USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 777 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 82 SER OG : rot -52:sc= -1.79! USER MOD Set 1.2: A 84 ASN : amide:sc= -11! C(o=-13!,f=-15!) USER MOD Set 2.1: A 26 SER OG : rot 180:sc= -0.809! USER MOD Set 2.2: A 27 ASN : amide:sc= -0.67 K(o=-1.5,f=-7.8!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 21:sc= -3.82 USER MOD Single : A 12 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.5) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0952) USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= 0.238 (180deg=0.154) USER MOD Single : A 20 ASN :FLIP amide:sc= -1.01! C(o=-4.6!,f=-1!) USER MOD Single : A 23 GLN : amide:sc= 0.942 K(o=0.94,f=-1.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -153:sc= -0.0833 (180deg=-0.561) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 17:sc= -7.83! USER MOD Single : A 37 SER OG : rot 49:sc= 0.041 USER MOD Single : A 39 THR OG1 : rot 9:sc= 1.03 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.18 F(o=-0.81,f=-0.18) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -159:sc= -0.596 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.776 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 147:sc= -0.0403 (180deg=-0.132) USER MOD Single : A 74 TYR OH : rot -50:sc= -0.0523 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -6.93! C(o=-6.9!,f=-12!) USER MOD Single : A 83 SER OG : rot 88:sc= -1.17! USER MOD Single : A 92 MET CE :methyl 147:sc= -0.246 (180deg=-0.865) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.425 USER MOD ----------------------------------------------------------------- ATOM 13 N TRP A 2 8.668 -12.548 -6.783 1.00 0.00 N ATOM 14 CA TRP A 2 7.641 -11.486 -6.857 1.00 0.00 C ATOM 15 C TRP A 2 6.373 -11.921 -6.137 1.00 0.00 C ATOM 16 O TRP A 2 5.557 -12.623 -6.689 1.00 0.00 O ATOM 17 CB TRP A 2 7.311 -11.251 -8.350 1.00 0.00 C ATOM 18 CG TRP A 2 8.108 -10.053 -8.887 1.00 0.00 C ATOM 19 CD1 TRP A 2 9.145 -9.494 -8.267 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.819 -9.410 -9.995 1.00 0.00 C ATOM 21 NE1 TRP A 2 9.463 -8.454 -9.061 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.665 -8.333 -10.183 1.00 0.00 C ATOM 23 CE3 TRP A 2 6.849 -9.691 -10.945 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.535 -7.538 -11.301 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.730 -8.894 -12.066 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.574 -7.818 -12.241 1.00 0.00 C ATOM 0 HA TRP A 2 8.017 -10.578 -6.386 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.549 -12.144 -8.928 1.00 0.00 H new ATOM 0 HB3 TRP A 2 6.243 -11.070 -8.470 1.00 0.00 H new ATOM 0 HD1 TRP A 2 9.619 -9.801 -7.346 1.00 0.00 H new ATOM 0 HE1 TRP A 2 10.227 -7.811 -8.852 1.00 0.00 H new ATOM 0 HE3 TRP A 2 6.187 -10.533 -10.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 9.191 -6.691 -11.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 5.975 -9.114 -12.806 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.479 -7.195 -13.118 1.00 0.00 H new ATOM 37 N VAL A 3 6.234 -11.493 -4.904 1.00 0.00 N ATOM 38 CA VAL A 3 5.021 -11.874 -4.128 1.00 0.00 C ATOM 39 C VAL A 3 4.771 -10.900 -2.975 1.00 0.00 C ATOM 40 O VAL A 3 5.246 -11.106 -1.877 1.00 0.00 O ATOM 41 CB VAL A 3 5.239 -13.279 -3.526 1.00 0.00 C ATOM 42 CG1 VAL A 3 5.175 -14.330 -4.635 1.00 0.00 C ATOM 43 CG2 VAL A 3 6.616 -13.343 -2.851 1.00 0.00 C ATOM 0 H VAL A 3 6.903 -10.903 -4.410 1.00 0.00 H new ATOM 0 HA VAL A 3 4.164 -11.855 -4.801 1.00 0.00 H new ATOM 0 HB VAL A 3 4.460 -13.476 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.329 -15.320 -4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.198 -14.291 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.952 -14.129 -5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.768 -14.336 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.393 -13.141 -3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.667 -12.598 -2.057 1.00 0.00 H new ATOM 53 N ILE A 4 4.029 -9.856 -3.243 1.00 0.00 N ATOM 54 CA ILE A 4 3.747 -8.875 -2.167 1.00 0.00 C ATOM 55 C ILE A 4 2.505 -8.029 -2.502 1.00 0.00 C ATOM 56 O ILE A 4 2.606 -6.954 -3.059 1.00 0.00 O ATOM 57 CB ILE A 4 4.960 -7.955 -2.050 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.724 -6.924 -0.950 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.165 -7.222 -3.393 1.00 0.00 C ATOM 60 CD1 ILE A 4 6.056 -6.259 -0.588 1.00 0.00 C ATOM 0 H ILE A 4 3.613 -9.647 -4.151 1.00 0.00 H new ATOM 0 HA ILE A 4 3.555 -9.404 -1.233 1.00 0.00 H new ATOM 0 HB ILE A 4 5.842 -8.547 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.009 -6.173 -1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.293 -7.404 -0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.030 -6.562 -3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.333 -7.953 -4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.278 -6.633 -3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.893 -5.521 0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.757 -7.016 -0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.468 -5.766 -1.469 1.00 0.00 H new ATOM 72 N PRO A 5 1.346 -8.549 -2.143 1.00 0.00 N ATOM 73 CA PRO A 5 0.073 -7.859 -2.394 1.00 0.00 C ATOM 74 C PRO A 5 -0.107 -6.525 -1.618 1.00 0.00 C ATOM 75 O PRO A 5 -0.594 -5.556 -2.167 1.00 0.00 O ATOM 76 CB PRO A 5 -1.012 -8.859 -1.934 1.00 0.00 C ATOM 77 CG PRO A 5 -0.290 -10.170 -1.493 1.00 0.00 C ATOM 78 CD PRO A 5 1.222 -9.906 -1.564 1.00 0.00 C ATOM 0 HA PRO A 5 0.020 -7.579 -3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.590 -8.444 -1.108 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.713 -9.062 -2.743 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.584 -10.449 -0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.566 -10.999 -2.145 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.679 -9.957 -0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.724 -10.648 -2.185 1.00 0.00 H new ATOM 86 N PRO A 6 0.288 -6.503 -0.361 1.00 0.00 N ATOM 87 CA PRO A 6 0.159 -5.298 0.464 1.00 0.00 C ATOM 88 C PRO A 6 1.032 -4.142 -0.019 1.00 0.00 C ATOM 89 O PRO A 6 2.121 -4.338 -0.522 1.00 0.00 O ATOM 90 CB PRO A 6 0.612 -5.733 1.872 1.00 0.00 C ATOM 91 CG PRO A 6 1.032 -7.230 1.780 1.00 0.00 C ATOM 92 CD PRO A 6 0.886 -7.655 0.310 1.00 0.00 C ATOM 0 HA PRO A 6 -0.865 -4.925 0.427 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.446 -5.120 2.214 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.195 -5.604 2.593 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.060 -7.362 2.118 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.403 -7.846 2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.853 -7.907 -0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.254 -8.538 0.216 1.00 0.00 H new ATOM 100 N ILE A 7 0.517 -2.950 0.155 1.00 0.00 N ATOM 101 CA ILE A 7 1.264 -1.737 -0.268 1.00 0.00 C ATOM 102 C ILE A 7 0.896 -0.560 0.629 1.00 0.00 C ATOM 103 O ILE A 7 -0.023 -0.653 1.419 1.00 0.00 O ATOM 104 CB ILE A 7 0.893 -1.422 -1.724 1.00 0.00 C ATOM 105 CG1 ILE A 7 1.719 -2.320 -2.643 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.225 0.063 -2.023 1.00 0.00 C ATOM 107 CD1 ILE A 7 1.590 -1.842 -4.085 1.00 0.00 C ATOM 0 H ILE A 7 -0.395 -2.769 0.575 1.00 0.00 H new ATOM 0 HA ILE A 7 2.337 -1.912 -0.186 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.170 -1.598 -1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.765 -2.304 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.378 -3.352 -2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.964 0.293 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.654 0.706 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.291 0.235 -1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.181 -2.486 -4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.544 -1.881 -4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.953 -0.817 -4.162 1.00 0.00 H new ATOM 119 N SER A 8 1.622 0.527 0.500 1.00 0.00 N ATOM 120 CA SER A 8 1.316 1.718 1.352 1.00 0.00 C ATOM 121 C SER A 8 1.377 3.022 0.560 1.00 0.00 C ATOM 122 O SER A 8 2.199 3.186 -0.321 1.00 0.00 O ATOM 123 CB SER A 8 2.361 1.781 2.474 1.00 0.00 C ATOM 124 OG SER A 8 3.555 2.178 1.814 1.00 0.00 O ATOM 0 H SER A 8 2.401 0.639 -0.149 1.00 0.00 H new ATOM 0 HA SER A 8 0.304 1.610 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.075 2.496 3.245 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.479 0.814 2.964 1.00 0.00 H new ATOM 0 HG SER A 8 4.283 2.245 2.467 1.00 0.00 H new ATOM 130 N CYS A 9 0.491 3.927 0.899 1.00 0.00 N ATOM 131 CA CYS A 9 0.453 5.238 0.200 1.00 0.00 C ATOM 132 C CYS A 9 0.173 6.370 1.221 1.00 0.00 C ATOM 133 O CYS A 9 -0.915 6.459 1.756 1.00 0.00 O ATOM 134 CB CYS A 9 -0.695 5.200 -0.815 1.00 0.00 C ATOM 135 SG CYS A 9 -0.341 4.492 -2.442 1.00 0.00 S ATOM 0 H CYS A 9 -0.207 3.808 1.633 1.00 0.00 H new ATOM 0 HA CYS A 9 1.407 5.424 -0.293 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.517 4.637 -0.374 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.050 6.220 -0.961 1.00 0.00 H new ATOM 0 HG CYS A 9 0.712 3.734 -2.365 1.00 0.00 H new ATOM 141 N PRO A 10 1.167 7.217 1.475 1.00 0.00 N ATOM 142 CA PRO A 10 1.009 8.324 2.430 1.00 0.00 C ATOM 143 C PRO A 10 -0.015 9.380 1.989 1.00 0.00 C ATOM 144 O PRO A 10 -0.543 9.356 0.880 1.00 0.00 O ATOM 145 CB PRO A 10 2.405 8.978 2.513 1.00 0.00 C ATOM 146 CG PRO A 10 3.340 8.212 1.530 1.00 0.00 C ATOM 147 CD PRO A 10 2.501 7.115 0.859 1.00 0.00 C ATOM 0 HA PRO A 10 0.638 7.938 3.380 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.350 10.033 2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.793 8.926 3.530 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.751 8.891 0.783 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.184 7.777 2.064 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.449 7.264 -0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.937 6.130 1.024 1.00 0.00 H new ATOM 155 N GLU A 11 -0.270 10.292 2.895 1.00 0.00 N ATOM 156 CA GLU A 11 -1.233 11.376 2.619 1.00 0.00 C ATOM 157 C GLU A 11 -0.496 12.649 2.221 1.00 0.00 C ATOM 158 O GLU A 11 0.531 12.969 2.785 1.00 0.00 O ATOM 159 CB GLU A 11 -2.010 11.653 3.917 1.00 0.00 C ATOM 160 CG GLU A 11 -3.444 12.028 3.575 1.00 0.00 C ATOM 161 CD GLU A 11 -4.196 12.380 4.861 1.00 0.00 C ATOM 162 OE1 GLU A 11 -3.595 12.196 5.906 1.00 0.00 O ATOM 163 OE2 GLU A 11 -5.329 12.813 4.724 1.00 0.00 O ATOM 0 H GLU A 11 0.158 10.323 3.820 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.898 11.080 1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.996 10.772 4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.534 12.460 4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.457 12.875 2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.937 11.199 3.067 1.00 0.00 H new ATOM 170 N ASN A 12 -1.029 13.356 1.264 1.00 0.00 N ATOM 171 CA ASN A 12 -0.356 14.610 0.831 1.00 0.00 C ATOM 172 C ASN A 12 1.152 14.401 0.703 1.00 0.00 C ATOM 173 O ASN A 12 1.906 14.726 1.600 1.00 0.00 O ATOM 174 CB ASN A 12 -0.616 15.686 1.897 1.00 0.00 C ATOM 175 CG ASN A 12 -2.102 15.690 2.262 1.00 0.00 C ATOM 176 OD1 ASN A 12 -2.942 15.258 1.498 1.00 0.00 O ATOM 177 ND2 ASN A 12 -2.469 16.168 3.422 1.00 0.00 N ATOM 0 H ASN A 12 -1.890 13.123 0.769 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.750 14.911 -0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.013 15.489 2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.320 16.665 1.521 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.456 16.177 3.681 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.769 16.532 4.068 1.00 0.00 H new ATOM 184 N GLU A 13 1.565 13.869 -0.413 1.00 0.00 N ATOM 185 CA GLU A 13 3.013 13.629 -0.620 1.00 0.00 C ATOM 186 C GLU A 13 3.719 14.903 -1.063 1.00 0.00 C ATOM 187 O GLU A 13 3.088 15.921 -1.275 1.00 0.00 O ATOM 188 CB GLU A 13 3.171 12.570 -1.720 1.00 0.00 C ATOM 189 CG GLU A 13 2.308 11.356 -1.372 1.00 0.00 C ATOM 190 CD GLU A 13 3.127 10.079 -1.563 1.00 0.00 C ATOM 191 OE1 GLU A 13 4.266 10.097 -1.128 1.00 0.00 O ATOM 192 OE2 GLU A 13 2.568 9.159 -2.134 1.00 