USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 737 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 73 ASN : amide:sc= 1.22 K(o=3.4,f=0.45) USER MOD Set 1.2: A 75 TYR OH : rot -166:sc= 2.18 USER MOD Set 2.1: A 1 MET CE :methyl -156:sc= 0 (180deg=-0.387) USER MOD Set 2.2: A 85 SER OG : rot -160:sc= 0.00608 USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.25 (180deg=0.734) USER MOD Single : A 3 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.11) USER MOD Single : A 11 SER OG : rot 180:sc= -0.13 USER MOD Single : A 14 HIS : no HD1:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.63! USER MOD Single : A 18 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.3!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0362 USER MOD Single : A 30 SER OG : rot 71:sc= 0.586 USER MOD Single : A 31 TYR OH : rot -130:sc= 0.0746 USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.0112 (180deg=-0.2) USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0101) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -160:sc= -0.0477 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -3.17! C(o=-3.2!,f=-4.2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0569 USER MOD Single : A 58 GLN : amide:sc= -1.2! C(o=-1.2!,f=-0.92!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 64 ASN : amide:sc= -0.455 X(o=-0.46,f=-0.44) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.526 USER MOD Single : A 70 SER OG : rot 11:sc= 0.273 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 38:sc= 0.586 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.552 F(o=-1.2,f=-0.55) USER MOD Single : A 91 ASN :FLIP amide:sc= 0.28! F(o=-0.26,f=0.28!) USER MOD Single : A 96 THR OG1 : rot -62:sc= 0.166 USER MOD Single : A 98 LYS NZ :NH3+ -137:sc= 1.81 (180deg=-1.3!) USER MOD Single : A 101 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.183 -0.240 4.211 1.00 1.09 N ATOM 2 CA MET A 1 16.988 -1.112 4.161 1.00 0.39 C ATOM 3 C MET A 1 15.769 -0.317 3.717 1.00 0.30 C ATOM 4 O MET A 1 15.817 0.912 3.613 1.00 0.45 O ATOM 5 CB MET A 1 16.721 -1.753 5.528 1.00 1.38 C ATOM 6 CG MET A 1 17.775 -2.763 5.961 1.00 2.13 C ATOM 7 SD MET A 1 19.386 -2.016 6.268 1.00 3.23 S ATOM 8 CE MET A 1 20.322 -3.449 6.792 1.00 3.75 C ATOM 0 H1 MET A 1 18.850 -0.605 4.920 1.00 1.09 H new ATOM 0 H2 MET A 1 18.642 -0.227 3.278 1.00 1.09 H new ATOM 0 H3 MET A 1 17.897 0.726 4.470 1.00 1.09 H new ATOM 0 HA MET A 1 17.180 -1.904 3.437 1.00 0.39 H new ATOM 0 HB2 MET A 1 16.658 -0.966 6.280 1.00 1.38 H new ATOM 0 HB3 MET A 1 15.750 -2.247 5.501 1.00 1.38 H new ATOM 0 HG2 MET A 1 17.436 -3.267 6.866 1.00 2.13 H new ATOM 0 HG3 MET A 1 17.876 -3.527 5.190 1.00 2.13 H new ATOM 0 HE1 MET A 1 21.164 -3.129 7.406 1.00 3.75 H new ATOM 0 HE2 MET A 1 19.680 -4.111 7.373 1.00 3.75 H new ATOM 0 HE3 MET A 1 20.693 -3.981 5.916 1.00 3.75 H new ATOM 20 N VAL A 2 14.684 -1.027 3.448 1.00 0.15 N ATOM 21 CA VAL A 2 13.448 -0.408 3.000 1.00 0.10 C ATOM 22 C VAL A 2 12.423 -0.366 4.141 1.00 0.09 C ATOM 23 O VAL A 2 12.458 -1.195 5.048 1.00 0.12 O ATOM 24 CB VAL A 2 12.844 -1.166 1.790 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.630 -0.445 1.274 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.855 -1.330 0.671 1.00 0.09 C ATOM 0 H VAL A 2 14.636 -2.042 3.534 1.00 0.15 H new ATOM 0 HA VAL A 2 13.685 0.609 2.689 1.00 0.10 H new ATOM 0 HB VAL A 2 12.557 -2.159 2.137 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.217 -0.989 0.425 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.881 -0.382 2.063 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.910 0.560 0.959 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.395 -1.866 -0.159 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.184 -0.348 0.331 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.713 -1.894 1.036 1.00 0.09 H new ATOM 36 N GLN A 3 11.528 0.610 4.080 1.00 0.09 N ATOM 37 CA GLN A 3 10.475 0.805 5.062 1.00 0.10 C ATOM 38 C GLN A 3 9.138 0.644 4.364 1.00 0.11 C ATOM 39 O GLN A 3 9.087 0.641 3.136 1.00 0.17 O ATOM 40 CB GLN A 3 10.561 2.213 5.650 1.00 0.16 C ATOM 41 CG GLN A 3 11.782 2.484 6.487 1.00 0.79 C ATOM 42 CD GLN A 3 11.963 1.496 7.623 1.00 1.14 C ATOM 43 OE1 GLN A 3 12.614 0.466 7.471 1.00 1.37 O ATOM 44 NE2 GLN A 3 11.391 1.813 8.772 1.00 2.03 N ATOM 0 H GLN A 3 11.515 1.302 3.330 1.00 0.09 H new ATOM 0 HA GLN A 3 10.582 0.077 5.866 1.00 0.10 H new ATOM 0 HB2 GLN A 3 10.533 2.933 4.832 1.00 0.16 H new ATOM 0 HB3 GLN A 3 9.675 2.389 6.260 1.00 0.16 H new ATOM 0 HG2 GLN A 3 12.665 2.458 5.848 1.00 0.79 H new ATOM 0 HG3 GLN A 3 11.716 3.491 6.898 1.00 0.79 H new ATOM 0 HE21 GLN A 3 10.859 2.679 8.855 1.00 2.03 H new ATOM 0 HE22 GLN A 3 11.482 1.191 9.576 1.00 2.03 H new ATOM 53 N CYS A 4 8.054 0.515 5.112 1.00 0.12 N ATOM 54 CA CYS A 4 6.764 0.373 4.472 1.00 0.13 C ATOM 55 C CYS A 4 5.625 0.891 5.342 1.00 0.17 C ATOM 56 O CYS A 4 5.640 0.766 6.566 1.00 0.29 O ATOM 57 CB CYS A 4 6.530 -1.088 4.094 1.00 0.17 C ATOM 58 SG CYS A 4 5.712 -2.086 5.380 1.00 0.30 S ATOM 0 H CYS A 4 8.042 0.506 6.132 1.00 0.12 H new ATOM 0 HA CYS A 4 6.775 0.984 3.570 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.926 -1.122 3.188 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.490 -1.545 3.854 1.00 0.17 H new ATOM 63 N GLU A 5 4.652 1.477 4.665 1.00 0.14 N ATOM 64 CA GLU A 5 3.427 1.984 5.252 1.00 0.16 C ATOM 65 C GLU A 5 2.293 1.654 4.303 1.00 0.15 C ATOM 66 O GLU A 5 2.527 1.112 3.224 1.00 0.17 O ATOM 67 CB GLU A 5 3.483 3.500 5.460 1.00 0.24 C ATOM 68 CG GLU A 5 4.517 3.955 6.470 1.00 0.33 C ATOM 69 CD GLU A 5 4.279 3.377 7.851 1.00 1.14 C ATOM 70 OE1 GLU A 5 3.145 3.478 8.359 1.00 1.39 O ATOM 71 OE2 GLU A 5 5.230 2.829 8.440 1.00 1.87 O ATOM 0 H GLU A 5 4.697 1.617 3.656 1.00 0.14 H new ATOM 0 HA GLU A 5 3.282 1.523 6.229 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.692 3.978 4.503 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.501 3.847 5.782 1.00 0.24 H new ATOM 0 HG2 GLU A 5 5.509 3.664 6.125 1.00 0.33 H new ATOM 0 HG3 GLU A 5 4.507 5.043 6.529 1.00 0.33 H new ATOM 78 N VAL A 6 1.074 1.966 4.687 1.00 0.17 N ATOM 79 CA VAL A 6 -0.073 1.648 3.872 1.00 0.18 C ATOM 80 C VAL A 6 -1.045 2.803 3.792 1.00 0.21 C ATOM 81 O VAL A 6 -1.446 3.379 4.806 1.00 0.33 O ATOM 82 CB VAL A 6 -0.792 0.413 4.401 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.179 -0.847 3.816 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.716 0.398 5.917 1.00 0.20 C ATOM 0 H VAL A 6 0.854 2.441 5.562 1.00 0.17 H new ATOM 0 HA VAL A 6 0.300 1.445 2.868 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.839 0.446 4.100 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.703 -1.720 4.203 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.266 -0.824 2.730 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.873 -0.903 4.094 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.230 -0.485 6.298 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.328 0.373 6.229 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.192 1.295 6.314 1.00 0.20 H new ATOM 94 N GLU A 7 -1.422 3.119 2.574 1.00 0.16 N ATOM 95 CA GLU A 7 -2.246 4.275 2.300 1.00 0.16 C ATOM 96 C GLU A 7 -3.470 3.918 1.491 1.00 0.16 C ATOM 97 O GLU A 7 -3.520 2.892 0.815 1.00 0.28 O ATOM 98 CB GLU A 7 -1.440 5.304 1.519 1.00 0.26 C ATOM 99 CG GLU A 7 -0.127 5.656 2.167 1.00 0.24 C ATOM 100 CD GLU A 7 -0.245 6.823 3.122 1.00 1.05 C ATOM 101 OE1 GLU A 7 -0.373 7.972 2.646 1.00 2.01 O ATOM 102 OE2 GLU A 7 -0.209 6.601 4.346 1.00 1.11 O ATOM 0 H GLU A 7 -1.166 2.582 1.745 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.569 4.678 3.260 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -1.250 4.920 0.517 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -2.035 6.210 1.406 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.253 4.788 2.705 1.00 0.24 H new ATOM 0 HG3 GLU A 7 0.603 5.896 1.394 1.00 0.24 H new ATOM 109 N ALA A 8 -4.451 4.783 1.579 1.00 0.14 N ATOM 110 CA ALA A 8 -5.599 4.739 0.714 1.00 0.12 C ATOM 111 C ALA A 8 -5.885 6.162 0.255 1.00 0.15 C ATOM 112 O ALA A 8 -6.075 7.052 1.081 1.00 0.17 O ATOM 113 CB ALA A 8 -6.774 4.159 1.464 1.00 0.13 C ATOM 0 H ALA A 8 -4.473 5.543 2.259 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.416 4.106 -0.154 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.644 4.126 0.808 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.531 3.150 1.796 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -6.996 4.782 2.330 1.00 0.13 H new ATOM 119 N ALA A 9 -5.918 6.380 -1.043 1.00 0.16 N ATOM 120 CA ALA A 9 -6.046 7.723 -1.583 1.00 0.19 C ATOM 121 C ALA A 9 -7.387 7.906 -2.265 1.00 0.19 C ATOM 122 O ALA A 9 -7.601 7.433 -3.381 1.00 0.20 O ATOM 123 CB ALA A 9 -4.912 7.998 -2.557 1.00 0.22 C ATOM 0 H ALA A 9 -5.858 5.645 -1.747 1.00 0.16 H new ATOM 0 HA ALA A 9 -5.988 8.435 -0.760 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -5.014 9.006 -2.958 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -3.957 7.908 -2.039 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -4.951 7.277 -3.373 1.00 0.22 H new ATOM 129 N VAL A 10 -8.281 8.612 -1.605 1.00 0.22 N ATOM 130 CA VAL A 10 -9.620 8.796 -2.122 1.00 0.23 C ATOM 131 C VAL A 10 -9.664 9.905 -3.163 1.00 0.27 C ATOM 132 O VAL A 10 -9.099 10.981 -2.976 1.00 0.33 O ATOM 133 CB VAL A 10 -10.624 9.111 -1.001 1.00 0.25 C ATOM 134 CG1 VAL A 10 -11.997 9.402 -1.590 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.694 7.959 -0.004 1.00 0.27 C ATOM 0 H VAL A 10 -8.104 9.068 -0.710 1.00 0.22 H new ATOM 0 HA VAL A 10 -9.904 7.854 -2.592 1.00 0.23 H new ATOM 0 HB VAL A 10 -10.284 9.998 -0.467 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.698 9.623 -0.786 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -11.931 10.259 -2.260 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.346 8.532 -2.146 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -11.410 8.201 0.782 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -11.012 7.052 -0.518 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.710 7.800 0.438 1.00 0.27 H new ATOM 145 N SER A 11 -10.330 9.613 -4.264 1.00 0.29 N ATOM 146 CA SER A 11 -10.568 10.579 -5.312 1.00 0.36 C ATOM 147 C SER A 11 -12.074 10.691 -5.543 1.00 0.45 C ATOM 148 O SER A 11 -12.852 9.972 -4.910 1.00 0.63 O ATOM 149 CB SER A 11 -9.832 10.152 -6.580 1.00 0.45 C ATOM 150 OG SER A 11 -10.056 11.048 -7.657 1.00 1.22 O ATOM 0 H SER A 11 -10.723 8.691 -4.455 1.00 0.29 H new ATOM 0 HA SER A 11 -10.188 11.559 -5.025 1.00 0.36 H new ATOM 0 HB2 SER A 11 -8.763 10.093 -6.375 1.00 0.45 H new ATOM 0 HB3 SER A 11 -10.157 9.152 -6.868 1.00 0.45 H new ATOM 0 HG SER A 11 -9.566 10.739 -8.447 1.00 1.22 H new ATOM 156 N GLY A 12 -12.481 11.585 -6.433 1.00 0.45 N ATOM 157 CA GLY A 12 -13.894 11.807 -6.684 1.00 0.54 C ATOM 158 C GLY A 12 -14.601 10.596 -7.268 1.00 0.49 C ATOM 159 O GLY A 12 -14.646 10.422 -8.487 1.00 0.61 O ATOM 0 H GLY A 12 -11.854 12.165 -6.990 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -14.381 12.088 -5.750 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -14.006 12.649 -7.368 1.00 0.54 H new ATOM 163 N GLY A 13 -15.139 9.752 -6.394 1.00 0.45 N ATOM 164 CA GLY A 13 -15.923 8.611 -6.831 1.00 0.48 C ATOM 