 70 3.918 6.861 -9.612 1.00 0.71 O ATOM 1070 CB THR A 70 6.043 6.489 -11.766 1.00 0.85 C ATOM 1071 OG1 THR A 70 6.140 5.924 -13.082 1.00 0.97 O ATOM 1072 CG2 THR A 70 7.420 6.942 -11.302 1.00 0.89 C ATOM 0 H THR A 70 3.647 5.348 -11.847 1.00 0.74 H new ATOM 0 HA THR A 70 6.215 4.734 -10.521 1.00 0.68 H new ATOM 0 HB THR A 70 5.384 7.357 -11.786 1.00 0.85 H new ATOM 0 HG1 THR A 70 5.258 5.935 -13.509 1.00 0.97 H new ATOM 0 HG21 THR A 70 7.819 7.673 -12.005 1.00 0.89 H new ATOM 0 HG22 THR A 70 7.340 7.395 -10.314 1.00 0.89 H new ATOM 0 HG23 THR A 70 8.089 6.083 -11.254 1.00 0.89 H new ATOM 1080 N VAL A 71 5.617 6.012 -8.441 1.00 0.56 N ATOM 1081 CA VAL A 71 5.198 6.651 -7.203 1.00 0.58 C ATOM 1082 C VAL A 71 6.285 7.594 -6.714 1.00 0.57 C ATOM 1083 O VAL A 71 7.437 7.196 -6.568 1.00 0.57 O ATOM 1084 CB VAL A 71 4.867 5.616 -6.104 1.00 0.60 C ATOM 1085 CG1 VAL A 71 4.414 6.306 -4.824 1.00 0.68 C ATOM 1086 CG2 VAL A 71 3.806 4.640 -6.588 1.00 0.65 C ATOM 0 H VAL A 71 6.464 5.448 -8.364 1.00 0.56 H new ATOM 0 HA VAL A 71 4.289 7.214 -7.413 1.00 0.58 H new ATOM 0 HB VAL A 71 5.776 5.056 -5.884 1.00 0.60 H new ATOM 0 HG11 VAL A 71 4.187 5.555 -4.067 1.00 0.68 H new ATOM 0 HG12 VAL A 71 5.208 6.959 -4.462 1.00 0.68 H new ATOM 0 HG13 VAL A 71 3.522 6.898 -5.026 1.00 0.68 H new ATOM 0 HG21 VAL A 71 3.587 3.920 -5.800 1.00 0.65 H new ATOM 0 HG22 VAL A 71 2.898 5.186 -6.842 1.00 0.65 H new ATOM 0 HG23 VAL A 71 4.171 4.113 -7.470 1.00 0.65 H new ATOM 1096 N THR A 72 5.922 8.845 -6.483 1.00 0.63 N ATOM 1097 CA THR A 72 6.883 9.847 -6.059 1.00 0.66 C ATOM 1098 C THR A 72 6.582 10.310 -4.637 1.00 0.70 C ATOM 1099 O THR A 72 5.517 10.867 -4.364 1.00 0.78 O ATOM 1100 CB THR A 72 6.870 11.057 -7.013 1.00 0.75 C ATOM 1101 OG1 THR A 72 6.986 10.605 -8.372 1.00 0.76 O ATOM 1102 CG2 THR A 72 8.010 12.012 -6.695 1.00 0.80 C ATOM 0 H THR A 72 4.967 9.190 -6.582 1.00 0.63 H new ATOM 0 HA THR A 72 7.873 9.392 -6.083 1.00 0.66 H new ATOM 0 HB THR A 72 5.927 11.587 -6.881 1.00 0.75 H new ATOM 0 HG1 THR A 72 6.976 11.377 -8.976 1.00 0.76 H new ATOM 0 HG21 THR A 72 7.979 12.857 -7.382 1.00 0.80 H new ATOM 0 HG22 THR A 72 7.908 12.372 -5.671 1.00 0.80 H new ATOM 0 HG23 THR A 72 8.962 11.491 -6.803 1.00 0.80 H new ATOM 1110 N VAL A 73 7.517 10.053 -3.732 1.00 0.70 N ATOM 1111 CA VAL A 73 7.375 10.460 -2.345 1.00 0.76 C ATOM 1112 C VAL A 73 8.129 11.764 -2.101 1.00 0.90 C ATOM 1113 O VAL A 73 9.358 11.780 -2.011 1.00 1.01 O ATOM 1114 CB VAL A 73 7.903 9.372 -1.384 1.00 0.79 C ATOM 1115 CG1 VAL A 73 7.669 9.773 0.065 1.00 0.89 C ATOM 1116 CG2 VAL A 73 7.249 8.029 -1.682 1.00 0.75 C ATOM 0 H VAL A 73 8.386 9.561 -3.938 1.00 0.70 H new ATOM 0 HA VAL A 73 6.313 10.608 -2.148 1.00 0.76 H new ATOM 0 HB VAL A 73 8.977 9.272 -1.540 1.00 0.79 H new ATOM 0 HG11 VAL A 73 8.048 8.992 0.724 1.00 0.89 H new ATOM 0 HG12 VAL A 73 8.190 10.708 0.272 1.00 0.89 H new ATOM 0 HG13 VAL A 73 6.601 9.906 0.238 1.00 0.89 H new ATOM 0 HG21 VAL A 73 7.634 7.276 -0.994 1.00 0.75 H new ATOM 0 HG22 VAL A 73 6.169 8.115 -1.559 1.00 0.75 H new ATOM 0 HG23 VAL A 73 7.475 7.734 -2.707 1.00 0.75 H new ATOM 1126 N THR A 74 7.388 12.855 -2.015 1.00 0.97 N ATOM 1127 CA THR A 74 7.986 14.170 -1.859 1.00 1.15 C ATOM 1128 C THR A 74 7.286 14.946 -0.742 1.00 1.11 C ATOM 1129 O THR A 74 6.208 14.560 -0.290 1.00 0.99 O ATOM 1130 CB THR A 74 7.918 14.965 -3.189 1.00 1.38 C ATOM 1131 OG1 THR A 74 8.703 16.163 -3.100 1.00 1.87 O ATOM 1132 CG2 THR A 74 6.480 15.320 -3.546 1.00 1.47 C ATOM 0 H THR A 74 6.369 12.856 -2.051 1.00 0.97 H new ATOM 0 HA THR A 74 9.034 14.038 -1.590 1.00 1.15 H new ATOM 0 HB THR A 74 8.323 14.328 -3.975 1.00 1.38 H new ATOM 0 HG1 THR A 74 8.651 16.652 -3.948 1.00 1.87 H new ATOM 0 HG21 THR A 74 6.465 15.877 -4.483 1.00 1.47 H new ATOM 0 HG22 THR A 74 5.897 14.406 -3.657 1.00 1.47 H new ATOM 0 HG23 THR A 74 6.049 15.931 -2.753 1.00 1.47 H new