USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 780 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 100 TYR OH : rot 128:sc= 1.29 USER MOD Set 1.2: A 104 ASN : amide:sc= -0.487 K(o=0.8,f=-1.7!) USER MOD Set 2.1: A 21 SER OG : rot 100:sc= -0.215 USER MOD Set 2.2: A 32 LYS NZ :NH3+ 173:sc= -2.36! (180deg=-2.46!) USER MOD Set 3.1: A 28 SER OG : rot -68:sc= 0.294 USER MOD Set 3.2: A 85 ASN :FLIP amide:sc= -5.19! C(o=-6.9!,f=-4.9!) USER MOD Set 4.1: A 23 SER OG : rot 99:sc= 1.18 USER MOD Set 4.2: A 30 MET CE :methyl -151:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -3.8! C(o=-3.8!,f=-6.2!) USER MOD Single : A 7 SER OG : rot -127:sc= -0.0771 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -134:sc= -1.33 USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= -0.057 (180deg=-0.554) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -107:sc= 0.959 USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -2.94! (180deg=-3.35!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0461 USER MOD Single : A 46 THR OG1 : rot 160:sc= 1.23 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 144:sc= -1.57 (180deg=-5.74!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 140:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= -0.0339 (180deg=-0.555) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN :FLIP amide:sc= 0.0717 F(o=-1.7!,f=0.072) USER MOD Single : A 76 THR OG1 : rot -130:sc= -0.272 USER MOD Single : A 81 THR OG1 : rot 2:sc= 0.324 USER MOD Single : A 86 SER OG : rot 180:sc= -0.568 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 MET CE :methyl -154:sc= -0.219 (180deg=-1.02) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 8.674 2.681 8.695 1.00 0.00 N ATOM 21 CA ALA A 2 7.530 2.077 7.960 1.00 0.00 C ATOM 22 C ALA A 2 7.012 3.069 6.914 1.00 0.00 C ATOM 23 O ALA A 2 6.437 4.086 7.241 1.00 0.00 O ATOM 24 CB ALA A 2 6.412 1.757 8.952 1.00 0.00 C ATOM 0 HA ALA A 2 7.855 1.164 7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.570 1.314 8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.779 1.054 9.700 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.088 2.674 9.444 1.00 0.00 H new ATOM 30 N GLU A 3 7.209 2.781 5.655 1.00 0.00 N ATOM 31 CA GLU A 3 6.722 3.708 4.591 1.00 0.00 C ATOM 32 C GLU A 3 6.497 2.923 3.299 1.00 0.00 C ATOM 33 O GLU A 3 7.042 1.854 3.108 1.00 0.00 O ATOM 34 CB GLU A 3 7.759 4.810 4.356 1.00 0.00 C ATOM 35 CG GLU A 3 9.104 4.187 3.981 1.00 0.00 C ATOM 36 CD GLU A 3 10.128 5.299 3.757 1.00 0.00 C ATOM 37 OE1 GLU A 3 9.728 6.451 3.748 1.00 0.00 O ATOM 38 OE2 GLU A 3 11.295 4.981 3.601 1.00 0.00 O ATOM 0 H GLU A 3 7.686 1.945 5.317 1.00 0.00 H new ATOM 0 HA GLU A 3 5.783 4.163 4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 3 7.422 5.475 3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 3 7.867 5.417 5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.442 3.519 4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.000 3.585 3.079 1.00 0.00 H new ATOM 45 N ILE A 4 5.693 3.451 2.411 1.00 0.00 N ATOM 46 CA ILE A 4 5.412 2.754 1.114 1.00 0.00 C ATOM 47 C ILE A 4 6.064 3.532 -0.025 1.00 0.00 C ATOM 48 O ILE A 4 5.907 4.733 -0.125 1.00 0.00 O ATOM 49 CB ILE A 4 3.901 2.717 0.887 1.00 0.00 C ATOM 50 CG1 ILE A 4 3.237 1.944 2.027 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.602 2.024 -0.444 1.00 0.00 C ATOM 52 CD1 ILE A 4 1.718 2.082 1.929 1.00 0.00 C ATOM 0 H ILE A 4 5.214 4.344 2.528 1.00 0.00 H new ATOM 0 HA ILE A 4 5.811 1.740 1.146 1.00 0.00 H new ATOM 0 HB ILE A 4 3.510 3.734 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.520 0.892 1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.585 2.324 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.524 1.997 -0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.078 2.574 -1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.990 1.006 -0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.249 1.530 2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.443 3.134 1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.377 1.681 0.975 1.00 0.00 H new ATOM 64 N GLN A 5 6.794 2.867 -0.889 1.00 0.00 N ATOM 65 CA GLN A 5 7.450 3.586 -2.030 1.00 0.00 C ATOM 66 C GLN A 5 7.296 2.764 -3.311 1.00 0.00 C ATOM 67 O GLN A 5 7.699 1.621 -3.382 1.00 0.00 O ATOM 68 CB GLN A 5 8.934 3.784 -1.713 1.00 0.00 C ATOM 69 CG GLN A 5 9.069 4.784 -0.562 1.00 0.00 C ATOM 70 CD GLN A 5 10.548 4.999 -0.231 1.00 0.00 C ATOM 71 OE1 GLN A 5 11.353 5.218 -1.113 1.00 0.00 O ATOM 72 NE2 GLN A 5 10.938 4.952 1.013 1.00 0.00 N ATOM 0 H GLN A 5 6.964 1.862 -0.855 1.00 0.00 H new ATOM 0 HA GLN A 5 6.977 4.558 -2.173 1.00 0.00 H new ATOM 0 HB2 GLN A 5 9.391 2.833 -1.441 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.461 4.150 -2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.607 5.732 -0.836 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.540 4.414 0.317 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.261 4.768 1.753 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.920 5.099 1.245 1.00 0.00 H new ATOM 81 N PHE A 6 6.712 3.343 -4.326 1.00 0.00 N ATOM 82 CA PHE A 6 6.526 2.608 -5.607 1.00 0.00 C ATOM 83 C PHE A 6 7.888 2.351 -6.255 1.00 0.00 C ATOM 84 O PHE A 6 8.122 1.306 -6.828 1.00 0.00 O ATOM 85 CB PHE A 6 5.688 3.460 -6.561 1.00 0.00 C ATOM 86 CG PHE A 6 4.277 3.606 -6.032 1.00 0.00 C ATOM 87 CD1 PHE A 6 3.357 2.563 -6.194 1.00 0.00 C ATOM 88 CD2 PHE A 6 3.887 4.791 -5.397 1.00 0.00 C ATOM 89 CE1 PHE A 6 2.048 2.704 -5.719 1.00 0.00 C ATOM 90 CE2 PHE A 6 2.578 4.932 -4.920 1.00 0.00 C ATOM 91 CZ PHE A 6 1.659 3.889 -5.082 1.00 0.00 C ATOM 0 H PHE A 6 6.355 4.298 -4.321 1.00 0.00 H new ATOM 0 HA PHE A 6 6.025 1.661 -5.407 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.144 4.443 -6.677 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.668 2.999 -7.549 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.657 1.650 -6.686 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.596 5.597 -5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.338 1.899 -5.844 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.278 5.845 -4.427 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.649 3.998 -4.715 1.00 0.00 H new ATOM 101 N SER A 7 8.782 3.312 -6.184 1.00 0.00 N ATOM 102 CA SER A 7 10.136 3.156 -6.813 1.00 0.00 C ATOM 103 C SER A 7 11.233 3.446 -5.786 1.00 0.00 C ATOM 104 O SER A 7 11.040 4.175 -4.835 1.00 0.00 O ATOM 105 CB SER A 7 10.262 4.130 -7.983 1.00 0.00 C ATOM 106 OG SER A 7 9.351 3.752 -9.006 1.00 0.00 O ATOM 0 H SER A 7 8.630 4.204 -5.714 1.00 0.00 H new ATOM 0 HA SER A 7 10.249 2.132 -7.169 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.052 5.146 -7.650 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.282 4.125 -8.368 1.00 0.00 H new ATOM 0 HG SER A 7 9.831 3.663 -9.856 1.00 0.00 H new ATOM 112 N LYS A 8 12.384 2.864 -5.976 1.00 0.00 N ATOM 113 CA LYS A 8 13.514 3.073 -5.023 1.00 0.00 C ATOM 114 C LYS A 8 14.079 4.493 -5.159 1.00 0.00 C ATOM 115 O LYS A 8 14.255 5.004 -6.246 1.00 0.00 O ATOM 116 CB LYS A 8 14.614 2.049 -5.311 1.00 0.00 C ATOM 117 CG LYS A 8 14.833 1.938 -6.823 1.00 0.00 C ATOM 118 CD LYS A 8 16.101 1.126 -7.101 1.00 0.00 C ATOM 119 CE LYS A 8 15.897 -0.328 -6.662 1.00 0.00 C ATOM 120 NZ LYS A 8 16.944 -1.185 -7.285 1.00 0.00 N ATOM 0 H LYS A 8 12.594 2.245 -6.759 1.00 0.00 H new ATOM 0 HA LYS A 8 13.147 2.944 -4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 8 15.540 2.348 -4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.336 1.078 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.973 1.459 -7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.922 2.932 -7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.342 1.164 -8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.946 1.561 -6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.950 -0.402 -5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.906 -0.673 -6.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.807 -2.172 -6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.873 -1.122 -8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.884 -0.860 -6.982 1.00 0.00 H new ATOM 134 N GLY A 9 14.368 5.131 -4.052 1.00 0.00 N ATOM 135 CA GLY A 9 14.924 6.517 -4.096 1.00 0.00 C ATOM 136 C GLY A 9 13.781 7.527 -3.991 1.00 0.00 C ATOM 137 O GLY A 9 13.996 8.720 -3.954 1.00 0.00 O ATOM 0 H GLY A 9 14.242 4.748 -3.115 1.00 0.00 H new ATOM 0 HA2 GLY A 9 15.630 6.664 -3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 9 15.475 6.670 -5.024 1.00 0.00 H new ATOM 141 N VAL A 10 12.565 7.056 -3.939 1.00 0.00 N ATOM 142 CA VAL A 10 11.406 7.986 -3.829 1.00 0.00 C ATOM 143 C VAL A 10 11.382 8.618 -2.433 1.00 0.00 C ATOM 144 O VAL A 10 11.289 9.819 -2.282 1.00 0.00 O ATOM 145 CB VAL A 10 10.120 7.189 -4.046 1.00 0.00 C ATOM 146 CG1 VAL A 10 8.903 8.063 -3.738 1.00 0.00 C ATOM 147 CG2 VAL A 10 10.051 6.714 -5.499 1.00 0.00 C ATOM 0 H VAL A 10 12.324 6.065 -3.968 1.00 0.00 H new ATOM 0 HA VAL A 10 11.491 8.775 -4.577 1.00 0.00 H new ATOM 0 HB VAL A 10 10.119 6.327 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.992 7.486 -3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.947 8.396 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.902 8.931 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.134 6.146 -5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.059 7.577 -6.165 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.911 6.080 -5.716 1.00 0.00 H new ATOM 157 N ALA A 11 11.469 7.807 -1.411 1.00 0.00 N ATOM 158 CA ALA A 11 11.449 8.333 -0.013 1.00 0.00 C ATOM 159 C ALA A 11 10.153 9.109 0.253 1.00 0.00 C ATOM 160 O ALA A 11 9.632 9.791 -0.606 1.00 0.00 O ATOM 161 CB ALA A 11 12.648 9.256 0.208 1.00 0.00 C ATOM 0 H ALA A 11 11.554 6.793 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 11 11.502 7.489 0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.630 9.638 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.571 8.699 0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.599 10.090 -0.492 1.00 0.00 H new ATOM 167 N GLU A 12 9.637 9.011 1.449 1.00 0.00 N ATOM 168 CA GLU A 12 8.378 9.736 1.802 1.00 0.00 C ATOM 169 C GLU A 12 7.249 9.310 0.859 1.00 0.00 C ATOM 170 O GLU A 12 6.512 8.398 1.157 1.00 0.00 O ATOM 171 CB GLU A 12 8.605 11.253 1.711 1.00 0.00 C ATOM 172 CG GLU A 12 7.414 11.999 2.328 1.00 0.00 C ATOM 173 CD GLU A 12 6.217 11.938 1.377 1.00 0.00 C ATOM 174 OE1 GLU A 12 6.398 12.232 0.207 1.00 0.00 O ATOM 175 OE2 GLU A 12 5.137 11.606 1.838 1.00 0.00 O ATOM 0 H GLU A 12 10.037 8.455 2.205 1.00 0.00 H new ATOM 0 HA GLU A 12 8.095 9.485 2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.524 11.524 2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.730 11.549 0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.151 11.553 3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.684 13.037 2.522 1.00 0.00 H new ATOM 182 N THR A 13 7.103 9.974 -0.263 1.00 0.00 N ATOM 183 CA THR A 13 6.020 9.634 -1.233 1.00 0.00 C ATOM 184 C THR A 13 4.722 10.291 -0.771 1.00 0.00 C ATOM 185 O THR A 13 4.328 11.314 -1.292 1.00 0.00 O ATOM 186 CB THR A 13 5.842 8.105 -1.344 1.00 0.00 C ATOM 187 OG1 THR A 13 7.108 7.477 -1.212 1.00 0.00 O ATOM 188 CG2 THR A 13 5.235 7.744 -2.707 1.00 0.00 C ATOM 0 H THR A 13 7.700 10.750 -0.550 1.00 0.00 H new ATOM 0 HA THR A 13 6.290 10.007 -2.221 1.00 0.00 H new ATOM 0 HB THR A 13 5.173 7.763 -0.554 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.209 6.794 -1.908 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.113 6.663 -2.776 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.263 8.226 -2.812 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.897 8.086 -3.502 1.00 0.00 H new ATOM 196 N VAL A 14 4.051 9.728 0.196 1.00 0.00 N ATOM 197 CA VAL A 14 2.783 10.351 0.667 1.00 0.00 C ATOM 198 C VAL A 14 2.284 9.613 1.915 1.00 0.00 C ATOM 199 O VAL A 14 2.888 8.661 2.368 1.00 0.00 O ATOM 200 CB VAL A 14 1.730 10.277 -0.473 1.00 0.00 C ATOM 201 CG1 VAL A 14 0.935 8.963 -0.404 1.00 0.00 C ATOM 202 CG2 VAL A 14 0.760 11.459 -0.372 1.00 0.00 C