165 C GLY A 13 -15.156 7.303 -6.770 1.00 0.41 C ATOM 166 O GLY A 13 -15.747 6.223 -6.811 1.00 0.45 O ATOM 0 H GLY A 13 -15.045 9.839 -5.382 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -16.815 8.531 -6.210 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.261 8.780 -7.854 1.00 0.48 H new ATOM 170 N HIS A 14 -13.840 7.387 -6.656 1.00 0.34 N ATOM 171 CA HIS A 14 -12.996 6.197 -6.647 1.00 0.31 C ATOM 172 C HIS A 14 -11.875 6.356 -5.637 1.00 0.30 C ATOM 173 O HIS A 14 -11.399 7.458 -5.402 1.00 0.43 O ATOM 174 CB HIS A 14 -12.410 5.924 -8.039 1.00 0.34 C ATOM 175 CG HIS A 14 -13.401 5.398 -9.033 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.501 4.064 -9.364 1.00 1.56 N ATOM 177 CD2 HIS A 14 -14.342 6.035 -9.769 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.459 3.905 -10.257 1.00 1.85 C ATOM 179 NE2 HIS A 14 -14.987 5.085 -10.521 1.00 1.82 N ATOM 0 H HIS A 14 -13.330 8.266 -6.568 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.617 5.347 -6.364 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -11.979 6.847 -8.427 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -11.594 5.208 -7.943 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -14.547 7.095 -9.765 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -14.760 2.966 -10.698 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -15.749 5.262 -11.176 1.00 1.82 H new ATOM 188 N VAL A 15 -11.458 5.258 -5.039 1.00 0.23 N ATOM 189 CA VAL A 15 -10.392 5.291 -4.057 1.00 0.20 C ATOM 190 C VAL A 15 -9.185 4.499 -4.559 1.00 0.18 C ATOM 191 O VAL A 15 -9.285 3.314 -4.855 1.00 0.17 O ATOM 192 CB VAL A 15 -10.872 4.774 -2.671 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.505 3.390 -2.764 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.729 4.769 -1.666 1.00 0.17 C ATOM 0 H VAL A 15 -11.842 4.330 -5.216 1.00 0.23 H new ATOM 0 HA VAL A 15 -10.090 6.329 -3.921 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.641 5.464 -2.323 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.825 3.069 -1.773 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.367 3.428 -3.429 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.775 2.682 -3.156 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -10.091 4.403 -0.705 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.932 4.118 -2.025 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.345 5.782 -1.547 1.00 0.17 H new ATOM 204 N THR A 16 -8.058 5.175 -4.683 1.00 0.17 N ATOM 205 CA THR A 16 -6.834 4.557 -5.161 1.00 0.16 C ATOM 206 C THR A 16 -5.978 4.135 -3.976 1.00 0.14 C ATOM 207 O THR A 16 -5.561 4.966 -3.182 1.00 0.15 O ATOM 208 CB THR A 16 -6.037 5.538 -6.042 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.781 5.848 -7.226 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.677 4.967 -6.413 1.00 0.19 C ATOM 0 H THR A 16 -7.965 6.165 -4.456 1.00 0.17 H new ATOM 0 HA THR A 16 -7.098 3.684 -5.758 1.00 0.16 H new ATOM 0 HB THR A 16 -5.873 6.451 -5.470 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.269 6.473 -7.780 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.139 5.683 -7.035 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.105 4.772 -5.506 1.00 0.19 H new ATOM 0 HG23 THR A 16 -4.811 4.036 -6.964 1.00 0.19 H new ATOM 218 N LEU A 17 -5.719 2.852 -3.856 1.00 0.12 N ATOM 219 CA LEU A 17 -5.064 2.336 -2.672 1.00 0.10 C ATOM 220 C LEU A 17 -3.683 1.779 -3.000 1.00 0.13 C ATOM 221 O LEU A 17 -3.510 1.112 -4.019 1.00 0.17 O ATOM 222 CB LEU A 17 -5.940 1.272 -2.051 1.00 0.11 C ATOM 223 CG LEU A 17 -5.868 1.198 -0.537 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.241 0.926 0.024 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.871 0.144 -0.097 1.00 0.11 C ATOM 0 H LEU A 17 -5.950 2.149 -4.558 1.00 0.12 H new ATOM 0 HA LEU A 17 -4.920 3.150 -1.962 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -6.974 1.455 -2.344 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.659 0.303 -2.463 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.520 2.155 -0.149 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.186 0.873 1.111 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.918 1.729 -0.267 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.613 -0.021 -0.367 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.836 0.108 0.992 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.176 -0.829 -0.482 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.883 0.394 -0.484 1.00 0.11 H new ATOM 237 N GLN A 18 -2.704 2.088 -2.147 1.00 0.15 N ATOM 238 CA GLN A 18 -1.332 1.623 -2.322 1.00 0.19 C ATOM 239 C GLN A 18 -0.534 1.794 -1.025 1.00 0.24 C ATOM 240 O GLN A 18 -0.943 2.533 -0.135 1.00 0.51 O ATOM 241 CB GLN A 18 -0.661 2.377 -3.469 1.00 0.32 C ATOM 242 CG GLN A 18 -1.026 3.850 -3.543 1.00 0.78 C ATOM 243 CD GLN A 18 -0.426 4.537 -4.754 1.00 1.03 C ATOM 244 OE1 GLN A 18 0.626 4.139 -5.256 1.00 1.58 O ATOM 245 NE2 GLN A 18 -1.081 5.587 -5.218 1.00 1.77 N ATOM 0 H GLN A 18 -2.842 2.666 -1.318 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.355 0.562 -2.570 1.00 0.19 H new ATOM 0 HB2 GLN A 18 0.420 2.287 -3.365 1.00 0.32 H new ATOM 0 HB3 GLN A 18 -0.932 1.899 -4.411 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -2.111 3.951 -3.572 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -0.684 4.352 -2.638 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -1.949 5.884 -4.773 1.00 1.77 H new ATOM 0 HE22 GLN A 18 -0.718 6.100 -6.021 1.00 1.77 H new ATOM 254 N GLY A 19 0.601 1.113 -0.920 1.00 0.17 N ATOM 255 CA GLY A 19 1.398 1.177 0.298 1.00 0.18 C ATOM 256 C GLY A 19 2.673 1.987 0.119 1.00 0.18 C ATOM 257 O GLY A 19 3.395 1.794 -0.852 1.00 0.19 O ATOM 0 H GLY A 19 0.986 0.518 -1.653 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.801 1.618 1.096 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.655 0.166 0.613 1.00 0.18 H new ATOM 261 N VAL A 20 2.963 2.884 1.057 1.00 0.17 N ATOM 262 CA VAL A 20 4.131 3.757 0.945 1.00 0.18 C ATOM 263 C VAL A 20 5.380 3.120 1.520 1.00 0.21 C ATOM 264 O VAL A 20 5.490 2.865 2.710 1.00 0.45 O ATOM 265 CB VAL A 20 3.894 5.129 1.606 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.209 5.799 2.015 1.00 0.24 C ATOM 267 CG2 VAL A 20 3.114 6.025 0.659 1.00 0.20 C ATOM 0 H VAL A 20 2.408 3.027 1.901 1.00 0.17 H new ATOM 0 HA VAL A 20 4.286 3.910 -0.123 1.00 0.18 H new ATOM 0 HB VAL A 20 3.316 4.970 2.516 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.998 6.763 2.477 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.735 5.163 2.727 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.831 5.948 1.133 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.948 6.994 1.129 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.680 6.161 -0.262 1.00 0.20 H new ATOM 0 HG23 VAL A 20 2.153 5.564 0.430 1.00 0.20 H new ATOM 277 N ILE A 21 6.314 2.884 0.643 1.00 0.13 N ATOM 278 CA ILE A 21 7.607 2.352 0.992 1.00 0.11 C ATOM 279 C ILE A 21 8.627 3.471 1.075 1.00 0.13 C ATOM 280 O ILE A 21 9.031 4.029 0.064 1.00 0.14 O ATOM 281 CB ILE A 21 8.042 1.325 -0.069 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.486 -0.031 0.282 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.552 1.247 -0.232 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.601 -0.983 -0.861 1.00 0.10 C ATOM 0 H ILE A 21 6.199 3.058 -0.355 1.00 0.13 H new ATOM 0 HA ILE A 21 7.543 1.864 1.965 1.00 0.11 H new ATOM 0 HB ILE A 21 7.641 1.658 -1.026 1.00 0.10 H new ATOM 0 HG12 ILE A 21 8.018 -0.431 1.145 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.440 0.068 0.571 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.798 0.507 -0.993 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.936 2.221 -0.536 1.00 0.10 H new ATOM 0 HG23 ILE A 21 10.006 0.958 0.716 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.190 -1.950 -0.572 1.00 0.10 H new ATOM 0 HD12 ILE A 21 7.047 -0.594 -1.715 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.650 -1.101 -1.132 1.00 0.10 H new ATOM 296 N THR A 22 9.023 3.837 2.267 1.00 0.13 N ATOM 297 CA THR A 22 10.140 4.736 2.388 1.00 0.14 C ATOM 298 C THR A 22 11.391 3.914 2.299 1.00 0.14 C ATOM 299 O THR A 22 11.525 2.918 2.983 1.00 0.18 O ATOM 300 CB THR A 22 10.152 5.523 3.699 1.00 0.16 C ATOM 301 OG1 THR A 22 8.838 6.003 4.001 1.00 0.20 O ATOM 302 CG2 THR A 22 11.105 6.696 3.578 1.00 0.17 C ATOM 0 H THR A 22 8.602 3.536 3.146 1.00 0.13 H new ATOM 0 HA THR A 22 10.066 5.473 1.588 1.00 0.14 H new ATOM 0 HB THR A 22 10.481 4.865 4.503 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.858 6.504 4.843 1.00 0.20 H new ATOM 0 HG21 THR A 22 11.113 7.256 4.513 1.00 0.17 H new ATOM 0 HG22 THR A 22 12.109 6.329 3.367 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.779 7.348 2.767 1.00 0.17 H new ATOM 310 N ALA A 23 12.300 4.295 1.464 1.00 0.12 N ATOM 311 CA ALA A 23 13.478 3.500 1.305 1.00 0.12 C ATOM 312 C ALA A 23 14.681 4.331 1.628 1.00 0.14 C ATOM 313 O ALA A 23 14.917 5.332 0.995 1.00 0.16 O ATOM 314 CB ALA A 23 13.540 2.984 -0.108 1.00 0.11 C ATOM 0 H ALA A 23 12.255 5.136 0.889 1.00 0.12 H new ATOM 0 HA ALA A 23 13.455 2.647 1.984 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.436 2.377 -0.235 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.659 2.376 -0.312 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.570 3.825 -0.801 1.00 0.11 H new ATOM 320 N VAL A 24 15.437 3.913 2.617 1.00 0.16 N ATOM 321 CA VAL A 24 16.567 4.698 3.087 1.00 0.18 C ATOM 322 C VAL A 24 17.699 4.751 2.059 1.00 0.20 C ATOM 323 O VAL A 24 18.640 5.532 2.196 1.00 0.25 O ATOM 324 CB VAL A 24 17.091 4.154 4.428 1.00 0.22 C ATOM 325 CG1 VAL A 24 18.285 4.954 4.917 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.975 4.175 5.455 1.00 0.23 C ATOM 0 H VAL A 24 15.294 3.034 3.115 1.00 0.16 H new ATOM 0 HA VAL A 24 16.207 5.716 3.234 1.00 0.18 H new ATOM 0 HB VAL A 24 17.424 3.127 4.281 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.632 4.546 5.866 1.00 0.25 H new ATOM 0 HG12 VAL A 24 19.087 4.896 4.182 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.994 5.995 5.055 1.00 0.25 H new ATOM 0 HG21 VAL A 24 16.347 3.790 6.404 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.625 5.198 5.591 1.00 0.23 H new ATOM 0 HG23 VAL A 24 15.150 3.552 5.109 1.00 0.23 H new ATOM 336 N ARG A 25 17.610 3.947 1.011 1.00 0.21 N ATOM 337 CA ARG A 25 18.646 3.948 -0.003 1.00 0.24 C ATOM 338 C ARG A 25 18.060 4.007 -1.406 1.00 0.23 C ATOM 339 O ARG A 25 17.097 3.305 -1.721 1.00 0.26 O ATOM 340 CB ARG A 25 19.532 2.731 0.165 1.00 0.33 C ATOM 341 CG ARG A 25 20.368 2.799 1.422 1.00 0.40 C ATOM 342 CD ARG A 25 21.508 3.771 1.246 1.00 0.73 C ATOM 343 NE ARG A 25 22.345 3.884 2.439 1.00 0.80 N ATOM 344 CZ ARG A 25 23.276 4.819 2.597 1.00 1.41 C ATOM 345 NH1 ARG A 25 23.481 5.720 1.645 1.00 2.18 N ATOM 346 NH2 ARG A 25 24.001 4.853 3.707 1.00 1.42 N ATOM 0 H ARG A 25 16.843 3.296 0.844 1.00 0.21 H new ATOM 0 HA ARG A 25 19.250 4.846 0.128 1.00 0.24 H new ATOM 0 HB2 ARG A 25 18.913 1.834 0.191 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.188 2.640 -0.701 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.747 3.107 2.263 1.00 0.40 H new ATOM 0 HG3 ARG A 25 20.759 1.810 1.660 1.00 0.40 H new ATOM 0 HD2 ARG A 25 22.124 3.453 0.404 1.00 