0.00 O ATOM 0 H GLU A 13 0.961 13.592 -1.187 1.00 0.00 H new ATOM 0 HA GLU A 13 3.456 13.295 0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.871 12.981 -2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.216 12.275 -1.811 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.960 11.427 -0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.422 11.332 -2.007 1.00 0.00 H new ATOM 199 N LYS A 14 5.022 14.816 -1.194 1.00 0.00 N ATOM 200 CA LYS A 14 5.811 16.004 -1.622 1.00 0.00 C ATOM 201 C LYS A 14 6.538 15.725 -2.932 1.00 0.00 C ATOM 202 O LYS A 14 6.999 14.624 -3.163 1.00 0.00 O ATOM 203 CB LYS A 14 6.856 16.303 -0.534 1.00 0.00 C ATOM 204 CG LYS A 14 7.485 14.988 -0.067 1.00 0.00 C ATOM 205 CD LYS A 14 8.930 15.247 0.370 1.00 0.00 C ATOM 206 CE LYS A 14 8.925 15.987 1.710 1.00 0.00 C ATOM 207 NZ LYS A 14 8.613 15.048 2.825 1.00 0.00 N ATOM 0 H LYS A 14 5.568 13.972 -1.022 1.00 0.00 H new ATOM 0 HA LYS A 14 5.138 16.849 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.625 16.970 -0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.387 16.815 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.912 14.571 0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.462 14.254 -0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.469 14.304 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.450 15.838 -0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.897 16.451 1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.188 16.790 1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.811 15.511 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.609 14.781 2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.202 14.195 2.736 1.00 0.00 H new ATOM 221 N GLY A 15 6.624 16.734 -3.766 1.00 0.00 N ATOM 222 CA GLY A 15 7.319 16.563 -5.081 1.00 0.00 C ATOM 223 C GLY A 15 6.369 16.911 -6.229 1.00 0.00 C ATOM 224 O GLY A 15 5.399 17.618 -6.038 1.00 0.00 O ATOM 0 H GLY A 15 6.245 17.665 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.200 17.204 -5.121 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.667 15.535 -5.186 1.00 0.00 H new ATOM 228 N GLU A 16 6.675 16.403 -7.400 1.00 0.00 N ATOM 229 CA GLU A 16 5.809 16.685 -8.581 1.00 0.00 C ATOM 230 C GLU A 16 5.020 15.444 -8.975 1.00 0.00 C ATOM 231 O GLU A 16 5.525 14.341 -8.909 1.00 0.00 O ATOM 232 CB GLU A 16 6.711 17.085 -9.758 1.00 0.00 C ATOM 233 CG GLU A 16 7.459 18.373 -9.406 1.00 0.00 C ATOM 234 CD GLU A 16 8.780 18.415 -10.177 1.00 0.00 C ATOM 235 OE1 GLU A 16 8.883 17.640 -11.115 1.00 0.00 O ATOM 236 OE2 GLU A 16 9.610 19.217 -9.787 1.00 0.00 O ATOM 0 H GLU A 16 7.483 15.809 -7.585 1.00 0.00 H new ATOM 0 HA GLU A 16 5.111 17.484 -8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.420 16.287 -9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.112 17.233 -10.657 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.850 19.241 -9.657 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.649 18.416 -8.333 1.00 0.00 H new ATOM 243 N PHE A 17 3.792 15.648 -9.379 1.00 0.00 N ATOM 244 CA PHE A 17 2.951 14.491 -9.783 1.00 0.00 C ATOM 245 C PHE A 17 2.945 14.333 -11.308 1.00 0.00 C ATOM 246 O PHE A 17 3.121 15.295 -12.032 1.00 0.00 O ATOM 247 CB PHE A 17 1.517 14.761 -9.305 1.00 0.00 C ATOM 248 CG PHE A 17 1.475 14.656 -7.779 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.505 13.418 -7.162 1.00 0.00 C ATOM 250 CD2 PHE A 17 1.420 15.795 -6.996 1.00 0.00 C ATOM 251 CE1 PHE A 17 1.482 13.322 -5.787 1.00 0.00 C ATOM 252 CE2 PHE A 17 1.398 15.695 -5.621 1.00 0.00 C ATOM 253 CZ PHE A 17 1.429 14.460 -5.018 1.00 0.00 C ATOM 0 H PHE A 17 3.341 16.561 -9.445 1.00 0.00 H new ATOM 0 HA PHE A 17 3.350 13.578 -9.341 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.194 15.752 -9.624 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.829 14.043 -9.751 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.547 12.521 -7.762 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.394 16.768 -7.464 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.506 12.352 -5.314 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.356 16.589 -5.016 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.412 14.384 -3.941 1.00 0.00 H new ATOM 263 N PRO A 18 2.740 13.109 -11.776 1.00 0.00 N ATOM 264 CA PRO A 18 2.574 11.924 -10.916 1.00 0.00 C ATOM 265 C PRO A 18 3.888 11.518 -10.240 1.00 0.00 C ATOM 266 O PRO A 18 4.945 11.612 -10.831 1.00 0.00 O ATOM 267 CB PRO A 18 2.138 10.801 -11.883 1.00 0.00 C ATOM 268 CG PRO A 18 2.192 11.384 -13.330 1.00 0.00 C ATOM 269 CD PRO A 18 2.615 12.858 -13.213 1.00 0.00 C ATOM 0 HA PRO A 18 1.859 12.119 -10.117 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.798 9.938 -11.792 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.131 10.459 -11.644 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.902 10.828 -13.942 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.219 11.301 -13.815 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.559 13.039 -13.728 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.874 13.517 -13.665 1.00 0.00 H new ATOM 277 N LYS A 19 3.784 11.070 -9.007 1.00 0.00 N ATOM 278 CA LYS A 19 5.009 10.650 -8.263 1.00 0.00 C ATOM 279 C LYS A 19 5.087 9.134 -8.148 1.00 0.00 C ATOM 280 O LYS A 19 4.109 8.481 -7.846 1.00 0.00 O ATOM 281 CB LYS A 19 4.941 11.245 -6.845 1.00 0.00 C ATOM 282 CG LYS A 19 6.206 10.853 -6.073 1.00 0.00 C ATOM 283 CD LYS A 19 6.261 11.638 -4.758 1.00 0.00 C ATOM 284 CE LYS A 19 7.703 11.662 -4.246 1.00 0.00 C ATOM 285 NZ LYS A 19 7.728 11.715 -2.756 1.00 0.00 N ATOM 0 H LYS A 19 2.909 10.979 -8.491 1.00 0.00 H new ATOM 0 HA LYS A 19 5.888 11.005 -8.802 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.854 12.330 -6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.055 10.878 -6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.205 9.782 -5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.092 11.063 -6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.900 12.655 -4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.607 11.177 -4.018 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.233 10.775 -4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.226 12.526 -4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.672 11.444 -2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.509 12.681 -2.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.020 11.057 -2.373 1.00 0.00 H new ATOM 299 N ASN A 20 6.254 8.598 -8.385 1.00 0.00 N ATOM 300 CA ASN A 20 6.408 7.128 -8.292 1.00 0.00 C ATOM 301 C ASN A 20 6.440 6.679 -6.835 1.00 0.00 C ATOM 302 O ASN A 20 7.176 7.222 -6.035 1.00 0.00 O ATOM 303 CB ASN A 20 7.730 6.732 -8.955 1.00 0.00 C ATOM 304 CG ASN A 20 7.911 7.530 -10.250 1.00 0.00 C ATOM 305 OD1 ASN A 20 6.882 8.142 -10.765 1.00 0.00 O flip ATOM 306 ND2 ASN A 20 8.990 7.599 -10.802 1.00 0.00 N flip ATOM 0 H ASN A 20 7.097 9.114 -8.636 1.00 0.00 H new ATOM 0 HA ASN A 20 5.563 6.652 -8.790 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.561 6.925 -8.277 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.736 5.663 -9.170 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.798 7.122 -10.403 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.088 8.134 -11.665 1.00 0.00 H new ATOM 313 N LEU A 21 5.638 5.689 -6.515 1.00 0.00 N ATOM 314 CA LEU A 21 5.611 5.193 -5.111 1.00 0.00 C ATOM 315 C LEU A 21 6.456 3.938 -4.967 1.00 0.00 C ATOM 316 O LEU A 21 7.427 3.925 -4.237 1.00 0.00 O ATOM 317 CB LEU A 21 4.157 4.841 -4.732 1.00 0.00 C ATOM 318 CG LEU A 21 3.255 6.076 -4.872 1.00 0.00 C ATOM 319 CD1 LEU A 21 1.995 5.869 -4.024 1.00 0.00 C ATOM 320 CD2 LEU A 21 3.991 7.320 -4.369 1.00 0.00 C ATOM 0 H LEU A 21 5.010 5.211 -7.161 1.00 0.00 H new ATOM 0 HA LEU A 21 6.009 5.972 -4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.791 4.040 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.121 4.470 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 21 2.990 6.212 -5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.347 6.741 -4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.464 4.983 -4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.277 5.736 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.345 8.192 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.256 7.187 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.897 7.469 -4.956 1.00 0.00 H new ATOM 332 N VAL A 22 6.078 2.901 -5.664 1.00 0.00 N ATOM 333 CA VAL A 22 6.862 1.645 -5.565 1.00 0.00 C ATOM 334 C VAL A 22 6.588 0.726 -6.750 1.00 0.00 C ATOM 335 O VAL A 22 5.587 0.860 -7.426 1.00 0.00 O ATOM 336 CB VAL A 22 6.446 0.925 -4.273 1.00 0.00 C ATOM 337 CG1 VAL A 22 5.119 0.198 -4.507 1.00 0.00 C ATOM 338 CG2 VAL A 22 7.520 -0.095 -3.894 1.00 0.00 C ATOM 0 H VAL A 22 5.272 2.871 -6.288 1.00 0.00 H new ATOM 0 HA VAL A 22 7.924 1.889 -5.562 1.00 0.00 H new ATOM 0 HB VAL A 22 6.331 1.651 -3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.819 -0.315 -3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.352 0.921 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.240 -0.530 -5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.228 -0.608 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.630 -0.823 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.469 0.417 -3.736 1.00 0.00 H new ATOM 348 N GLN A 23 7.490 -0.193 -6.982 1.00 0.00 N ATOM 349 CA GLN A 23 7.299 -1.128 -8.116 1.00 0.00 C ATOM 350 C GLN A 23 6.361 -2.257 -7.723 1.00 0.00 C ATOM 351 O GLN A 23 6.212 -2.564 -6.556 1.00 0.00 O ATOM 352 CB GLN A 23 8.661 -1.720 -8.508 1.00 0.00 C ATOM 353 CG GLN A 23 8.868 -1.534 -10.014 1.00 0.00 C ATOM 354 CD GLN A 23 10.285 -1.967 -10.392 1.00 0.00 C ATOM 355 OE1 GLN A 23 11.159 -2.072 -9.554 1.00 0.00 O ATOM 356 NE2 GLN A 23 10.556 -2.224 -11.643 1.00 0.00 N ATOM 0 H GLN A 23 8.341 -0.331 -6.437 1.00 0.00 H new ATOM 0 HA GLN A 23 6.864 -0.585 -8.955 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.460 -1.227 -7.954 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.700 -2.778 -8.250 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.137 -2.123 -10.568 1.00 0.00 H new ATOM 0 HG3 GLN A 23 8.710 -0.491 -10.287 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.827 -2.138 -12.351 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.497 -2.511 -11.912 1.00 0.00 H new ATOM 365 N ILE A 24 5.747 -2.857 -8.707 1.00 0.00 N ATOM 366 CA ILE A 24 4.810 -3.973 -8.419 1.00 0.00 C ATOM 367 C ILE A 24 5.468 -5.338 -8.637 1.00 0.00 C ATOM 368 O ILE A 24 6.498 -5.446 -9.271 1.00 0.00 O ATOM 369 CB ILE A 24 3.606 -3.831 -9.371 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.531 -2.979 -8.699 1.00 0.00 C ATOM 371 CG2 ILE A 24 3.026 -5.233 -9.671 1.00 0.00 C ATOM 372 CD1 ILE A 24 1.241 -3.031 -9.522 1.00 0.00 C ATOM 0 H ILE A 24 5.855 -2.621 -9.694 1.00 0.00 H new ATOM 0 HA ILE A 24 4.504 -3.920 -7.374 1.00 0.00 H new ATOM 0 HB ILE A 24 3.926 -3.357 -10.299 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.344 -3.343 -7.689 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.874 -1.948 -8.608 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.174 -5.138 -10.344 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.792 -5.851 -10.140 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.703 -5.700 -8.741 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.477 -2.422 -9.039 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.433 -2.646 -10.524 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.894 -4.062 -9.590 1.00 0.00 H new ATOM 384 N LYS A 25 4.838 -6.355 -8.099 1.00 0.00 N ATOM 385 CA LYS A 25 5.377 -7.730 -8.244 1.00 0.00 C ATOM 386 C LYS A 25 4.229 -8.721 -8.477 1.00 0.00 C ATOM 387 O LYS A 25 3.304 -8.793 -7.691 1.00 0.00 O ATOM 388 CB LYS A 25 6.111 -8.102 -6.947 1.00 0.00 C ATOM 389 CG LYS A 25 7.139 -7.012 -6.624 1.00 0.00 C ATOM 390 CD LYS A 25 8.192 -7.575 -5.666 1.00 0.00 C ATOM 391 CE LYS A 25 8.786 -6.429 -4.841 1.00 0.00 C ATOM 392 NZ LYS A 25 9.690 -6.960 -3.779 1.00 0.00 N ATOM 0 H LYS A 25 3.972 -6.284 -7.565 1.00 0.00 H new ATOM 0 HA LYS A 25 6.058 -7.771 -9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.399 -8.203 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.607 -9.066 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.615 -6.662 -7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.644 -6.152 -6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.742 -8.318 -5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.978 -8.081 -6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.340 -5.753 -5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.984 -5.847 -4.