ATOM 0 H VAL A 14 4.323 8.871 0.677 1.00 0.00 H new ATOM 0 HA VAL A 14 2.950 11.396 0.927 1.00 0.00 H new ATOM 0 HB VAL A 14 2.262 10.317 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.205 8.937 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.618 8.119 -0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.418 8.900 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.026 11.397 -1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.248 11.428 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.315 12.393 -0.458 1.00 0.00 H new ATOM 212 N VAL A 15 1.172 10.040 2.459 1.00 0.00 N ATOM 213 CA VAL A 15 0.592 9.372 3.665 1.00 0.00 C ATOM 214 C VAL A 15 -0.763 8.744 3.287 1.00 0.00 C ATOM 215 O VAL A 15 -1.796 9.364 3.439 1.00 0.00 O ATOM 216 CB VAL A 15 0.378 10.416 4.753 1.00 0.00 C ATOM 217 CG1 VAL A 15 -0.254 9.745 5.970 1.00 0.00 C ATOM 218 CG2 VAL A 15 1.732 11.016 5.139 1.00 0.00 C ATOM 0 H VAL A 15 0.634 10.835 2.114 1.00 0.00 H new ATOM 0 HA VAL A 15 1.268 8.597 4.026 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.281 11.206 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.410 10.486 6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.212 9.307 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.408 8.962 6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.589 11.765 5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.387 10.228 5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.185 11.483 4.265 1.00 0.00 H new ATOM 228 N PRO A 16 -0.761 7.530 2.778 1.00 0.00 N ATOM 229 CA PRO A 16 -2.009 6.822 2.356 1.00 0.00 C ATOM 230 C PRO A 16 -2.790 6.235 3.538 1.00 0.00 C ATOM 231 O PRO A 16 -2.237 5.935 4.574 1.00 0.00 O ATOM 232 CB PRO A 16 -1.491 5.724 1.419 1.00 0.00 C ATOM 233 CG PRO A 16 -0.119 5.401 1.921 1.00 0.00 C ATOM 234 CD PRO A 16 0.431 6.686 2.557 1.00 0.00 C ATOM 0 HA PRO A 16 -2.722 7.495 1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.137 4.847 1.444 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.462 6.069 0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.154 4.592 2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.523 5.067 1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.947 6.476 3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.149 7.178 1.901 1.00 0.00 H new ATOM 242 N GLU A 17 -4.078 6.069 3.385 1.00 0.00 N ATOM 243 CA GLU A 17 -4.892 5.504 4.497 1.00 0.00 C ATOM 244 C GLU A 17 -4.757 3.983 4.505 1.00 0.00 C ATOM 245 O GLU A 17 -4.466 3.375 3.492 1.00 0.00 O ATOM 246 CB GLU A 17 -6.360 5.882 4.291 1.00 0.00 C ATOM 247 CG GLU A 17 -6.519 7.399 4.409 1.00 0.00 C ATOM 248 CD GLU A 17 -6.193 7.837 5.839 1.00 0.00 C ATOM 249 OE1 GLU A 17 -6.236 6.993 6.718 1.00 0.00 O ATOM 250 OE2 GLU A 17 -5.904 9.006 6.029 1.00 0.00 O ATOM 0 H GLU A 17 -4.599 6.300 2.539 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.540 5.905 5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.699 5.546 3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.983 5.382 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.856 7.901 3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.537 7.690 4.152 1.00 0.00 H new ATOM 257 N VAL A 18 -4.970 3.364 5.640 1.00 0.00 N ATOM 258 CA VAL A 18 -4.853 1.876 5.732 1.00 0.00 C ATOM 259 C VAL A 18 -6.240 1.276 5.957 1.00 0.00 C ATOM 260 O VAL A 18 -6.962 1.678 6.847 1.00 0.00 O ATOM 261 CB VAL A 18 -3.953 1.528 6.921 1.00 0.00 C ATOM 262 CG1 VAL A 18 -3.991 0.018 7.183 1.00 0.00 C ATOM 263 CG2 VAL A 18 -2.521 1.958 6.611 1.00 0.00 C ATOM 0 H VAL A 18 -5.222 3.829 6.512 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.428 1.476 4.812 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.310 2.051 7.808 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.348 -0.221 8.030 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.013 -0.287 7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.639 -0.514 6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.877 1.712 7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.169 1.436 5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.494 3.033 6.435 1.00 0.00 H new ATOM 273 N ARG A 19 -6.611 0.311 5.157 1.00 0.00 N ATOM 274 CA ARG A 19 -7.948 -0.341 5.312 1.00 0.00 C ATOM 275 C ARG A 19 -7.769 -1.853 5.216 1.00 0.00 C ATOM 276 O ARG A 19 -7.099 -2.354 4.337 1.00 0.00 O ATOM 277 CB ARG A 19 -8.885 0.140 4.204 1.00 0.00 C ATOM 278 CG ARG A 19 -10.267 -0.488 4.396 1.00 0.00 C ATOM 279 CD ARG A 19 -11.203 -0.019 3.284 1.00 0.00 C ATOM 280 NE ARG A 19 -12.578 -0.527 3.554 1.00 0.00 N ATOM 281 CZ ARG A 19 -12.924 -1.726 3.163 1.00 0.00 C ATOM 282 NH1 ARG A 19 -12.058 -2.490 2.553 1.00 0.00 N ATOM 283 NH2 ARG A 19 -14.133 -2.160 3.387 1.00 0.00 N ATOM 0 H ARG A 19 -6.041 -0.057 4.396 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.380 -0.080 6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.962 1.227 4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.482 -0.133 3.229 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.188 -1.575 4.384 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.673 -0.208 5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.208 1.070 3.232 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.851 -0.383 2.319 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.251 0.062 4.045 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.111 -2.152 2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.328 -3.425 2.248 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.808 -1.564 3.867 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.404 -3.095 3.082 1.00 0.00 H new ATOM 297 N LEU A 20 -8.355 -2.586 6.121 1.00 0.00 N ATOM 298 CA LEU A 20 -8.217 -4.071 6.096 1.00 0.00 C ATOM 299 C LEU A 20 -9.437 -4.682 5.408 1.00 0.00 C ATOM 300 O LEU A 20 -10.560 -4.297 5.662 1.00 0.00 O ATOM 301 CB LEU A 20 -8.123 -4.580 7.541 1.00 0.00 C ATOM 302 CG LEU A 20 -6.686 -4.418 8.068 1.00 0.00 C ATOM 303 CD1 LEU A 20 -5.724 -5.392 7.351 1.00 0.00 C ATOM 304 CD2 LEU A 20 -6.225 -2.970 7.847 1.00 0.00 C ATOM 0 H LEU A 20 -8.927 -2.219 6.882 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.320 -4.357 5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.815 -4.027 8.175 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.419 -5.628 7.585 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.674 -4.650 9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.715 -5.259 7.740 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.048 -6.418 7.526 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.730 -5.187 6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.207 -2.851 8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.251 -2.738 6.782 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.889 -2.291 8.383 1.00 0.00 H new ATOM 316 N SER A 21 -9.218 -5.635 4.535 1.00 0.00 N ATOM 317 CA SER A 21 -10.351 -6.291 3.813 1.00 0.00 C ATOM 318 C SER A 21 -10.286 -7.797 4.051 1.00 0.00 C ATOM 319 O SER A 21 -9.225 -8.355 4.238 1.00 0.00 O ATOM 320 CB SER A 21 -10.217 -6.008 2.318 1.00 0.00 C ATOM 321 OG SER A 21 -10.519 -4.641 2.072 1.00 0.00 O ATOM 0 H SER A 21 -8.293 -5.989 4.290 1.00 0.00 H new ATOM 0 HA SER A 21 -11.302 -5.902 4.177 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.205 -6.235 1.982 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.893 -6.650 1.752 1.00 0.00 H new ATOM 0 HG SER A 21 -9.686 -4.133 1.980 1.00 0.00 H new ATOM 327 N LYS A 22 -11.418 -8.458 4.048 1.00 0.00 N ATOM 328 CA LYS A 22 -11.442 -9.937 4.278 1.00 0.00 C ATOM 329 C LYS A 22 -12.273 -10.617 3.191 1.00 0.00 C ATOM 330 O LYS A 22 -13.275 -10.098 2.741 1.00 0.00 O ATOM 331 CB LYS A 22 -12.057 -10.220 5.648 1.00 0.00 C ATOM 332 CG LYS A 22 -11.094 -9.752 6.740 1.00 0.00 C ATOM 333 CD LYS A 22 -11.712 -10.018 8.113 1.00 0.00 C ATOM 334 CE LYS A 22 -10.765 -9.517 9.204 1.00 0.00 C ATOM 335 NZ LYS A 22 -9.474 -10.259 9.118 1.00 0.00 N ATOM 0 H LYS A 22 -12.333 -8.033 3.895 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.425 -10.328 4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.012 -9.704 5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.258 -11.286 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.143 -10.276 6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.884 -8.689 6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.675 -9.515 8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.898 -11.085 8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.591 -8.447 9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.215 -9.661 10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.938 -10.127 9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.664 -11.272 8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.918 -9.897 8.317 1.00 0.00 H new ATOM 349 N SER A 23 -11.855 -11.775 2.764 1.00 0.00 N ATOM 350 CA SER A 23 -12.599 -12.505 1.701 1.00 0.00 C ATOM 351 C SER A 23 -13.865 -13.140 2.286 1.00 0.00 C ATOM 352 O SER A 23 -14.183 -12.966 3.444 1.00 0.00 O ATOM 353 CB SER A 23 -11.699 -13.595 1.125 1.00 0.00 C ATOM 354 OG SER A 23 -10.712 -12.994 0.296 1.00 0.00 O ATOM 0 H SER A 23 -11.022 -12.251 3.109 1.00 0.00 H new ATOM 0 HA SER A 23 -12.887 -11.807 0.915 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.223 -14.155 1.931 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.291 -14.306 0.549 1.00 0.00 H new ATOM 0 HG SER A 23 -9.873 -12.910 0.795 1.00 0.00 H new ATOM 420 N SER A 28 -9.665 -15.980 2.165 1.00 0.00 N ATOM 421 CA SER A 28 -8.294 -15.434 1.917 1.00 0.00 C ATOM 422 C SER A 28 -8.150 -14.054 2.561 1.00 0.00 C ATOM 423 O SER A 28 -8.911 -13.147 2.293 1.00 0.00 O ATOM 424 CB SER A 28 -8.069 -15.332 0.407 1.00 0.00 C ATOM 425 OG SER A 28 -7.812 -16.632 -0.112 1.00 0.00 O ATOM 0 HA SER A 28 -7.551 -16.099 2.357 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.946 -14.900 -0.076 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.230 -14.669 0.195 1.00 0.00 H new ATOM 0 HG SER A 28 -6.943 -16.948 0.213 1.00 0.00 H new ATOM 431 N GLY A 29 -7.176 -13.897 3.412 1.00 0.00 N ATOM 432 CA GLY A 29 -6.969 -12.587 4.089 1.00 0.00 C ATOM 433 C GLY A 29 -6.255 -11.614 3.148 1.00 0.00 C ATOM 434 O GLY A 29 -5.412 -12.001 2.364 1.00 0.00 O ATOM 0 H GLY A 29 -6.510 -14.625 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.929 -12.171 4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.380 -12.727 4.995 1.00 0.00 H new ATOM 438 N MET A 30 -6.574 -10.350 3.224 1.00 0.00 N ATOM 439 CA MET A 30 -5.899 -9.358 2.340 1.00 0.00 C ATOM 440 C MET A 30 -6.082 -7.956 2.927 1.00 0.00 C ATOM 441 O MET A 30 -6.880 -7.746 3.819 1.00 0.00 O ATOM 442 CB MET A 30 -6.507 -9.414 0.932 1.00 0.00 C ATOM 443 CG MET A 30 -8.011 -9.666 1.028 1.00 0.00 C ATOM 444 SD MET A 30 -8.731 -9.590 -0.632 1.00 0.00 S ATOM 445 CE MET A 30 -10.457 -9.845 -0.153 1.00 0.00 C ATOM 0 H MET A 30 -7.272 -9.962 3.859 1.00 0.00 H new ATOM 0 HA MET A 30 -4.836 -9.592 2.275 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.319 -8.478 0.407 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.033 -10.206 0.352 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.201 -10.641 1.476 1.00 0.00 H new ATOM 0 HG3 MET A 30 -8.477 -8.922 1.674 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.992 -10.334 -0.967 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.499 -10.473 0.737 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.922 -8.882 0.060 1.00 0.00 H new ATOM 455 N ALA A 31 -5.351 -6.994 2.428 1.00 0.00 N ATOM 456 CA ALA A 31 -5.477 -5.598 2.944 1.00 0.00 C ATOM 457 C ALA A 31 -5.425 -4.631 1.764 1.00 0.00 C ATOM 458 O ALA A 31 -4.708 -4.853 0.809 1.00 0.00 O ATOM 459 CB ALA A 31 -4.319 -5.301 3.898 1.00 0.00 C ATOM 0 H ALA A 31 -4.668 -7.116 1.681 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.421 -5.483 3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.410 -4.282 4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.347 -6.001 4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.373 -5.408 3.367 1.00 0.00 H new ATOM 465 N LYS A 32 -6.181 -3.562 1.818 1.00 0.00 N ATOM 466 CA LYS A 32 -6.190 -2.572 0.695 1.00 0.00 C ATOM 467 C LYS A 32 -5.558 -1.261 1.155 1.00 0.00 C ATOM 468 O LYS A 32 -5.682 -0.870 2.298 1.00 0.00 O ATOM 469 CB LYS A 32 -7.635 -2.314 0.272 1.00 0.00 C ATOM 470 CG LYS A 32 -8.203 -3.578 -0.369 1.00 0.00 C ATOM 471 CD LYS A 32 -9.641 -3.323 -0.820 1.00 0.00 C ATOM 472 CE LYS A 32 -10.183 -4.573 -1.516 1.00 0.00 C ATOM 473 NZ LYS A 32 -10.237 -5.699 -0.543 1.00 0.00 N ATOM 0 H LYS A 32 -6.797 -3.331 2.597 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.620 -2.969 -0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.234 -2.029 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.678 -1.484 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.591 -3.872 -1.221 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.175 -4.403 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.264 -3.072 0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.675 -2.471 -1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.177 -4.377 -1.917 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.546 -4.838 -2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.714 -6.513 -0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.270 -5.969 -0.