0.73 H new ATOM 0 HD3 ARG A 25 21.107 4.753 0.995 1.00 0.73 H new ATOM 0 HE ARG A 25 22.207 3.209 3.191 1.00 0.80 H new ATOM 0 HH11 ARG A 25 22.924 5.695 0.791 1.00 2.18 H new ATOM 0 HH12 ARG A 25 24.196 6.437 1.767 1.00 2.18 H new ATOM 0 HH21 ARG A 25 23.844 4.161 4.440 1.00 1.42 H new ATOM 0 HH22 ARG A 25 24.715 5.571 3.828 1.00 1.42 H new ATOM 360 N ASP A 26 18.644 4.868 -2.236 1.00 0.23 N ATOM 361 CA ASP A 26 18.188 5.069 -3.604 1.00 0.25 C ATOM 362 C ASP A 26 18.581 3.891 -4.484 1.00 0.24 C ATOM 363 O ASP A 26 19.539 3.174 -4.193 1.00 0.32 O ATOM 364 CB ASP A 26 18.772 6.364 -4.178 1.00 0.31 C ATOM 365 CG ASP A 26 20.283 6.318 -4.304 1.00 0.78 C ATOM 366 OD1 ASP A 26 20.977 6.684 -3.335 1.00 0.73 O ATOM 367 OD2 ASP A 26 20.781 5.909 -5.373 1.00 1.54 O ATOM 0 H ASP A 26 19.445 5.444 -1.977 1.00 0.23 H new ATOM 0 HA ASP A 26 17.101 5.145 -3.589 1.00 0.25 H new ATOM 0 HB2 ASP A 26 18.335 6.552 -5.159 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.490 7.200 -3.538 1.00 0.31 H new ATOM 372 N GLY A 27 17.830 3.695 -5.551 1.00 0.24 N ATOM 373 CA GLY A 27 18.096 2.614 -6.462 1.00 0.26 C ATOM 374 C GLY A 27 16.827 1.867 -6.779 1.00 0.21 C ATOM 375 O GLY A 27 15.828 2.474 -7.159 1.00 0.23 O ATOM 0 H GLY A 27 17.030 4.276 -5.803 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.534 3.004 -7.381 1.00 0.26 H new ATOM 0 HA3 GLY A 27 18.826 1.933 -6.024 1.00 0.26 H new ATOM 379 N ALA A 28 16.851 0.564 -6.596 1.00 0.19 N ATOM 380 CA ALA A 28 15.677 -0.257 -6.828 1.00 0.18 C ATOM 381 C ALA A 28 15.632 -1.412 -5.837 1.00 0.24 C ATOM 382 O ALA A 28 16.665 -1.994 -5.503 1.00 0.45 O ATOM 383 CB ALA A 28 15.665 -0.776 -8.259 1.00 0.21 C ATOM 0 H ALA A 28 17.674 0.047 -6.286 1.00 0.19 H new ATOM 0 HA ALA A 28 14.789 0.357 -6.679 1.00 0.18 H new ATOM 0 HB1 ALA A 28 14.778 -1.390 -8.416 1.00 0.21 H new ATOM 0 HB2 ALA A 28 15.651 0.066 -8.951 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.557 -1.376 -8.436 1.00 0.21 H new ATOM 389 N GLY A 29 14.441 -1.741 -5.370 1.00 0.15 N ATOM 390 CA GLY A 29 14.280 -2.826 -4.437 1.00 0.19 C ATOM 391 C GLY A 29 13.080 -3.660 -4.799 1.00 0.17 C ATOM 392 O GLY A 29 12.372 -3.341 -5.752 1.00 0.21 O ATOM 0 H GLY A 29 13.574 -1.268 -5.626 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.175 -3.448 -4.436 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.165 -2.431 -3.428 1.00 0.19 H new ATOM 396 N SER A 30 12.826 -4.703 -4.042 1.00 0.15 N ATOM 397 CA SER A 30 11.714 -5.581 -4.349 1.00 0.15 C ATOM 398 C SER A 30 10.758 -5.669 -3.168 1.00 0.13 C ATOM 399 O SER A 30 11.180 -5.796 -2.016 1.00 0.14 O ATOM 400 CB SER A 30 12.219 -6.966 -4.749 1.00 0.20 C ATOM 401 OG SER A 30 13.111 -7.498 -3.778 1.00 0.23 O ATOM 0 H SER A 30 13.366 -4.965 -3.217 1.00 0.15 H new ATOM 0 HA SER A 30 11.167 -5.163 -5.194 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.372 -7.641 -4.874 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.724 -6.906 -5.713 1.00 0.20 H new ATOM 0 HG SER A 30 12.610 -7.740 -2.971 1.00 0.23 H new ATOM 407 N TYR A 31 9.473 -5.600 -3.473 1.00 0.13 N ATOM 408 CA TYR A 31 8.428 -5.565 -2.465 1.00 0.11 C ATOM 409 C TYR A 31 7.095 -6.025 -3.054 1.00 0.13 C ATOM 410 O TYR A 31 6.955 -6.158 -4.272 1.00 0.18 O ATOM 411 CB TYR A 31 8.315 -4.163 -1.870 1.00 0.10 C ATOM 412 CG TYR A 31 8.964 -3.066 -2.691 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.362 -2.608 -3.848 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.164 -2.465 -2.288 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.923 -1.594 -4.589 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.727 -1.442 -3.027 1.00 0.09 C ATOM 417 CZ TYR A 31 10.103 -1.010 -4.175 1.00 0.11 C ATOM 418 OH TYR A 31 10.655 0.013 -4.907 1.00 0.13 O ATOM 0 H TYR A 31 9.124 -5.567 -4.431 1.00 0.13 H new ATOM 0 HA TYR A 31 8.692 -6.254 -1.663 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.260 -3.923 -1.740 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.765 -4.168 -0.877 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.435 -3.054 -4.176 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.655 -2.806 -1.388 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.441 -1.255 -5.494 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.651 -0.984 -2.706 1.00 0.09 H new ATOM 0 HH TYR A 31 11.602 -0.178 -5.074 1.00 0.13 H new ATOM 428 N LYS A 32 6.125 -6.273 -2.186 1.00 0.13 N ATOM 429 CA LYS A 32 4.831 -6.813 -2.595 1.00 0.14 C ATOM 430 C LYS A 32 3.683 -6.166 -1.829 1.00 0.14 C ATOM 431 O LYS A 32 3.515 -6.404 -0.634 1.00 0.13 O ATOM 432 CB LYS A 32 4.802 -8.326 -2.355 1.00 0.16 C ATOM 433 CG LYS A 32 5.659 -8.779 -1.187 1.00 0.17 C ATOM 434 CD LYS A 32 7.018 -9.290 -1.653 1.00 0.25 C ATOM 435 CE LYS A 32 6.881 -10.553 -2.491 1.00 0.40 C ATOM 436 NZ LYS A 32 6.320 -11.684 -1.706 1.00 1.26 N ATOM 0 H LYS A 32 6.209 -6.108 -1.183 1.00 0.13 H new ATOM 0 HA LYS A 32 4.702 -6.595 -3.655 1.00 0.14 H new ATOM 0 HB2 LYS A 32 3.772 -8.637 -2.179 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.139 -8.834 -3.259 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.800 -7.949 -0.495 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.142 -9.567 -0.639 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.518 -8.517 -2.237 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.648 -9.493 -0.787 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.238 -10.352 -3.347 1.00 0.40 H new ATOM 0 HE3 LYS A 32 7.858 -10.834 -2.885 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 6.446 -12.570 -2.235 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 6.815 -11.752 -0.794 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 5.306 -11.522 -1.539 1.00 1.26 H new ATOM 450 N LEU A 33 2.877 -5.378 -2.520 1.00 0.17 N ATOM 451 CA LEU A 33 1.723 -4.749 -1.898 1.00 0.17 C ATOM 452 C LEU A 33 0.457 -5.484 -2.305 1.00 0.19 C ATOM 453 O LEU A 33 0.112 -5.556 -3.485 1.00 0.27 O ATOM 454 CB LEU A 33 1.634 -3.257 -2.266 1.00 0.22 C ATOM 455 CG LEU A 33 0.486 -2.461 -1.614 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.789 -2.603 -2.412 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.243 -2.907 -0.178 1.00 0.49 C ATOM 0 H LEU A 33 2.999 -5.159 -3.509 1.00 0.17 H new ATOM 0 HA LEU A 33 1.836 -4.810 -0.816 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.577 -2.781 -1.996 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.535 -3.177 -3.348 1.00 0.22 H new ATOM 0 HG LEU A 33 0.786 -1.413 -1.604 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.584 -2.033 -1.932 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.630 -2.225 -3.422 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -1.074 -3.654 -2.459 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.573 -2.325 0.251 1.00 0.49 H new ATOM 0 HD22 LEU A 33 -0.020 -3.965 -0.165 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.148 -2.751 0.409 1.00 0.49 H new ATOM 469 N ALA A 34 -0.218 -6.037 -1.324 1.00 0.16 N ATOM 470 CA ALA A 34 -1.475 -6.723 -1.562 1.00 0.19 C ATOM 471 C ALA A 34 -2.623 -5.987 -0.888 1.00 0.18 C ATOM 472 O ALA A 34 -2.557 -5.664 0.297 1.00 0.25 O ATOM 473 CB ALA A 34 -1.396 -8.161 -1.078 1.00 0.25 C ATOM 0 H ALA A 34 0.080 -6.027 -0.349 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.664 -6.735 -2.635 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.347 -8.660 -1.264 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.602 -8.682 -1.613 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.183 -8.174 -0.009 1.00 0.25 H new ATOM 479 N VAL A 35 -3.671 -5.716 -1.646 1.00 0.16 N ATOM 480 CA VAL A 35 -4.834 -5.023 -1.124 1.00 0.14 C ATOM 481 C VAL A 35 -5.995 -5.988 -0.974 1.00 0.16 C ATOM 482 O VAL A 35 -6.219 -6.855 -1.818 1.00 0.23 O ATOM 483 CB VAL A 35 -5.262 -3.841 -2.025 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.385 -3.047 -1.377 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.083 -2.935 -2.322 1.00 0.21 C ATOM 0 H VAL A 35 -3.739 -5.968 -2.632 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.556 -4.620 -0.150 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.627 -4.253 -2.966 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.669 -2.221 -2.029 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.246 -3.697 -1.218 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -6.046 -2.653 -0.419 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.408 -2.111 -2.957 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.685 -2.538 -1.388 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.307 -3.504 -2.835 1.00 0.21 H new ATOM 495 N ASP A 36 -6.709 -5.838 0.116 1.00 0.19 N ATOM 496 CA ASP A 36 -7.853 -6.667 0.409 1.00 0.24 C ATOM 497 C ASP A 36 -9.098 -5.806 0.500 1.00 0.25 C ATOM 498 O ASP A 36 -9.223 -4.964 1.389 1.00 0.31 O ATOM 499 CB ASP A 36 -7.628 -7.410 1.723 1.00 0.33 C ATOM 500 CG ASP A 36 -6.766 -8.645 1.556 1.00 1.05 C ATOM 501 OD1 ASP A 36 -7.045 -9.454 0.647 1.00 1.52 O ATOM 502 OD2 ASP A 36 -5.795 -8.809 2.326 1.00 1.67 O ATOM 0 H ASP A 36 -6.512 -5.134 0.828 1.00 0.19 H new ATOM 0 HA ASP A 36 -7.986 -7.396 -0.390 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -7.157 -6.737 2.440 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -8.592 -7.699 2.142 1.00 0.33 H new ATOM 507 N LYS A 37 -10.012 -6.006 -0.427 1.00 0.28 N ATOM 508 CA LYS A 37 -11.233 -5.237 -0.462 1.00 0.33 C ATOM 509 C LYS A 37 -12.411 -6.101 -0.044 1.00 0.46 C ATOM 510 O LYS A 37 -12.560 -7.230 -0.504 1.00 0.63 O ATOM 511 CB LYS A 37 -11.435 -4.651 -1.854 1.00 0.42 C ATOM 512 CG LYS A 37 -12.888 -4.554 -2.257 1.00 0.95 C ATOM 513 CD LYS A 37 -13.064 -3.911 -3.624 1.00 0.77 C ATOM 514 CE LYS A 37 -12.513 -4.783 -4.740 1.00 1.13 C ATOM 515 NZ LYS A 37 -12.827 -4.231 -6.084 1.00 1.34 N ATOM 0 H LYS A 37 -9.929 -6.700 -1.170 1.00 0.28 H new ATOM 0 HA LYS A 37 -11.162 -4.411 0.246 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -10.988 -3.658 -1.891 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -10.904 -5.266 -2.580 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -13.328 -5.551 -2.267 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -13.432 -3.974 -1.512 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -14.123 -3.721 -3.802 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -12.560 -2.944 -3.637 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -11.433 -4.874 -4.629 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -12.928 -5.787 -4.654 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -12.814 -4.998 -6.786 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -13.770 -3.792 -6.068 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -12.117 -3.516 -6.340 1.00 1.34 H new ATOM 529 N ALA A 38 -13.222 -5.571 0.850 1.00 0.41 N ATOM 530 CA ALA A 38 -14.389 -6.269 1.344 1.00 0.52 C ATOM 531 C ALA A 38 -15.570 -5.310 1.421 1.00 0.47 C ATOM 532 O ALA A 38 -15.641 -4.456 2.305 1.00 0.43 O ATOM 533 CB ALA A 38 -14.081 -6.874 2.701 1.00 0.60 C ATOM 0 H ALA A 38 -13.089 -4.644 1.254 1.00 0.41 H new ATOM 0 HA ALA A 38 -14.654 -7.076 0.661 1.00 0.52 H new ATOM 0 HB1 ALA A 38 -14.960 -7.400 3.073 1.00 0.60 H new ATOM 0 HB2 ALA A 38 -13.252 -7.575 2.607 1.00 0.60 H new ATOM 0 HB3 ALA A 38 -13.809 -6.082 3.399 1.00 0.60 H new