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.083 -6.169 -3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.152 -7.587 -3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.466 -7.495 -4.219 1.00 0.00 H new ATOM 406 N SER A 26 4.313 -9.467 -9.555 1.00 0.00 N ATOM 407 CA SER A 26 3.235 -10.459 -9.861 1.00 0.00 C ATOM 408 C SER A 26 3.655 -11.870 -9.505 1.00 0.00 C ATOM 409 O SER A 26 3.730 -12.225 -8.351 1.00 0.00 O ATOM 410 CB SER A 26 2.948 -10.410 -11.372 1.00 0.00 C ATOM 411 OG SER A 26 2.132 -11.548 -11.606 1.00 0.00 O ATOM 0 H SER A 26 5.076 -9.431 -10.231 1.00 0.00 H new ATOM 0 HA SER A 26 2.355 -10.202 -9.272 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.437 -9.489 -11.651 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.868 -10.453 -11.954 1.00 0.00 H new ATOM 0 HG SER A 26 1.898 -11.593 -12.557 1.00 0.00 H new ATOM 417 N ASN A 27 3.904 -12.652 -10.510 1.00 0.00 N ATOM 418 CA ASN A 27 4.322 -14.049 -10.267 1.00 0.00 C ATOM 419 C ASN A 27 4.774 -14.697 -11.564 1.00 0.00 C ATOM 420 O ASN A 27 5.831 -15.289 -11.631 1.00 0.00 O ATOM 421 CB ASN A 27 3.119 -14.830 -9.711 1.00 0.00 C ATOM 422 CG ASN A 27 1.820 -14.142 -10.146 1.00 0.00 C ATOM 423 OD1 ASN A 27 1.452 -14.161 -11.303 1.00 0.00 O ATOM 424 ND2 ASN A 27 1.100 -13.526 -9.248 1.00 0.00 N ATOM 0 H ASN A 27 3.835 -12.382 -11.491 1.00 0.00 H new ATOM 0 HA ASN A 27 5.150 -14.060 -9.558 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.139 -15.857 -10.075 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.173 -14.876 -8.623 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.232 -13.063 -9.520 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.405 -13.507 -8.275 1.00 0.00 H new ATOM 431 N ARG A 28 3.968 -14.565 -12.579 1.00 0.00 N ATOM 432 CA ARG A 28 4.338 -15.169 -13.880 1.00 0.00 C ATOM 433 C ARG A 28 5.659 -14.594 -14.371 1.00 0.00 C ATOM 434 O ARG A 28 6.208 -15.038 -15.359 1.00 0.00 O ATOM 435 CB ARG A 28 3.243 -14.831 -14.902 1.00 0.00 C ATOM 436 CG ARG A 28 1.985 -15.635 -14.572 1.00 0.00 C ATOM 437 CD ARG A 28 2.223 -17.104 -14.928 1.00 0.00 C ATOM 438 NE ARG A 28 0.928 -17.719 -15.338 1.00 0.00 N ATOM 439 CZ ARG A 28 0.544 -18.833 -14.779 1.00 0.00 C ATOM 440 NH1 ARG A 28 -0.147 -18.780 -13.673 1.00 0.00 N ATOM 441 NH2 ARG A 28 0.861 -19.965 -15.346 1.00 0.00 N ATOM 0 H ARG A 28 3.077 -14.069 -12.562 1.00 0.00 H new ATOM 0 HA ARG A 28 4.440 -16.248 -13.762 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.024 -13.764 -14.879 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.585 -15.065 -15.910 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.744 -15.539 -13.513 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.133 -15.246 -15.130 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.950 -17.183 -15.736 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.639 -17.636 -14.072 1.00 0.00 H new ATOM 0 HE ARG A 28 0.348 -17.273 -16.049 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.379 -17.877 -13.259 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.455 -19.642 -13.223 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.400 -19.968 -16.212 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.569 -20.846 -14.923 1.00 0.00 H new ATOM 455 N ASP A 29 6.148 -13.621 -13.657 1.00 0.00 N ATOM 456 CA ASP A 29 7.431 -12.994 -14.053 1.00 0.00 C ATOM 457 C ASP A 29 8.581 -13.985 -13.927 1.00 0.00 C ATOM 458 O ASP A 29 9.734 -13.601 -13.925 1.00 0.00 O ATOM 459 CB ASP A 29 7.691 -11.802 -13.113 1.00 0.00 C ATOM 460 CG ASP A 29 8.408 -12.293 -11.851 1.00 0.00 C ATOM 461 OD1 ASP A 29 7.851 -13.177 -11.221 1.00 0.00 O ATOM 462 OD2 ASP A 29 9.472 -11.756 -11.590 1.00 0.00 O ATOM 0 H ASP A 29 5.714 -13.235 -12.818 1.00 0.00 H new ATOM 0 HA ASP A 29 7.368 -12.670 -15.092 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.297 -11.051 -13.620 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.749 -11.324 -12.846 1.00 0.00 H new ATOM 467 N LYS A 30 8.240 -15.247 -13.826 1.00 0.00 N ATOM 468 CA LYS A 30 9.291 -16.291 -13.698 1.00 0.00 C ATOM 469 C LYS A 30 9.446 -17.076 -14.994 1.00 0.00 C ATOM 470 O LYS A 30 10.399 -17.813 -15.158 1.00 0.00 O ATOM 471 CB LYS A 30 8.868 -17.261 -12.586 1.00 0.00 C ATOM 472 CG LYS A 30 8.949 -16.544 -11.237 1.00 0.00 C ATOM 473 CD LYS A 30 10.216 -16.993 -10.506 1.00 0.00 C ATOM 474 CE LYS A 30 10.591 -15.941 -9.463 1.00 0.00 C ATOM 475 NZ LYS A 30 11.077 -14.698 -10.126 1.00 0.00 N ATOM 0 H LYS A 30 7.281 -15.593 -13.827 1.00 0.00 H new ATOM 0 HA LYS A 30 10.242 -15.810 -13.468 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.853 -17.616 -12.763 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.516 -18.137 -12.585 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.963 -15.464 -11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.068 -16.772 -10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.051 -17.957 -10.025 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.032 -17.126 -11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.726 -15.713 -8.840 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.364 -16.334 -8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.729 -14.197 -9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.574 -14.945 -11.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.268 -14.083 -10.347 1.00 0.00 H new ATOM 489 N GLU A 31 8.505 -16.903 -15.897 1.00 0.00 N ATOM 490 CA GLU A 31 8.581 -17.637 -17.195 1.00 0.00 C ATOM 491 C GLU A 31 8.952 -16.700 -18.339 1.00 0.00 C ATOM 492 O GLU A 31 9.692 -17.072 -19.230 1.00 0.00 O ATOM 493 CB GLU A 31 7.200 -18.246 -17.486 1.00 0.00 C ATOM 494 CG GLU A 31 6.116 -17.220 -17.158 1.00 0.00 C ATOM 495 CD GLU A 31 4.875 -17.507 -18.005 1.00 0.00 C ATOM 496 OE1 GLU A 31 4.461 -18.654 -17.990 1.00 0.00 O ATOM 497 OE2 GLU A 31 4.411 -16.561 -18.622 1.00 0.00 O ATOM 0 H GLU A 31 7.697 -16.290 -15.789 1.00 0.00 H new ATOM 0 HA GLU A 31 9.348 -18.408 -17.119 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.133 -18.540 -18.533 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.055 -19.148 -16.891 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.865 -17.265 -16.098 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.481 -16.212 -17.357 1.00 0.00 H new ATOM 504 N THR A 32 8.436 -15.502 -18.299 1.00 0.00 N ATOM 505 CA THR A 32 8.755 -14.540 -19.385 1.00 0.00 C ATOM 506 C THR A 32 8.511 -13.102 -18.936 1.00 0.00 C ATOM 507 O THR A 32 7.670 -12.844 -18.099 1.00 0.00 O ATOM 508 CB THR A 32 7.839 -14.849 -20.581 1.00 0.00 C ATOM 509 OG1 THR A 32 8.522 -14.354 -21.714 1.00 0.00 O ATOM 510 CG2 THR A 32 6.548 -14.021 -20.519 1.00 0.00 C ATOM 0 H THR A 32 7.815 -15.153 -17.569 1.00 0.00 H new ATOM 0 HA THR A 32 9.807 -14.642 -19.653 1.00 0.00 H new ATOM 0 HB THR A 32 7.607 -15.914 -20.597 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.987 -14.523 -22.518 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.920 -14.261 -21.377 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.010 -14.254 -19.600 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.795 -12.960 -20.536 1.00 0.00 H new ATOM 518 N LYS A 33 9.259 -12.186 -19.500 1.00 0.00 N ATOM 519 CA LYS A 33 9.075 -10.766 -19.113 1.00 0.00 C ATOM 520 C LYS A 33 7.598 -10.417 -19.173 1.00 0.00 C ATOM 521 O LYS A 33 7.029 -10.313 -20.242 1.00 0.00 O ATOM 522 CB LYS A 33 9.839 -9.889 -20.116 1.00 0.00 C ATOM 523 CG LYS A 33 10.023 -8.487 -19.531 1.00 0.00 C ATOM 524 CD LYS A 33 11.414 -7.968 -19.905 1.00 0.00 C ATOM 525 CE LYS A 33 11.505 -7.819 -21.426 1.00 0.00 C ATOM 526 NZ LYS A 33 11.302 -6.398 -21.825 1.00 0.00 N ATOM 0 H LYS A 33 9.978 -12.363 -20.202 1.00 0.00 H new ATOM 0 HA LYS A 33 9.447 -10.600 -18.102 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.810 -10.333 -20.338 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.292 -9.833 -21.057 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.255 -7.815 -19.915 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.910 -8.514 -18.447 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.599 -7.008 -19.422 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.180 -8.657 -19.549 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.479 -8.165 -21.773 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.754 -8.448 -21.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.367 -6.315 -22.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.363 -6.080 -21.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.034 -5.806 -21.384 1.00 0.00 H new ATOM 540 N VAL A 34 7.005 -10.235 -18.024 1.00 0.00 N ATOM 541 CA VAL A 34 5.558 -9.896 -17.991 1.00 0.00 C ATOM 542 C VAL A 34 5.298 -8.408 -17.758 1.00 0.00 C ATOM 543 O VAL A 34 5.971 -7.759 -16.981 1.00 0.00 O ATOM 544 CB VAL A 34 4.920 -10.691 -16.841 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.698 -10.428 -15.555 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.475 -10.237 -16.654 1.00 0.00 C ATOM 0 H VAL A 34 7.459 -10.306 -17.113 1.00 0.00 H new ATOM 0 HA VAL A 34 5.129 -10.148 -18.961 1.00 0.00 H new ATOM 0 HB VAL A 34 4.943 -11.755 -17.075 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.249 -10.990 -14.736 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.734 -10.742 -15.686 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.668 -9.363 -15.323 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.020 -10.799 -15.839 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.456 -9.173 -16.416 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.916 -10.414 -17.573 1.00 0.00 H new ATOM 556 N PHE A 35 4.306 -7.908 -18.455 1.00 0.00 N ATOM 557 CA PHE A 35 3.934 -6.476 -18.328 1.00 0.00 C ATOM 558 C PHE A 35 2.745 -6.354 -17.396 1.00 0.00 C ATOM 559 O PHE A 35 2.030 -7.320 -17.191 1.00 0.00 O ATOM 560 CB PHE A 35 3.539 -5.935 -19.715 1.00 0.00 C ATOM 561 CG PHE A 35 4.794 -5.539 -20.500 1.00 0.00 C ATOM 562 CD1 PHE A 35 6.031 -6.077 -20.186 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.708 -4.617 -21.530 1.00 0.00 C ATOM 564 CE1 PHE A 35 7.157 -5.695 -20.888 1.00 0.00 C ATOM 565 CE2 PHE A 35 5.836 -4.240 -22.228 1.00 0.00 C ATOM 566 CZ PHE A 35 7.058 -4.779 -21.906 1.00 0.00 C ATOM 0 H PHE A 35 3.736 -8.442 -19.111 1.00 0.00 H new ATOM 0 HA PHE A 35 4.776 -5.908 -17.933 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.980 -6.693 -20.264 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.882 -5.072 -19.604 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.115 -6.799 -19.388 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.750 -4.190 -21.788 1.00 0.00 H new ATOM 0 HE1 PHE A 35 8.118 -6.118 -20.636 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.759 -3.520 -23.029 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.940 -4.482 -22.453 1.00 0.00 H new ATOM 576 N TYR A 36 2.532 -5.170 -16.861 1.00 0.00 N ATOM 577 CA TYR A 36 1.379 -4.985 -15.928 1.00 0.00 C ATOM 578 C TYR A 36 0.274 -4.109 -16.484 1.00 0.00 C ATOM 579 O TYR A 36 0.374 -3.544 -17.552 1.00 0.00 O ATOM 580 CB TYR A 36 1.906 -4.318 -14.659 1.00 0.00 C ATOM 581 CG TYR A 36 2.567 -5.376 -13.803 1.00 0.00 C ATOM 582 CD1 TYR A 36 3.823 -5.838 -14.117 1.00 0.00 C ATOM 583 CD2 TYR A 36 1.907 -5.907 -12.719 1.00 0.00 C ATOM 584 CE1 TYR A 36 4.409 -6.817 -13.361 1.00 0.00 C ATOM 585 CE2 TYR A 36 2.495 -6.888 -11.962 1.00 0.00 C ATOM 586 CZ TYR A 36 3.753 -7.351 -12.276 1.00 0.00 C ATOM 587 OH TYR A 36 4.346 -8.321 -11.515 1.00 0.00 O ATOM 0 H TYR A 36 3.099 -4.339 -17.029 1.00 0.00 H new ATOM 0 HA TYR A 36 0.950 -5.971 -15.751 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.620 -3.534 -14.911 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.091 -3.843 -14.113 1.00 0.00 H new ATOM 0 HD1 TYR A 36 