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.764 -5.402 0.303 1.00 0.00 H new ATOM 487 N PHE A 33 -4.883 -0.579 0.263 1.00 0.00 N ATOM 488 CA PHE A 33 -4.234 0.720 0.615 1.00 0.00 C ATOM 489 C PHE A 33 -4.786 1.810 -0.298 1.00 0.00 C ATOM 490 O PHE A 33 -4.855 1.643 -1.500 1.00 0.00 O ATOM 491 CB PHE A 33 -2.726 0.592 0.402 1.00 0.00 C ATOM 492 CG PHE A 33 -2.141 -0.238 1.516 1.00 0.00 C ATOM 493 CD1 PHE A 33 -2.086 -1.630 1.397 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.660 0.385 2.673 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.549 -2.401 2.434 1.00 0.00 C ATOM 496 CE2 PHE A 33 -1.124 -0.384 3.711 1.00 0.00 C ATOM 497 CZ PHE A 33 -1.067 -1.778 3.591 1.00 0.00 C ATOM 0 H PHE A 33 -4.753 -0.872 -0.705 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.437 0.975 1.655 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.520 0.127 -0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.263 1.579 0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.458 -2.110 0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.703 1.460 2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.506 -3.476 2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.754 0.097 4.605 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.651 -2.372 4.391 1.00 0.00 H new ATOM 507 N TYR A 34 -5.186 2.923 0.263 1.00 0.00 N ATOM 508 CA TYR A 34 -5.744 4.035 -0.564 1.00 0.00 C ATOM 509 C TYR A 34 -4.705 5.151 -0.672 1.00 0.00 C ATOM 510 O TYR A 34 -4.171 5.606 0.320 1.00 0.00 O ATOM 511 CB TYR A 34 -7.002 4.575 0.113 1.00 0.00 C ATOM 512 CG TYR A 34 -7.723 5.500 -0.836 1.00 0.00 C ATOM 513 CD1 TYR A 34 -8.541 4.969 -1.841 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.570 6.884 -0.712 1.00 0.00 C ATOM 515 CE1 TYR A 34 -9.208 5.828 -2.722 1.00 0.00 C ATOM 516 CE2 TYR A 34 -8.238 7.742 -1.594 1.00 0.00 C ATOM 517 CZ TYR A 34 -9.057 7.214 -2.600 1.00 0.00 C ATOM 518 OH TYR A 34 -9.713 8.059 -3.469 1.00 0.00 O ATOM 0 H TYR A 34 -5.150 3.110 1.265 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.991 3.670 -1.561 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.655 3.751 0.402 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.737 5.107 1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.657 3.899 -1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.937 7.291 0.063 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.840 5.421 -3.497 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.122 8.811 -1.499 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.500 8.989 -3.244 1.00 0.00 H new ATOM 528 N PHE A 35 -4.409 5.589 -1.870 1.00 0.00 N ATOM 529 CA PHE A 35 -3.394 6.674 -2.062 1.00 0.00 C ATOM 530 C PHE A 35 -4.088 7.934 -2.568 1.00 0.00 C ATOM 531 O PHE A 35 -4.626 7.959 -3.657 1.00 0.00 O ATOM 532 CB PHE A 35 -2.372 6.209 -3.092 1.00 0.00 C ATOM 533 CG PHE A 35 -1.626 5.014 -2.545 1.00 0.00 C ATOM 534 CD1 PHE A 35 -2.172 3.731 -2.672 1.00 0.00 C ATOM 535 CD2 PHE A 35 -0.392 5.189 -1.907 1.00 0.00 C ATOM 536 CE1 PHE A 35 -1.485 2.624 -2.163 1.00 0.00 C ATOM 537 CE2 PHE A 35 0.294 4.080 -1.399 1.00 0.00 C ATOM 538 CZ PHE A 35 -0.253 2.799 -1.527 1.00 0.00 C ATOM 0 H PHE A 35 -4.830 5.240 -2.731 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.898 6.892 -1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.871 5.946 -4.025 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.675 7.015 -3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.124 3.596 -3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.030 6.178 -1.807 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.906 1.635 -2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.247 4.213 -0.908 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.277 1.944 -1.134 1.00 0.00 H new ATOM 548 N LEU A 36 -4.084 8.984 -1.787 1.00 0.00 N ATOM 549 CA LEU A 36 -4.750 10.250 -2.218 1.00 0.00 C ATOM 550 C LEU A 36 -3.725 11.194 -2.851 1.00 0.00 C ATOM 551 O LEU A 36 -2.751 11.573 -2.231 1.00 0.00 O ATOM 552 CB LEU A 36 -5.394 10.919 -0.995 1.00 0.00 C ATOM 553 CG LEU A 36 -5.977 12.291 -1.374 1.00 0.00 C ATOM 554 CD1 LEU A 36 -6.968 12.144 -2.539 1.00 0.00 C ATOM 555 CD2 LEU A 36 -6.698 12.883 -0.156 1.00 0.00 C ATOM 0 H LEU A 36 -3.647 9.019 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.518 10.024 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.182 10.280 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.652 11.038 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.168 12.953 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.373 13.122 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.454 11.724 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.781 11.481 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.114 13.856 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.503 12.215 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.990 12.999 0.665 1.00 0.00 H new ATOM 567 N GLU A 37 -3.957 11.588 -4.076 1.00 0.00 N ATOM 568 CA GLU A 37 -3.028 12.531 -4.775 1.00 0.00 C ATOM 569 C GLU A 37 -1.563 12.203 -4.451 1.00 0.00 C ATOM 570 O GLU A 37 -0.828 13.042 -3.968 1.00 0.00 O ATOM 571 CB GLU A 37 -3.347 13.960 -4.335 1.00 0.00 C ATOM 572 CG GLU A 37 -4.652 14.418 -4.996 1.00 0.00 C ATOM 573 CD GLU A 37 -4.397 14.713 -6.474 1.00 0.00 C ATOM 574 OE1 GLU A 37 -3.551 15.546 -6.755 1.00 0.00 O ATOM 575 OE2 GLU A 37 -5.051 14.101 -7.302 1.00 0.00 O ATOM 0 H GLU A 37 -4.761 11.294 -4.631 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.167 12.429 -5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.441 14.006 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.532 14.628 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.414 13.646 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.032 15.309 -4.496 1.00 0.00 H new ATOM 582 N PRO A 38 -1.141 10.996 -4.726 1.00 0.00 N ATOM 583 CA PRO A 38 0.267 10.561 -4.472 1.00 0.00 C ATOM 584 C PRO A 38 1.286 11.347 -5.320 1.00 0.00 C ATOM 585 O PRO A 38 1.020 11.731 -6.440 1.00 0.00 O ATOM 586 CB PRO A 38 0.270 9.059 -4.828 1.00 0.00 C ATOM 587 CG PRO A 38 -0.942 8.839 -5.686 1.00 0.00 C ATOM 588 CD PRO A 38 -1.960 9.915 -5.297 1.00 0.00 C ATOM 0 HA PRO A 38 0.569 10.748 -3.441 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.181 8.785 -5.361 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.229 8.444 -3.929 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.686 8.913 -6.743 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.353 7.842 -5.526 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.526 10.259 -6.162 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.682 9.537 -4.573 1.00 0.00 H new ATOM 596 N THR A 39 2.449 11.591 -4.775 1.00 0.00 N ATOM 597 CA THR A 39 3.497 12.352 -5.514 1.00 0.00 C ATOM 598 C THR A 39 4.039 11.516 -6.679 1.00 0.00 C ATOM 599 O THR A 39 4.560 12.046 -7.641 1.00 0.00 O ATOM 600 CB THR A 39 4.644 12.671 -4.555 1.00 0.00 C ATOM 601 OG1 THR A 39 5.142 11.461 -4.003 1.00 0.00 O ATOM 602 CG2 THR A 39 4.133 13.573 -3.429 1.00 0.00 C ATOM 0 H THR A 39 2.719 11.291 -3.838 1.00 0.00 H new ATOM 0 HA THR A 39 3.062 13.271 -5.908 1.00 0.00 H new ATOM 0 HB THR A 39 5.441 13.183 -5.095 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.857 11.386 -3.068 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.951 13.800 -2.745 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.746 14.500 -3.853 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.338 13.062 -2.886 1.00 0.00 H new ATOM 610 N ILE A 40 3.940 10.217 -6.599 1.00 0.00 N ATOM 611 CA ILE A 40 4.478 9.362 -7.698 1.00 0.00 C ATOM 612 C ILE A 40 3.781 9.713 -9.021 1.00 0.00 C ATOM 613 O ILE A 40 4.052 9.126 -10.048 1.00 0.00 O ATOM 614 CB ILE A 40 4.244 7.878 -7.339 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.244 6.978 -8.101 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.807 7.464 -7.702 1.00 0.00 C ATOM 617 CD1 ILE A 40 6.599 6.937 -7.374 1.00 0.00 C ATOM 0 H ILE A 40 3.512 9.711 -5.824 1.00 0.00 H new ATOM 0 HA ILE A 40 5.547 9.539 -7.817 1.00 0.00 H new ATOM 0 HB ILE A 40 4.395 7.756 -6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.841 5.969 -8.187 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.380 7.354 -9.115 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.654 6.416 -7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.100 8.081 -7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.648 7.602 -8.772 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.289 6.299 -7.926 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.009 7.945 -7.311 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.461 6.538 -6.369 1.00 0.00 H new ATOM 629 N LEU A 41 2.888 10.665 -9.005 1.00 0.00 N ATOM 630 CA LEU A 41 2.182 11.049 -10.260 1.00 0.00 C ATOM 631 C LEU A 41 2.958 12.172 -10.951 1.00 0.00 C ATOM 632 O LEU A 41 2.646 12.569 -12.054 1.00 0.00 O ATOM 633 CB LEU A 41 0.778 11.540 -9.911 1.00 0.00 C ATOM 634 CG LEU A 41 0.012 10.432 -9.176 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.370 10.957 -8.776 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.139 9.193 -10.081 1.00 0.00 C ATOM 0 H LEU A 41 2.617 11.194 -8.176 1.00 0.00 H new ATOM 0 HA LEU A 41 2.115 10.189 -10.927 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.838 12.431 -9.285 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.245 11.824 -10.819 1.00 0.00 H new ATOM 0 HG LEU A 41 0.567 10.142 -8.284 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.919 10.174 -8.253 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.256 11.820 -8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.920 11.251 -9.670 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.684 8.416 -9.546 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.687 9.466 -10.983 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.848 8.820 -10.355 1.00 0.00 H new ATOM 648 N ALA A 42 3.972 12.688 -10.303 1.00 0.00 N ATOM 649 CA ALA A 42 4.779 13.788 -10.909 1.00 0.00 C ATOM 650 C ALA A 42 6.061 13.209 -11.507 1.00 0.00 C ATOM 651 O ALA A 42 6.627 13.758 -12.431 1.00 0.00 O ATOM 652 CB ALA A 42 5.141 14.798 -9.819 1.00 0.00 C ATOM 0 H ALA A 42 4.276 12.392 -9.375 1.00 0.00 H new ATOM 0 HA ALA A 42 4.202 14.279 -11.693 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.731 15.606 -10.253 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.229 15.208 -9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.722 14.302 -9.041 1.00 0.00 H new ATOM 658 N LYS A 43 6.525 12.103 -10.988 1.00 0.00 N ATOM 659 CA LYS A 43 7.775 11.484 -11.524 1.00 0.00 C ATOM 660 C LYS A 43 7.426 10.394 -12.539 1.00 0.00 C ATOM 661 O LYS A 43 7.569 10.579 -13.730 1.00 0.00 O ATOM 662 CB LYS A 43 8.562 10.852 -10.378 1.00 0.00 C ATOM 663 CG LYS A 43 9.114 11.946 -9.462 1.00 0.00 C ATOM 664 CD LYS A 43 10.064 11.326 -8.429 1.00 0.00 C ATOM 665 CE LYS A 43 9.282 