USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 695 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 19 SER OG : rot 150:sc= -0.465 USER MOD Set 1.2: A 103 GLN :FLIP amide:sc= -0.788 F(o=-2.4,f=-1.3) USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 THR OG1 : rot 60:sc= -0.79 USER MOD Set 3.1: A 27 CYS SG : rot -99:sc= 0.465 USER MOD Set 3.2: A 66 CYS SG : rot 167:sc= 1.03 USER MOD Set 4.1: A 23 ASN : amide:sc= -1.15 K(o=-3.4,f=-6!) USER MOD Set 4.2: A 28 THR OG1 : rot -129:sc= -2.27! USER MOD Set 5.1: A 5 ASN :FLIP amide:sc= -2.79! F(o=-3,f=-2!) USER MOD Set 5.2: A 78 SER OG : rot -55:sc= 0.828 USER MOD Single : A 1 LEU N :NH3+ -152:sc= -0.0266 (180deg=-0.899) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 177:sc= -1.22 (180deg=-1.25) USER MOD Single : A 10 LYS NZ :NH3+ -144:sc= -3.73! (180deg=-7.5!) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 0.287 (180deg=0.0284) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -52:sc= -0.782! USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 36 GLN : amide:sc= -8.08! C(o=-8.1!,f=-8.9!) USER MOD Single : A 37 TYR OH : rot -96:sc= 0.0728 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0.362 (180deg=0.31) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.589) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 64 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.036) USER MOD Single : A 67 TYR OH : rot -62:sc= 1.27 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.204 K(o=0.2,f=-1.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 176:sc= -0.591 (180deg=-0.628) USER MOD Single : A 104 TYR OH : rot -120:sc= 1.37 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.210 -10.141 -14.136 1.00 0.00 N ATOM 2 CA LEU A 1 -1.003 -9.161 -13.039 1.00 0.00 C ATOM 3 C LEU A 1 -0.665 -7.781 -13.591 1.00 0.00 C ATOM 4 O LEU A 1 0.441 -7.551 -14.081 1.00 0.00 O ATOM 5 CB LEU A 1 0.131 -9.661 -12.144 1.00 0.00 C ATOM 6 CG LEU A 1 -0.267 -10.737 -11.131 1.00 0.00 C ATOM 7 CD1 LEU A 1 -0.023 -12.123 -11.704 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.498 -10.552 -9.829 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.865 -10.884 -13.819 1.00 0.00 H new ATOM 0 H2 LEU A 1 -1.611 -9.656 -14.964 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.299 -10.571 -14.394 1.00 0.00 H new ATOM 0 HA LEU A 1 -1.924 -9.070 -12.463 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.925 -10.056 -12.777 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.548 -8.811 -11.603 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.332 -10.636 -10.920 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.311 -12.876 -10.970 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.616 -12.252 -12.609 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.034 -12.237 -11.944 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.203 -11.326 -9.120 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.568 -10.626 -10.022 1.00 0.00 H new ATOM 0 HD23 LEU A 1 0.272 -9.571 -9.410 1.00 0.00 H new ATOM 22 N GLU A 2 -1.623 -6.861 -13.508 1.00 0.00 N ATOM 23 CA GLU A 2 -1.418 -5.503 -13.999 1.00 0.00 C ATOM 24 C GLU A 2 -0.605 -4.686 -13.004 1.00 0.00 C ATOM 25 O GLU A 2 -0.584 -4.985 -11.811 1.00 0.00 O ATOM 26 CB GLU A 2 -2.763 -4.815 -14.248 1.00 0.00 C ATOM 27 CG GLU A 2 -2.803 -4.005 -15.535 1.00 0.00 C ATOM 28 CD GLU A 2 -3.299 -4.811 -16.717 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.530 -4.881 -16.913 1.00 0.00 O ATOM 30 OE2 GLU A 2 -2.458 -5.374 -17.448 1.00 0.00 O ATOM 0 H GLU A 2 -2.545 -7.031 -13.107 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.868 -5.565 -14.938 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.548 -5.571 -14.279 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.987 -4.158 -13.408 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.449 -3.139 -15.394 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.804 -3.626 -15.752 1.00 0.00 H new ATOM 37 N LYS A 3 0.054 -3.646 -13.501 1.00 0.00 N ATOM 38 CA LYS A 3 0.855 -2.779 -12.648 1.00 0.00 C ATOM 39 C LYS A 3 0.908 -1.364 -13.209 1.00 0.00 C ATOM 40 O LYS A 3 1.218 -1.158 -14.383 1.00 0.00 O ATOM 41 CB LYS A 3 2.278 -3.321 -12.497 1.00 0.00 C ATOM 42 CG LYS A 3 2.342 -4.815 -12.228 1.00 0.00 C ATOM 43 CD LYS A 3 3.781 -5.291 -12.105 1.00 0.00 C ATOM 44 CE LYS A 3 3.916 -6.409 -11.085 1.00 0.00 C ATOM 45 NZ LYS A 3 4.735 -7.540 -11.607 1.00 0.00 N ATOM 0 H LYS A 3 0.049 -3.384 -14.487 1.00 0.00 H new ATOM 0 HA LYS A 3 0.380 -2.756 -11.667 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.838 -3.101 -13.406 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.773 -2.793 -11.682 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.800 -5.045 -11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.846 -5.354 -13.035 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.134 -5.639 -13.076 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.418 -4.455 -11.816 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.374 -6.018 -10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.926 -6.773 -10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.804 -8.282 -10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.285 -7.930 -12.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.688 -7.198 -11.844 1.00 0.00 H new ATOM 59 N PHE A 4 0.614 -0.394 -12.355 1.00 0.00 N ATOM 60 CA PHE A 4 0.639 1.008 -12.748 1.00 0.00 C ATOM 61 C PHE A 4 1.289 1.837 -11.649 1.00 0.00 C ATOM 62 O PHE A 4 1.542 1.335 -10.556 1.00 0.00 O ATOM 63 CB PHE A 4 -0.775 1.513 -13.048 1.00 0.00 C ATOM 64 CG PHE A 4 -1.636 1.693 -11.827 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.261 0.608 -11.234 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.822 2.950 -11.277 1.00 0.00 C ATOM 67 CE1 PHE A 4 -3.053 0.775 -10.116 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.613 3.121 -10.162 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.230 2.033 -9.579 1.00 0.00 C ATOM 0 H PHE A 4 0.354 -0.553 -11.382 1.00 0.00 H new ATOM 0 HA PHE A 4 1.228 1.109 -13.660 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.705 2.465 -13.573 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.264 0.811 -13.724 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.127 -0.379 -11.651 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.342 3.806 -11.727 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.534 -0.079 -9.662 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.750 4.107 -9.744 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.850 2.166 -8.705 1.00 0.00 H new ATOM 79 N ASN A 5 1.569 3.101 -11.939 1.00 0.00 N ATOM 80 CA ASN A 5 2.205 3.972 -10.958 1.00 0.00 C ATOM 81 C ASN A 5 1.229 5.017 -10.430 1.00 0.00 C ATOM 82 O ASN A 5 0.487 5.636 -11.193 1.00 0.00 O ATOM 83 CB ASN A 5 3.426 4.661 -11.576 1.00 0.00 C ATOM 84 CG ASN A 5 4.706 4.350 -10.825 1.00 0.00 C ATOM 85 OD1 ASN A 5 4.647 4.419 -9.500 1.00 0.00 O flip ATOM 86 ND2 ASN A 5 5.737 4.051 -11.428 1.00 0.00 N flip ATOM 0 H ASN A 5 1.368 3.543 -12.836 1.00 0.00 H new ATOM 0 HA ASN A 5 2.526 3.354 -10.120 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.531 4.346 -12.614 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.266 5.739 -11.585 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.738 4.010 -12.447 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.590 