4.350 -5.426 -14.965 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.921 -5.549 -12.463 1.00 0.00 H new ATOM 0 HE1 TYR A 36 5.395 -7.174 -13.619 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.968 -7.300 -11.114 1.00 0.00 H new ATOM 0 HH TYR A 36 5.309 -8.338 -11.698 1.00 0.00 H new ATOM 597 N SER A 37 -0.771 -4.034 -15.711 1.00 0.00 N ATOM 598 CA SER A 37 -1.944 -3.227 -16.087 1.00 0.00 C ATOM 599 C SER A 37 -2.753 -2.941 -14.831 1.00 0.00 C ATOM 600 O SER A 37 -2.828 -3.778 -13.957 1.00 0.00 O ATOM 601 CB SER A 37 -2.807 -4.038 -17.069 1.00 0.00 C ATOM 602 OG SER A 37 -2.645 -3.366 -18.311 1.00 0.00 O ATOM 0 H SER A 37 -0.855 -4.513 -14.814 1.00 0.00 H new ATOM 0 HA SER A 37 -1.632 -2.293 -16.553 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.474 -5.074 -17.130 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.852 -4.057 -16.759 1.00 0.00 H new ATOM 0 HG SER A 37 -1.692 -3.206 -18.475 1.00 0.00 H new ATOM 608 N ILE A 38 -3.333 -1.768 -14.753 1.00 0.00 N ATOM 609 CA ILE A 38 -4.144 -1.422 -13.540 1.00 0.00 C ATOM 610 C ILE A 38 -5.576 -1.091 -13.906 1.00 0.00 C ATOM 611 O ILE A 38 -5.856 -0.594 -14.979 1.00 0.00 O ATOM 612 CB ILE A 38 -3.510 -0.196 -12.834 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.544 0.492 -11.951 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.034 0.829 -13.885 1.00 0.00 C ATOM 615 CD1 ILE A 38 -3.867 1.631 -11.186 1.00 0.00 C ATOM 0 H ILE A 38 -3.282 -1.041 -15.467 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.149 -2.288 -12.878 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.670 -0.546 -12.234 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.360 0.880 -12.560 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.979 -0.224 -11.253 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.590 1.687 -13.381 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.292 0.366 -14.535 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.884 1.159 -14.482 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.600 2.129 -10.551 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.066 1.228 -10.567 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.453 2.349 -11.894 1.00 0.00 H new ATOM 627 N THR A 39 -6.458 -1.377 -12.993 1.00 0.00 N ATOM 628 CA THR A 39 -7.885 -1.099 -13.233 1.00 0.00 C ATOM 629 C THR A 39 -8.637 -1.047 -11.910 1.00 0.00 C ATOM 630 O THR A 39 -8.171 -1.571 -10.909 1.00 0.00 O ATOM 631 CB THR A 39 -8.464 -2.231 -14.092 1.00 0.00 C ATOM 632 OG1 THR A 39 -9.668 -1.718 -14.623 1.00 0.00 O ATOM 633 CG2 THR A 39 -8.903 -3.419 -13.219 1.00 0.00 C ATOM 0 H THR A 39 -6.244 -1.794 -12.087 1.00 0.00 H new ATOM 0 HA THR A 39 -7.990 -0.140 -13.740 1.00 0.00 H new ATOM 0 HB THR A 39 -7.723 -2.551 -14.824 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.728 -0.759 -14.430 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.309 -4.206 -13.854 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.044 -3.803 -12.669 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.667 -3.090 -12.515 1.00 0.00 H new ATOM 641 N GLY A 40 -9.782 -0.414 -11.926 1.00 0.00 N ATOM 642 CA GLY A 40 -10.592 -0.311 -10.675 1.00 0.00 C ATOM 643 C GLY A 40 -10.612 1.131 -10.163 1.00 0.00 C ATOM 644 O GLY A 40 -10.007 2.018 -10.747 1.00 0.00 O ATOM 0 H GLY A 40 -10.190 0.034 -12.747 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.611 -0.649 -10.866 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.176 -0.968 -9.911 1.00 0.00 H new ATOM 648 N GLN A 41 -11.309 1.336 -9.077 1.00 0.00 N ATOM 649 CA GLN A 41 -11.386 2.700 -8.508 1.00 0.00 C ATOM 650 C GLN A 41 -9.997 3.301 -8.368 1.00 0.00 C ATOM 651 O GLN A 41 -9.073 2.639 -7.936 1.00 0.00 O ATOM 652 CB GLN A 41 -12.023 2.605 -7.113 1.00 0.00 C ATOM 653 CG GLN A 41 -10.968 2.125 -6.113 1.00 0.00 C ATOM 654 CD GLN A 41 -11.657 1.681 -4.822 1.00 0.00 C ATOM 655 OE1 GLN A 41 -12.849 2.136 -4.552 1.00 0.00 O flip ATOM 656 NE2 GLN A 41 -11.116 0.915 -4.048 1.00 0.00 N flip ATOM 0 H GLN A 41 -11.823 0.618 -8.566 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.979 3.332 -9.170 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.413 3.577 -6.811 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.866 1.914 -7.131 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.398 1.298 -6.537 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.259 2.926 -5.903 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.184 0.556 -4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.594 0.632 -3.193 1.00 0.00 H new ATOM 665 N GLY A 42 -9.873 4.546 -8.737 1.00 0.00 N ATOM 666 CA GLY A 42 -8.545 5.216 -8.635 1.00 0.00 C ATOM 667 C GLY A 42 -7.866 5.240 -10.001 1.00 0.00 C ATOM 668 O GLY A 42 -7.072 6.117 -10.289 1.00 0.00 O ATOM 0 H GLY A 42 -10.628 5.126 -9.103 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.669 6.233 -8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.917 4.689 -7.917 1.00 0.00 H new ATOM 672 N ALA A 43 -8.198 4.269 -10.816 1.00 0.00 N ATOM 673 CA ALA A 43 -7.594 4.204 -12.170 1.00 0.00 C ATOM 674 C ALA A 43 -8.626 4.558 -13.227 1.00 0.00 C ATOM 675 O ALA A 43 -8.654 5.673 -13.723 1.00 0.00 O ATOM 676 CB ALA A 43 -7.105 2.767 -12.412 1.00 0.00 C ATOM 0 H ALA A 43 -8.859 3.524 -10.598 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.768 4.912 -12.234 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.657 2.697 -13.403 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.362 2.504 -11.659 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.948 2.080 -12.346 1.00 0.00 H new ATOM 682 N ASP A 44 -9.470 3.606 -13.541 1.00 0.00 N ATOM 683 CA ASP A 44 -10.515 3.857 -14.563 1.00 0.00 C ATOM 684 C ASP A 44 -11.848 4.183 -13.905 1.00 0.00 C ATOM 685 O ASP A 44 -12.683 4.843 -14.493 1.00 0.00 O ATOM 686 CB ASP A 44 -10.683 2.582 -15.404 1.00 0.00 C ATOM 687 CG ASP A 44 -11.529 1.570 -14.627 1.00 0.00 C ATOM 688 OD1 ASP A 44 -12.709 1.850 -14.480 1.00 0.00 O ATOM 689 OD2 ASP A 44 -10.949 0.576 -14.224 1.00 0.00 O ATOM 0 H ASP A 44 -9.475 2.672 -13.132 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.213 4.702 -15.181 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.162 2.820 -16.354 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.707 2.155 -15.637 1.00 0.00 H new ATOM 694 N LYS A 45 -12.022 3.718 -12.692 1.00 0.00 N ATOM 695 CA LYS A 45 -13.297 3.988 -11.976 1.00 0.00 C ATOM 696 C LYS A 45 -13.129 5.154 -10.995 1.00 0.00 C ATOM 697 O LYS A 45 -12.051 5.390 -10.484 1.00 0.00 O ATOM 698 CB LYS A 45 -13.688 2.727 -11.185 1.00 0.00 C ATOM 699 CG LYS A 45 -14.779 1.965 -11.948 1.00 0.00 C ATOM 700 CD LYS A 45 -15.490 1.011 -10.988 1.00 0.00 C ATOM 701 CE LYS A 45 -14.447 0.225 -10.196 1.00 0.00 C ATOM 702 NZ LYS A 45 -15.098 -0.850 -9.398 1.00 0.00 N ATOM 0 H LYS A 45 -11.338 3.167 -12.173 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.067 4.248 -12.702 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.816 2.089 -11.042 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.047 3.003 -10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.494 2.665 -12.380 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.339 1.407 -12.775 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.133 1.571 -10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.132 0.328 -11.544 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.717 -0.212 -10.878 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.902 0.898 -9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.374 -1.374 -8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.777 -0.426 -8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.598 -1.501 -10.036 1.00 0.00 H new ATOM 716 N PRO A 46 -14.215 5.867 -10.749 1.00 0.00 N ATOM 717 CA PRO A 46 -14.192 7.004 -9.835 1.00 0.00 C ATOM 718 C PRO A 46 -13.665 6.606 -8.440 1.00 0.00 C ATOM 719 O PRO A 46 -14.095 5.617 -7.881 1.00 0.00 O ATOM 720 CB PRO A 46 -15.670 7.441 -9.716 1.00 0.00 C ATOM 721 CG PRO A 46 -16.509 6.507 -10.638 1.00 0.00 C ATOM 722 CD PRO A 46 -15.523 5.566 -11.346 1.00 0.00 C ATOM 0 HA PRO A 46 -13.534 7.791 -10.205 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.010 7.366 -8.683 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.787 8.482 -10.016 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.232 5.938 -10.054 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.074 7.090 -11.365 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -15.795 4.522 -11.194 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.515 5.740 -12.422 1.00 0.00 H new ATOM 730 N PRO A 47 -12.730 7.391 -7.893 1.00 0.00 N ATOM 731 CA PRO A 47 -12.137 8.561 -8.569 1.00 0.00 C ATOM 732 C PRO A 47 -11.251 8.138 -9.743 1.00 0.00 C ATOM 733 O PRO A 47 -10.252 7.472 -9.559 1.00 0.00 O ATOM 734 CB PRO A 47 -11.258 9.229 -7.491 1.00 0.00 C ATOM 735 CG PRO A 47 -11.286 8.313 -6.231 1.00 0.00 C ATOM 736 CD PRO A 47 -12.244 7.150 -6.531 1.00 0.00 C ATOM 0 HA PRO A 47 -12.908 9.218 -8.971 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.237 9.354 -7.852 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -11.635 10.223 -7.251 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.287 7.939 -6.006 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.622 8.872 -5.357 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.732 6.190 -6.460 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -13.068 7.125 -5.818 1.00 0.00 H new ATOM 744 N VAL A 48 -11.631 8.533 -10.927 1.00 0.00 N ATOM 745 CA VAL A 48 -10.820 8.160 -12.109 1.00 0.00 C ATOM 746 C VAL A 48 -9.616 9.079 -12.254 1.00 0.00 C ATOM 747 O VAL A 48 -9.728 10.281 -12.116 1.00 0.00 O ATOM 748 CB VAL A 48 -11.702 8.290 -13.362 1.00 0.00 C ATOM 749 CG1 VAL A 48 -11.984 9.769 -13.636 1.00 0.00 C ATOM 750 CG2 VAL A 48 -10.963 7.692 -14.557 1.00 0.00 C ATOM 0 H VAL A 48 -12.461 9.093 -11.122 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.462 7.138 -11.987 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.642 7.762 -13.204 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.609 9.862 -14.524 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.501 10.205 -12.781 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.043 10.295 -13.798 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.583 7.781 -15.449 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.026 8.228 -14.711 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.752 6.640 -14.365 1.00 0.00 H new ATOM 760 N GLY A 49 -8.479 8.497 -12.526 1.00 0.00 N ATOM 761 CA GLY A 49 -7.252 9.332 -12.684 1.00 0.00 C ATOM 762 C GLY A 49 -6.616 9.647 -11.322 1.00 0.00 C ATOM 763 O GLY A 49 -6.599 10.785 -10.892 1.00 0.00 O ATOM 0 H GLY A 49 -8.346 7.493 -12.645 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.531 8.809 -13.313 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.505 10.262 -13.194 1.00 0.00 H new ATOM 767 N VAL A 50 -6.110 8.629 -10.674 1.00 0.00 N ATOM 768 CA VAL A 50 -5.472 8.840 -9.345 1.00 0.00 C ATOM 769 C VAL A 50 -4.236 7.962 -9.215 1.00 0.00 C ATOM 770 O VAL A 50 -3.239 8.369 -8.637 1.00 0.00 O ATOM 771 CB VAL A 50 -6.477 8.467 -8.245 1.00 0.00 C ATOM 772 CG1 VAL A 50 -5.805 8.606 -6.878 1.00 0.00 C ATOM 773 CG2 VAL A 50 -7.671 9.418 -8.315 1.00 0.00 C ATOM 0 H VAL A 50 -6.112 7.665 -11.008 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.178 9.885 -9.246 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.813 7.440 -8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.516 8.342 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.944 7.940 -6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.476 9.636 -6.737 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.389 9.159 -7.537 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.329 10.442 -8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.148 9.332 -9.291 1.00 0.00 H new ATOM 783 N PHE A 51 -4.336 6.760 -9.757 1.00 0.00 N ATOM 784 CA PHE A 51 -3.189 5.804 -9.699 1.00 0.00 C ATOM 785 C PHE A 51 -2.788 5.387 -11.113 1.00 0.00 C ATOM 786 O PHE A 51 -3.637 5.199 -11.964 1.00 0.00 O ATOM 787 CB PHE A 51 -3.624 4.525 -8.946 1.00 0.00 C ATOM 788 CG PHE A 51 -3.709 4.787 -7.442 1.00 0.00 C ATOM 789 CD1 PHE