ATOM 539 N GLY A 39 -16.494 -5.452 0.491 1.00 0.57 N ATOM 540 CA GLY A 39 -17.598 -4.525 0.398 1.00 0.60 C ATOM 541 C GLY A 39 -18.913 -5.223 0.155 1.00 0.81 C ATOM 542 O GLY A 39 -19.039 -6.425 0.393 1.00 0.96 O ATOM 0 H GLY A 39 -16.500 -6.197 -0.206 1.00 0.57 H new ATOM 0 HA2 GLY A 39 -17.662 -3.946 1.319 1.00 0.60 H new ATOM 0 HA3 GLY A 39 -17.409 -3.819 -0.410 1.00 0.60 H new ATOM 546 N ALA A 40 -19.899 -4.472 -0.315 1.00 0.90 N ATOM 547 CA ALA A 40 -21.204 -5.035 -0.633 1.00 1.14 C ATOM 548 C ALA A 40 -21.107 -5.994 -1.815 1.00 1.33 C ATOM 549 O ALA A 40 -21.996 -6.811 -2.043 1.00 1.57 O ATOM 550 CB ALA A 40 -22.200 -3.929 -0.922 1.00 1.24 C ATOM 0 H ALA A 40 -19.820 -3.469 -0.485 1.00 0.90 H new ATOM 0 HA ALA A 40 -21.554 -5.599 0.232 1.00 1.14 H new ATOM 0 HB1 ALA A 40 -23.170 -4.366 -1.158 1.00 1.24 H new ATOM 0 HB2 ALA A 40 -22.294 -3.287 -0.047 1.00 1.24 H new ATOM 0 HB3 ALA A 40 -21.852 -3.338 -1.770 1.00 1.24 H new ATOM 556 N ALA A 41 -20.014 -5.888 -2.558 1.00 1.28 N ATOM 557 CA ALA A 41 -19.752 -6.781 -3.677 1.00 1.49 C ATOM 558 C ALA A 41 -18.880 -7.955 -3.240 1.00 1.45 C ATOM 559 O ALA A 41 -18.337 -8.685 -4.070 1.00 1.72 O ATOM 560 CB ALA A 41 -19.090 -6.021 -4.812 1.00 1.58 C ATOM 0 H ALA A 41 -19.290 -5.187 -2.404 1.00 1.28 H new ATOM 0 HA ALA A 41 -20.704 -7.178 -4.031 1.00 1.49 H new ATOM 0 HB1 ALA A 41 -18.900 -6.701 -5.643 1.00 1.58 H new ATOM 0 HB2 ALA A 41 -19.747 -5.218 -5.144 1.00 1.58 H new ATOM 0 HB3 ALA A 41 -18.147 -5.598 -4.465 1.00 1.58 H new ATOM 566 N GLY A 42 -18.738 -8.120 -1.932 1.00 1.19 N ATOM 567 CA GLY A 42 -17.970 -9.226 -1.402 1.00 1.21 C ATOM 568 C GLY A 42 -16.510 -8.882 -1.214 1.00 1.01 C ATOM 569 O GLY A 42 -16.120 -7.713 -1.307 1.00 0.86 O ATOM 0 H GLY A 42 -19.143 -7.504 -1.227 1.00 1.19 H new ATOM 0 HA2 GLY A 42 -18.393 -9.532 -0.445 1.00 1.21 H new ATOM 0 HA3 GLY A 42 -18.055 -10.079 -2.076 1.00 1.21 H new ATOM 573 N THR A 43 -15.702 -9.897 -0.959 1.00 1.03 N ATOM 574 CA THR A 43 -14.278 -9.716 -0.763 1.00 0.88 C ATOM 575 C THR A 43 -13.529 -9.930 -2.076 1.00 0.82 C ATOM 576 O THR A 43 -14.015 -10.627 -2.970 1.00 0.92 O ATOM 577 CB THR A 43 -13.747 -10.695 0.297 1.00 0.97 C ATOM 578 OG1 THR A 43 -14.106 -12.039 -0.053 1.00 1.14 O ATOM 579 CG2 THR A 43 -14.303 -10.366 1.670 1.00 1.00 C ATOM 0 H THR A 43 -16.015 -10.865 -0.883 1.00 1.03 H new ATOM 0 HA THR A 43 -14.112 -8.696 -0.417 1.00 0.88 H new ATOM 0 HB THR A 43 -12.662 -10.601 0.329 1.00 0.97 H new ATOM 0 HG1 THR A 43 -13.763 -12.657 0.626 1.00 1.14 H new ATOM 0 HG21 THR A 43 -13.911 -11.074 2.400 1.00 1.00 H new ATOM 0 HG22 THR A 43 -14.007 -9.355 1.950 1.00 1.00 H new ATOM 0 HG23 THR A 43 -15.391 -10.433 1.648 1.00 1.00 H new ATOM 587 N SER A 44 -12.365 -9.316 -2.202 1.00 0.73 N ATOM 588 CA SER A 44 -11.569 -9.423 -3.411 1.00 0.69 C ATOM 589 C SER A 44 -10.084 -9.339 -3.073 1.00 0.59 C ATOM 590 O SER A 44 -9.674 -8.516 -2.250 1.00 0.60 O ATOM 591 CB SER A 44 -11.959 -8.310 -4.386 1.00 0.72 C ATOM 592 OG SER A 44 -13.358 -8.314 -4.628 1.00 1.15 O ATOM 0 H SER A 44 -11.948 -8.734 -1.475 1.00 0.73 H new ATOM 0 HA SER A 44 -11.761 -10.387 -3.881 1.00 0.69 H new ATOM 0 HB2 SER A 44 -11.659 -7.344 -3.980 1.00 0.72 H new ATOM 0 HB3 SER A 44 -11.423 -8.441 -5.326 1.00 0.72 H new ATOM 0 HG SER A 44 -13.547 -7.834 -5.461 1.00 1.15 H new ATOM 598 N ARG A 45 -9.290 -10.194 -3.700 1.00 0.63 N ATOM 599 CA ARG A 45 -7.858 -10.244 -3.442 1.00 0.60 C ATOM 600 C ARG A 45 -7.087 -9.495 -4.523 1.00 0.51 C ATOM 601 O ARG A 45 -7.090 -9.889 -5.690 1.00 0.65 O ATOM 602 CB ARG A 45 -7.377 -11.694 -3.388 1.00 0.78 C ATOM 603 CG ARG A 45 -8.040 -12.526 -2.307 1.00 1.48 C ATOM 604 CD ARG A 45 -7.444 -12.230 -0.944 1.00 1.56 C ATOM 605 NE ARG A 45 -8.066 -13.033 0.108 1.00 1.96 N ATOM 606 CZ ARG A 45 -7.798 -12.904 1.408 1.00 2.32 C ATOM 607 NH1 ARG A 45 -6.996 -11.938 1.837 1.00 2.28 N ATOM 608 NH2 ARG A 45 -8.364 -13.720 2.286 1.00 3.08 N ATOM 0 H ARG A 45 -9.615 -10.866 -4.395 1.00 0.63 H new ATOM 0 HA ARG A 45 -7.674 -9.766 -2.480 1.00 0.60 H new ATOM 0 HB2 ARG A 45 -7.559 -12.162 -4.355 1.00 0.78 H new ATOM 0 HB3 ARG A 45 -6.299 -11.702 -3.228 1.00 0.78 H new ATOM 0 HG2 ARG A 45 -9.110 -12.320 -2.291 1.00 1.48 H new ATOM 0 HG3 ARG A 45 -7.922 -13.585 -2.536 1.00 1.48 H new ATOM 0 HD2 ARG A 45 -6.372 -12.427 -0.966 1.00 1.56 H new ATOM 0 HD3 ARG A 45 -7.569 -11.172 -0.715 1.00 1.56 H new ATOM 0 HE ARG A 45 -8.749 -13.737 -0.171 1.00 1.96 H new ATOM 0 HH11 ARG A 45 -6.580 -11.287 1.171 1.00 2.28 H new ATOM 0 HH12 ARG A 45 -6.796 -11.846 2.833 1.00 2.28 H new ATOM 0 HH21 ARG A 45 -9.005 -14.447 1.967 1.00 3.08 H new ATOM 0 HH22 ARG A 45 -8.159 -13.621 3.280 1.00 3.08 H new ATOM 622 N ILE A 46 -6.445 -8.408 -4.135 1.00 0.38 N ATOM 623 CA ILE A 46 -5.616 -7.638 -5.047 1.00 0.33 C ATOM 624 C ILE A 46 -4.153 -7.758 -4.630 1.00 0.30 C ATOM 625 O ILE A 46 -3.839 -7.646 -3.450 1.00 0.34 O ATOM 626 CB ILE A 46 -6.026 -6.154 -5.073 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.469 -6.004 -5.552 1.00 0.44 C ATOM 628 CG2 ILE A 46 -5.097 -5.365 -5.974 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.500 -6.055 -4.444 1.00 0.40 C ATOM 0 H ILE A 46 -6.482 -8.035 -3.186 1.00 0.38 H new ATOM 0 HA ILE A 46 -5.754 -8.041 -6.050 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.952 -5.761 -4.059 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.568 -5.056 -6.081 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -7.685 -6.794 -6.271 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -5.400 -4.318 -5.982 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -4.075 -5.444 -5.602 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -5.147 -5.764 -6.987 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.497 -5.941 -4.869 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.433 -7.013 -3.928 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -8.313 -5.248 -3.736 1.00 0.40 H new ATOM 641 N LYS A 47 -3.260 -8.013 -5.578 1.00 0.31 N ATOM 642 CA LYS A 47 -1.851 -8.168 -5.250 1.00 0.38 C ATOM 643 C LYS A 47 -0.933 -7.653 -6.356 1.00 0.41 C ATOM 644 O LYS A 47 -0.977 -8.132 -7.487 1.00 0.51 O ATOM 645 CB LYS A 47 -1.538 -9.622 -4.958 1.00 0.51 C ATOM 646 CG LYS A 47 -0.111 -9.842 -4.498 1.00 0.91 C ATOM 647 CD LYS A 47 0.065 -11.229 -3.929 1.00 1.56 C ATOM 648 CE LYS A 47 1.494 -11.465 -3.478 1.00 2.17 C ATOM 649 NZ LYS A 47 1.695 -12.839 -2.951 1.00 2.74 N ATOM 0 H LYS A 47 -3.483 -8.116 -6.568 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.663 -7.564 -4.363 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.221 -9.988 -4.191 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -1.720 -10.214 -5.855 1.00 0.51 H new ATOM 0 HG2 LYS A 47 0.571 -9.699 -5.336 1.00 0.91 H new ATOM 0 HG3 LYS A 47 0.151 -9.100 -3.744 1.00 0.91 H new ATOM 0 HD2 LYS A 47 -0.612 -11.366 -3.086 1.00 1.56 H new ATOM 0 HD3 LYS A 47 -0.208 -11.970 -4.681 1.00 1.56 H new ATOM 0 HE2 LYS A 47 2.170 -11.296 -4.316 1.00 2.17 H new ATOM 0 HE3 LYS A 47 1.755 -10.740 -2.707 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 2.685 -12.956 -2.655 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 1.069 -12.993 -2.135 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 1.472 -13.532 -3.694 1.00 2.74 H new ATOM 663 N GLN A 48 -0.100 -6.680 -6.015 1.00 0.40 N ATOM 664 CA GLN A 48 0.966 -6.230 -6.899 1.00 0.47 C ATOM 665 C GLN A 48 2.311 -6.520 -6.256 1.00 0.50 C ATOM 666 O GLN A 48 2.633 -5.978 -5.200 1.00 0.78 O ATOM 667 CB GLN A 48 0.856 -4.733 -7.201 1.00 0.52 C ATOM 668 CG GLN A 48 -0.206 -4.382 -8.231 1.00 0.55 C ATOM 669 CD GLN A 48 -0.180 -2.913 -8.609 1.00 0.82 C ATOM 670 OE1 GLN A 48 0.864 -2.262 -8.555 1.00 1.63 O ATOM 671 NE2 GLN A 48 -1.322 -2.386 -9.011 1.00 1.37 N ATOM 0 H GLN A 48 -0.143 -6.184 -5.125 1.00 0.40 H new ATOM 0 HA GLN A 48 0.874 -6.770 -7.841 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.637 -4.202 -6.275 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.822 -4.373 -7.554 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -0.056 -4.987 -9.125 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.190 -4.636 -7.836 1.00 0.55 H new ATOM 0 HE21 GLN A 48 -2.165 -2.959 -9.042 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -1.361 -1.406 -9.291 1.00 1.37 H new ATOM 680 N ALA A 49 3.097 -7.374 -6.888 1.00 0.32 N ATOM 681 CA ALA A 49 4.376 -7.777 -6.330 1.00 0.31 C ATOM 682 C ALA A 49 5.465 -7.743 -7.386 1.00 0.31 C ATOM 683 O ALA A 49 5.213 -8.020 -8.562 1.00 0.39 O ATOM 684 CB ALA A 49 4.265 -9.165 -5.719 1.00 0.33 C ATOM 0 H ALA A 49 2.873 -7.801 -7.787 1.00 0.32 H new ATOM 0 HA ALA A 49 4.648 -7.069 -5.547 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.229 -9.458 -5.303 1.00 0.33 H new ATOM 0 HB2 ALA A 49 3.516 -9.155 -4.927 1.00 0.33 H new ATOM 0 HB3 ALA A 49 3.970 -9.879 -6.488 1.00 0.33 H new ATOM 690 N GLY A 50 6.670 -7.392 -6.969 1.00 0.25 N ATOM 691 CA GLY A 50 7.787 -7.341 -7.883 1.00 0.26 C ATOM 692 C GLY A 50 8.887 -6.451 -7.371 1.00 0.23 C ATOM 693 O GLY A 50 9.195 -6.453 -6.178 1.00 0.25 O ATOM 0 H GLY A 50 6.894 -7.140 -6.006 1.00 0.25 H new ATOM 0 HA2 GLY A 50 8.176 -8.347 -8.038 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.447 -6.978 -8.853 1.00 0.26 H new ATOM 697 N ALA A 51 9.472 -5.682 -8.265 1.00 0.23 N ATOM 698 CA ALA A 51 10.538 -4.781 -7.906 1.00 0.21 C ATOM 699 C ALA A 51 10.341 -3.442 -8.600 1.00 0.23 C ATOM 700 O ALA A 51 9.898 -3.389 -9.749 1.00 0.38 O ATOM 701 CB ALA A 51 11.880 -5.386 -8.265 1.00 0.23 C ATOM 0 H ALA A 51 9.222 -5.666 -9.254 1.00 0.23 H new ATOM 0 HA ALA A 51 10.519 -4.616 -6.829 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.676 -4.695 -7.988 1.00 0.23 H new ATOM 0 HB2 ALA A 51 12.011 -6.325 -7.727 1.00 0.23 H new ATOM 0 HB3 ALA A 51 11.919 -5.574 -9.338 1.00 0.23 H new ATOM 707 N PHE A 52 10.660 -2.373 -7.902 1.00 0.15 N ATOM 708 CA PHE A 52 10.471 -1.031 -8.419 1.00 0.16 C ATOM 709 C PHE A 52 11.602 -0.142 -7.907 1.00 0.14 C ATOM 710 O PHE A 52 12.440 -0.592 -7.122 1.00 0.16 O ATOM 711 CB PHE A 52 9.085 -0.512 -8.000 1.00 0.17 C ATOM 712 CG PHE A 52 8.738 0.869 -8.486 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.580 1.133 -9.837 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.574 1.904 -7.581 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.264 2.407 -10.274 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.260 3.179 -8.010 1.00 0.18 C ATOM 717 CZ PHE A 52 8.104 3.431 -9.360 1.00 0.23 C ATOM 0 H PHE A 52 11.057 -2.407 -6.963 1.00 0.15 H new ATOM 0 HA PHE A 52 10.505 -1.025 -9.508 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.330 -1.208 -8.366 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.026 -0.521 -6.912 1.00 0.17 H new ATOM 0 HD1 PHE A 52 8.705 0.337 -10.556 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.693 1.712 -6.525 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.142 2.601 -11.329 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.137 3.977 -7.292 1.00 0.18 H new ATOM 0 HZ PHE A 52 7.858 4.426 -9.700 1.00 0.23 H new ATOM 727 N THR A 53 11.643 1.098 -8.355 1.00 0.15 N ATOM 728 CA THR A 53 12.695 2.007 -7.955 1.00 0.16 C ATOM 729 C THR A 53 12.345 2.718 -6.665 1.00 0.16 C ATOM 730 O THR A 53 11.215 3.171 -6.477 1.00 