3.845 -10.908 1.00 0.00 H new ATOM 93 N VAL A 6 1.250 5.212 -9.117 1.00 0.00 N ATOM 94 CA VAL A 6 0.382 6.186 -8.471 1.00 0.00 C ATOM 95 C VAL A 6 1.211 7.282 -7.822 1.00 0.00 C ATOM 96 O VAL A 6 1.847 7.061 -6.795 1.00 0.00 O ATOM 97 CB VAL A 6 -0.497 5.527 -7.391 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.592 6.477 -6.932 1.00 0.00 C ATOM 99 CG2 VAL A 6 -1.080 4.222 -7.895 1.00 0.00 C ATOM 0 H VAL A 6 1.862 4.705 -8.477 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.262 6.609 -9.242 1.00 0.00 H new ATOM 0 HB VAL A 6 0.132 5.302 -6.530 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.200 5.990 -6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.141 7.378 -6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.221 6.745 -7.781 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.697 3.774 -7.116 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.691 4.413 -8.777 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.272 3.539 -8.155 1.00 0.00 H new ATOM 109 N ASP A 7 1.204 8.466 -8.419 1.00 0.00 N ATOM 110 CA ASP A 7 1.970 9.579 -7.880 1.00 0.00 C ATOM 111 C ASP A 7 1.051 10.651 -7.312 1.00 0.00 C ATOM 112 O ASP A 7 0.149 11.134 -7.998 1.00 0.00 O ATOM 113 CB ASP A 7 2.859 10.183 -8.967 1.00 0.00 C ATOM 114 CG ASP A 7 2.088 10.505 -10.233 1.00 0.00 C ATOM 115 OD1 ASP A 7 1.295 11.469 -10.216 1.00 0.00 O ATOM 116 OD2 ASP A 7 2.278 9.792 -11.240 1.00 0.00 O ATOM 0 H ASP A 7 0.681 8.679 -9.269 1.00 0.00 H new ATOM 0 HA ASP A 7 2.595 9.198 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.325 11.092 -8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.664 9.487 -9.202 1.00 0.00 H new ATOM 121 N LEU A 8 1.293 11.037 -6.063 1.00 0.00 N ATOM 122 CA LEU A 8 0.490 12.073 -5.428 1.00 0.00 C ATOM 123 C LEU A 8 1.326 12.870 -4.442 1.00 0.00 C ATOM 124 O LEU A 8 2.344 12.394 -3.948 1.00 0.00 O ATOM 125 CB LEU A 8 -0.765 11.492 -4.743 1.00 0.00 C ATOM 126 CG LEU A 8 -0.573 10.298 -3.789 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.234 9.185 -4.439 1.00 0.00 C ATOM 128 CD2 LEU A 8 0.067 10.737 -2.477 1.00 0.00 C ATOM 0 H LEU A 8 2.032 10.651 -5.476 1.00 0.00 H new ATOM 0 HA LEU A 8 0.145 12.746 -6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.243 12.295 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.463 11.189 -5.523 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.563 9.901 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.349 8.360 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.285 8.832 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.217 9.564 -4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.190 9.872 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.042 11.181 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.572 11.472 -1.988 1.00 0.00 H new ATOM 140 N MET A 9 0.903 14.093 -4.166 1.00 0.00 N ATOM 141 CA MET A 9 1.630 14.949 -3.245 1.00 0.00 C ATOM 142 C MET A 9 1.500 14.434 -1.821 1.00 0.00 C ATOM 143 O MET A 9 0.414 14.433 -1.244 1.00 0.00 O ATOM 144 CB MET A 9 1.120 16.385 -3.343 1.00 0.00 C ATOM 145 CG MET A 9 1.979 17.265 -4.236 1.00 0.00 C ATOM 146 SD MET A 9 2.926 18.488 -3.311 1.00 0.00 S ATOM 147 CE MET A 9 4.564 17.762 -3.378 1.00 0.00 C ATOM 0 H MET A 9 0.064 14.513 -4.565 1.00 0.00 H new ATOM 0 HA MET A 9 2.685 14.935 -3.519 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.099 16.376 -3.726 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.082 16.819 -2.344 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.664 16.637 -4.806 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.341 17.776 -4.957 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.278 18.429 -2.894 