A 51 -4.882 5.256 -6.875 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.630 4.510 -6.621 1.00 0.00 C ATOM 791 CE1 PHE A 51 -4.971 5.441 -5.510 1.00 0.00 C ATOM 792 CE2 PHE A 51 -2.723 4.695 -5.259 1.00 0.00 C ATOM 793 CZ PHE A 51 -3.893 5.159 -4.704 1.00 0.00 C ATOM 0 H PHE A 51 -5.166 6.408 -10.235 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.356 6.292 -9.193 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.592 4.190 -9.317 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.913 3.722 -9.141 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.731 5.478 -7.504 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.709 4.146 -7.051 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.889 5.808 -5.074 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.876 4.475 -4.626 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.965 5.302 -3.636 1.00 0.00 H new ATOM 803 N ILE A 52 -1.507 5.257 -11.343 1.00 0.00 N ATOM 804 CA ILE A 52 -1.041 4.850 -12.700 1.00 0.00 C ATOM 805 C ILE A 52 0.118 3.878 -12.597 1.00 0.00 C ATOM 806 O ILE A 52 1.109 4.159 -11.956 1.00 0.00 O ATOM 807 CB ILE A 52 -0.581 6.092 -13.479 1.00 0.00 C ATOM 808 CG1 ILE A 52 0.192 7.051 -12.561 1.00 0.00 C ATOM 809 CG2 ILE A 52 -1.825 6.809 -14.042 1.00 0.00 C ATOM 810 CD1 ILE A 52 -0.769 8.029 -11.867 1.00 0.00 C ATOM 0 H ILE A 52 -0.770 5.414 -10.656 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.868 4.365 -13.218 1.00 0.00 H new ATOM 0 HB ILE A 52 0.080 5.784 -14.289 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.743 6.481 -11.812 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.927 7.607 -13.143 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.515 7.694 -14.598 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.365 6.134 -14.706 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.476 7.107 -13.220 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.202 8.700 -11.221 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.300 8.612 -12.619 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.487 7.470 -11.268 1.00 0.00 H new ATOM 822 N ILE A 53 -0.033 2.745 -13.241 1.00 0.00 N ATOM 823 CA ILE A 53 1.044 1.719 -13.206 1.00 0.00 C ATOM 824 C ILE A 53 1.690 1.554 -14.572 1.00 0.00 C ATOM 825 O ILE A 53 1.014 1.496 -15.580 1.00 0.00 O ATOM 826 CB ILE A 53 0.403 0.383 -12.769 1.00 0.00 C ATOM 827 CG1 ILE A 53 1.364 -0.399 -11.873 1.00 0.00 C ATOM 828 CG2 ILE A 53 0.049 -0.474 -14.020 1.00 0.00 C ATOM 829 CD1 ILE A 53 2.425 -1.115 -12.718 1.00 0.00 C ATOM 0 H ILE A 53 -0.856 2.491 -13.787 1.00 0.00 H new ATOM 0 HA ILE A 53 1.823 2.028 -12.509 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.507 0.603 -12.211 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.848 0.279 -11.170 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.808 -1.128 -11.283 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.402 -1.414 -13.701 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.655 0.072 -14.648 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.956 -0.681 -14.588 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.100 -1.666 -12.064 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.937 -1.808 -13.403 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.993 -0.380 -13.289 1.00 0.00 H new ATOM 841 N GLU A 54 2.989 1.487 -14.582 1.00 0.00 N ATOM 842 CA GLU A 54 3.696 1.325 -15.867 1.00 0.00 C ATOM 843 C GLU A 54 3.659 -0.138 -16.297 1.00 0.00 C ATOM 844 O GLU A 54 4.309 -0.975 -15.712 1.00 0.00 O ATOM 845 CB GLU A 54 5.156 1.757 -15.669 1.00 0.00 C ATOM 846 CG GLU A 54 5.888 1.695 -17.009 1.00 0.00 C ATOM 847 CD GLU A 54 5.098 2.481 -18.058 1.00 0.00 C ATOM 848 OE1 GLU A 54 5.210 3.695 -18.023 1.00 0.00 O ATOM 849 OE2 GLU A 54 4.426 1.822 -18.835 1.00 0.00 O ATOM 0 H GLU A 54 3.586 1.538 -13.756 1.00 0.00 H new ATOM 0 HA GLU A 54 3.217 1.933 -16.635 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.196 2.769 -15.266 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.645 1.106 -14.944 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.891 2.110 -16.907 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.002 0.658 -17.326 1.00 0.00 H new ATOM 856 N ARG A 55 2.892 -0.417 -17.310 1.00 0.00 N ATOM 857 CA ARG A 55 2.797 -1.820 -17.792 1.00 0.00 C ATOM 858 C ARG A 55 4.163 -2.372 -18.193 1.00 0.00 C ATOM 859 O ARG A 55 4.325 -3.568 -18.340 1.00 0.00 O ATOM 860 CB ARG A 55 1.882 -1.845 -19.026 1.00 0.00 C ATOM 861 CG ARG A 55 2.532 -1.035 -20.148 1.00 0.00 C ATOM 862 CD ARG A 55 1.649 -1.107 -21.395 1.00 0.00 C ATOM 863 NE ARG A 55 2.117 -0.089 -22.376 1.00 0.00 N ATOM 864 CZ ARG A 55 2.789 -0.474 -23.427 1.00 0.00 C ATOM 865 NH1 ARG A 55 3.930 -1.085 -23.256 1.00 0.00 N ATOM 866 NH2 ARG A 55 2.298 -0.235 -24.612 1.00 0.00 N ATOM 0 H ARG A 55 2.329 0.262 -17.823 1.00 0.00 H new ATOM 0 HA ARG A 55 2.402 -2.436 -16.985 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.717 -2.872 -19.351 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.906 -1.428 -18.779 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.660 0.002 -19.837 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.525 -1.427 -20.368 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.697 -2.104 -21.834 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.607 -0.925 -21.131 1.00 0.00 H new ATOM 0 HE ARG A 55 1.914 0.900 -22.228 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.282 -1.254 -22.314 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.470 -1.393 -24.065 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.403 0.245 -24.706 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.809 -0.528 -25.444 1.00 0.00 H new ATOM 880 N GLU A 56 5.122 -1.498 -18.354 1.00 0.00 N ATOM 881 CA GLU A 56 6.476 -1.971 -18.746 1.00 0.00 C ATOM 882 C GLU A 56 7.359 -2.229 -17.525 1.00 0.00 C ATOM 883 O GLU A 56 7.711 -3.357 -17.242 1.00 0.00 O ATOM 884 CB GLU A 56 7.137 -0.885 -19.611 1.00 0.00 C ATOM 885 CG GLU A 56 6.382 -0.768 -20.937 1.00 0.00 C ATOM 886 CD GLU A 56 7.165 0.142 -21.885 1.00 0.00 C ATOM 887 OE1 GLU A 56 7.547 1.205 -21.422 1.00 0.00 O ATOM 888 OE2 GLU A 56 7.337 -0.275 -23.019 1.00 0.00 O ATOM 0 H GLU A 56 5.026 -0.490 -18.232 1.00 0.00 H new ATOM 0 HA GLU A 56 6.370 -2.908 -19.293 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.126 0.071 -19.087 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.182 -1.136 -19.795 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.254 -1.754 -21.384 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.385 -0.363 -20.766 1.00 0.00 H new ATOM 895 N THR A 57 7.703 -1.181 -16.824 1.00 0.00 N ATOM 896 CA THR A 57 8.564 -1.358 -15.622 1.00 0.00 C ATOM 897 C THR A 57 7.751 -1.799 -14.409 1.00 0.00 C ATOM 898 O THR A 57 8.303 -2.218 -13.412 1.00 0.00 O ATOM 899 CB THR A 57 9.228 -0.014 -15.303 1.00 0.00 C ATOM 900 OG1 THR A 57 8.187 0.814 -14.823 1.00 0.00 O ATOM 901 CG2 THR A 57 9.712 0.678 -16.585 1.00 0.00 C ATOM 0 H THR A 57 7.428 -0.221 -17.030 1.00 0.00 H new ATOM 0 HA THR A 57 9.304 -2.129 -15.836 1.00 0.00 H new ATOM 0 HB THR A 57 10.061 -0.169 -14.617 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.449 1.754 -14.913 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.179 1.629 -16.331 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.438 0.041 -17.091 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.863 0.856 -17.245 1.00 0.00 H new ATOM 909 N GLY A 58 6.459 -1.698 -14.514 1.00 0.00 N ATOM 910 CA GLY A 58 5.598 -2.111 -13.366 1.00 0.00 C ATOM 911 C GLY A 58 5.704 -1.088 -12.231 1.00 0.00 C ATOM 912 O GLY A 58 5.391 -1.380 -11.091 1.00 0.00 O ATOM 0 H GLY A 58 5.962 -1.352 -15.334 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.561 -2.197 -13.692 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.903 -3.095 -13.009 1.00 0.00 H new ATOM 916 N TRP A 59 6.158 0.089 -12.572 1.00 0.00 N ATOM 917 CA TRP A 59 6.298 1.151 -11.545 1.00 0.00 C ATOM 918 C TRP A 59 4.937 1.735 -11.179 1.00 0.00 C ATOM 919 O TRP A 59 4.245 2.263 -12.027 1.00 0.00 O ATOM 920 CB TRP A 59 7.167 2.275 -12.137 1.00 0.00 C ATOM 921 CG TRP A 59 8.555 2.241 -11.497 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.661 1.872 -12.126 1.00 0.00 C ATOM 923 CD2 TRP A 59 8.808 2.580 -10.259 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.619 2.007 -11.191 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.153 2.456 -9.967 1.00 0.00 C ATOM 926 CE3 TRP A 59 7.930 3.017 -9.289 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.618 2.770 -8.707 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.395 3.332 -8.028 1.00 0.00 C ATOM 929 CH2 TRP A 59 9.739 3.209 -7.737 1.00 0.00 C ATOM 0 H TRP A 59 6.436 0.356 -13.516 1.00 0.00 H new ATOM 0 HA TRP A 59 6.750 0.725 -10.649 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.250 2.154 -13.217 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.698 3.243 -11.960 1.00 0.00 H new ATOM 0 HD1 TRP A 59 9.768 1.541 -13.148 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.601 1.797 -11.368 1.00 0.00 H new ATOM 0 HE3 TRP A 59 6.879 3.113 -9.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.669 2.673 -8.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 7.707 3.675 -7.269 1.00 0.00 H new ATOM 0 HH2 TRP A 59 10.103 3.456 -6.751 1.00 0.00 H new ATOM 940 N LEU A 60 4.569 1.633 -9.921 1.00 0.00 N ATOM 941 CA LEU A 60 3.252 2.187 -9.511 1.00 0.00 C ATOM 942 C LEU A 60 3.403 3.622 -9.037 1.00 0.00 C ATOM 943 O LEU A 60 4.017 3.883 -8.013 1.00 0.00 O ATOM 944 CB LEU A 60 2.673 1.344 -8.353 1.00 0.00 C ATOM 945 CG LEU A 60 1.132 1.289 -8.477 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.532 0.774 -7.170 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.578 2.696 -8.745 1.00 0.00 C ATOM 0 H LEU A 60 5.117 1.198 -9.179 1.00 0.00 H new ATOM 0 HA LEU A 60 2.583 2.158 -10.371 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.087 0.336 -8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.956 1.779 -7.395 1.00 0.00 H new ATOM 0 HG LEU A 60 0.870 0.624 -9.300 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.554 0.736 -7.258 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.915 -0.225 -6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.806 1.444 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.508 2.649 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.849 3.357 -7.921 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.999 3.082 -9.673 1.00 0.00 H new ATOM 959 N LYS A 61 2.840 4.526 -9.798 1.00 0.00 N ATOM 960 CA LYS A 61 2.920 5.963 -9.439 1.00 0.00 C ATOM 961 C LYS A 61 1.540 6.509 -9.151 1.00 0.00 C ATOM 962 O LYS A 61 0.549 5.921 -9.539 1.00 0.00 O ATOM 963 CB LYS A 61 3.513 6.737 -10.630 1.00 0.00 C ATOM 964 CG LYS A 61 4.260 5.765 -11.541 1.00 0.00 C ATOM 965 CD LYS A 61 4.837 6.538 -12.729 1.00 0.00 C ATOM 966 CE LYS A 61 3.863 6.451 -13.906 1.00 0.00 C ATOM 967 NZ LYS A 61 4.241 7.426 -14.969 1.00 0.00 N ATOM 0 H LYS A 61 2.327 4.323 -10.656 1.00 0.00 H new ATOM 0 HA LYS A 61 3.544 6.075 -8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.719 7.237 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.190 7.513 -10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.060 5.271 -10.989 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.585 4.984 -11.892 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.003 7.580 -12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.805 6.125 -13.011 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.865 5.440 -14.314 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.849 6.654 -13.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.570 7.354 -15.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.216 8.390 -14.