10.442 -7.450 1.00 0.00 C ATOM 666 NZ LYS A 43 10.125 10.172 -6.251 1.00 0.00 N ATOM 0 H LYS A 43 6.092 11.600 -10.214 1.00 0.00 H new ATOM 0 HA LYS A 43 8.372 12.257 -12.008 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.918 10.180 -9.810 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.380 10.250 -10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.642 12.695 -10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.295 12.457 -8.956 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.826 10.734 -8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.583 12.114 -7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.357 10.937 -7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.003 9.505 -7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.853 9.259 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.126 10.140 -6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.985 10.928 -5.551 1.00 0.00 H new ATOM 680 N GLU A 44 6.989 9.250 -12.073 1.00 0.00 N ATOM 681 CA GLU A 44 6.650 8.131 -13.005 1.00 0.00 C ATOM 682 C GLU A 44 5.142 8.077 -13.246 1.00 0.00 C ATOM 683 O GLU A 44 4.350 8.472 -12.415 1.00 0.00 O ATOM 684 CB GLU A 44 7.112 6.810 -12.392 1.00 0.00 C ATOM 685 CG GLU A 44 8.640 6.773 -12.371 1.00 0.00 C ATOM 686 CD GLU A 44 9.107 5.478 -11.710 1.00 0.00 C ATOM 687 OE1 GLU A 44 8.256 4.708 -11.296 1.00 0.00 O ATOM 688 OE2 GLU A 44 10.307 5.279 -11.625 1.00 0.00 O ATOM 0 H GLU A 44 6.852 9.043 -11.084 1.00 0.00 H new ATOM 0 HA GLU A 44 7.153 8.298 -13.958 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.720 6.708 -11.380 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.724 5.971 -12.970 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.030 6.837 -13.387 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.028 7.633 -11.826 1.00 0.00 H new ATOM 695 N SER A 45 4.743 7.593 -14.389 1.00 0.00 N ATOM 696 CA SER A 45 3.292 7.512 -14.708 1.00 0.00 C ATOM 697 C SER A 45 2.645 6.364 -13.927 1.00 0.00 C ATOM 698 O SER A 45 3.313 5.483 -13.427 1.00 0.00 O ATOM 699 CB SER A 45 3.130 7.257 -16.206 1.00 0.00 C ATOM 700 OG SER A 45 3.948 6.155 -16.579 1.00 0.00 O ATOM 0 H SER A 45 5.365 7.248 -15.120 1.00 0.00 H new ATOM 0 HA SER A 45 2.807 8.448 -14.430 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.086 7.048 -16.442 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.413 8.145 -16.772 1.00 0.00 H new ATOM 0 HG SER A 45 3.848 5.984 -17.539 1.00 0.00 H new ATOM 706 N THR A 46 1.344 6.368 -13.829 1.00 0.00 N ATOM 707 CA THR A 46 0.637 5.282 -13.092 1.00 0.00 C ATOM 708 C THR A 46 0.812 3.956 -13.840 1.00 0.00 C ATOM 709 O THR A 46 0.873 2.899 -13.245 1.00 0.00 O ATOM 710 CB THR A 46 -0.849 5.630 -13.012 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.342 5.862 -14.324 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.034 6.890 -12.168 1.00 0.00 C ATOM 0 H THR A 46 0.736 7.082 -14.231 1.00 0.00 H new ATOM 0 HA THR A 46 1.051 5.184 -12.089 1.00 0.00 H new ATOM 0 HB THR A 46 -1.395 4.806 -12.553 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.317 5.765 -14.329 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.094 7.138 -12.111 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.648 6.715 -11.164 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.492 7.717 -12.626 1.00 0.00 H new ATOM 720 N ASP A 47 0.891 4.004 -15.141 1.00 0.00 N ATOM 721 CA ASP A 47 1.060 2.751 -15.928 1.00 0.00 C ATOM 722 C ASP A 47 2.464 2.188 -15.703 1.00 0.00 C ATOM 723 O ASP A 47 2.730 1.033 -15.963 1.00 0.00 O ATOM 724 CB ASP A 47 0.873 3.066 -17.412 1.00 0.00 C ATOM 725 CG ASP A 47 -0.600 3.379 -17.690 1.00 0.00 C ATOM 726 OD1 ASP A 47 -1.422 3.066 -16.844 1.00 0.00 O ATOM 727 OD2 ASP A 47 -0.877 3.928 -18.742 1.00 0.00 O ATOM 0 H ASP A 47 0.846 4.860 -15.694 1.00 0.00 H new ATOM 0 HA ASP A 47 0.322 2.016 -15.608 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.495 3.915 -17.695 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.196 2.219 -18.017 1.00 0.00 H new ATOM 732 N ASP A 48 3.367 2.999 -15.227 1.00 0.00 N ATOM 733 CA ASP A 48 4.754 2.511 -14.994 1.00 0.00 C ATOM 734 C ASP A 48 4.803 1.724 -13.686 1.00 0.00 C ATOM 735 O ASP A 48 5.813 1.151 -13.336 1.00 0.00 O ATOM 736 CB ASP A 48 5.695 3.712 -14.894 1.00 0.00 C ATOM 737 CG ASP A 48 7.148 3.236 -14.941 1.00 0.00 C ATOM 738 OD1 ASP A 48 7.361 2.034 -14.932 1.00 0.00 O ATOM 739 OD2 ASP A 48 8.023 4.084 -14.991 1.00 0.00 O ATOM 0 H ASP A 48 3.205 3.978 -14.990 1.00 0.00 H new ATOM 0 HA ASP A 48 5.060 1.867 -15.818 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.503 4.405 -15.713 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.510 4.255 -13.967 1.00 0.00 H new ATOM 744 N ILE A 49 3.718 1.691 -12.958 1.00 0.00 N ATOM 745 CA ILE A 49 3.705 0.942 -11.667 1.00 0.00 C ATOM 746 C ILE A 49 3.153 -0.462 -11.897 1.00 0.00 C ATOM 747 O ILE A 49 2.017 -0.639 -12.292 1.00 0.00 O ATOM 748 CB ILE A 49 2.822 1.690 -10.665 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.434 3.069 -10.395 1.00 0.00 C ATOM 750 CG2 ILE A 49 2.740 0.900 -9.358 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.441 3.931 -9.612 1.00 0.00 C ATOM 0 H ILE A 49 2.840 2.150 -13.201 1.00 0.00 H new ATOM 0 HA ILE A 49 4.719 0.865 -11.273 1.00 0.00 H new ATOM 0 HB ILE A 49 1.818 1.805 -11.074 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.361 2.962 -9.831 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.688 3.555 -11.337 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.111 1.436 -8.648 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.311 -0.083 -9.553 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.740 0.783 -8.940 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.880 4.910 -9.422 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.526 4.050 -10.192 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.209 3.447 -8.663 1.00 0.00 H new ATOM 763 N THR A 50 3.958 -1.464 -11.647 1.00 0.00 N ATOM 764 CA THR A 50 3.516 -2.880 -11.835 1.00 0.00 C ATOM 765 C THR A 50 3.476 -3.571 -10.473 1.00 0.00 C ATOM 766 O THR A 50 3.147 -4.732 -10.365 1.00 0.00 O ATOM 767 CB THR A 50 4.516 -3.597 -12.749 1.00 0.00 C ATOM 768 OG1 THR A 50 5.838 -3.335 -12.299 1.00 0.00 O ATOM 769 CG2 THR A 50 4.354 -3.088 -14.182 1.00 0.00 C ATOM 0 H THR A 50 4.917 -1.359 -11.316 1.00 0.00 H new ATOM 0 HA THR A 50 2.525 -2.909 -12.288 1.00 0.00 H new ATOM 0 HB THR A 50 4.328 -4.670 -12.723 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.479 -3.794 -12.881 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.065 -3.598 -14.832 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.339 -3.288 -14.527 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.542 -2.015 -14.210 1.00 0.00 H new ATOM 777 N GLY A 51 3.808 -2.862 -9.427 1.00 0.00 N ATOM 778 CA GLY A 51 3.785 -3.485 -8.075 1.00 0.00 C ATOM 779 C GLY A 51 4.053 -2.421 -7.008 1.00 0.00 C ATOM 780 O GLY A 51 4.273 -1.267 -7.314 1.00 0.00 O ATOM 0 H GLY A 51 4.093 -1.883 -9.451 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.818 -3.955 -7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.537 -4.271 -8.014 1.00 0.00 H new ATOM 784 N MET A 52 4.030 -2.807 -5.755 1.00 0.00 N ATOM 785 CA MET A 52 4.281 -1.834 -4.644 1.00 0.00 C ATOM 786 C MET A 52 5.330 -2.425 -3.702 1.00 0.00 C ATOM 787 O MET A 52 5.300 -3.599 -3.394 1.00 0.00 O ATOM 788 CB MET A 52 2.975 -1.604 -3.878 1.00 0.00 C ATOM 789 CG MET A 52 3.201 -0.575 -2.771 1.00 0.00 C ATOM 790 SD MET A 52 1.631 -0.242 -1.931 1.00 0.00 S ATOM 791 CE MET A 52 1.395 -1.883 -1.202 1.00 0.00 C ATOM 0 H MET A 52 3.846 -3.763 -5.451 1.00 0.00 H new ATOM 0 HA MET A 52 4.639 -0.886 -5.045 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.199 -1.255 -4.559 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.624 -2.542 -3.449 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.936 -0.947 -2.058 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.604 0.346 -3.192 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.936 -1.782 -0.218 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.746 -2.477 -1.846 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.360 -2.379 -1.103 1.00 0.00 H new ATOM 801 N TYR A 53 6.266 -1.624 -3.248 1.00 0.00 N ATOM 802 CA TYR A 53 7.331 -2.144 -2.330 1.00 0.00 C ATOM 803 C TYR A 53 7.077 -1.655 -0.902 1.00 0.00 C ATOM 804 O TYR A 53 6.994 -0.470 -0.643 1.00 0.00 O ATOM 805 CB TYR A 53 8.688 -1.624 -2.805 1.00 0.00 C ATOM 806 CG TYR A 53 9.013 -2.228 -4.150 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.527 -1.634 -5.322 1.00 0.00 C ATOM 808 CD2 TYR A 53 9.797 -3.384 -4.227 1.00 0.00 C ATOM 809 CE1 TYR A 53 8.828 -2.194 -6.569 1.00 0.00 C ATOM 810 CE2 TYR A 53 10.098 -3.944 -5.473 1.00 0.00 C ATOM 811 CZ TYR A 53 9.613 -3.351 -6.645 1.00 0.00 C ATOM 812 OH TYR A 53 9.911 -3.904 -7.874 1.00 0.00 O ATOM 0 H TYR A 53 6.338 -0.632 -3.474 1.00 0.00 H new ATOM 0 HA TYR A 53 7.319 -3.234 -2.341 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.668 -0.537 -2.877 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.462 -1.881 -2.082 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.919 -0.743 -5.263 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.170 -3.844 -3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.455 -1.734 -7.472 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.705 -4.835 -5.531 1.00 0.00 H new ATOM 0 HH TYR A 53 10.466 -4.702 -7.748 1.00 0.00 H new ATOM 822 N LEU A 54 6.959 -2.568 0.027 1.00 0.00 N ATOM 823 CA LEU A 54 6.721 -2.187 1.451 1.00 0.00 C ATOM 824 C LEU A 54 8.048 -2.238 2.204 1.00 0.00 C ATOM 825 O LEU A 54 8.739 -3.239 2.182 1.00 0.00 O ATOM 826 CB LEU A 54 5.735 -3.178 2.067 1.00 0.00 C ATOM 827 CG LEU A 54 4.420 -3.147 1.276 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.464 -4.200 1.843 1.00 0.00 C ATOM 829 CD2 LEU A 54 3.777 -1.752 1.377 1.00 0.00 C ATOM 0 H LEU A 54 7.018 -3.572 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 54 6.309 -1.180 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.157 -4.183 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.551 -2.923 3.111 1.00 0.00 H new ATOM 0 HG LEU A 54 4.624 -3.365 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.529 -4.181 1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.918 -5.187 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.264 -3.982 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.845 -1.739 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.572 -1.521 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.459 -1.007 0.968 1.00 0.00 H new ATOM 841 N ILE A 55 8.414 -1.165 2.860 1.00 0.00 N ATOM 842 CA ILE A 55 9.709 -1.133 3.610 1.00 0.00 C ATOM 843 C ILE A 55 9.446 -1.192 5.113 1.00 0.00 C ATOM 844 O ILE A 55 8.664 -0.434 5.647 1.00 0.00 O ATOM 845 CB ILE A 55 10.439 0.166 3.272 1.00 0.00 C ATOM 846 CG1 ILE A 55 10.733 0.203 1.764 1.00 0.00 C ATOM 847 CG2 ILE A 55 11.756 0.228 4.048 1.00 0.00 C ATOM 848 CD1 ILE A 55 9.445 0.422 0.945 1.00 0.00 C ATOM 0 H ILE A 55 7.869 -0.304 2.909 1.00 0.00 H new ATOM 0 HA ILE A 55 10.317 -1.992 3.325 1.00 0.00 H new ATOM 0 HB ILE A 55 9.816 1.018 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.443 1.002 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.204 -0.732 1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.277 1.155 3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.550 0.195 5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.381 -0.622 3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.688 0.443 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.746 -0.391 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.988 1.369 1.231 1.00 0.00 H new ATOM 860 N ASP A 56 10.100 -2.087 5.803 1.00 0.00 N ATOM 861 CA ASP A 56 9.896 -2.194 7.276 1.00 0.00 C ATOM 862 C ASP A 56 11.180 -2.715 7.926 1.00 0.00 C ATOM 863 O ASP A 56 11.655 -3.786 7.609 1.00 0.00 O ATOM 864 CB ASP A 56 8.733 -3.148 7.572 1.00 0.00 C ATOM 865 CG ASP A 56 9.010 -4.520 6.954 1.00 0.00 C ATOM 866 OD1 ASP A 56 9.942 -4.620 6.173 1.00 0.00 O ATOM 867 OD2 ASP A 56 8.278 -5.444 7.265 1.00 0.00 O ATOM 0 H ASP A 56 10.768 -2.750 5.409 1.00 0.00 H new ATOM 0 HA ASP A 56 9.657 -1.212 7.684 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.598 -3.246 8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.806 -2.740 7.170 1.00 0.00 H new ATOM 872 N ASP A 57 11.747 -1.952 8.826 1.00 0.00 N ATOM 873 CA ASP A 57 13.008 -2.375 9.512 1.00 0.00 C ATOM 874 C ASP A 57 14.121 -2.583 8.480 1.00 0.00 C ATOM 875 O ASP A 57 14.954 -1.723 8.275 1.00 0.00 O ATOM 876 CB ASP A 57 12.774 -3.677 10.287 1.00 0.00 C ATOM 877 CG ASP A 57 14.021 -4.007 11.108 1.00 0.00 C ATOM 878 OD1 ASP A 57 15.017 -3.325 10.937 1.00 0.00 O ATOM 879 OD2 ASP A 57 13.957 -4.937 11.897 1.00 0.00 O ATOM 0 H ASP A 57 11.387 -1.044 9.119 1.00 0.00 H new ATOM 0 HA ASP A 57 13.307 -1.593 10.210 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.910 -3.573 10.943 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.554 -4.491 9.596 1.00 0.00 H new ATOM 884 N GLU A 58 14.147 -3.717 7.834 1.00 0.00 N ATOM 885 CA GLU A 58 15.209 -3.984 6.818 1.00 0.00 C ATOM 886 C GLU A 58 14.615 -4.826 5.692 1.00 0.00 C ATOM 887 O GLU A 58 14.923 -4.640 4.533 1.00 0.00 O ATOM 888 CB GLU A 58 16.356 -4.762 7.476 1.00 0.00 C ATOM 889 CG GLU A 58 17.482 -4.978 6.461 1.00 0.00 C ATOM 890 CD GLU A 58 18.650 -5.700 7.137 1.00 0.00 C ATOM 891 OE1 GLU A 58 18.667 -5.748 8.356 1.00 0.00 O ATOM 892 OE2 GLU A 58 19.508 -6.194 6.422 1.00 0.00 O ATOM 0 H GLU A 58 13.476 -4.474 7.966 1.00 0.00 H new ATOM 0 HA GLU A 58 15.586 -3.042 6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 58 16.732 -4.213 8.340 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.994 -5.723 7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 58 17.118 -5.565 5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.815 -4.020 6.063 1.00 0.00 H new ATOM 899 N GLY A 59 13.769 -5.757 6.033 1.00 0.00 N ATOM 900 CA GLY A 59 13.151 -6.629 4.996 1.00 0.00 C ATOM 901 C GLY A 59 12.077 -5.859 4.224 1.00 0.00 C ATOM 902 O GLY A 59 11.721 -4.751 4.572 1.00 0.00 O ATOM 0 H GLY A 59 13.477 -5.952 6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.917 -6.986 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.710 -7.508 5.466 1.00 0.00 H new ATOM 906 N GLU A 60 11.559 -6.439 3.174 1.00 0.00 N ATOM 907 CA GLU A 60 10.506 -5.745 2.374 1.00 0.00 C ATOM 908 C GLU A 60 9.609 -6.785 1.703 1.00 0.00 C ATOM 909 O GLU A 60 10.011 -7.910 1.484 1.00 0.00 O ATOM 910 CB GLU A 60 11.165 -4.865 1.303 1.00 0.00 C ATOM 911 CG GLU A 60 12.181 -5.687 0.501 1.00 0.00 C ATOM 912 CD GLU A 60 13.424 -5.945 1.355 1.00 0.00 C ATOM 913 OE1 GLU A 60 13.757 -5.088 2.156 1.00 0.00 O ATOM 914 OE2 GLU A 60 14.021 -6.996 1.192 1.00 0.00 O ATOM 0 H GLU A 60 11.820 -7.365 2.835 1.00 0.00 H new ATOM 0 HA GLU A 60 9.906 -5.118 3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.405 -4.460 0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.662 -4.016 1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.736 -6.633 0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.457 -5.154 -0.409 1.00 0.00 H new ATOM 921 N ILE A 61 8.398 -6.414 1.376 1.00 0.00 N ATOM 922 CA ILE A 61 7.449 -7.370 0.714 1.00 0.00 C ATOM 923 C ILE A 61 7.146 -6.878 -0.699 1.00 0.00 C ATOM 924 O ILE A 61 6.913 -5.707 -0.920 1.00 0.00 O ATOM 925 CB ILE A 61 6.156 -7.444 1.525 1.00 0.00 C ATOM 926 CG1 ILE A 61 6.463 -8.070 2.888 1.00 0.00 C ATOM 927 CG2 ILE A 61 5.129 -8.301 0.782 1.00 0.00 C ATOM 928 CD1 ILE A 61 5.246 -7.938 3.805 1.00 0.00 C ATOM 0 H ILE A 61 8.019 -5.481 1.539 1.00 0.00 H new ATOM 0 HA ILE A 61 7.898 -8.362 0.664 1.00 0.00 H new ATOM 0 HB ILE A 61 5.748 -6.443 1.662 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.725 -9.121 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.325 -7.578 3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.208 -8.351 1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.920 -7.856 -0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.526 -9.307 0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.470 -8.385 4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.004 -6.884 3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.395 -8.451 3.357 1.00 0.00 H new ATOM 940 N ILE A 62 7.160 -7.761 -1.663 1.00 0.00 N ATOM 941 CA ILE A 62 6.889 -7.350 -3.074 1.00 0.00 C ATOM 942 C ILE A 62 5.458 -7.723 -3.447 1.00 0.00 C ATOM 943 O ILE A 62 5.060 -8.864 -3.329 1.00 0.00 O ATOM 944 CB ILE A 62 7.851 -8.093 -4.000 1.00 0.00 C ATOM 945 CG1 ILE A 62 9.276 -7.995 -3.444 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.794 -7.481 -5.400 1.00 0.00 C ATOM 947 CD1 ILE A 62 9.632 -6.529 -3.169 1.00 0.00 C ATOM 0 H ILE A 62 7.349 -8.755 -1.533 1.00 0.00 H new ATOM 0 HA ILE A 62 7.025 -6.273 -3.174 1.00 0.00 H new ATOM 0 HB ILE A 62 7.561 -9.142 -4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.358 -8.576 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.983 -8.422 -4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.481 -8.013 -6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.780 -7.563 -5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.080 -6.430 -5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.646 -6.469 -2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.569 -5.959 -4.096 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.934 -6.116 -2.441 1.00 0.00 H new ATOM 959 N THR A 63 4.683 -6.770 -3.902 1.00 0.00 N ATOM 960 CA THR A 63 3.267 -7.055 -4.298 1.00 0.00 C ATOM 961 C THR A 63 3.054 -6.628 -5.749 1.00 0.00 C ATOM 962 O THR A 63 3.318 -5.503 -6.121 1.00 0.00 O ATOM 963 CB THR A 63 2.321 -6.272 -3.390 1.00 0.00 C ATOM 964 OG1 THR A 63 2.480 -6.713 -2.049 1.00 0.00 O ATOM 965 CG2 THR A 63 0.878 -6.499 -3.838 1.00 0.00 C ATOM 0 H THR A 63 4.972 -5.799 -4.017 1.00 0.00 H new ATOM 0 HA THR A 63 3.064 -8.121 -4.199 1.00 0.00 H new ATOM 0 HB THR A 63 2.554 -5.209 -3.452 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.447 -5.942 -1.445 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.203 -5.940 -3.190 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.758 -6.158 -4.866 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.641 -7.561 -3.778 1.00 0.00 H new ATOM 973 N ARG A 64 2.575 -7.521 -6.570 1.00 0.00 N ATOM 974 CA ARG A 64 2.338 -7.187 -8.006 1.00 0.00 C ATOM 975 C ARG A 64 0.861 -6.835 -8.192 1.00 0.00 C ATOM 976 O ARG A 64 0.441 -6.398 -9.244 1.00 0.00 O ATOM 977 CB ARG A 64 2.685 -8.423 -8.850 1.00 0.00 C ATOM 978 CG ARG A 64 2.991 -8.027 -10.306 1.00 0.00 C ATOM 979 CD ARG A 64 4.468 -7.632 -10.445 1.00 0.00 C ATOM 980 NE ARG A 64 4.749 -7.258 -11.863 1.00 0.00 N ATOM 981 CZ ARG A 64 5.131 -8.165 -12.724 1.00 0.00 C ATOM 982 NH1 ARG A 64 5.257 -9.412 -12.357 1.00 0.00 N ATOM 983 NH2 ARG A 64 5.386 -7.820 -13.957 1.00 0.00 N ATOM 0 H ARG A 64 2.335 -8.477 -6.307 1.00 0.00 H new ATOM 0 HA ARG A 64 2.953 -6.342 -8.314 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.547 -8.932 -8.419 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.854 -9.128 -8.828 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.765 -8.859 -10.973 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.354 -7.195 -10.607 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.696 -6.795 -9.784 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.108 -8.461 -10.142 1.00 0.00 H new ATOM 0 HE ARG A 64 4.642 -6.289 -12.162 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.057 -9.683 -11.394 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.555 -10.115 -13.033 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.287 -6.847 -14.245 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.684 -8.524 -14.632 1.00 0.00 H new ATOM 997 N GLU A 65 0.069 -7.034 -7.176 1.00 0.00 N ATOM 998 CA GLU A 65 -1.382 -6.725 -7.289 1.00 0.00 C ATOM 999 C GLU A 65 -1.623 -5.241 -7.020 1.00 0.00 C ATOM 1000 O GLU A 65 -1.952 -4.853 -5.919 1.00 0.00 O ATOM 1001 CB GLU A 65 -2.149 -7.566 -6.270 1.00 0.00 C ATOM 1002 CG GLU A 65 -2.089 -9.034 -6.691 1.00 0.00 C ATOM 1003 CD GLU A 65 -2.776 -9.901 -5.637 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -3.298 -9.342 -4.686 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -2.769 -11.110 -5.797 1.00 0.00 O ATOM 0 H GLU A 65 0.365 -7.398 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.728 -6.959 -8.296 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.717 -7.441 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.185 -7.233 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.576 -9.165 -7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.051 -9.345 -6.812 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.464 -4.406 -8.022 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.689 -2.936 -7.837 1.00 0.00 C ATOM 1014 C VAL A 66 -2.695 -2.441 -8.874 1.00 0.00 C ATOM 1015 O VAL A 66 -2.605 -2.770 -10.039 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.364 -2.186 -8.001 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.625 -0.676 -8.043 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.547 -2.510 -6.817 1.00 0.00 C ATOM 0 H VAL A 66 -1.187 -4.682 -8.964 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.081 -2.752 -6.837 1.00 0.00 H new ATOM 0 HB VAL A 66 0.114 -2.494 -8.931 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.321 -0.146 -8.160 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.278 -0.443 -8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.104 -0.364 -7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.492 -1.978 -6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.064 -2.200 -5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.736 -3.583 -6.786 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.654 -1.650 -8.456 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.680 -1.116 -9.407 1.00 0.00 C ATOM 1030 C LYS A 67 -4.717 0.408 -9.305 1.00 0.00 C ATOM 1031 O LYS A 67 -4.577 0.971 -8.238 1.00 0.00 O ATOM 1032 CB LYS A 67 -6.048 -1.690 -9.047 1.00 0.00 C ATOM 1033 CG LYS A 67 -6.061 -3.188 -9.348 1.00 0.00 C ATOM 1034 CD LYS A 67 -7.434 -3.765 -9.010 1.00 0.00 C ATOM 1035 CE LYS A 67 -7.470 -5.246 -9.387 1.00 0.00 C ATOM 1036 NZ LYS A 67 -6.452 -5.987 -8.587 1.00 0.00 N ATOM 0 H LYS A 67 -3.771 -1.349 -7.488 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.424 -1.404 -10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.262 -1.517 -7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.828 -1.186 -9.617 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.832 -3.360 -10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.290 -3.693 -8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.639 -3.644 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.211 -3.222 -9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.463 -5.656 -9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.270 -5.366 -10.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.679 -7.002 -8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.510 -5.841 -9.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.456 -5.635 -7.608 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.892 1.080 -10.413 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.929 2.573 -10.397 1.00 0.00 C ATOM 1052 C GLY A 68 -6.375 3.064 -10.404 1.00 0.00 C ATOM 1053 O GLY A 68 -7.221 2.520 -11.087 1.00 0.00 O ATOM 0 H GLY A 68 -5.012 0.657 -11.333 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.414 2.947 -9.512 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.399 2.967 -11.264 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.663 4.096 -9.655 1.00 0.00 N ATOM 1058 CA LYS A 69 -8.051 4.651 -9.614 1.00 0.00 C ATOM 1059 C LYS A 69 -8.057 5.975 -10.371 1.00 0.00 C ATOM 1060 O LYS A 69 -7.598 6.990 -9.882 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.449 4.876 -8.152 1.00 0.00 C ATOM 1062 CG LYS A 69 -8.378 3.548 -7.382 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.444 2.575 -7.902 1.00 0.00 C ATOM 1064 CE LYS A 69 -9.640 1.439 -6.898 1.00 0.00 C ATOM 1065 NZ LYS A 69 -10.744 0.558 -7.371 1.00 0.00 N ATOM 0 H LYS A 69 -5.990 4.584 -9.064 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.761 3.963 -10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.785 5.609 -7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.458 5.284 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.387 3.107 -7.494 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.528 3.728 -6.318 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.386 3.102 -8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.141 2.171 -8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.719 0.865 -6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.876 1.843 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.884 -0.218 -6.