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.558 16.802 -2.863 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.854 17.614 -4.418 1.00 0.00 H new ATOM 157 N LYS A 10 2.619 13.985 -1.264 1.00 0.00 N ATOM 158 CA LYS A 10 2.628 13.452 0.087 1.00 0.00 C ATOM 159 C LYS A 10 3.047 14.497 1.105 1.00 0.00 C ATOM 160 O LYS A 10 3.815 15.412 0.807 1.00 0.00 O ATOM 161 CB LYS A 10 3.560 12.245 0.179 1.00 0.00 C ATOM 162 CG LYS A 10 2.831 10.969 0.553 1.00 0.00 C ATOM 163 CD LYS A 10 2.572 10.908 2.051 1.00 0.00 C ATOM 164 CE LYS A 10 2.854 9.530 2.625 1.00 0.00 C ATOM 165 NZ LYS A 10 3.805 9.592 3.771 1.00 0.00 N ATOM 0 H LYS A 10 3.527 13.981 -1.728 1.00 0.00 H new ATOM 0 HA LYS A 10 1.608 13.144 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.061 12.105 -0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.335 12.446 0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.885 10.915 0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.422 10.105 0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.196 11.645 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.535 11.178 2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.919 9.074 2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.265 8.889 1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.425 8.757 3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.382 10.454 3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.272 9.608 4.664 1.00 0.00 H new ATOM 179 N LYS A 11 2.542 14.334 2.317 1.00 0.00 N ATOM 180 CA LYS A 11 2.862 15.239 3.412 1.00 0.00 C ATOM 181 C LYS A 11 3.101 14.451 4.695 1.00 0.00 C ATOM 182 O LYS A 11 2.305 14.507 5.633 1.00 0.00 O ATOM 183 CB LYS A 11 1.732 16.250 3.617 1.00 0.00 C ATOM 184 CG LYS A 11 1.223 16.863 2.323 1.00 0.00 C ATOM 185 CD LYS A 11 2.244 17.813 1.717 1.00 0.00 C ATOM 186 CE LYS A 11 1.913 18.134 0.269 1.00 0.00 C ATOM 187 NZ LYS A 11 2.251 19.542 -0.080 1.00 0.00 N ATOM 0 H LYS A 11 1.905 13.579 2.570 1.00 0.00 H new ATOM 0 HA LYS A 11 3.773 15.782 3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.904 15.758 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.083 17.046 4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.993 16.071 1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.294 17.400 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.275 18.735 2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.237 17.367 1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.460 17.456 -0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.851 17.961 0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.503 19.599 -1.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.430 20.153 0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.057 19.859 0.496 1.00 0.00 H new ATOM 201 N ALA A 12 4.205 13.710 4.723 1.00 0.00 N ATOM 202 CA ALA A 12 4.559 12.899 5.882 1.00 0.00 C ATOM 203 C ALA A 12 3.415 11.964 6.276 1.00 0.00 C ATOM 204 O ALA A 12 3.320 11.539 7.427 1.00 0.00 O ATOM 205 CB ALA A 12 4.941 13.792 7.053 1.00 0.00 C ATOM 0 H ALA A 12 4.872 13.655 3.953 1.00 0.00 H new ATOM 0 HA ALA A 12 5.417 12.283 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.203 13.174 7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.796 14.409 6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.098 14.433 7.311 1.00 0.00 H new ATOM 211 N GLY A 13 2.550 11.650 5.314 1.00 0.00 N ATOM 212 CA GLY A 13 1.429 10.769 5.584 1.00 0.00 C ATOM 213 C GLY A 13 0.206 11.518 6.074 1.00 0.00 C ATOM 214 O GLY A 13 0.219 12.095 7.162 1.00 0.00 O ATOM 0 H GLY A 13 2.606 11.990 4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.176 10.221 4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.723 