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.201 7.214 -15.309 1.00 0.00 H new ATOM 981 N VAL A 62 1.498 7.618 -8.461 1.00 0.00 N ATOM 982 CA VAL A 62 0.184 8.231 -8.128 1.00 0.00 C ATOM 983 C VAL A 62 0.086 9.642 -8.678 1.00 0.00 C ATOM 984 O VAL A 62 1.038 10.401 -8.633 1.00 0.00 O ATOM 985 CB VAL A 62 0.042 8.287 -6.598 1.00 0.00 C ATOM 986 CG1 VAL A 62 -0.234 6.878 -6.071 1.00 0.00 C ATOM 987 CG2 VAL A 62 1.341 8.812 -5.983 1.00 0.00 C ATOM 0 H VAL A 62 2.315 8.122 -8.116 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.607 7.627 -8.573 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.780 8.951 -6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.336 6.909 -4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.156 6.499 -6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.593 6.221 -6.339 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.240 8.852 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.163 8.147 -6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.546 9.812 -6.365 1.00 0.00 H new ATOM 997 N THR A 63 -1.067 9.965 -9.195 1.00 0.00 N ATOM 998 CA THR A 63 -1.265 11.314 -9.756 1.00 0.00 C ATOM 999 C THR A 63 -1.759 12.248 -8.673 1.00 0.00 C ATOM 1000 O THR A 63 -1.565 13.446 -8.744 1.00 0.00 O ATOM 1001 CB THR A 63 -2.327 11.234 -10.856 1.00 0.00 C ATOM 1002 OG1 THR A 63 -2.707 9.874 -10.915 1.00 0.00 O ATOM 1003 CG2 THR A 63 -1.714 11.524 -12.233 1.00 0.00 C ATOM 0 H THR A 63 -1.876 9.347 -9.249 1.00 0.00 H new ATOM 0 HA THR A 63 -0.323 11.686 -10.158 1.00 0.00 H new ATOM 0 HB THR A 63 -3.131 11.938 -10.641 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.392 9.755 -11.605 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.489 11.461 -12.997 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.283 12.525 -12.236 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.935 10.792 -12.446 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.399 11.675 -7.680 1.00 0.00 N ATOM 1012 CA GLN A 64 -2.922 12.510 -6.565 1.00 0.00 C ATOM 1013 C GLN A 64 -2.697 11.803 -5.211 1.00 0.00 C ATOM 1014 O GLN A 64 -2.965 10.626 -5.079 1.00 0.00 O ATOM 1015 CB GLN A 64 -4.433 12.701 -6.778 1.00 0.00 C ATOM 1016 CG GLN A 64 -4.656 13.793 -7.827 1.00 0.00 C ATOM 1017 CD GLN A 64 -6.158 13.996 -8.036 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -6.831 14.612 -7.235 1.00 0.00 O ATOM 1019 NE2 GLN A 64 -6.723 13.496 -9.103 1.00 0.00 N ATOM 0 H GLN A 64 -2.578 10.674 -7.598 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.402 13.468 -6.553 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.888 11.766 -7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.913 12.977 -5.839 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.193 14.725 -7.502 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.181 13.512 -8.767 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.164 12.977 -9.780 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.723 13.624 -9.258 1.00 0.00 H new ATOM 1028 N PRO A 65 -2.199 12.542 -4.217 1.00 0.00 N ATOM 1029 CA PRO A 65 -1.949 11.968 -2.893 1.00 0.00 C ATOM 1030 C PRO A 65 -3.225 11.412 -2.279 1.00 0.00 C ATOM 1031 O PRO A 65 -4.309 11.670 -2.763 1.00 0.00 O ATOM 1032 CB PRO A 65 -1.444 13.146 -2.037 1.00 0.00 C ATOM 1033 CG PRO A 65 -1.457 14.418 -2.938 1.00 0.00 C ATOM 1034 CD PRO A 65 -1.872 13.972 -4.349 1.00 0.00 C ATOM 0 HA PRO A 65 -1.238 11.144 -2.950 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.082 13.287 -1.165 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.438 12.948 -1.667 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.155 15.159 -2.548 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.473 14.886 -2.957 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.730 14.542 -4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.065 14.128 -5.065 1.00 0.00 H new ATOM 1042 N LEU A 66 -3.080 10.652 -1.219 1.00 0.00 N ATOM 1043 CA LEU A 66 -4.287 10.082 -0.575 1.00 0.00 C ATOM 1044 C LEU A 66 -4.799 11.004 0.515 1.00 0.00 C ATOM 1045 O LEU A 66 -4.147 11.967 0.870 1.00 0.00 O ATOM 1046 CB LEU A 66 -3.916 8.734 0.057 1.00 0.00 C ATOM 1047 CG LEU A 66 -3.264 7.835 -0.996 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -3.469 6.375 -0.592 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -3.918 8.073 -2.359 1.00 0.00 C ATOM 0 H LEU A 66 -2.190 10.409 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.065 9.959 -1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.232 8.888 0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.807 8.252 0.460 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.200 8.064 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.009 5.724 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.009 6.198 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.536 6.160 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.450 7.430 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.982 7.842 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.789 9.116 -2.647 1.00 0.00 H new ATOM 1061 N ASP A 67 -5.970 10.695 1.017 1.00 0.00 N ATOM 1062 CA ASP A 67 -6.563 11.533 2.090 1.00 0.00 C ATOM 1063 C ASP A 67 -7.087 10.662 3.222 1.00 0.00 C ATOM 1064 O ASP A 67 -8.169 10.122 3.143 1.00 0.00 O ATOM 1065 CB ASP A 67 -7.734 12.327 1.496 1.00 0.00 C ATOM 1066 CG ASP A 67 -8.468 13.052 2.621 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -7.977 12.954 3.734 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -9.474 13.664 2.307 1.00 0.00 O ATOM 0 H ASP A 67 -6.536 9.898 0.726 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.798 12.202 2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.368 13.045 0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.416 11.657 0.973 1.00 0.00 H new ATOM 1073 N ARG A 68 -6.306 10.544 4.259 1.00 0.00 N ATOM 1074 CA ARG A 68 -6.738 9.712 5.407 1.00 0.00 C ATOM 1075 C ARG A 68 -8.124 10.118 5.897 1.00 0.00 C ATOM 1076 O ARG A 68 -8.880 9.292 6.369 1.00 0.00 O ATOM 1077 CB ARG A 68 -5.733 9.907 6.552 1.00 0.00 C ATOM 1078 CG ARG A 68 -5.521 8.568 7.258 1.00 0.00 C ATOM 1079 CD ARG A 68 -5.215 8.821 8.733 1.00 0.00 C ATOM 1080 NE ARG A 68 -6.496 9.044 9.463 1.00 0.00 N ATOM 1081 CZ ARG A 68 -6.465 9.410 10.715 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -5.574 8.877 11.507 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -7.327 10.295 11.136 1.00 0.00 N ATOM 0 H ARG A 68 -5.392 10.987 4.358 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.778 8.670 5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.786 10.282 6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.105 10.650 7.257 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.411 7.947 7.160 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.700 8.024 6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.682 7.970 9.158 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.565 9.690 8.839 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.389 8.912 8.988 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.917 8.186 11.144 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.535 9.151 12.489 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.011 10.689 10.489 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.317 10.593 12.112 1.00 0.00 H new ATOM 1097 N GLU A 69 -8.438 11.380 5.779 1.00 0.00 N ATOM 1098 CA GLU A 69 -9.773 11.838 6.239 1.00 0.00 C ATOM 1099 C GLU A 69 -10.871 11.314 5.323 1.00 0.00 C ATOM 1100 O GLU A 69 -12.005 11.163 5.733 1.00 0.00 O ATOM 1101 CB GLU A 69 -9.802 13.374 6.218 1.00 0.00 C ATOM 1102 CG GLU A 69 -8.998 13.907 7.403 1.00 0.00 C ATOM 1103 CD GLU A 69 -9.749 13.600 8.701 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -10.872 13.137 8.579 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -9.159 13.843 9.739 1.00 0.00 O ATOM 0 H GLU A 69 -7.834 12.103 5.389 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.947 11.460 7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.383 13.745 5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.830 13.731 6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.010 13.447 7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.848 14.982 7.302 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.517 11.045 4.097 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.532 10.530 3.146 1.00 0.00 C ATOM 1114 C ALA A 70 -11.562 9.007 3.163 1.00 0.00 C ATOM 1115 O ALA A 70 -12.616 8.405 3.091 1.00 0.00 O ATOM 1116 CB ALA A 70 -11.157 11.004 1.734 1.00 0.00 C ATOM 0 H ALA A 70 -9.577 11.159 3.718 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.515 10.902 3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.892 10.635 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.141 12.094 1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.171 10.620 1.471 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.402 8.410 3.256 1.00 0.00 N ATOM 1123 CA ILE A 71 -10.345 6.925 3.279 1.00 0.00 C ATOM 1124 C ILE A 71 -9.221 6.440 4.187 1.00 0.00 C ATOM 1125 O ILE A 71 -8.617 7.218 4.898 1.00 0.00 O ATOM 1126 CB ILE A 71 -10.076 6.426 1.858 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.046 7.084 0.886 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -10.306 4.905 1.821 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -10.724 6.620 -0.537 1.00 0.00 C ATOM 0 H ILE A 71 -9.501 8.885 3.316 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.293 6.541 3.657 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.052 6.671 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.072 6.821 1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.968 8.169 0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -10.118 4.533 0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.627 4.417 2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -11.336 4.686 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.416 7.088 -1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -9.703 6.905 -0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.824 5.536 -0.598 1.00 0.00 H new ATOM 1141 N ALA A 72 -8.966 5.161 4.146 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.886 4.599 4.998 1.00 0.00 C ATOM 1143 C ALA A 72 -7.156 3.482 4.263 1.00 0.00 C ATOM 1144 O ALA A 72 -6.048 3.123 4.610 1.00 0.00 O ATOM 1145 CB ALA A 72 -8.526 4.021 6.271 1.00 0.00 C ATOM 0 H ALA A 72 -9.458 4.485 3.561 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.172 5.385 5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.749 3.603 6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.050 4.813 6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.233 3.237 5.999 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.794 2.954 3.256 1.00 0.00 N ATOM 1152 CA LYS A 73 -7.166 1.861 2.477 1.00 0.00 C ATOM 1153 C LYS A 73 -7.745 1.818 1.067 1.00 0.00 C ATOM 1154 O LYS A 73 -8.942 1.711 0.890 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.463 0.529 3.182 1.00 0.00 C ATOM 1156 CG LYS A 73 -7.290 -0.619 2.184 1.00 0.00 C ATOM 1157 CD LYS A 73 -7.351 -1.952 2.933 1.00 0.00 C ATOM 1158 CE LYS A 73 -7.947 -3.019 2.012 1.00 0.00 C ATOM 1159 NZ LYS A 73 -9.423 -2.843 1.897 1.00 0.00 N ATOM 0 H LYS A 73 -8.723 3.235 2.942 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.091 2.031 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.791 0.395 4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.478 0.532 3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.072 -0.578 1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.337 -0.524 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.353 -2.248 3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.958 -1.850 3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.489 -2.953 1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.722 -4.012 2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.734 -3.128 0.