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.621 1.112 -7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.499 0.164 -8.302 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.561 5.963 -11.580 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.588 7.203 -12.409 1.00 0.00 C ATOM 1081 C PHE A 70 -9.993 7.799 -12.401 1.00 0.00 C ATOM 1082 O PHE A 70 -10.974 7.085 -12.367 1.00 0.00 O ATOM 1083 CB PHE A 70 -8.217 6.842 -13.847 1.00 0.00 C ATOM 1084 CG PHE A 70 -6.856 6.191 -13.870 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -5.703 6.976 -13.973 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -6.748 4.798 -13.786 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -4.443 6.370 -13.991 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -5.488 4.192 -13.807 1.00 0.00 C ATOM 1089 CZ PHE A 70 -4.334 4.979 -13.910 1.00 0.00 C ATOM 0 H PHE A 70 -8.958 5.138 -12.030 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.882 7.927 -12.002 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.962 6.166 -14.267 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.213 7.738 -14.468 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.786 8.051 -14.039 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.638 4.191 -13.705 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.553 6.977 -14.068 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.405 3.117 -13.744 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.361 4.511 -13.927 1.00 0.00 H new ATOM 1099 N ILE A 71 -10.092 9.102 -12.447 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.429 9.777 -12.461 1.00 0.00 C ATOM 1101 C ILE A 71 -11.541 10.622 -13.728 1.00 0.00 C ATOM 1102 O ILE A 71 -10.627 11.340 -14.083 1.00 0.00 O ATOM 1103 CB ILE A 71 -11.565 10.659 -11.221 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -11.551 9.767 -9.976 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -12.882 11.432 -11.291 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -11.487 10.631 -8.715 1.00 0.00 C ATOM 0 H ILE A 71 -9.294 9.737 -12.476 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.227 9.034 -12.451 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.738 11.368 -11.173 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.445 9.144 -9.955 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.694 9.094 -10.010 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.981 12.062 -10.407 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.890 12.056 -12.185 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.714 10.730 -11.331 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.477 9.989 -7.834 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.580 11.235 -8.734 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.358 11.285 -8.678 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.644 10.521 -14.425 1.00 0.00 N ATOM 1119 CA ASN A 72 -12.829 11.293 -15.694 1.00 0.00 C ATOM 1120 C ASN A 72 -12.220 12.698 -15.575 1.00 0.00 C ATOM 1121 O ASN A 72 -12.855 13.629 -15.127 1.00 0.00 O ATOM 1122 CB ASN A 72 -14.326 11.403 -15.998 1.00 0.00 C ATOM 1123 CG ASN A 72 -15.084 11.789 -14.725 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -15.930 10.941 -14.204 1.00 0.00 O flip ATOM 1125 ND2 ASN A 72 -14.906 12.868 -14.200 1.00 0.00 N flip ATOM 0 H ASN A 72 -13.434 9.930 -14.167 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.320 10.769 -16.503 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -14.495 12.149 -16.774 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -14.700 10.454 -16.382 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.245 13.530 -14.607 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.417 13.113 -13.352 1.00 0.00 H new ATOM 1132 N GLY A 73 -10.985 12.846 -15.981 1.00 0.00 N ATOM 1133 CA GLY A 73 -10.311 14.176 -15.902 1.00 0.00 C ATOM 1134 C GLY A 73 -8.802 13.956 -15.806 1.00 0.00 C ATOM 1135 O GLY A 73 -8.049 14.369 -16.663 1.00 0.00 O ATOM 0 H GLY A 73 -10.411 12.096 -16.367 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.550 14.774 -16.782 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -10.668 14.730 -15.034 1.00 0.00 H new ATOM 1139 N ARG A 74 -8.349 13.286 -14.780 1.00 0.00 N ATOM 1140 CA ARG A 74 -6.887 13.023 -14.655 1.00 0.00 C ATOM 1141 C ARG A 74 -6.634 12.158 -13.406 1.00 0.00 C ATOM 1142 O ARG A 74 -7.374 12.230 -12.444 1.00 0.00 O ATOM 1143 CB ARG A 74 -6.125 14.351 -14.536 1.00 0.00 C ATOM 1144 CG ARG A 74 -6.910 15.324 -13.651 1.00 0.00 C ATOM 1145 CD ARG A 74 -5.989 16.462 -13.195 1.00 0.00 C ATOM 1146 NE ARG A 74 -5.149 16.924 -14.342 1.00 0.00 N ATOM 1147 CZ ARG A 74 -3.999 17.514 -14.126 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -3.568 17.686 -12.905 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -3.279 17.932 -15.132 1.00 0.00 N ATOM 0 H ARG A 74 -8.926 12.911 -14.027 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.534 12.495 -15.541 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.136 14.176 -14.112 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.975 14.785 -15.525 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.759 15.728 -14.202 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.313 14.799 -12.785 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.583 17.291 -12.810 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.351 16.121 -12.379 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.473 16.779 -15.298 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.127 17.361 -12.116 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.672 18.146 -12.740 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.612 17.799 -16.087 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.384 18.391 -14.963 1.00 0.00 H new ATOM 1163 N PRO A 75 -5.594 11.350 -13.409 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.261 10.478 -12.248 1.00 0.00 C ATOM 1165 C PRO A 75 -5.475 11.199 -10.913 1.00 0.00 C ATOM 1166 O PRO A 75 -4.847 12.199 -10.632 1.00 0.00 O ATOM 1167 CB PRO A 75 -3.774 10.157 -12.456 1.00 0.00 C ATOM 1168 CG PRO A 75 -3.537 10.260 -13.938 1.00 0.00 C ATOM 1169 CD PRO A 75 -4.639 11.169 -14.518 1.00 0.00 C ATOM 0 HA PRO A 75 -5.894 9.592 -12.202 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.142 10.857 -11.909 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.534 9.159 -12.090 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.550 10.676 -14.141 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.569 9.274 -14.401 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.231 12.124 -14.850 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.118 10.709 -15.382 1.00 0.00 H new ATOM 1177 N THR A 76 -6.359 10.689 -10.089 1.00 0.00 N ATOM 1178 CA THR A 76 -6.636 11.331 -8.766 1.00 0.00 C ATOM 1179 C THR A 76 -6.127 10.439 -7.633 1.00 0.00 C ATOM 1180 O THR A 76 -5.695 10.924 -6.610 1.00 0.00 O ATOM 1181 CB THR A 76 -8.143 11.528 -8.613 1.00 0.00 C ATOM 1182 OG1 THR A 76 -8.664 12.111 -9.798 1.00 0.00 O ATOM 1183 CG2 THR A 76 -8.420 12.449 -7.423 1.00 0.00 C ATOM 0 H THR A 76 -6.905 9.848 -10.279 1.00 0.00 H new ATOM 0 HA THR A 76 -6.126 12.293 -8.719 1.00 0.00 H new ATOM 0 HB THR A 76 -8.622 10.564 -8.442 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.218 12.885 -9.565 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.495 12.589 -7.314 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.019 12.000 -6.514 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.943 13.415 -7.592 1.00 0.00 H new ATOM 1191 N ALA A 77 -6.182 9.139 -7.784 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.702 8.264 -6.673 1.00 0.00 C ATOM 1193 C ALA A 77 -5.315 6.879 -7.197 1.00 0.00 C ATOM 1194 O ALA A 77 -5.671 6.493 -8.290 1.00 0.00 O ATOM 1195 CB ALA A 77 -6.816 8.113 -5.636 1.00 0.00 C ATOM 0 H ALA A 77 -6.531 8.654 -8.611 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.823 8.725 -6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.471 7.475 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.081 9.094 -5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.691 7.662 -6.105 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.593 6.133 -6.399 1.00 0.00 N ATOM 1202 CA ILE A 78 -4.167 4.753 -6.796 1.00 0.00 C ATOM 1203 C ILE A 78 -4.585 3.784 -5.696 1.00 0.00 C ATOM 1204 O ILE A 78 -4.900 4.189 -4.597 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.647 4.712 -6.953 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -2.243 5.553 -8.163 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -2.180 3.266 -7.148 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.729 5.759 -8.154 1.00 0.00 C ATOM 0 H ILE A 78 -4.275 6.425 -5.475 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.633 4.476 -7.742 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.179 5.115 -6.055 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.548 5.056 -9.084 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.753 6.516 -8.137 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.096 3.246 -7.259 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.467 2.671 -6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.644 2.851 -8.043 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.438 6.359 -9.016 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.437 6.274 -7.239 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.230 4.791 -8.200 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.597 2.507 -5.974 1.00 0.00 N ATOM 1221 CA GLU A 79 -4.998 1.512 -4.930 1.00 0.00 C ATOM 1222 C GLU A 79 -4.096 0.287 -5.023 1.00 0.00 C ATOM 1223 O GLU A 79 -3.637 -0.077 -6.087 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.453 1.095 -5.163 1.00 0.00 C ATOM 1225 CG GLU A 79 -6.942 0.224 -3.997 1.00 0.00 C ATOM 1226 CD GLU A 79 -6.382 -1.194 -4.134 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -6.234 -1.648 -5.258 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -6.110 -1.804 -3.113 1.00 0.00 O ATOM 0 H GLU A 79 -4.347 2.108 -6.879 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.900 1.959 -3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.083 1.980 -5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.537 0.544 -6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.625 0.659 -3.049 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.032 0.194 -3.986 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.843 -0.356 -3.915 1.00 0.00 N ATOM 1236 CA ALA A 80 -2.975 -1.570 -3.928 1.00 0.00 C ATOM 1237 C ALA A 80 -3.551 -2.602 -2.964 1.00 0.00 C ATOM 1238 O ALA A 80 -4.083 -2.258 -1.930 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.557 -1.192 -3.492 1.00 0.00 C ATOM 0 H ALA A 80 -4.201 -0.092 -2.997 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.939 -1.987 -4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.924 -2.080 -3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.151 -0.449 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.585 -0.778 -2.484 1.00 0.00 H new ATOM 1245 N THR A 81 -3.459 -3.865 -3.301 1.00 0.00 N ATOM 1246 CA THR A 81 -4.008 -4.939 -2.412 1.00 0.00 C ATOM 1247 C THR A 81 -2.897 -5.922 -2.051 1.00 0.00 C ATOM 1248 O THR A 81 -2.183 -6.402 -2.909 1.00 0.00 O ATOM 1249 CB THR A 81 -5.120 -5.681 -3.153 1.00 0.00 C ATOM 1250 OG1 THR A 81 -6.171 -4.772 -3.448 1.00 0.00 O ATOM 1251 CG2 THR A 81 -5.649 -6.818 -2.278 1.00 