0.27 O ATOM 731 CB THR A 53 12.984 3.046 -9.044 1.00 0.21 C ATOM 732 OG1 THR A 53 11.864 3.147 -9.941 1.00 0.43 O ATOM 733 CG2 THR A 53 14.247 2.680 -9.803 1.00 0.40 C ATOM 0 H THR A 53 10.958 1.498 -8.997 1.00 0.15 H new ATOM 0 HA THR A 53 13.589 1.404 -7.798 1.00 0.16 H new ATOM 0 HB THR A 53 13.139 4.016 -8.572 1.00 0.21 H new ATOM 0 HG1 THR A 53 12.057 3.814 -10.632 1.00 0.43 H new ATOM 0 HG21 THR A 53 14.438 3.428 -10.573 1.00 0.40 H new ATOM 0 HG22 THR A 53 15.090 2.646 -9.112 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.121 1.703 -10.270 1.00 0.40 H new ATOM 741 N ALA A 54 13.315 2.821 -5.784 1.00 0.13 N ATOM 742 CA ALA A 54 13.108 3.468 -4.511 1.00 0.13 C ATOM 743 C ALA A 54 14.196 4.498 -4.262 1.00 0.14 C ATOM 744 O ALA A 54 15.356 4.274 -4.593 1.00 0.23 O ATOM 745 CB ALA A 54 13.059 2.436 -3.395 1.00 0.15 C ATOM 0 H ALA A 54 14.259 2.463 -5.928 1.00 0.13 H new ATOM 0 HA ALA A 54 12.150 3.988 -4.529 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.902 2.939 -2.441 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.239 1.741 -3.578 1.00 0.15 H new ATOM 0 HB3 ALA A 54 14.000 1.887 -3.365 1.00 0.15 H new ATOM 751 N ILE A 55 13.815 5.633 -3.706 1.00 0.17 N ATOM 752 CA ILE A 55 14.758 6.705 -3.437 1.00 0.18 C ATOM 753 C ILE A 55 15.026 6.819 -1.953 1.00 0.16 C ATOM 754 O ILE A 55 14.107 6.723 -1.140 1.00 0.14 O ATOM 755 CB ILE A 55 14.246 8.040 -3.975 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.217 7.991 -5.495 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.109 9.187 -3.480 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.183 8.940 -6.162 1.00 0.33 C ATOM 0 H ILE A 55 12.855 5.838 -3.430 1.00 0.17 H new ATOM 0 HA ILE A 55 15.689 6.461 -3.949 1.00 0.18 H new ATOM 0 HB ILE A 55 13.234 8.212 -3.608 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.441 6.975 -5.819 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.207 8.219 -5.836 1.00 0.26 H new ATOM 0 HG21 ILE A 55 14.726 10.128 -3.876 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.086 9.215 -2.391 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.135 9.042 -3.818 1.00 0.23 H new ATOM 0 HD11 ILE A 55 15.100 8.843 -7.244 1.00 0.33 H new ATOM 0 HD12 ILE A 55 14.947 9.963 -5.870 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.200 8.700 -5.854 1.00 0.33 H new ATOM 770 N ALA A 56 16.290 7.025 -1.624 1.00 0.17 N ATOM 771 CA ALA A 56 16.728 7.090 -0.235 1.00 0.18 C ATOM 772 C ALA A 56 16.018 8.184 0.543 1.00 0.17 C ATOM 773 O ALA A 56 16.062 9.358 0.174 1.00 0.20 O ATOM 774 CB ALA A 56 18.226 7.277 -0.128 1.00 0.22 C ATOM 0 H ALA A 56 17.039 7.151 -2.305 1.00 0.17 H new ATOM 0 HA ALA A 56 16.462 6.131 0.209 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.513 7.321 0.923 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.732 6.440 -0.608 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.513 8.206 -0.621 1.00 0.22 H new ATOM 780 N GLU A 57 15.348 7.762 1.612 1.00 0.16 N ATOM 781 CA GLU A 57 14.639 8.649 2.518 1.00 0.18 C ATOM 782 C GLU A 57 13.465 9.315 1.812 1.00 0.19 C ATOM 783 O GLU A 57 12.924 10.321 2.271 1.00 0.28 O ATOM 784 CB GLU A 57 15.605 9.664 3.107 1.00 0.23 C ATOM 785 CG GLU A 57 16.730 9.008 3.896 1.00 0.27 C ATOM 786 CD GLU A 57 17.776 10.000 4.351 1.00 0.74 C ATOM 787 OE1 GLU A 57 17.609 10.581 5.444 1.00 0.75 O ATOM 788 OE2 GLU A 57 18.771 10.204 3.621 1.00 1.33 O ATOM 0 H GLU A 57 15.284 6.778 1.874 1.00 0.16 H new ATOM 0 HA GLU A 57 14.224 8.067 3.341 1.00 0.18 H new ATOM 0 HB2 GLU A 57 16.031 10.264 2.303 1.00 0.23 H new ATOM 0 HB3 GLU A 57 15.058 10.346 3.758 1.00 0.23 H new ATOM 0 HG2 GLU A 57 16.312 8.502 4.766 1.00 0.27 H new ATOM 0 HG3 GLU A 57 17.203 8.244 3.280 1.00 0.27 H new ATOM 795 N GLN A 58 13.079 8.714 0.699 1.00 0.16 N ATOM 796 CA GLN A 58 11.913 9.101 -0.042 1.00 0.18 C ATOM 797 C GLN A 58 10.854 8.043 0.091 1.00 0.17 C ATOM 798 O GLN A 58 11.144 6.866 0.317 1.00 0.19 O ATOM 799 CB GLN A 58 12.230 9.290 -1.498 1.00 0.20 C ATOM 800 CG GLN A 58 12.488 10.732 -1.883 1.00 0.28 C ATOM 801 CD GLN A 58 11.747 11.747 -1.030 1.00 0.70 C ATOM 802 OE1 GLN A 58 10.626 12.137 -1.354 1.00 1.38 O ATOM 803 NE2 GLN A 58 12.370 12.201 0.046 1.00 1.48 N ATOM 0 H GLN A 58 13.584 7.930 0.286 1.00 0.16 H new ATOM 0 HA GLN A 58 11.557 10.047 0.365 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.107 8.693 -1.750 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.402 8.907 -2.094 1.00 0.20 H new ATOM 0 HG2 GLN A 58 13.558 10.929 -1.814 1.00 0.28 H new ATOM 0 HG3 GLN A 58 12.204 10.874 -2.926 1.00 0.28 H new ATOM 0 HE21 GLN A 58 13.299 11.853 0.282 1.00 1.48 H new ATOM 0 HE22 GLN A 58 11.921 12.899 0.639 1.00 1.48 H new ATOM 812 N ARG A 59 9.637 8.478 -0.038 1.00 0.16 N ATOM 813 CA ARG A 59 8.499 7.586 -0.001 1.00 0.17 C ATOM 814 C ARG A 59 8.167 7.090 -1.393 1.00 0.17 C ATOM 815 O ARG A 59 7.983 7.875 -2.326 1.00 0.22 O ATOM 816 CB ARG A 59 7.284 8.274 0.590 1.00 0.24 C ATOM 817 CG ARG A 59 7.241 8.260 2.104 1.00 0.30 C ATOM 818 CD ARG A 59 8.372 9.050 2.714 1.00 0.44 C ATOM 819 NE ARG A 59 8.326 10.459 2.335 1.00 1.37 N ATOM 820 CZ ARG A 59 9.104 11.403 2.861 1.00 1.72 C ATOM 821 NH1 ARG A 59 9.958 11.108 3.836 1.00 1.51 N ATOM 822 NH2 ARG A 59 9.021 12.649 2.416 1.00 2.72 N ATOM 0 H ARG A 59 9.396 9.460 -0.172 1.00 0.16 H new ATOM 0 HA ARG A 59 8.765 6.739 0.631 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.262 9.308 0.246 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.385 7.792 0.207 1.00 0.24 H new ATOM 0 HG2 ARG A 59 6.290 8.670 2.442 1.00 0.30 H new ATOM 0 HG3 ARG A 59 7.288 7.230 2.458 1.00 0.30 H new ATOM 0 HD2 ARG A 59 8.328 8.966 3.800 1.00 0.44 H new ATOM 0 HD3 ARG A 59 9.324 8.622 2.399 1.00 0.44 H new ATOM 0 HE ARG A 59 7.654 10.739 1.621 1.00 1.37 H new ATOM 0 HH11 ARG A 59 10.021 10.152 4.187 1.00 1.51 H new ATOM 0 HH12 ARG A 59 10.550 11.837 4.233 1.00 1.51 H new ATOM 0 HH21 ARG A 59 8.363 12.882 1.673 1.00 2.72 H new ATOM 0 HH22 ARG A 59 9.616 13.374 2.817 1.00 2.72 H new ATOM 836 N VAL A 60 8.094 5.788 -1.520 1.00 0.13 N ATOM 837 CA VAL A 60 7.764 5.149 -2.766 1.00 0.14 C ATOM 838 C VAL A 60 6.487 4.363 -2.587 1.00 0.13 C ATOM 839 O VAL A 60 6.467 3.350 -1.899 1.00 0.12 O ATOM 840 CB VAL A 60 8.918 4.222 -3.209 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.500 3.318 -4.360 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.117 5.067 -3.603 1.00 0.15 C ATOM 0 H VAL A 60 8.264 5.138 -0.753 1.00 0.13 H new ATOM 0 HA VAL A 60 7.619 5.901 -3.542 1.00 0.14 H new ATOM 0 HB VAL A 60 9.184 3.576 -2.372 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.337 2.680 -4.644 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.660 2.697 -4.048 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.203 3.928 -5.213 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.934 4.416 -3.916 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.842 5.727 -4.426 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.437 5.665 -2.750 1.00 0.15 H new ATOM 852 N THR A 61 5.417 4.818 -3.199 1.00 0.15 N ATOM 853 CA THR A 61 4.142 4.190 -2.969 1.00 0.15 C ATOM 854 C THR A 61 3.914 3.081 -3.972 1.00 0.16 C ATOM 855 O THR A 61 4.036 3.273 -5.182 1.00 0.19 O ATOM 856 CB THR A 61 2.985 5.192 -2.988 1.00 0.17 C ATOM 857 OG1 THR A 61 3.407 6.448 -2.435 1.00 0.19 O ATOM 858 CG2 THR A 61 1.834 4.636 -2.178 1.00 0.19 C ATOM 0 H THR A 61 5.405 5.605 -3.847 1.00 0.15 H new ATOM 0 HA THR A 61 4.167 3.761 -1.967 1.00 0.15 H new ATOM 0 HB THR A 61 2.666 5.354 -4.017 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.659 7.081 -2.454 1.00 0.19 H new ATOM 0 HG21 THR A 61 1.006 5.345 -2.188 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.507 3.691 -2.612 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.158 4.471 -1.151 1.00 0.19 H new ATOM 866 N VAL A 62 3.593 1.919 -3.449 1.00 0.15 N ATOM 867 CA VAL A 62 3.622 0.709 -4.223 1.00 0.15 C ATOM 868 C VAL A 62 2.270 0.006 -4.256 1.00 0.15 C ATOM 869 O VAL A 62 1.567 -0.059 -3.248 1.00 0.16 O ATOM 870 CB VAL A 62 4.727 -0.225 -3.668 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.446 -1.701 -3.941 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.079 0.189 -4.236 1.00 0.16 C ATOM 0 H VAL A 62 3.306 1.791 -2.479 1.00 0.15 H new ATOM 0 HA VAL A 62 3.851 0.971 -5.256 1.00 0.15 H new ATOM 0 HB VAL A 62 4.739 -0.115 -2.584 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.253 -2.307 -3.530 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.504 -1.985 -3.472 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.380 -1.866 -5.016 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.855 -0.469 -3.845 1.00 0.16 H new ATOM 0 HG22 VAL A 62 6.055 0.115 -5.323 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.296 1.217 -3.947 1.00 0.16 H new ATOM 882 N GLY A 63 1.915 -0.492 -5.438 1.00 0.18 N ATOM 883 CA GLY A 63 0.695 -1.253 -5.602 1.00 0.21 C ATOM 884 C GLY A 63 -0.519 -0.372 -5.761 1.00 0.20 C ATOM 885 O GLY A 63 -1.503 -0.536 -5.048 1.00 0.28 O ATOM 0 H GLY A 63 2.460 -0.378 -6.292 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.788 -1.899 -6.475 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.557 -1.903 -4.738 1.00 0.21 H new ATOM 889 N ASN A 64 -0.448 0.562 -6.699 1.00 0.33 N ATOM 890 CA ASN A 64 -1.547 1.481 -6.937 1.00 0.40 C ATOM 891 C ASN A 64 -2.688 0.773 -7.645 1.00 0.37 C ATOM 892 O ASN A 64 -2.602 0.426 -8.824 1.00 0.52 O ATOM 893 CB ASN A 64 -1.085 2.708 -7.739 1.00 0.67 C ATOM 894 CG ASN A 64 -0.224 2.359 -8.941 1.00 1.31 C ATOM 895 OD1 ASN A 64 -0.727 2.109 -10.035 1.00 2.17 O ATOM 896 ND2 ASN A 64 1.087 2.361 -8.749 1.00 1.98 N ATOM 0 H ASN A 64 0.360 0.702 -7.306 1.00 0.33 H new ATOM 0 HA ASN A 64 -1.906 1.834 -5.970 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -1.961 3.261 -8.078 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -0.524 3.372 -7.081 1.00 0.67 H new ATOM 0 HD21 ASN A 64 1.716 2.150 -9.524 1.00 1.98 H new ATOM 0 HD22 ASN A 64 1.467 2.573 -7.827 1.00 1.98 H new ATOM 903 N VAL A 65 -3.749 0.553 -6.897 1.00 0.25 N ATOM 904 CA VAL A 65 -4.950 -0.078 -7.414 1.00 0.33 C ATOM 905 C VAL A 65 -6.157 0.793 -7.091 1.00 0.27 C ATOM 906 O VAL A 65 -6.218 1.399 -6.023 1.00 0.35 O ATOM 907 CB VAL A 65 -5.138 -1.502 -6.835 1.00 0.43 C ATOM 908 CG1 VAL A 65 -3.877 -2.327 -7.049 1.00 1.29 C ATOM 909 CG2 VAL A 65 -5.505 -1.464 -5.359 1.00 1.10 C ATOM 0 H VAL A 65 -3.805 0.807 -5.911 1.00 0.25 H new ATOM 0 HA VAL A 65 -4.851 -0.178 -8.495 1.00 0.33 H new ATOM 0 HB VAL A 65 -5.965 -1.972 -7.367 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -4.022 -3.326 -6.638 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -3.667 -2.401 -8.116 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -3.038 -1.846 -6.547 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -5.629 -2.482 -4.988 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -4.712 -0.968 -4.800 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -6.438 -0.915 -5.230 1.00 1.10 H new ATOM 919 N VAL A 66 -7.097 0.895 -8.012 1.00 0.25 N ATOM 920 CA VAL A 66 -8.211 1.809 -7.827 1.00 0.23 C ATOM 921 C VAL A 66 -9.516 1.066 -7.587 1.00 0.24 C ATOM 922 O VAL A 66 -9.946 0.242 -8.396 1.00 0.27 O ATOM 923 CB VAL A 66 -8.366 2.770 -9.020 