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.899 -3.434 2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.667 -1.845 2.056 1.00 0.00 H new ATOM 1173 N TYR A 74 -6.880 1.900 0.090 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.355 1.868 -1.316 1.00 0.00 C ATOM 1175 C TYR A 74 -7.193 0.482 -1.929 1.00 0.00 C ATOM 1176 O TYR A 74 -6.170 -0.162 -1.764 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.500 2.852 -2.135 1.00 0.00 C ATOM 1178 CG TYR A 74 -6.833 4.293 -1.735 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.648 4.727 -0.437 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.311 5.186 -2.674 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -6.934 6.029 -0.085 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.595 6.489 -2.321 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.410 6.920 -1.024 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.698 8.221 -0.671 1.00 0.00 O ATOM 0 H TYR A 74 -5.871 1.987 0.208 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.412 2.136 -1.330 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.441 2.654 -1.967 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.685 2.709 -3.200 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.276 4.040 0.309 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.464 4.862 -3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.784 6.354 0.934 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.965 7.177 -3.066 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.266 8.225 0.128 1.00 0.00 H new ATOM 1194 N ILE A 75 -8.215 0.051 -2.628 1.00 0.00 N ATOM 1195 CA ILE A 75 -8.166 -1.285 -3.273 1.00 0.00 C ATOM 1196 C ILE A 75 -7.934 -1.120 -4.769 1.00 0.00 C ATOM 1197 O ILE A 75 -8.445 -0.194 -5.370 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.509 -1.983 -3.056 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -9.961 -1.799 -1.614 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.328 -3.486 -3.325 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -11.330 -2.455 -1.429 1.00 0.00 C ATOM 0 H ILE A 75 -9.079 0.572 -2.776 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.357 -1.873 -2.840 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.254 -1.557 -3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.236 -2.245 -0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.017 -0.738 -1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.278 -4.000 -3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.994 -3.634 -4.352 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.584 -3.891 -2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.659 -2.326 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.051 -1.988 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.258 -3.518 -1.657 1.00 0.00 H new ATOM 1213 N LEU A 76 -7.167 -2.009 -5.346 1.00 0.00 N ATOM 1214 CA LEU A 76 -6.899 -1.901 -6.810 1.00 0.00 C ATOM 1215 C LEU A 76 -6.900 -3.267 -7.480 1.00 0.00 C ATOM 1216 O LEU A 76 -6.703 -4.273 -6.836 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.500 -1.276 -6.985 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.557 -0.145 -8.011 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -6.292 1.058 -7.407 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -4.122 0.264 -8.367 1.00 0.00 C ATOM 0 H LEU A 76 -6.720 -2.795 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.680 -1.294 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.142 -0.893 -6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.791 -2.037 -7.310 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.086 -0.478 -8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.333 1.865 -8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.306 0.765 -7.133 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.761 1.400 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.145 1.071 -9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.607 0.604 -7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.593 -0.592 -8.787 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.139 -3.264 -8.771 1.00 0.00 N ATOM 1233 CA TYR A 77 -7.160 -4.541 -9.534 1.00 0.00 C ATOM 1234 C TYR A 77 -6.128 -4.455 -10.643 1.00 0.00 C ATOM 1235 O TYR A 77 -6.072 -3.464 -11.345 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.556 -4.727 -10.152 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.526 -5.188 -9.063 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -9.991 -4.297 -8.117 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -9.944 -6.503 -9.006 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -10.857 -4.715 -7.127 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -10.812 -6.919 -8.017 1.00 0.00 C ATOM 1242 CZ TYR A 77 -11.274 -6.029 -7.069 1.00 0.00 C ATOM 1243 OH TYR A 77 -12.139 -6.445 -6.077 1.00 0.00 O ATOM 0 H TYR A 77 -7.320 -2.427 -9.325 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.934 -5.382 -8.878 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.901 -3.791 -10.591 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.517 -5.461 -10.956 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.675 -3.265 -8.152 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.589 -7.211 -9.741 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.211 -4.008 -6.392 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.132 -7.950 -7.985 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.329 -7.400 -6.188 1.00 0.00 H new ATOM 1253 N SER A 78 -5.322 -5.489 -10.787 1.00 0.00 N ATOM 1254 CA SER A 78 -4.285 -5.455 -11.860 1.00 0.00 C ATOM 1255 C SER A 78 -4.326 -6.681 -12.760 1.00 0.00 C ATOM 1256 O SER A 78 -4.867 -7.721 -12.406 1.00 0.00 O ATOM 1257 CB SER A 78 -2.906 -5.387 -11.191 1.00 0.00 C ATOM 1258 OG SER A 78 -2.635 -6.730 -10.817 1.00 0.00 O ATOM 0 H SER A 78 -5.341 -6.335 -10.217 1.00 0.00 H new ATOM 0 HA SER A 78 -4.482 -4.584 -12.485 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.149 -5.004 -11.876 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.916 -4.726 -10.324 1.00 0.00 H new ATOM 0 HG SER A 78 -1.760 -6.777 -10.378 1.00 0.00 H new ATOM 1264 N HIS A 79 -3.735 -6.517 -13.921 1.00 0.00 N ATOM 1265 CA HIS A 79 -3.684 -7.614 -14.914 1.00 0.00 C ATOM 1266 C HIS A 79 -2.264 -7.748 -15.462 1.00 0.00 C ATOM 1267 O HIS A 79 -1.534 -6.777 -15.515 1.00 0.00 O ATOM 1268 CB HIS A 79 -4.632 -7.253 -16.067 1.00 0.00 C ATOM 1269 CG HIS A 79 -5.957 -6.760 -15.487 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -7.059 -7.324 -15.644 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.216 -5.659 -14.695 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -7.987 -6.705 -15.042 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.544 -5.622 -14.404 1.00 0.00 N ATOM 0 H HIS A 79 -3.282 -5.653 -14.217 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.978 -8.555 -14.449 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.185 -6.481 -16.694 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.800 -8.122 -16.703 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.196 -8.176 -16.188 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.481 -4.942 -14.360 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.020 -7.020 -15.046 1.00 0.00 H new ATOM 1281 N ALA A 80 -1.895 -8.949 -15.856 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.517 -9.160 -16.403 1.00 0.00 C ATOM 1283 C ALA A 80 -0.544 -9.712 -17.832 1.00 0.00 C ATOM 1284 O ALA A 80 -1.381 -10.522 -18.177 1.00 0.00 O ATOM 1285 CB ALA A 80 0.199 -10.180 -15.500 1.00 0.00 C ATOM 0 H ALA A 80 -2.483 -9.782 -15.822 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.002 -8.199 -16.424 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.207 -10.353 -15.875 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.252 -9.791 -14.483 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.355 -11.119 -15.501 1.00 0.00 H new ATOM 1291 N VAL A 81 0.385 -9.255 -18.636 1.00 0.00 N ATOM 1292 CA VAL A 81 0.443 -9.735 -20.050 1.00 0.00 C ATOM 1293 C VAL A 81 1.887 -9.946 -20.470 1.00 0.00 C ATOM 1294 O VAL A 81 2.707 -9.071 -20.324 1.00 0.00 O ATOM 1295 CB VAL A 81 -0.186 -8.680 -20.966 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.671 -8.993 -21.151 1.00 0.00 C ATOM 1297 CG2 VAL A 81 -0.037 -7.296 -20.332 1.00 0.00 C ATOM 0 H VAL A 81 1.100 -8.576 -18.376 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.100 -10.677 -20.128 1.00 0.00 H new ATOM 0 HB VAL A 81 0.317 -8.693 -21.933 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.122 -8.244 -21.802 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.782 -9.980 -21.601 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.169 -8.978 -20.182 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.485 -6.547 -20.985 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.540 -7.283 -19.365 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.021 -7.071 -20.194 1.00 0.00 H new ATOM 1307 N SER A 82 2.171 -11.095 -21.010 1.00 0.00 N ATOM 1308 CA SER A 82 3.568 -11.364 -21.440 1.00 0.00 C ATOM 1309 C SER A 82 4.033 -10.357 -22.482 1.00 0.00 C ATOM 1310 O SER A 82 3.418 -10.196 -23.517 1.00 0.00 O ATOM 1311 CB SER A 82 3.639 -12.766 -22.048 1.00 0.00 C ATOM 1312 OG SER A 82 2.846 -12.674 -23.221 1.00 0.00 O ATOM 0 H SER A 82 1.506 -11.851 -21.171 1.00 0.00 H new ATOM 0 HA SER A 82 4.216 -11.283 -20.567 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.666 -13.048 -22.282 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.250 -13.518 -21.362 1.00 0.00 H new ATOM 0 HG SER A 82 1.968 -12.303 -22.994 1.00 0.00 H new ATOM 1318 N SER A 83 5.125 -9.702 -22.189 1.00 0.00 N ATOM 1319 CA SER A 83 5.655 -8.700 -23.143 1.00 0.00 C ATOM 1320 C SER A 83 5.892 -9.323 -24.510 1.00 0.00 C ATOM 1321 O SER A 83 6.344 -8.663 -25.425 1.00 0.00 O ATOM 1322 CB SER A 83 6.994 -8.180 -22.600 1.00 0.00 C ATOM 1323 OG SER A 83 7.163 -6.923 -23.236 1.00 0.00 O ATOM 0 H SER A 83 5.667 -9.820 -21.333 1.00 0.00 H new ATOM 0 HA SER A 83 4.931 -7.892 -23.250 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.971 -8.077 -21.515 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.812 -8.860 -22.839 1.00 0.00 H new ATOM 0 HG SER A 83 6.725 -6.226 -22.704 1.00 0.00 H new ATOM 1329 N ASN A 84 5.585 -10.586 -24.630 1.00 0.00 N ATOM 1330 CA ASN A 84 5.790 -11.258 -25.935 1.00 0.00 C ATOM 1331 C ASN A 84 4.554 -11.107 -26.809 1.00 0.00 C ATOM 1332 O ASN A 84 4.655 -11.042 -28.019 1.00 0.00 O ATOM 1333 CB ASN A 84 6.057 -12.758 -25.685 1.00 0.00 C ATOM 1334 CG ASN A 84 4.733 -13.490 -25.423 1.00 0.00 C ATOM 1335 OD1 ASN A 84 3.858 -13.540 -26.264 1.00 0.00 O ATOM 1336 ND2 ASN A 84 4.554 -14.079 -24.274 1.00 0.00 N ATOM 0 H ASN A 84 5.205 -11.173 -23.887 1.00 0.00 H new ATOM 0 HA ASN A 84 6.638 -10.801 -26.445 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.559 -13.195 -26.548 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.725 -12.880 -24.832 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.684 -14.577 -24.086 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.284 -14.042 -23.563 1.00 0.00 H new ATOM 1343 N GLY A 85 3.408 -11.049 -26.174 1.00 0.00 N ATOM 1344 CA GLY A 85 2.135 -10.900 -26.945 1.00 0.00 C ATOM 1345 C GLY A 85 1.105 -11.939 -26.492 1.00 0.00 C ATOM 1346 O GLY A 85 0.169 -12.231 -27.210 1.00 0.00 O ATOM 0 H GLY A 85 3.300 -11.098 -25.161 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.733 -9.897 -26.804 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.333 -11.017 -28.010 1.00 0.00 H new ATOM 1350 N GLU A 86 1.303 -12.474 -25.306 1.00 0.00 N ATOM 1351 CA GLU A 86 0.350 -13.495 -24.781 1.00 0.00 C ATOM 1352 C GLU A 86 -0.263 -13.041 -23.464 1.00 0.00 C ATOM 1353 O GLU A 86 0.433 -12.607 -22.561 1.00 0.00 O ATOM 1354 CB GLU A 86 1.115 -14.806 -24.542 1.00 0.00 C ATOM 1355 CG GLU A 86 1.445 -15.447 -25.892 1.00 0.00 C ATOM 1356 CD GLU A 86 0.209 -16.175 -26.419 1.00 0.00 C ATOM 1357 OE1 GLU A 86 -0.819 -16.029 -25.778 1.00 0.00 O ATOM 1358 OE2 GLU A 86 0.363 -16.839 -27.430 1.00 0.00 O ATOM 0 H GLU A 86 2.080 -12.246 -24.686 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.449 -13.636 -25.509 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.031 -14.610 -23.985 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.514 -15.487 -23.939 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.763 -14.684 -26.602 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.274 -16.146 -25.783 1.00 0.00 H new ATOM 1365 N ALA A 87 -1.558 -13.150 -23.379 1.00 0.00 N ATOM 1366 CA ALA A 87 -2.247 -12.734 -22.139 1.00 0.00 C ATOM 1367 C ALA A 87 -1.950 -13.692 -20.992 1.00 0.00 C ATOM 1368 O ALA A 87 -2.150 -14.886 -21.107 1.00 0.00 O ATOM 1369 CB ALA A 87 -3.760 -12.742 -22.406 1.00 0.00 C ATOM 0 H ALA A 87 -2.164 -13.509 -24.116 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.896 -11.741 -21.857 