10.031 6.331 1.00 0.00 H new ATOM 218 N LYS A 14 -0.854 11.512 5.272 1.00 0.00 N ATOM 219 CA LYS A 14 -2.086 12.199 5.636 1.00 0.00 C ATOM 220 C LYS A 14 -3.284 11.649 4.851 1.00 0.00 C ATOM 221 O LYS A 14 -3.861 10.625 5.218 1.00 0.00 O ATOM 222 CB LYS A 14 -1.943 13.707 5.401 1.00 0.00 C ATOM 223 CG LYS A 14 -1.141 14.062 4.158 1.00 0.00 C ATOM 224 CD LYS A 14 -1.522 15.435 3.622 1.00 0.00 C ATOM 225 CE LYS A 14 -1.350 16.520 4.675 1.00 0.00 C ATOM 226 NZ LYS A 14 -2.566 17.369 4.804 1.00 0.00 N ATOM 0 H LYS A 14 -0.884 11.040 4.368 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.269 12.021 6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.936 14.148 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.465 14.157 6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.077 14.044 4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.310 13.310 3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.906 15.670 2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.558 15.418 3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.126 16.059 5.637 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.497 17.146 4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.407 18.095 5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.766 17.829 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.376 16.776 5.078 1.00 0.00 H new ATOM 240 N GLU A 15 -3.649 12.341 3.776 1.00 0.00 N ATOM 241 CA GLU A 15 -4.766 11.953 2.931 1.00 0.00 C ATOM 242 C GLU A 15 -4.478 10.672 2.146 1.00 0.00 C ATOM 243 O GLU A 15 -5.353 10.163 1.452 1.00 0.00 O ATOM 244 CB GLU A 15 -5.113 13.092 1.976 1.00 0.00 C ATOM 245 CG GLU A 15 -6.070 14.117 2.566 1.00 0.00 C ATOM 246 CD GLU A 15 -7.485 13.589 2.710 1.00 0.00 C ATOM 247 OE1 GLU A 15 -7.660 12.513 3.317 1.00 0.00 O ATOM 248 OE2 GLU A 15 -8.419 14.258 2.218 1.00 0.00 O ATOM 0 H GLU A 15 -3.174 13.190 3.468 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.617 11.748 3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.194 13.596 1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.555 12.674 1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.703 14.429 3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.081 15.004 1.932 1.00 0.00 H new ATOM 255 N LEU A 16 -3.250 10.158 2.233 1.00 0.00 N ATOM 256 CA LEU A 16 -2.883 8.946 1.498 1.00 0.00 C ATOM 257 C LEU A 16 -3.975 7.884 1.637 1.00 0.00 C ATOM 258 O LEU A 16 -4.248 7.133 0.702 1.00 0.00 O ATOM 259 CB LEU A 16 -1.550 8.402 2.021 1.00 0.00 C ATOM 260 CG LEU A 16 -0.487 8.157 0.952 1.00 0.00 C ATOM 261 CD1 LEU A 16 0.038 9.473 0.413 1.00 0.00 C ATOM 262 CD2 LEU A 16 0.650 7.314 1.513 1.00 0.00 C ATOM 0 H LEU A 16 -2.500 10.556 2.798 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.776 9.196 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.151 9.103 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.738 7.465 2.546 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.945 7.609 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.794 9.279 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.783 10.039 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.480 10.049 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.398 7.150 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.108 7.834 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.259 6.354 1.850 1.00 0.00 H new ATOM 274 N GLY A 17 -4.612 7.868 2.804 1.00 0.00 N ATOM 275 CA GLY A 17 -5.704 6.947 3.086 1.00 0.00 C ATOM 276 C GLY A 17 -5.684 5.649 2.292 1.00 0.00 C ATOM 277 O GLY A 17 -6.622 5.358 1.552 1.00 0.00 O ATOM 0 H GLY A 17 -4.385 8.492 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.686 6.704 