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.483 3.768 -8.764 1.00 0.30 C ATOM 925 CG2 VAL A 66 -7.056 3.494 -9.282 1.00 0.29 C ATOM 0 H VAL A 66 -7.114 0.365 -8.884 1.00 0.25 H new ATOM 0 HA VAL A 66 -7.982 2.398 -6.939 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.627 2.187 -9.903 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.576 4.438 -9.619 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.422 3.234 -8.618 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.254 4.350 -7.871 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -7.177 4.171 -10.128 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.773 4.065 -8.398 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.277 2.766 -9.509 1.00 0.29 H new ATOM 935 N LEU A 67 -10.130 1.371 -6.458 1.00 0.22 N ATOM 936 CA LEU A 67 -11.404 0.793 -6.072 1.00 0.23 C ATOM 937 C LEU A 67 -12.495 1.844 -6.244 1.00 0.24 C ATOM 938 O LEU A 67 -12.198 3.023 -6.448 1.00 0.26 O ATOM 939 CB LEU A 67 -11.391 0.356 -4.600 1.00 0.21 C ATOM 940 CG LEU A 67 -10.212 -0.501 -4.110 1.00 0.19 C ATOM 941 CD1 LEU A 67 -9.970 -1.682 -5.036 1.00 0.25 C ATOM 942 CD2 LEU A 67 -8.941 0.328 -3.935 1.00 0.18 C ATOM 0 H LEU A 67 -9.755 2.032 -5.778 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.589 -0.078 -6.701 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.428 1.255 -3.985 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.309 -0.199 -4.409 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.483 -0.891 -3.129 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -9.131 -2.270 -4.664 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -10.863 -2.306 -5.071 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.743 -1.318 -6.038 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.132 -0.315 -3.588 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.664 0.776 -4.890 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.118 1.116 -3.203 1.00 0.18 H new ATOM 954 N ASP A 68 -13.748 1.429 -6.173 1.00 0.26 N ATOM 955 CA ASP A 68 -14.850 2.376 -6.072 1.00 0.28 C ATOM 956 C ASP A 68 -14.870 2.942 -4.661 1.00 0.28 C ATOM 957 O ASP A 68 -14.762 2.194 -3.693 1.00 0.30 O ATOM 958 CB ASP A 68 -16.183 1.714 -6.391 1.00 0.32 C ATOM 959 CG ASP A 68 -16.294 1.260 -7.833 1.00 0.79 C ATOM 960 OD1 ASP A 68 -15.836 0.140 -8.147 1.00 0.92 O ATOM 961 OD2 ASP A 68 -16.835 2.023 -8.661 1.00 1.25 O ATOM 0 H ASP A 68 -14.029 0.449 -6.183 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.702 3.174 -6.799 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -16.321 0.855 -5.735 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -16.990 2.414 -6.174 1.00 0.32 H new ATOM 966 N TYR A 69 -14.985 4.253 -4.531 1.00 0.28 N ATOM 967 CA TYR A 69 -14.882 4.880 -3.219 1.00 0.27 C ATOM 968 C TYR A 69 -16.142 4.672 -2.397 1.00 0.27 C ATOM 969 O TYR A 69 -17.233 5.088 -2.786 1.00 0.30 O ATOM 970 CB TYR A 69 -14.584 6.372 -3.342 1.00 0.29 C ATOM 971 CG TYR A 69 -14.780 7.137 -2.052 1.00 0.28 C ATOM 972 CD1 TYR A 69 -14.148 6.737 -0.881 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.594 8.261 -2.012 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.330 7.441 0.303 1.00 0.27 C ATOM 975 CE2 TYR A 69 -15.780 8.965 -0.840 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.147 8.551 0.311 1.00 0.30 C ATOM 977 OH TYR A 69 -15.341 9.246 1.478 1.00 0.33 O ATOM 0 H TYR A 69 -15.147 4.898 -5.304 1.00 0.28 H new ATOM 0 HA TYR A 69 -14.053 4.397 -2.702 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.556 6.502 -3.679 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -15.228 6.800 -4.110 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.507 5.868 -0.891 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -16.090 8.590 -2.913 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -13.836 7.121 1.209 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.418 9.836 -0.825 1.00 0.32 H new ATOM 0 HH TYR A 69 -15.943 10.002 1.313 1.00 0.33 H new ATOM 987 N SER A 70 -15.987 4.006 -1.267 1.00 0.25 N ATOM 988 CA SER A 70 -17.054 3.872 -0.317 1.00 0.27 C ATOM 989 C SER A 70 -16.489 3.937 1.093 1.00 0.29 C ATOM 990 O SER A 70 -15.630 3.135 1.460 1.00 0.28 O ATOM 991 CB SER A 70 -17.794 2.578 -0.570 1.00 0.30 C ATOM 992 OG SER A 70 -18.610 2.670 -1.725 1.00 0.99 O ATOM 0 H SER A 70 -15.118 3.548 -0.991 1.00 0.25 H new ATOM 0 HA SER A 70 -17.765 4.690 -0.428 1.00 0.27 H new ATOM 0 HB2 SER A 70 -17.078 1.765 -0.691 1.00 0.30 H new ATOM 0 HB3 SER A 70 -18.410 2.334 0.295 1.00 0.30 H new ATOM 0 HG SER A 70 -18.395 3.492 -2.213 1.00 0.99 H new ATOM 998 N SER A 71 -16.950 4.909 1.866 1.00 0.36 N ATOM 999 CA SER A 71 -16.438 5.132 3.210 1.00 0.42 C ATOM 1000 C SER A 71 -16.752 3.953 4.123 1.00 0.43 C ATOM 1001 O SER A 71 -16.000 3.655 5.052 1.00 0.50 O ATOM 1002 CB SER A 71 -17.025 6.413 3.778 1.00 0.50 C ATOM 1003 OG SER A 71 -18.440 6.417 3.687 1.00 0.54 O ATOM 0 H SER A 71 -17.683 5.560 1.583 1.00 0.36 H new ATOM 0 HA SER A 71 -15.354 5.228 3.153 1.00 0.42 H new ATOM 0 HB2 SER A 71 -16.725 6.522 4.820 1.00 0.50 H new ATOM 0 HB3 SER A 71 -16.622 7.270 3.239 1.00 0.50 H new ATOM 0 HG SER A 71 -18.790 7.252 4.062 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.857 3.280 3.836 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.292 2.140 4.626 1.00 0.43 C ATOM 1011 C ALA A 72 -17.701 0.844 4.094 1.00 0.40 C ATOM 1012 O ALA A 72 -17.970 -0.232 4.624 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.805 2.057 4.626 1.00 0.47 C ATOM 0 H ALA A 72 -18.472 3.507 3.055 1.00 0.39 H new ATOM 0 HA ALA A 72 -17.937 2.280 5.647 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -20.122 1.200 5.220 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -20.219 2.969 5.055 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -20.163 1.942 3.603 1.00 0.47 H new ATOM 1019 N ASN A 73 -16.895 0.943 3.049 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.330 -0.233 2.425 1.00 0.30 C ATOM 1021 C ASN A 73 -14.992 -0.578 3.045 1.00 0.33 C ATOM 1022 O ASN A 73 -14.144 0.293 3.237 1.00 0.47 O ATOM 1023 CB ASN A 73 -16.175 -0.013 0.932 1.00 0.32 C ATOM 1024 CG ASN A 73 -17.061 -0.948 0.127 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -18.128 -1.358 0.586 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -16.638 -1.290 -1.077 1.00 0.95 N ATOM 0 H ASN A 73 -16.620 1.826 2.619 1.00 0.32 H new ATOM 0 HA ASN A 73 -17.011 -1.068 2.589 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.423 1.020 0.690 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -15.134 -0.166 0.649 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -17.200 -1.912 -1.658 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -15.749 -0.932 -1.426 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.808 -1.846 3.370 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.566 -2.299 3.966 1.00 0.35 C ATOM 1035 C ARG A 74 -12.493 -2.427 2.899 1.00 0.27 C ATOM 1036 O ARG A 74 -12.561 -3.296 2.037 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.769 -3.646 4.660 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.790 -3.610 5.785 1.00 0.73 C ATOM 1039 CD ARG A 74 -14.332 -2.741 6.942 1.00 1.02 C ATOM 1040 NE ARG A 74 -15.397 -2.539 7.921 1.00 1.49 N ATOM 1041 CZ ARG A 74 -15.192 -2.204 9.194 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -13.959 -2.115 9.675 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -16.225 -1.984 9.994 1.00 2.50 N ATOM 0 H ARG A 74 -15.504 -2.579 3.231 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.248 -1.565 4.707 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.084 -4.381 3.920 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -12.814 -3.985 5.060 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.738 -3.233 5.402 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -14.971 -4.624 6.143 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -13.474 -3.205 7.428 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -13.999 -1.775 6.562 1.00 1.02 H new ATOM 0 HE ARG A 74 -16.360 -2.662 7.610 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -13.160 -2.304 9.069 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -13.810 -1.858 10.651 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -17.176 -2.071 9.635 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -16.069 -1.727 10.969 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.525 -1.539 2.947 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.365 -1.634 2.089 1.00 0.14 C ATOM 1059 C TYR A 75 -9.129 -1.702 2.942 1.00 0.13 C ATOM 1060 O TYR A 75 -8.807 -0.754 3.651 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.264 -0.441 1.153 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.424 -0.318 0.213 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.809 -1.395 -0.556 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.130 0.870 0.093 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.870 -1.303 -1.422 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.197 0.973 -0.776 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.561 -0.119 -1.531 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.623 -0.029 -2.396 1.00 0.35 O ATOM 0 H TYR A 75 -11.519 -0.737 3.577 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.461 -2.533 1.481 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.189 0.470 1.746 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.344 -0.521 0.574 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.267 -2.326 -0.476 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -11.841 1.725 0.687 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -13.161 -2.157 -2.015 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.741 1.902 -0.863 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.862 0.913 -2.524 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.457 -2.821 2.893 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.244 -2.997 3.656 1.00 0.13 C ATOM 1080 C ALA A 76 -6.098 -3.331 2.739 1.00 0.12 C ATOM 1081 O ALA A 76 -6.298 -3.647 1.573 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.398 -4.068 4.708 1.00 0.16 C ATOM 0 H ALA A 76 -8.728 -3.629 2.332 1.00 0.14 H new ATOM 0 HA ALA A 76 -7.034 -2.057 4.167 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.465 -4.171 5.261 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.198 -3.791 5.395 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.643 -5.016 4.229 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.901 -3.262 3.263 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.727 -3.490 2.466 1.00 0.13 C ATOM 1090 C ALA A 77 -2.655 -4.145 3.302 1.00 0.14 C ATOM 1091 O ALA A 77 -2.752 -4.185 4.523 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.226 -2.189 1.867 1.00 0.12 C ATOM 0 H ALA A 77 -4.715 -3.049 4.243 1.00 0.13 H new ATOM 0 HA ALA A 77 -3.984 -4.159 1.645 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.337 -2.383 1.267 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -4.002 -1.756 1.236 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.979 -1.491 2.667 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.666 -4.689 2.641 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.551 -5.325 3.303 1.00 0.16 C ATOM 