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.290 -12.438 -21.504 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.991 -12.048 -23.214 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.074 -13.746 -22.690 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.474 -13.143 -19.905 1.00 0.00 N ATOM 1376 CA VAL A 88 -1.151 -13.985 -18.723 1.00 0.00 C ATOM 1377 C VAL A 88 -1.654 -13.290 -17.474 1.00 0.00 C ATOM 1378 O VAL A 88 -1.147 -13.489 -16.388 1.00 0.00 O ATOM 1379 CB VAL A 88 0.386 -14.155 -18.635 1.00 0.00 C ATOM 1380 CG1 VAL A 88 0.966 -14.257 -20.046 1.00 0.00 C ATOM 1381 CG2 VAL A 88 1.006 -12.942 -17.929 1.00 0.00 C ATOM 0 H VAL A 88 -1.296 -12.146 -19.788 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.624 -14.963 -18.815 1.00 0.00 H new ATOM 0 HB VAL A 88 0.613 -15.060 -18.071 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.048 -14.377 -19.987 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.533 -15.118 -20.556 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.731 -13.350 -20.602 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.087 -13.068 -17.871 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.776 -12.037 -18.491 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.596 -12.858 -16.923 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.664 -12.486 -17.662 1.00 0.00 N ATOM 1392 CA GLU A 89 -3.242 -11.747 -16.524 1.00 0.00 C ATOM 1393 C GLU A 89 -4.174 -12.607 -15.696 1.00 0.00 C ATOM 1394 O GLU A 89 -4.560 -13.689 -16.089 1.00 0.00 O ATOM 1395 CB GLU A 89 -4.062 -10.574 -17.079 1.00 0.00 C ATOM 1396 CG GLU A 89 -4.781 -11.020 -18.353 1.00 0.00 C ATOM 1397 CD GLU A 89 -5.849 -9.986 -18.718 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -6.622 -9.671 -17.828 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -5.830 -9.569 -19.864 1.00 0.00 O ATOM 0 H GLU A 89 -3.110 -12.314 -18.563 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.421 -11.417 -15.888 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.786 -10.238 -16.337 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.409 -9.728 -17.293 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.067 -11.126 -19.170 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.240 -11.997 -18.202 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.514 -12.088 -14.558 1.00 0.00 N ATOM 1407 CA ASP A 90 -5.418 -12.809 -13.648 1.00 0.00 C ATOM 1408 C ASP A 90 -6.043 -11.801 -12.677 1.00 0.00 C ATOM 1409 O ASP A 90 -5.365 -10.919 -12.189 1.00 0.00 O ATOM 1410 CB ASP A 90 -4.596 -13.834 -12.848 1.00 0.00 C ATOM 1411 CG ASP A 90 -3.724 -14.647 -13.807 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -2.633 -14.172 -14.079 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -4.197 -15.694 -14.212 1.00 0.00 O ATOM 0 H ASP A 90 -4.196 -11.180 -14.219 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.200 -13.317 -14.213 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.971 -13.323 -12.115 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.261 -14.496 -12.293 1.00 0.00 H new ATOM 1418 N PRO A 91 -7.323 -11.942 -12.407 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.996 -11.029 -11.497 1.00 0.00 C ATOM 1420 C PRO A 91 -7.237 -10.920 -10.169 1.00 0.00 C ATOM 1421 O PRO A 91 -7.506 -11.649 -9.233 1.00 0.00 O ATOM 1422 CB PRO A 91 -9.406 -11.646 -11.288 1.00 0.00 C ATOM 1423 CG PRO A 91 -9.492 -12.913 -12.196 1.00 0.00 C ATOM 1424 CD PRO A 91 -8.157 -13.024 -12.949 1.00 0.00 C ATOM 0 HA PRO A 91 -8.049 -10.016 -11.895 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.559 -11.911 -10.242 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.183 -10.929 -11.553 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.670 -13.805 -11.596 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.323 -12.829 -12.896 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.693 -13.997 -12.789 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.300 -12.912 -14.024 1.00 0.00 H new ATOM 1432 N MET A 92 -6.282 -10.007 -10.126 1.00 0.00 N ATOM 1433 CA MET A 92 -5.489 -9.826 -8.875 1.00 0.00 C ATOM 1434 C MET A 92 -5.872 -8.528 -8.185 1.00 0.00 C ATOM 1435 O MET A 92 -5.851 -7.474 -8.790 1.00 0.00 O ATOM 1436 CB MET A 92 -3.999 -9.774 -9.250 1.00 0.00 C ATOM 1437 CG MET A 92 -3.509 -11.196 -9.539 1.00 0.00 C ATOM 1438 SD MET A 92 -1.813 -11.386 -10.139 1.00 0.00 S ATOM 1439 CE MET A 92 -2.133 -10.956 -11.867 1.00 0.00 C ATOM 0 H MET A 92 -6.027 -9.391 -10.898 1.00 0.00 H new ATOM 0 HA MET A 92 -5.690 -10.655 -8.196 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.853 -9.140 -10.125 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.421 -9.334 -8.437 1.00 0.00 H new ATOM 0 HG2 MET A 92 -3.610 -11.780 -8.624 1.00 0.00 H new ATOM 0 HG3 MET A 92 -4.179 -11.640 -10.276 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.263 -10.449 -12.283 1.00 0.00 H new ATOM 0 HE2 MET A 92 -2.331 -11.864 -12.437 1.00 0.00 H new ATOM 0 HE3 MET A 92 -2.999 -10.296 -11.923 1.00 0.00 H new ATOM 1449 N GLU A 93 -6.212 -8.628 -6.923 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.604 -7.410 -6.166 1.00 0.00 C ATOM 1451 C GLU A 93 -5.474 -6.919 -5.263 1.00 0.00 C ATOM 1452 O GLU A 93 -5.107 -7.576 -4.310 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.816 -7.766 -5.287 1.00 0.00 C ATOM 1454 CG GLU A 93 -8.004 -9.285 -5.288 1.00 0.00 C ATOM 1455 CD GLU A 93 -9.239 -9.642 -4.459 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -9.895 -8.705 -4.033 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -9.458 -10.831 -4.299 1.00 0.00 O ATOM 0 H GLU A 93 -6.233 -9.498 -6.391 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.839 -6.617 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.662 -7.407 -4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.713 -7.276 -5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.120 -9.648 -6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.121 -9.773 -4.875 1.00 0.00 H new ATOM 1464 N ILE A 94 -4.948 -5.767 -5.581 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.846 -5.213 -4.760 1.00 0.00 C ATOM 1466 C ILE A 94 -4.410 -4.367 -3.623 1.00 0.00 C ATOM 1467 O ILE A 94 -5.363 -3.627 -3.810 1.00 0.00 O ATOM 1468 CB ILE A 94 -2.978 -4.325 -5.657 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -1.953 -5.176 -6.388 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.228 -3.311 -4.776 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.574 -4.485 -7.697 1.00 0.00 C ATOM 0 H ILE A 94 -5.236 -5.191 -6.372 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.259 -6.029 -4.337 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.613 -3.812 -6.379 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.068 -5.316 -5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.361 -6.166 -6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.606 -2.673 -5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.948 -2.697 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.598 -3.844 -4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.839 -5.089 -8.228 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.463 -4.368 -8.317 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.150 -3.504 -7.481 1.00 0.00 H new ATOM 1483 N VAL A 95 -3.806 -4.491 -2.464 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.280 -3.709 -1.286 1.00 0.00 C ATOM 1485 C VAL A 95 -3.288 -2.612 -0.916 1.00 0.00 C ATOM 1486 O VAL A 95 -2.117 -2.876 -0.719 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.403 -4.676 -0.098 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -4.910 -3.910 1.126 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -5.399 -5.784 -0.449 1.00 0.00 C ATOM 0 H VAL A 95 -3.007 -5.100 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.235 -3.243 -1.529 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.429 -5.114 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.999 -4.592 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.207 -3.114 1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.886 -3.477 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.489 -6.472 0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.373 -5.343 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.046 -6.327 -1.326 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.782 -1.394 -0.825 1.00 0.00 N ATOM 1500 CA ILE A 96 -2.892 -0.250 -0.466 1.00 0.00 C ATOM 1501 C ILE A 96 -3.411 0.456 0.788 1.00 0.00 C ATOM 1502 O ILE A 96 -4.505 0.972 0.800 1.00 0.00 O ATOM 1503 CB ILE A 96 -2.894 0.739 -1.636 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.122 0.148 -2.807 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -2.191 2.033 -1.189 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -2.826 0.522 -4.113 1.00 0.00 C ATOM 0 H ILE A 96 -4.759 -1.150 -0.984 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.885 -0.617 -0.268 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.921 0.944 -1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.099 0.524 -2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.063 -0.936 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.185 2.747 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.724 2.462 -0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.165 1.808 -0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.277 0.101 -4.956 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.841 0.124 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.862 1.607 -4.209 1.00 0.00 H new ATOM 1518 N THR A 97 -2.611 0.462 1.825 1.00 0.00 N ATOM 1519 CA THR A 97 -3.050 1.130 3.082 1.00 0.00 C ATOM 1520 C THR A 97 -2.594 2.586 3.127 1.00 0.00 C ATOM 1521 O THR A 97 -1.577 2.939 2.563 1.00 0.00 O ATOM 1522 CB THR A 97 -2.430 0.385 4.271 1.00 0.00 C ATOM 1523 OG1 THR A 97 -3.253 0.698 5.376 1.00 0.00 O ATOM 1524 CG2 THR A 97 -1.058 0.973 4.637 1.00 0.00 C ATOM 0 H THR A 97 -1.684 0.038 1.854 1.00 0.00 H new ATOM 0 HA THR A 97 -4.139 1.108 3.125 1.00 0.00 H new ATOM 0 HB THR A 97 -2.339 -0.675 4.033 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.911 0.248 6.177 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.642 0.426 5.483 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.386 0.887 3.783 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.172 2.023 4.905 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.361 3.408 3.802 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.991 4.846 3.896 1.00 0.00 C ATOM 1534 C VAL A 98 -2.208 5.132 5.172 1.00 0.00 C ATOM 1535 O VAL A 98 -2.387 4.470 6.176 1.00 0.00 O ATOM 1536 CB VAL A 98 -4.278 5.684 3.921 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -3.911 7.161 4.075 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -5.029 5.492 2.608 1.00 0.00 C ATOM 0 H VAL A 98 -4.219 3.144 4.286 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.369 5.099 3.038 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.906 5.369 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.820 7.762 4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.362 7.304 5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.289 7.471 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.943 6.085 2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.400 5.814 1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.282 4.439 2.484 1.00 0.00 H new ATOM 1548 N THR A 99 -1.350 6.122 5.102 1.00 0.00 N ATOM 1549 CA THR A 99 -0.530 6.491 6.290 1.00 0.00 C ATOM 1550 C THR A 99 -0.604 7.993 6.542 1.00 0.00 C ATOM 1551 O THR A 99 -0.744 8.770 5.620 1.00 0.00 O ATOM 1552 CB THR A 99 0.926 6.110 6.006 1.00 0.00 C ATOM 1553 OG1 THR A 99 1.005 5.961 4.603 1.00 0.00 O ATOM 1554 CG2 THR A 99 1.245 4.714 6.562 1.00 0.00 C ATOM 0 H THR A 99 -1.185 6.689 4.270 1.00 0.00 H new ATOM 0 HA THR A 99 -0.908 5.966 7.168 1.00 0.00 H new ATOM 0 HB THR A 99 1.594 6.854 6.439 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.920 5.717 4.351 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.285 4.466 6.348 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.085 4.706 7.640 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.592 3.978 6.093 1.00 0.00 H new