0.00 C ATOM 0 H THR A 81 -3.024 -4.202 -4.160 1.00 0.00 H new ATOM 0 HA THR A 81 -4.405 -4.492 -1.500 1.00 0.00 H new ATOM 0 HB THR A 81 -4.729 -6.098 -4.081 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.924 -3.875 -3.139 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.442 -7.346 -2.808 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.839 -7.511 -2.053 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.044 -6.408 -1.349 1.00 0.00 H new ATOM 1259 N VAL A 82 -2.744 -6.224 -0.786 1.00 0.00 N ATOM 1260 CA VAL A 82 -1.676 -7.178 -0.350 1.00 0.00 C ATOM 1261 C VAL A 82 -2.322 -8.473 0.144 1.00 0.00 C ATOM 1262 O VAL A 82 -3.227 -8.459 0.953 1.00 0.00 O ATOM 1263 CB VAL A 82 -0.878 -6.545 0.784 1.00 0.00 C ATOM 1264 CG1 VAL A 82 0.175 -7.536 1.279 1.00 0.00 C ATOM 1265 CG2 VAL A 82 -0.186 -5.283 0.266 1.00 0.00 C ATOM 0 H VAL A 82 -3.317 -5.848 -0.030 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.015 -7.400 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.547 -6.287 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.747 -7.085 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.317 -8.439 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.847 -7.792 0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.387 -4.825 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.485 -5.546 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.936 -4.578 -0.092 1.00 0.00 H new ATOM 1275 N ILE A 83 -1.867 -9.592 -0.343 1.00 0.00 N ATOM 1276 CA ILE A 83 -2.452 -10.891 0.087 1.00 0.00 C ATOM 1277 C ILE A 83 -1.822 -11.329 1.409 1.00 0.00 C ATOM 1278 O ILE A 83 -0.616 -11.365 1.550 1.00 0.00 O ATOM 1279 CB ILE A 83 -2.170 -11.940 -0.986 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -2.598 -11.398 -2.357 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -2.934 -13.228 -0.675 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -4.056 -10.917 -2.314 1.00 0.00 C ATOM 0 H ILE A 83 -1.111 -9.663 -1.024 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.528 -10.782 0.225 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.102 -12.159 -1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.946 -10.575 -2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.488 -12.176 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.726 -13.970 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.618 -13.614 0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.004 -13.020 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.343 -10.536 -3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.706 -11.749 -2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.156 -10.124 -1.573 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.638 -11.663 2.377 1.00 0.00 N ATOM 1295 CA LEU A 84 -2.119 -12.109 3.706 1.00 0.00 C ATOM 1296 C LEU A 84 -2.566 -13.550 3.950 1.00 0.00 C ATOM 1297 O LEU A 84 -2.900 -13.938 5.051 1.00 0.00 O ATOM 1298 CB LEU A 84 -2.683 -11.187 4.790 1.00 0.00 C ATOM 1299 CG LEU A 84 -2.276 -9.735 4.488 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -2.898 -8.804 5.533 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -0.742 -9.594 4.517 1.00 0.00 C ATOM 0 H LEU A 84 -3.655 -11.645 2.302 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.030 -12.063 3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.769 -11.272 4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.307 -11.486 5.769 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.635 -9.464 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.610 -7.774 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.984 -8.892 5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.543 -9.082 6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.467 -8.561 4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.370 -9.870 5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.302 -10.251 3.766 1.00 0.00 H new ATOM 1313 N ASN A 85 -2.567 -14.350 2.918 1.00 0.00 N ATOM 1314 CA ASN A 85 -2.982 -15.768 3.067 1.00 0.00 C ATOM 1315 C ASN A 85 -2.008 -16.485 4.004 1.00 0.00 C ATOM 1316 O ASN A 85 -2.399 -17.294 4.819 1.00 0.00 O ATOM 1317 CB ASN A 85 -2.946 -16.449 1.693 1.00 0.00 C ATOM 1318 CG ASN A 85 -4.184 -16.058 0.885 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -5.366 -16.235 1.402 1.00 0.00 O flip ATOM 1320 ND2 ASN A 85 -4.073 -15.595 -0.232 1.00 0.00 N flip ATOM 0 H ASN A 85 -2.296 -14.077 1.973 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.990 -15.813 3.479 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.044 -16.157 1.156 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.908 -17.531 1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.147 -15.456 -0.637 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.906 -15.345 -0.765 1.00 0.00 H new ATOM 1327 N SER A 86 -0.741 -16.211 3.877 1.00 0.00 N ATOM 1328 CA SER A 86 0.262 -16.898 4.740 1.00 0.00 C ATOM 1329 C SER A 86 0.264 -16.281 6.150 1.00 0.00 C ATOM 1330 O SER A 86 -0.039 -15.121 6.334 1.00 0.00 O ATOM 1331 CB SER A 86 1.644 -16.776 4.090 1.00 0.00 C ATOM 1332 OG SER A 86 2.390 -17.957 4.358 1.00 0.00 O ATOM 0 H SER A 86 -0.355 -15.540 3.213 1.00 0.00 H new ATOM 0 HA SER A 86 0.004 -17.952 4.837 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.542 -16.631 3.014 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.168 -15.904 4.481 1.00 0.00 H new ATOM 0 HG SER A 86 3.275 -17.886 3.943 1.00 0.00 H new ATOM 1338 N GLN A 87 0.602 -17.064 7.140 1.00 0.00 N ATOM 1339 CA GLN A 87 0.620 -16.556 8.546 1.00 0.00 C ATOM 1340 C GLN A 87 1.826 -15.620 8.765 1.00 0.00 C ATOM 1341 O GLN A 87 1.704 -14.596 9.411 1.00 0.00 O ATOM 1342 CB GLN A 87 0.680 -17.754 9.530 1.00 0.00 C ATOM 1343 CG GLN A 87 0.171 -19.020 8.825 1.00 0.00 C ATOM 1344 CD GLN A 87 -0.163 -20.091 9.861 1.00 0.00 C ATOM 1345 OE1 GLN A 87 -1.309 -20.277 10.210 1.00 0.00 O ATOM 1346 NE2 GLN A 87 0.799 -20.811 10.367 1.00 0.00 N ATOM 0 H GLN A 87 0.869 -18.043 7.035 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.291 -15.987 8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.703 -17.904 9.876 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.073 -17.546 10.411 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.713 -18.786 8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.928 -19.392 8.135 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.763 -20.654 10.073 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.588 -21.532 11.057 1.00 0.00 H new ATOM 1355 N PRO A 88 2.979 -15.960 8.233 1.00 0.00 N ATOM 1356 CA PRO A 88 4.208 -15.121 8.390 1.00 0.00 C ATOM 1357 C PRO A 88 3.980 -13.687 7.898 1.00 0.00 C ATOM 1358 O PRO A 88 4.495 -12.737 8.451 1.00 0.00 O ATOM 1359 CB PRO A 88 5.259 -15.843 7.527 1.00 0.00 C ATOM 1360 CG PRO A 88 4.769 -17.252 7.428 1.00 0.00 C ATOM 1361 CD PRO A 88 3.246 -17.158 7.425 1.00 0.00 C ATOM 0 HA PRO A 88 4.512 -15.021 9.432 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.345 -15.384 6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.246 -15.799 7.987 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.134 -17.731 6.519 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.123 -17.850 8.268 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.851 -17.057 6.414 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.787 -18.046 7.859 1.00 0.00 H new ATOM 1369 N GLU A 89 3.208 -13.535 6.860 1.00 0.00 N ATOM 1370 CA GLU A 89 2.932 -12.178 6.316 1.00 0.00 C ATOM 1371 C GLU A 89 2.118 -11.370 7.329 1.00 0.00 C ATOM 1372 O GLU A 89 2.333 -10.191 7.514 1.00 0.00 O ATOM 1373 CB GLU A 89 2.134 -12.323 5.019 1.00 0.00 C ATOM 1374 CG GLU A 89 2.994 -13.010 3.954 1.00 0.00 C ATOM 1375 CD GLU A 89 4.154 -12.093 3.562 1.00 0.00 C ATOM 1376 OE1 GLU A 89 4.040 -10.900 3.783 1.00 0.00 O ATOM 1377 OE2 GLU A 89 5.135 -12.601 3.043 1.00 0.00 O ATOM 0 H GLU A 89 2.753 -14.299 6.361 1.00 0.00 H new ATOM 0 HA GLU A 89 3.871 -11.660 6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.230 -12.905 5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.816 -11.342 4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.378 -13.956 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.389 -13.243 3.078 1.00 0.00 H new ATOM 1384 N TRP A 90 1.183 -11.998 7.987 1.00 0.00 N ATOM 1385 CA TRP A 90 0.354 -11.271 8.991 1.00 0.00 C ATOM 1386 C TRP A 90 1.250 -10.709 10.098 1.00 0.00 C ATOM 1387 O TRP A 90 1.073 -9.595 10.543 1.00 0.00 O ATOM 1388 CB TRP A 90 -0.666 -12.256 9.598 1.00 0.00 C ATOM 1389 CG TRP A 90 -1.904 -12.299 8.757 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.245 -13.299 7.915 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -2.971 -11.316 8.680 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -3.453 -12.986 7.317 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -3.941 -11.772 7.760 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -3.186 -10.081 9.317 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -5.085 -11.027 7.478 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -4.337 -9.329 9.036 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -5.286 -9.802 8.118 1.00 0.00 C ATOM 0 H TRP A 90 0.956 -12.986 7.873 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.168 -10.445 8.509 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.227 -13.252 9.664 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -0.918 -11.951 10.614 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.669 -14.195 7.738 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -3.925 -13.578 6.634 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.461 -9.709 10.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.812 -11.395 6.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.493 -8.381 9.529 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -6.171 -9.220 7.906 1.00 0.00 H new ATOM 1408 N ASP A 91 2.203 -11.470 10.549 1.00 0.00 N ATOM 1409 CA ASP A 91 3.096 -10.975 11.631 1.00 0.00 C ATOM 1410 C ASP A 91 3.817 -9.707 11.167 1.00 0.00 C ATOM 1411 O ASP A 91 3.843 -8.708 11.858 1.00 0.00 O ATOM 1412 CB ASP A 91 4.123 -12.057 11.953 1.00 0.00 C ATOM 1413 CG ASP A 91 5.045 -11.575 13.072 1.00 0.00 C ATOM 1414 OD1 ASP A 91 4.916 -10.428 13.468 1.00 0.00 O ATOM 1415 OD2 ASP A 91 5.862 -12.363 13.518 1.00 0.00 O ATOM 0 H ASP A 91 2.403 -12.413 10.216 1.00 0.00 H new ATOM 0 HA ASP A 91 2.507 -10.744 12.519 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.617 -12.974 12.255 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.707 -12.294 11.064 1.00 0.00 H new ATOM 1420 N ARG A 92 4.403 -9.739 10.003 1.00 0.00 N ATOM 1421 CA ARG A 92 5.119 -8.539 9.492 1.00 0.00 C ATOM 1422 C ARG A 92 4.103 -7.442 9.163 1.00 0.00 C ATOM 1423 O ARG A 92 4.326 -6.277 9.418 1.00 0.00 O ATOM 1424 CB ARG A 92 5.887 -8.929 8.226 1.00 0.00 C ATOM 1425 CG ARG A 92 7.072 -9.852 8.581 1.00 0.00 C ATOM 1426 CD ARG A 92 8.313 -9.022 8.930 1.00 0.00 C ATOM 1427 NE ARG A 92 8.839 -8.397 7.685 1.00 0.00 N ATOM 1428 CZ ARG A 92 9.800 -7.519 7.746 1.00 0.00 C ATOM 1429 NH1 ARG A 92 10.290 -7.166 8.903 1.00 0.00 N ATOM 1430 NH2 ARG A 92 10.266 -6.988 6.650 1.00 0.00 N ATOM 0 H ARG A 92 4.416 -10.548 9.382 1.00 0.00 H new ATOM 0 HA ARG A 92 5.813 -8.167 10.246 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.219 -9.435 7.529 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.253 -8.033 7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.805 -10.489 9.424 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.292 -10.511 7.741 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.060 -8.253 9.660 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.075 -9.655 9.385 1.00 0.00 H new ATOM 0 HE ARG A 92 8.445 -8.657 6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.921 -7.577 9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.042 -6.479 8.950 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.878 -7.260 5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.018 -6.301 6.696 1.00 0.00 H new ATOM 1444 N PHE A 93 2.987 -7.811 8.600 1.00 0.00 N ATOM 1445 CA PHE A 93 1.952 -6.801 8.256 1.00 