4.148 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.647 7.458 2.891 1.00 0.00 H new ATOM 281 N LEU A 18 -4.639 4.849 2.476 1.00 0.00 N ATOM 282 CA LEU A 18 -4.544 3.559 1.798 1.00 0.00 C ATOM 283 C LEU A 18 -3.986 2.504 2.747 1.00 0.00 C ATOM 284 O LEU A 18 -2.774 2.329 2.858 1.00 0.00 O ATOM 285 CB LEU A 18 -3.684 3.656 0.534 1.00 0.00 C ATOM 286 CG LEU A 18 -2.244 4.128 0.751 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.257 3.202 0.050 1.00 0.00 C ATOM 288 CD2 LEU A 18 -2.076 5.552 0.252 1.00 0.00 C ATOM 0 H LEU A 18 -3.850 5.068 3.085 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.548 3.262 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.659 2.676 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.170 4.338 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.034 4.103 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.241 3.558 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.359 2.193 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.465 3.192 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.047 5.875 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.308 5.594 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.752 6.211 0.797 1.00 0.00 H new ATOM 300 N SER A 19 -4.887 1.809 3.435 1.00 0.00 N ATOM 301 CA SER A 19 -4.499 0.775 4.389 1.00 0.00 C ATOM 302 C SER A 19 -3.741 -0.352 3.696 1.00 0.00 C ATOM 303 O SER A 19 -4.297 -1.074 2.867 1.00 0.00 O ATOM 304 CB SER A 19 -5.737 0.219 5.096 1.00 0.00 C ATOM 305 OG SER A 19 -5.522 -1.108 5.549 1.00 0.00 O ATOM 0 H SER A 19 -5.894 1.944 3.349 1.00 0.00 H new ATOM 0 HA SER A 19 -3.838 1.226 5.129 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.992 0.857 5.942 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.587 0.239 4.414 1.00 0.00 H new ATOM 0 HG SER A 19 -6.057 -1.270 6.354 1.00 0.00 H new ATOM 311 N LEU A 20 -2.464 -0.493 4.046 1.00 0.00 N ATOM 312 CA LEU A 20 -1.615 -1.525 3.464 1.00 0.00 C ATOM 313 C LEU A 20 -1.601 -2.785 4.326 1.00 0.00 C ATOM 314 O LEU A 20 -1.948 -2.748 5.506 1.00 0.00 O ATOM 315 CB LEU A 20 -0.186 -0.998 3.300 1.00 0.00 C ATOM 316 CG LEU A 20 0.008 0.115 2.261 1.00 0.00 C ATOM 317 CD1 LEU A 20 -1.149 0.158 1.270 1.00 0.00 C ATOM 318 CD2 LEU A 20 0.172 1.464 2.952 1.00 0.00 C ATOM 0 H LEU A 20 -1.995 0.098 4.733 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.025 -1.783 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.156 -0.629 4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.459 -1.834 3.032 1.00 0.00 H new ATOM 0 HG LEU A 20 0.917 -0.105 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.980 0.957 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.215 -0.796 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.080 0.344 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.309 2.243 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.718 1.681 3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.043 1.434 3.607 1.00 0.00 H new ATOM 330 N SER A 21 -1.186 -3.895 3.725 1.00 0.00 N ATOM 331 CA SER A 21 -1.111 -5.169 4.429 1.00 0.00 C ATOM 332 C SER A 21 0.193 -5.891 4.095 1.00 0.00 C ATOM 333 O SER A 21 0.880 -5.533 3.140 1.00 0.00 O ATOM 334 CB SER A 21 -2.307 -6.052 4.066 1.00 0.00 C ATOM 335 OG SER A 21 -2.102 -6.700 2.825 1.00 0.00 O ATOM 0 H SER A 21 -0.896 -3.937 2.748 1.00 0.00 H new ATOM 0 HA SER A 21 -1.135 -4.969 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.464 -6.796 4.847 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.211 -5.444 4.018 1.00 0.00 H new ATOM 0 HG SER A 21 -1.854 -6.037 2.147 1.00 0.00 H new ATOM 341 N PRO A 22 0.558 -6.912 4.888 1.00 0.00 N ATOM 342 CA PRO A 22 1.793 -7.676 4.681 1.00 