1100 C ARG A 78 0.642 -5.355 2.367 1.00 0.14 C ATOM 1101 O ARG A 78 0.571 -5.900 1.266 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.946 -6.719 3.773 1.00 0.23 C ATOM 1103 CG ARG A 78 -1.319 -7.656 2.660 1.00 0.56 C ATOM 1104 CD ARG A 78 -0.175 -8.595 2.385 1.00 1.56 C ATOM 1105 NE ARG A 78 -0.630 -9.874 1.851 1.00 2.06 N ATOM 1106 CZ ARG A 78 0.126 -10.966 1.772 1.00 2.77 C ATOM 1107 NH1 ARG A 78 1.392 -10.939 2.172 1.00 3.25 N ATOM 1108 NH2 ARG A 78 -0.389 -12.088 1.288 1.00 3.35 N ATOM 0 H ARG A 78 -1.609 -4.705 1.623 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.269 -4.754 4.188 1.00 0.16 H new ATOM 0 HB2 ARG A 78 -0.117 -7.150 4.335 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.788 -6.635 4.461 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -2.210 -8.222 2.931 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -1.562 -7.090 1.761 1.00 0.56 H new ATOM 0 HD2 ARG A 78 0.512 -8.131 1.677 1.00 1.56 H new ATOM 0 HD3 ARG A 78 0.383 -8.765 3.306 1.00 1.56 H new ATOM 0 HE ARG A 78 -1.591 -9.935 1.516 1.00 2.06 H new ATOM 0 HH11 ARG A 78 1.791 -10.077 2.543 1.00 3.25 H new ATOM 0 HH12 ARG A 78 1.965 -11.780 2.108 1.00 3.25 H new ATOM 0 HH21 ARG A 78 -1.361 -12.111 0.978 1.00 3.35 H new ATOM 0 HH22 ARG A 78 0.186 -12.928 1.225 1.00 3.35 H new ATOM 1122 N LEU A 79 1.721 -4.720 2.767 1.00 0.17 N ATOM 1123 CA LEU A 79 2.894 -4.682 1.928 1.00 0.15 C ATOM 1124 C LEU A 79 4.034 -5.412 2.591 1.00 0.15 C ATOM 1125 O LEU A 79 4.394 -5.127 3.728 1.00 0.22 O ATOM 1126 CB LEU A 79 3.311 -3.250 1.606 1.00 0.16 C ATOM 1127 CG LEU A 79 3.954 -3.065 0.224 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.203 -1.597 -0.060 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.241 -3.875 0.102 1.00 0.16 C ATOM 0 H LEU A 79 1.809 -4.229 3.657 1.00 0.17 H new ATOM 0 HA LEU A 79 2.643 -5.177 0.990 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.434 -2.607 1.673 1.00 0.16 H new ATOM 0 HB3 LEU A 79 4.014 -2.911 2.367 1.00 0.16 H new ATOM 0 HG LEU A 79 3.257 -3.440 -0.525 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.659 -1.489 -1.044 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.257 -1.056 -0.037 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.873 -1.188 0.697 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.674 -3.724 -0.887 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.950 -3.548 0.862 1.00 0.16 H new ATOM 0 HD23 LEU A 79 5.020 -4.933 0.244 1.00 0.16 H new ATOM 1141 N ASP A 80 4.586 -6.355 1.866 1.00 0.12 N ATOM 1142 CA ASP A 80 5.743 -7.093 2.306 1.00 0.12 C ATOM 1143 C ASP A 80 6.963 -6.628 1.529 1.00 0.11 C ATOM 1144 O ASP A 80 7.023 -6.768 0.316 1.00 0.15 O ATOM 1145 CB ASP A 80 5.516 -8.588 2.096 1.00 0.15 C ATOM 1146 CG ASP A 80 4.452 -9.168 3.008 1.00 1.16 C ATOM 1147 OD1 ASP A 80 3.248 -9.042 2.686 1.00 2.22 O ATOM 1148 OD2 ASP A 80 4.811 -9.781 4.035 1.00 1.06 O ATOM 0 H ASP A 80 4.241 -6.633 0.947 1.00 0.12 H new ATOM 0 HA ASP A 80 5.908 -6.914 3.368 1.00 0.12 H new ATOM 0 HB2 ASP A 80 5.230 -8.763 1.059 1.00 0.15 H new ATOM 0 HB3 ASP A 80 6.454 -9.118 2.261 1.00 0.15 H new ATOM 1153 N VAL A 81 7.922 -6.034 2.203 1.00 0.09 N ATOM 1154 CA VAL A 81 9.134 -5.612 1.528 1.00 0.10 C ATOM 1155 C VAL A 81 10.267 -6.553 1.890 1.00 0.12 C ATOM 1156 O VAL A 81 10.770 -6.530 3.008 1.00 0.13 O ATOM 1157 CB VAL A 81 9.539 -4.168 1.881 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.626 -3.686 0.940 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.342 -3.231 1.848 1.00 0.09 C ATOM 0 H VAL A 81 7.891 -5.833 3.203 1.00 0.09 H new ATOM 0 HA VAL A 81 8.934 -5.642 0.457 1.00 0.10 H new ATOM 0 HB VAL A 81 9.928 -4.164 2.899 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.904 -2.664 1.199 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.498 -4.334 1.029 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.258 -3.713 -0.086 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.664 -2.221 2.102 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.906 -3.233 0.849 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.597 -3.567 2.570 1.00 0.09 H new ATOM 1169 N SER A 82 10.653 -7.382 0.942 1.00 0.14 N ATOM 1170 CA SER A 82 11.721 -8.339 1.136 1.00 0.17 C ATOM 1171 C SER A 82 12.778 -8.145 0.058 1.00 0.20 C ATOM 1172 O SER A 82 12.537 -8.430 -1.119 1.00 0.25 O ATOM 1173 CB SER A 82 11.161 -9.765 1.085 1.00 0.21 C ATOM 1174 OG SER A 82 10.455 -9.990 -0.128 1.00 0.82 O ATOM 0 H SER A 82 10.233 -7.411 0.013 1.00 0.14 H new ATOM 0 HA SER A 82 12.177 -8.181 2.113 1.00 0.17 H new ATOM 0 HB2 SER A 82 11.976 -10.483 1.175 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.496 -9.929 1.933 1.00 0.21 H new ATOM 0 HG SER A 82 10.918 -9.539 -0.865 1.00 0.82 H new ATOM 1180 N PHE A 83 13.931 -7.640 0.451 1.00 0.21 N ATOM 1181 CA PHE A 83 14.996 -7.357 -0.491 1.00 0.24 C ATOM 1182 C PHE A 83 16.354 -7.424 0.203 1.00 0.24 C ATOM 1183 O PHE A 83 16.854 -6.431 0.732 1.00 0.23 O ATOM 1184 CB PHE A 83 14.762 -5.979 -1.130 1.00 0.26 C ATOM 1185 CG PHE A 83 15.881 -5.511 -2.017 1.00 0.27 C ATOM 1186 CD1 PHE A 83 16.330 -6.294 -3.067 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.485 -4.285 -1.794 1.00 0.29 C ATOM 1188 CE1 PHE A 83 17.360 -5.863 -3.877 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.515 -3.847 -2.601 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.954 -4.637 -3.644 1.00 0.34 C ATOM 0 H PHE A 83 14.155 -7.416 1.421 1.00 0.21 H new ATOM 0 HA PHE A 83 14.993 -8.110 -1.279 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.842 -6.013 -1.713 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.610 -5.245 -0.338 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.869 -7.253 -3.254 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.146 -3.664 -0.978 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.702 -6.483 -4.693 1.00 0.34 H new ATOM 0 HE2 PHE A 83 17.977 -2.888 -2.417 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.760 -4.298 -4.277 1.00 0.34 H new ATOM 1200 N GLY A 84 16.938 -8.611 0.204 1.00 0.30 N ATOM 1201 CA GLY A 84 18.246 -8.799 0.791 1.00 0.34 C ATOM 1202 C GLY A 84 18.218 -8.719 2.301 1.00 0.34 C ATOM 1203 O GLY A 84 17.738 -9.632 2.970 1.00 0.41 O ATOM 0 H GLY A 84 16.525 -9.454 -0.195 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.641 -9.769 0.489 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.928 -8.042 0.402 1.00 0.34 H new ATOM 1207 N SER A 85 18.712 -7.616 2.838 1.00 0.32 N ATOM 1208 CA SER A 85 18.793 -7.442 4.275 1.00 0.36 C ATOM 1209 C SER A 85 17.490 -6.901 4.854 1.00 0.31 C ATOM 1210 O SER A 85 17.284 -6.927 6.067 1.00 0.35 O ATOM 1211 CB SER A 85 19.949 -6.520 4.612 1.00 0.43 C ATOM 1212 OG SER A 85 19.883 -5.313 3.868 1.00 0.42 O ATOM 0 H SER A 85 19.064 -6.826 2.297 1.00 0.32 H new ATOM 0 HA SER A 85 18.965 -8.419 4.726 1.00 0.36 H new ATOM 0 HB2 SER A 85 19.936 -6.293 5.678 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.892 -7.026 4.405 1.00 0.43 H new ATOM 0 HG SER A 85 20.766 -4.889 3.854 1.00 0.42 H new ATOM 1218 N VAL A 86 16.605 -6.419 3.992 1.00 0.24 N ATOM 1219 CA VAL A 86 15.321 -5.914 4.445 1.00 0.20 C ATOM 1220 C VAL A 86 14.211 -6.941 4.238 1.00 0.17 C ATOM 1221 O VAL A 86 14.113 -7.568 3.183 1.00 0.18 O ATOM 1222 CB VAL A 86 14.924 -4.594 3.741 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.745 -4.782 2.240 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.657 -4.034 4.362 1.00 0.19 C ATOM 0 H VAL A 86 16.753 -6.368 2.984 1.00 0.24 H new ATOM 0 HA VAL A 86 15.439 -5.716 5.510 1.00 0.20 H new ATOM 0 HB VAL A 86 15.738 -3.883 3.883 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.467 -3.831 1.785 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.680 -5.134 1.803 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.960 -5.516 2.056 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.386 -3.105 3.860 1.00 0.19 H new ATOM 0 HG22 VAL A 86 12.848 -4.756 4.252 1.00 0.19 H new ATOM 0 HG23 VAL A 86 13.827 -3.838 5.421 1.00 0.19 H new ATOM 1234 N THR A 87 13.412 -7.139 5.272 1.00 0.17 N ATOM 1235 CA THR A 87 12.166 -7.874 5.151 1.00 0.17 C ATOM 1236 C THR A 87 11.178 -7.344 6.181 1.00 0.15 C ATOM 1237 O THR A 87 11.414 -7.433 7.385 1.00 0.18 O ATOM 1238 CB THR A 87 12.370 -9.383 5.366 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.497 -9.839 4.604 1.00 0.25 O ATOM 1240 CG2 THR A 87 11.128 -10.144 4.942 1.00 0.23 C ATOM 0 H THR A 87 13.607 -6.797 6.213 1.00 0.17 H new ATOM 0 HA THR A 87 11.782 -7.732 4.141 1.00 0.17 H new ATOM 0 HB THR A 87 12.555 -9.563 6.425 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.621 -10.800 4.747 1.00 0.25 H new ATOM 0 HG21 THR A 87 11.284 -11.211 5.099 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.277 -9.811 5.536 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.930 -9.957 3.887 1.00 0.23 H new ATOM 1248 N ILE A 88 10.078 -6.790 5.699 1.00 0.12 N ATOM 1249 CA ILE A 88 9.112 -6.105 6.550 1.00 0.11 C ATOM 1250 C ILE A 88 7.717 -6.251 5.981 1.00 0.10 C ATOM 1251 O ILE A 88 7.552 -6.685 4.841 1.00 0.11 O ATOM 1252 CB ILE A 88 9.407 -4.608 6.681 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.187 -3.928 5.344 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.823 -4.372 7.178 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.491 -2.455 5.366 1.00 0.09 C ATOM 0 H ILE A 88 9.827 -6.801 4.710 1.00 0.12 H new ATOM 0 HA ILE A 88 9.187 -6.568 7.534 1.00 0.11 H new ATOM 0 HB ILE A 88 8.725 -4.179 7.416 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.813 -4.409 4.593 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.151 -4.073 5.037 1.00 0.09 H new ATOM 0 HG21 ILE A 88 11.005 -3.301 7.262 1.00 0.14 H new ATOM 0 HG22 ILE A 88 10.948 -4.839 8.155 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.533 -4.807 6.474 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.312 -2.032 4.378 1.00 0.09 H new ATOM 0 HD12 ILE A 88 8.847 -1.961 6.094 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.534 -2.303 5.643 1.00 0.09 H new ATOM 1267 N GLN A 89 6.720 -5.908 6.772 1.00 0.11 N ATOM 1268 CA GLN A 89 5.351 -5.912 6.300 1.00 0.14 C ATOM 1269 C GLN A 89 4.513 -4.883 7.063 1.00 0.14 C ATOM 1270 O GLN A 89 4.800 -4.568 8.219 1.00 0.20 O ATOM 1271 CB GLN A 89 4.722 -7.308 6.426 1.00 0.22 C ATOM 1272 CG GLN A 89 4.474 -7.786 7.857 1.00 0.68 C ATOM 1273 CD GLN A 89 5.748 -8.033 8.643 1.00 1.04 C ATOM 1274 OE1 GLN A 89 6.186 -7.036 9.396 1.00 1.53 O flip ATOM 1275 NE2 GLN A 89 6.316 -9.123 8.597 1.00 1.88 N flip ATOM 0 H GLN A 89 6.833 -5.623 7.745 1.00 0.11 H new ATOM 0 HA GLN A 89 5.364 -5.640 5.245 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.773 -7.311 5.890 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.372 -8.028 5.928 1.00 0.22 H new ATOM 0 HG2 GLN A 89 3.872 -7.043 8.380 1.00 0.68 H new ATOM 0 HG3 GLN A 89 3.890 -8.706 7.828 1.00 0.68 H new ATOM 0 HE21 GLN A 89 5.946 -9.866 8.004 1.00 1.88 H new ATOM 0 HE22 GLN A 89 7.157 -9.284 9.152 1.00 1.88 H new ATOM 1284 N CYS A 90 3.496 -4.358 6.398 1.00 0.20 N ATOM 1285 CA CYS A 90 2.563 -3.410 7.000 1.00 0.21 C ATOM 1286 C CYS A 90 1.154 -3.705 6.512 1.00 0.23 C ATOM 1287 O CYS A 90 0.985 -4.399 5.513 1.00 0.31 O ATOM 1288 CB CYS A 90 2.959 -1.978 6.646 1.00 0.22 C