0.00 C ATOM 1446 C PHE A 93 1.473 -6.113 9.535 1.00 0.00 C ATOM 1447 O PHE A 93 1.334 -4.908 9.592 1.00 0.00 O ATOM 1448 CB PHE A 93 0.772 -7.498 7.583 1.00 0.00 C ATOM 1449 CG PHE A 93 -0.189 -6.460 7.063 1.00 0.00 C ATOM 1450 CD1 PHE A 93 -1.186 -5.948 7.899 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -0.081 -6.011 5.742 1.00 0.00 C ATOM 1452 CE1 PHE A 93 -2.077 -4.984 7.414 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -0.972 -5.048 5.256 1.00 0.00 C ATOM 1454 CZ PHE A 93 -1.971 -4.535 6.093 1.00 0.00 C ATOM 0 H PHE A 93 2.747 -8.774 8.363 1.00 0.00 H new ATOM 0 HA PHE A 93 2.374 -6.059 7.578 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.124 -8.126 6.765 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.268 -8.153 8.294 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.268 -6.296 8.918 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.690 -6.408 5.098 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.846 -4.587 8.059 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.890 -4.701 4.237 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.660 -3.792 5.719 1.00 0.00 H new ATOM 1464 N MET A 94 1.224 -6.874 10.563 1.00 0.00 N ATOM 1465 CA MET A 94 0.760 -6.275 11.842 1.00 0.00 C ATOM 1466 C MET A 94 1.851 -5.349 12.379 1.00 0.00 C ATOM 1467 O MET A 94 1.582 -4.268 12.861 1.00 0.00 O ATOM 1468 CB MET A 94 0.506 -7.397 12.849 1.00 0.00 C ATOM 1469 CG MET A 94 -0.809 -8.109 12.517 1.00 0.00 C ATOM 1470 SD MET A 94 -2.206 -6.995 12.833 1.00 0.00 S ATOM 1471 CE MET A 94 -2.098 -6.961 14.644 1.00 0.00 C ATOM 0 H MET A 94 1.323 -7.889 10.571 1.00 0.00 H new ATOM 0 HA MET A 94 -0.157 -5.708 11.682 1.00 0.00 H new ATOM 0 HB2 MET A 94 1.331 -8.110 12.828 1.00 0.00 H new ATOM 0 HB3 MET A 94 0.463 -6.988 13.859 1.00 0.00 H new ATOM 0 HG2 MET A 94 -0.810 -8.422 11.473 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.907 -9.011 13.121 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.079 -6.738 15.063 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.760 -7.932 15.007 1.00 0.00 H new ATOM 0 HE3 MET A 94 -1.389 -6.192 14.952 1.00 0.00 H new ATOM 1481 N ARG A 95 3.081 -5.765 12.290 1.00 0.00 N ATOM 1482 CA ARG A 95 4.193 -4.910 12.785 1.00 0.00 C ATOM 1483 C ARG A 95 4.263 -3.640 11.935 1.00 0.00 C ATOM 1484 O ARG A 95 4.383 -2.542 12.441 1.00 0.00 O ATOM 1485 CB ARG A 95 5.507 -5.681 12.654 1.00 0.00 C ATOM 1486 CG ARG A 95 6.634 -4.952 13.410 1.00 0.00 C ATOM 1487 CD ARG A 95 6.655 -5.390 14.881 1.00 0.00 C ATOM 1488 NE ARG A 95 7.693 -4.608 15.614 1.00 0.00 N ATOM 1489 CZ ARG A 95 8.929 -5.021 15.650 1.00 0.00 C ATOM 1490 NH1 ARG A 95 9.276 -6.111 15.018 1.00 0.00 N ATOM 1491 NH2 ARG A 95 9.823 -4.339 16.312 1.00 0.00 N ATOM 0 H ARG A 95 3.365 -6.662 11.895 1.00 0.00 H new ATOM 0 HA ARG A 95 4.024 -4.643 13.828 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.386 -6.689 13.052 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.773 -5.783 11.602 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.595 -5.171 12.944 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.487 -3.874 13.346 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.676 -5.231 15.334 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.869 -6.456 14.952 1.00 0.00 H new ATOM 0 HE ARG A 95 7.434 -3.744 16.090 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.579 -6.641 14.495 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.244 -6.432 15.048 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.554 -3.485 16.800 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.791 -4.660 16.342 1.00 0.00 H new ATOM 1505 N PHE A 96 4.179 -3.784 10.640 1.00 0.00 N ATOM 1506 CA PHE A 96 4.229 -2.599 9.743 1.00 0.00 C ATOM 1507 C PHE A 96 3.058 -1.672 10.055 1.00 0.00 C ATOM 1508 O PHE A 96 3.213 -0.475 10.170 1.00 0.00 O ATOM 1509 CB PHE A 96 4.131 -3.069 8.290 1.00 0.00 C ATOM 1510 CG PHE A 96 4.046 -1.873 7.371 1.00 0.00 C ATOM 1511 CD1 PHE A 96 5.167 -1.056 7.179 1.00 0.00 C ATOM 1512 CD2 PHE A 96 2.847 -1.584 6.707 1.00 0.00 C ATOM 1513 CE1 PHE A 96 5.087 0.050 6.323 1.00 0.00 C ATOM 1514 CE2 PHE A 96 2.768 -0.479 5.853 1.00 0.00 C ATOM 1515 CZ PHE A 96 3.887 0.338 5.660 1.00 0.00 C ATOM 0 H PHE A 96 4.077 -4.680 10.163 1.00 0.00 H new ATOM 0 HA PHE A 96 5.165 -2.062 9.896 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.000 -3.675 8.034 1.00 0.00 H new ATOM 0 HB3 PHE A 96 3.253 -3.702 8.161 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.092 -1.278 7.690 1.00 0.00 H new ATOM 0 HD2 PHE A 96 1.983 -2.215 6.855 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.951 0.681 6.174 1.00 0.00 H new ATOM 0 HE2 PHE A 96 1.843 -0.256 5.342 1.00 0.00 H new ATOM 0 HZ PHE A 96 3.826 1.191 5.000 1.00 0.00 H new ATOM 1525 N MET A 97 1.887 -2.222 10.194 1.00 0.00 N ATOM 1526 CA MET A 97 0.697 -1.386 10.498 1.00 0.00 C ATOM 1527 C MET A 97 0.886 -0.690 11.847 1.00 0.00 C ATOM 1528 O MET A 97 0.562 0.469 12.008 1.00 0.00 O ATOM 1529 CB MET A 97 -0.539 -2.285 10.554 1.00 0.00 C ATOM 1530 CG MET A 97 -1.794 -1.441 10.800 1.00 0.00 C ATOM 1531 SD MET A 97 -1.974 -1.142 12.575 1.00 0.00 S ATOM 1532 CE MET A 97 -3.542 -0.248 12.495 1.00 0.00 C ATOM 0 H MET A 97 1.702 -3.222 10.109 1.00 0.00 H new ATOM 0 HA MET A 97 0.571 -0.630 9.723 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.640 -2.836 9.619 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.426 -3.023 11.349 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.720 -0.494 10.266 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.674 -1.956 10.415 1.00 0.00 H new ATOM 0 HE1 MET A 97 -3.849 0.039 13.501 1.00 0.00 H new ATOM 0 HE2 MET A 97 -3.420 0.646 11.883 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.304 -0.889 12.052 1.00 0.00 H new ATOM 1542 N GLU A 98 1.407 -1.386 12.820 1.00 0.00 N ATOM 1543 CA GLU A 98 1.611 -0.756 14.152 1.00 0.00 C ATOM 1544 C GLU A 98 2.667 0.344 14.035 1.00 0.00 C ATOM 1545 O GLU A 98 2.494 1.439 14.530 1.00 0.00 O ATOM 1546 CB GLU A 98 2.090 -1.817 15.140 1.00 0.00 C ATOM 1547 CG GLU A 98 2.218 -1.200 16.535 1.00 0.00 C ATOM 1548 CD GLU A 98 2.641 -2.279 17.532 1.00 0.00 C ATOM 1549 OE1 GLU A 98 2.539 -3.446 17.190 1.00 0.00 O ATOM 1550 OE2 GLU A 98 3.058 -1.922 18.621 1.00 0.00 O ATOM 0 H GLU A 98 1.699 -2.361 12.749 1.00 0.00 H new ATOM 0 HA GLU A 98 0.674 -0.325 14.503 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.388 -2.650 15.163 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.051 -2.219 14.820 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.952 -0.394 16.522 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.268 -0.761 16.839 1.00 0.00 H new ATOM 1557 N ARG A 99 3.758 0.060 13.377 1.00 0.00 N ATOM 1558 CA ARG A 99 4.822 1.088 13.220 1.00 0.00 C ATOM 1559 C ARG A 99 4.287 2.237 12.363 1.00 0.00 C ATOM 1560 O ARG A 99 4.520 3.395 12.640 1.00 0.00 O ATOM 1561 CB ARG A 99 6.033 0.456 12.530 1.00 0.00 C ATOM 1562 CG ARG A 99 6.719 -0.520 13.488 1.00 0.00 C ATOM 1563 CD ARG A 99 7.873 -1.224 12.767 1.00 0.00 C ATOM 1564 NE ARG A 99 8.913 -0.220 12.399 1.00 0.00 N ATOM 1565 CZ ARG A 99 9.949 -0.576 11.686 1.00 0.00 C ATOM 1566 NH1 ARG A 99 10.076 -1.811 11.284 1.00 0.00 N ATOM 1567 NH2 ARG A 99 10.861 0.308 11.378 1.00 0.00 N ATOM 0 H ARG A 99 3.957 -0.841 12.942 1.00 0.00 H new ATOM 0 HA ARG A 99 5.117 1.469 14.198 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.718 -0.066 11.627 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.734 1.232 12.221 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.094 0.015 14.360 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.000 -1.255 13.850 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.304 -1.991 13.410 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.505 -1.727 11.873 1.00 0.00 H new ATOM 0 HE ARG A 99 8.815 0.748 12.705 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.366 -2.502 11.526 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.886 -2.086 10.728 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.763 1.273 11.694 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.671 0.033 10.822 1.00 0.00 H new ATOM 1581 N TYR A 100 3.569 1.917 11.322 1.00 0.00 N ATOM 1582 CA TYR A 100 3.010 2.976 10.440 1.00 0.00 C ATOM 1583 C TYR A 100 2.037 3.850 11.236 1.00 0.00 C ATOM 1584 O TYR A 100 2.100 5.061 11.197 1.00 0.00 O ATOM 1585 CB TYR A 100 2.260 2.314 9.285 1.00 0.00 C ATOM 1586 CG TYR A 100 1.613 3.375 8.431 1.00 0.00 C ATOM 1587 CD1 TYR A 100 2.390 4.129 7.545 1.00 0.00 C ATOM 1588 CD2 TYR A 100 0.236 3.612 8.531 1.00 0.00 C ATOM 1589 CE1 TYR A 100 1.792 5.119 6.756 1.00 0.00 C ATOM 1590 CE2 TYR A 100 -0.363 4.602 7.743 1.00 0.00 C ATOM 1591 CZ TYR A 100 0.415 5.356 6.856 1.00 0.00 C ATOM 1592 OH TYR A 100 -0.174 6.332 6.079 1.00 0.00 O ATOM 0 H TYR A 100 3.345 0.961 11.044 1.00 0.00 H new ATOM 0 HA TYR A 100 3.820 3.596 10.055 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.948 1.719 8.685 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.503 1.632 9.672 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.452 3.947 7.470 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.364 3.031 9.216 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.392 5.700 6.071 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.425 4.784 7.819 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.937 5.950 5.596 1.00 0.00 H new ATOM 1602 N GLY A 101 1.137 3.239 11.955 1.00 0.00 N ATOM 1603 CA GLY A 101 0.156 4.025 12.753 1.00 0.00 C ATOM 1604 C GLY A 101 0.877 4.749 13.892 1.00 0.00 C ATOM 1605 O GLY A 101 0.536 5.856 14.248 1.00 0.00 O ATOM 0 H GLY A 101 1.039 2.226 12.024 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.351 4.748 12.114 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.611 3.364 13.157 1.00 0.00 H new ATOM 1609 N ALA A 102 1.872 4.129 14.469 1.00 0.00 N ATOM 1610 CA ALA A 102 2.611 4.784 15.585 1.00 0.00 C ATOM 1611 C ALA A 102 3.302 6.048 15.070 1.00 0.00 C ATOM 1612 O ALA A 102 3.286 7.080 15.708 1.00 0.00 O ATOM 1613 CB ALA A 102 3.660 3.814 16.124 1.00 0.00 C ATOM 0 H ALA A 102 2.204 3.198 14.215 1.00 0.00 H new ATOM 0 HA ALA A 102 1.914 5.053 16.379 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.206 4.285 16.941 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.168 2.912 16.489 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.356 3.551 15.327 1.00 0.00 H new ATOM 1619 N GLU A 103 3.908 5.976 13.918 1.00 0.00 N ATOM 1620 CA GLU A 103 4.596 7.172 13.360 1.00 0.00 C ATOM 1621 C GLU A 103 3.551 8.186 12.894 1.00 0.00 C ATOM 1622 O GLU A 103 3.681 9.374 13.109 1.00 0.00 O ATOM 1623 CB GLU A 103 5.460 6.744 12.173 1.00 0.00 C ATOM 1624 CG GLU A 103 6.616 5.874 12.672 1.00 0.00 C ATOM 1625 CD GLU A 103 7.425 5.372 11.475 1.00 0.00 C ATOM 1626 OE1 GLU A 103 7.060 5.702 10.360 1.00 0.00 O ATOM 1627 OE2 GLU A 103 8.398 4.669 11.694 1.00 0.00 O ATOM 0 H GLU A 103 3.956 5.138 13.338 1.00 0.00 H new ATOM 0 HA GLU A 103 5.225 7.627 14.125 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.858 6.190 11.452 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.848 7.622 11.656 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.255 6.448 13.342 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.230 5.030 13.244 1.00 0.00 H new ATOM 1634 N ASN A 104 2.510 7.721 12.254 1.00 0.00 N ATOM 1635 CA ASN A 104 1.446 8.642 11.764 1.00 0.00 C ATOM 1636 C ASN A 104 0.328 8.730 12.805 1.00 0.00 C ATOM 1637 O ASN A 104 0.158 9.734 13.465 1.00 0.00 O ATOM 1638 CB ASN A 104 0.872 8.093 10.458 1.00 0.00 C ATOM 1639 CG ASN A 104 1.870 8.314 9.319 1.00 0.00 C ATOM 1640 OD1 ASN A 104 2.771 9.121 9.430 1.00 0.00 O ATOM 1641 ND2 ASN A 104 1.745 7.623 8.217 1.00 0.00 N ATOM 0 H ASN A 104 2.352 6.734 12.049 1.00 0.00 H new ATOM 0 HA ASN A 104 1.868 9.633 11.597 1.00 0.00 H new ATOM 0 HB2 ASN A 104 0.656 7.030 10.564 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -0.071 8.588 10.228 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.404 7.761 7.451 1.00 0.00 H new ATOM 0 HD22 ASN A 104 0.989 6.945 8.123 1.00 0.00 H new