ATOM 1289 SG CYS A 90 3.732 -1.820 5.005 1.00 0.97 S ATOM 0 H CYS A 90 3.291 -4.576 5.423 1.00 0.20 H new ATOM 0 HA CYS A 90 2.595 -3.516 8.084 1.00 0.21 H new ATOM 0 HB2 CYS A 90 2.072 -1.345 6.683 1.00 0.22 H new ATOM 0 HB3 CYS A 90 3.650 -1.604 7.401 1.00 0.22 H new ATOM 1294 N ASN A 91 0.149 -3.194 7.207 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.239 -3.477 6.851 1.00 0.18 C ATOM 1296 C ASN A 91 -2.136 -2.247 7.002 1.00 0.16 C ATOM 1297 O ASN A 91 -2.081 -1.536 8.005 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.783 -4.656 7.673 1.00 0.20 C ATOM 1299 CG ASN A 91 -1.553 -4.537 9.173 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -1.428 -5.674 9.835 1.00 1.87 O flip ATOM 1301 ND2 ASN A 91 -1.481 -3.445 9.734 1.00 1.82 N flip ATOM 0 H ASN A 91 0.264 -2.584 8.017 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.251 -3.754 5.797 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -2.853 -4.749 7.488 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.318 -5.576 7.318 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -1.582 -2.586 9.193 1.00 1.82 H new ATOM 0 HD22 ASN A 91 -1.320 -3.398 10.740 1.00 1.82 H new ATOM 1308 N LEU A 92 -2.946 -1.990 5.976 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.843 -0.840 5.973 1.00 0.13 C ATOM 1310 C LEU A 92 -5.048 -1.081 6.863 1.00 0.14 C ATOM 1311 O LEU A 92 -5.662 -2.146 6.818 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.327 -0.485 4.556 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.608 0.351 4.502 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.375 1.756 5.037 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.135 0.432 3.092 1.00 0.12 C ATOM 0 H LEU A 92 -2.998 -2.565 5.135 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.265 -0.001 6.362 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.534 0.059 4.043 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.490 -1.409 4.002 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.345 -0.145 5.133 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.304 2.324 4.985 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -5.042 1.700 6.073 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.612 2.252 4.437 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.046 1.031 3.078 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.386 0.895 2.450 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.355 -0.571 2.728 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.371 -0.086 7.668 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.615 -0.074 8.411 1.00 0.19 C ATOM 1329 C ASP A 93 -7.698 0.550 7.552 1.00 0.17 C ATOM 1330 O ASP A 93 -7.642 1.738 7.250 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.456 0.708 9.713 1.00 0.26 C ATOM 1332 CG ASP A 93 -5.599 -0.022 10.725 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -6.050 -1.060 11.255 1.00 1.02 O ATOM 1334 OD2 ASP A 93 -4.474 0.445 11.004 1.00 2.13 O ATOM 0 H ASP A 93 -4.782 0.732 7.824 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.893 -1.097 8.664 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -6.011 1.679 9.498 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -7.440 0.896 10.143 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.698 -0.237 7.131 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.775 0.248 6.258 1.00 0.19 C ATOM 1341 C PRO A 94 -10.533 1.411 6.880 1.00 0.23 C ATOM 1342 O PRO A 94 -11.231 2.163 6.197 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.699 -0.965 6.098 1.00 0.24 C ATOM 1344 CG PRO A 94 -10.315 -1.903 7.189 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.860 -1.663 7.456 1.00 0.21 C ATOM 0 HA PRO A 94 -9.388 0.624 5.311 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.746 -0.674 6.181 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -10.573 -1.428 5.119 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.910 -1.723 8.084 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -10.491 -2.937 6.893 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -8.599 -1.873 8.493 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -8.225 -2.294 6.834 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.361 1.568 8.182 1.00 0.26 N ATOM 1354 CA GLU A 95 -10.973 2.653 8.919 1.00 0.34 C ATOM 1355 C GLU A 95 -10.332 3.984 8.549 1.00 0.32 C ATOM 1356 O GLU A 95 -10.806 5.042 8.942 1.00 0.46 O ATOM 1357 CB GLU A 95 -10.837 2.399 10.416 1.00 0.44 C ATOM 1358 CG GLU A 95 -11.355 1.049 10.839 1.00 0.69 C ATOM 1359 CD GLU A 95 -11.010 0.712 12.273 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -9.832 0.399 12.547 1.00 1.42 O ATOM 1361 OE2 GLU A 95 -11.916 0.764 13.130 1.00 1.21 O ATOM 0 H GLU A 95 -9.792 0.945 8.755 1.00 0.26 H new ATOM 0 HA GLU A 95 -12.030 2.701 8.659 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -9.788 2.483 10.698 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -11.376 3.175 10.960 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -12.438 1.025 10.715 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -10.942 0.284 10.181 1.00 0.69 H new ATOM 1368 N THR A 96 -9.262 3.926 7.776 1.00 0.23 N ATOM 1369 CA THR A 96 -8.542 5.119 7.400 1.00 0.24 C ATOM 1370 C THR A 96 -8.897 5.577 5.988 1.00 0.23 C ATOM 1371 O THR A 96 -8.555 6.690 5.583 1.00 0.30 O ATOM 1372 CB THR A 96 -7.034 4.901 7.503 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.592 4.009 6.480 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.667 4.332 8.864 1.00 0.31 C ATOM 0 H THR A 96 -8.876 3.061 7.398 1.00 0.23 H new ATOM 0 HA THR A 96 -8.841 5.901 8.098 1.00 0.24 H new ATOM 0 HB THR A 96 -6.542 5.866 7.378 1.00 0.25 H new ATOM 0 HG1 THR A 96 -7.019 3.135 6.601 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.588 4.184 8.918 1.00 0.31 H new ATOM 0 HG22 THR A 96 -6.977 5.027 9.644 1.00 0.31 H new ATOM 0 HG23 THR A 96 -7.172 3.377 9.007 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.585 4.707 5.245 1.00 0.20 N ATOM 1383 CA VAL A 97 -10.184 5.068 3.947 1.00 0.23 C ATOM 1384 C VAL A 97 -11.035 6.338 4.066 1.00 0.29 C ATOM 1385 O VAL A 97 -11.387 6.967 3.066 1.00 0.64 O ATOM 1386 CB VAL A 97 -11.058 3.917 3.391 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.783 4.333 2.113 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -10.212 2.678 3.143 1.00 0.51 C ATOM 0 H VAL A 97 -9.745 3.738 5.519 1.00 0.20 H new ATOM 0 HA VAL A 97 -9.361 5.252 3.256 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.814 3.682 4.141 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -12.387 3.501 1.750 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -12.428 5.186 2.322 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -11.052 4.609 1.353 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.842 1.879 2.752 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -9.430 2.910 2.420 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.756 2.356 4.079 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.348 6.719 5.299 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.087 7.936 5.569 1.00 0.38 C ATOM 1400 C LYS A 98 -11.226 9.161 5.280 1.00 0.40 C ATOM 1401 O LYS A 98 -10.897 9.928 6.185 1.00 0.47 O ATOM 1402 CB LYS A 98 -12.575 7.986 7.013 1.00 0.55 C ATOM 1403 CG LYS A 98 -13.860 7.218 7.288 1.00 0.71 C ATOM 1404 CD LYS A 98 -13.603 5.793 7.746 1.00 0.53 C ATOM 1405 CE LYS A 98 -13.213 4.889 6.602 1.00 1.34 C ATOM 1406 NZ LYS A 98 -13.751 3.512 6.774 1.00 2.40 N ATOM 0 H LYS A 98 -11.095 6.191 6.134 1.00 0.29 H new ATOM 0 HA LYS A 98 -12.956 7.940 4.911 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -11.790 7.593 7.659 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -12.726 9.028 7.293 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -14.436 7.742 8.051 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.469 7.201 6.384 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -12.811 5.791 8.495 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -14.499 5.401 8.228 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -13.582 5.308 5.666 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -12.126 4.847 6.526 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -13.017 2.819 6.523 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -14.036 3.372 7.764 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -14.576 3.382 6.155 1.00 2.40 H new ATOM 1420 N LEU A 99 -10.845 9.309 4.018 1.00 0.47 N ATOM 1421 CA LEU A 99 -10.117 10.474 3.550 1.00 0.58 C ATOM 1422 C LEU A 99 -8.779 10.627 4.276 1.00 0.73 C ATOM 1423 O LEU A 99 -8.426 11.721 4.721 1.00 1.33 O ATOM 1424 CB LEU A 99 -10.977 11.728 3.712 1.00 0.53 C ATOM 1425 CG LEU A 99 -12.159 11.869 2.736 1.00 0.62 C ATOM 1426 CD1 LEU A 99 -11.700 11.687 1.299 1.00 0.80 C ATOM 1427 CD2 LEU A 99 -13.270 10.879 3.061 1.00 0.76 C ATOM 0 H LEU A 99 -11.034 8.620 3.290 1.00 0.47 H new ATOM 0 HA LEU A 99 -9.895 10.337 2.492 1.00 0.58 H new ATOM 0 HB2 LEU A 99 -11.368 11.747 4.729 1.00 0.53 H new ATOM 0 HB3 LEU A 99 -10.334 12.601 3.601 1.00 0.53 H new ATOM 0 HG LEU A 99 -12.558 12.877 2.851 1.00 0.62 H new ATOM 0 HD11 LEU A 99 -12.553 11.791 0.629 1.00 0.80 H new ATOM 0 HD12 LEU A 99 -10.954 12.444 1.057 1.00 0.80 H new ATOM 0 HD13 LEU A 99 -11.263 10.695 1.179 1.00 0.80 H new ATOM 0 HD21 LEU A 99 -14.089 11.006 2.353 1.00 0.76 H new ATOM 0 HD22 LEU A 99 -12.883 9.862 2.991 1.00 0.76 H new ATOM 0 HD23 LEU A 99 -13.634 11.060 4.072 1.00 0.76 H new ATOM 1439 N GLU A 100 -8.056 9.512 4.399 1.00 1.05 N ATOM 1440 CA GLU A 100 -6.712 9.498 4.982 1.00 1.25 C ATOM 1441 C GLU A 100 -6.710 10.030 6.415 1.00 2.09 C ATOM 1442 O GLU A 100 -6.011 10.993 6.735 1.00 2.87 O ATOM 1443 CB GLU A 100 -5.743 10.302 4.109 1.00 2.15 C ATOM 1444 CG GLU A 100 -5.525 9.695 2.732 1.00 2.70 C ATOM 1445 CD GLU A 100 -4.714 10.586 1.813 1.00 3.59 C ATOM 1446 OE1 GLU A 100 -3.475 10.634 1.969 1.00 4.13 O ATOM 1447 OE2 GLU A 100 -5.309 11.247 0.934 1.00 4.09 O ATOM 0 H GLU A 100 -8.385 8.595 4.098 1.00 1.05 H new ATOM 0 HA GLU A 100 -6.379 8.461 5.018 1.00 1.25 H new ATOM 0 HB2 GLU A 100 -6.125 11.316 3.994 1.00 2.15 H new ATOM 0 HB3 GLU A 100 -4.783 10.379 4.620 1.00 2.15 H new ATOM 0 HG2 GLU A 100 -5.018 8.736 2.840 1.00 2.70 H new ATOM 0 HG3 GLU A 100 -6.493 9.494 2.273 1.00 2.70 H new ATOM 1454 N HIS A 101 -7.490 9.395 7.279 1.00 2.68 N ATOM 1455 CA HIS A 101 -7.549 9.787 8.681 1.00 3.89 C ATOM 1456 C HIS A 101 -7.152 8.628 9.584 1.00 4.59 C ATOM 1457 O HIS A 101 -5.986 8.601 10.030 1.00 5.06 O ATOM 1458 CB HIS A 101 -8.943 10.297 9.053 1.00 4.61 C ATOM 1459 CG HIS A 101 -9.189 11.712 8.636 1.00 5.26 C ATOM 1460 ND1 HIS A 101 -9.901 12.056 7.510 1.00 5.92 N ATOM 1461 CD2 HIS A 101 -8.810 12.878 9.208 1.00 5.78 C ATOM 1462 CE1 HIS A 101 -9.946 13.370 7.404 1.00 6.69 C ATOM 1463 NE2 HIS A 101 -9.293 13.892 8.423 1.00 6.64 N ATOM 0 H HIS A 101 -8.090 8.607 7.035 1.00 2.68 H new ATOM 0 HA HIS A 101 -6.838 10.600 8.828 1.00 3.89 H new ATOM 0 HB2 HIS A 101 -9.692 9.654 8.591 1.00 4.61 H new ATOM 0 HB3 HIS A 101 -9.075 10.216 10.132 1.00 4.61 H new ATOM 0 HD1 HIS A 101 -10.328 11.397 6.859 1.00 5.92 H new ATOM 0 HD2 HIS A 101 -8.234 12.989 10.115 1.00 5.78 H new ATOM 0 HE1 HIS A 101 -10.435 13.924 6.616 1.00 6.69 H new TER 1472 HIS A 101