0.00 C ATOM 343 C PRO A 22 1.740 -8.563 3.440 1.00 0.00 C ATOM 344 O PRO A 22 0.874 -9.429 3.320 1.00 0.00 O ATOM 345 CB PRO A 22 1.909 -8.541 5.948 1.00 0.00 C ATOM 346 CG PRO A 22 0.890 -8.005 6.899 1.00 0.00 C ATOM 347 CD PRO A 22 -0.189 -7.397 6.053 1.00 0.00 C ATOM 0 HA PRO A 22 2.644 -7.015 4.520 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.721 -9.591 5.724 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.911 -8.480 6.373 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.490 -8.799 7.530 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.330 -7.261 7.563 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.947 -8.129 5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.704 -6.588 6.571 1.00 0.00 H new ATOM 355 N ASN A 23 2.682 -8.350 2.524 1.00 0.00 N ATOM 356 CA ASN A 23 2.754 -9.139 1.299 1.00 0.00 C ATOM 357 C ASN A 23 4.198 -9.504 0.973 1.00 0.00 C ATOM 358 O ASN A 23 5.136 -8.900 1.492 1.00 0.00 O ATOM 359 CB ASN A 23 2.128 -8.383 0.124 1.00 0.00 C ATOM 360 CG ASN A 23 1.021 -9.176 -0.536 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.958 -9.281 -1.761 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.138 -9.742 0.278 1.00 0.00 N ATOM 0 H ASN A 23 3.406 -7.637 2.608 1.00 0.00 H new ATOM 0 HA ASN A 23 2.190 -10.057 1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.731 -7.431 0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.899 -8.155 -0.612 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.631 -10.290 -0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.229 -9.629 1.288 1.00 0.00 H new ATOM 369 N GLU A 24 4.368 -10.501 0.111 1.00 0.00 N ATOM 370 CA GLU A 24 5.695 -10.956 -0.288 1.00 0.00 C ATOM 371 C GLU A 24 6.292 -10.042 -1.354 1.00 0.00 C ATOM 372 O GLU A 24 7.497 -9.792 -1.369 1.00 0.00 O ATOM 373 CB GLU A 24 5.622 -12.386 -0.822 1.00 0.00 C ATOM 374 CG GLU A 24 4.780 -12.523 -2.080 1.00 0.00 C ATOM 375 CD GLU A 24 4.072 -13.861 -2.166 1.00 0.00 C ATOM 376 OE1 GLU A 24 3.689 -14.398 -1.106 1.00 0.00 O ATOM 377 OE2 GLU A 24 3.900 -14.370 -3.294 1.00 0.00 O ATOM 0 H GLU A 24 3.600 -11.011 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 24 6.338 -10.928 0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.632 -12.739 -1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.211 -13.034 -0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.041 -11.723 -2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.418 -12.397 -2.955 1.00 0.00 H new ATOM 384 N ILE A 25 5.439 -9.559 -2.249 1.00 0.00 N ATOM 385 CA ILE A 25 5.879 -8.684 -3.330 1.00 0.00 C ATOM 386 C ILE A 25 5.714 -7.208 -2.975 1.00 0.00 C ATOM 387 O ILE A 25 6.165 -6.332 -3.714 1.00 0.00 O ATOM 388 CB ILE A 25 5.107 -8.977 -4.628 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.609 -8.713 -4.425 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.362 -10.414 -5.066 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.712 -9.428 -5.414 1.00 0.00 C ATOM 0 H ILE A 25 4.439 -9.758 -2.248 1.00 0.00 H new ATOM 0 HA ILE A 25 6.939 -8.889 -3.481 1.00 0.00 H new ATOM 0 HB ILE A 25 5.459 -8.312 -5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.332 -9.016 -3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.428 -7.641 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.813 -10.617 -5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.428 -10.557 -5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.027 -11.097 -4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.671 -9.188 -5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.958 -9.107 -6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.861 -10.504 -5.328 1.00 0.00 H new ATOM 403 N GLY A 26 5.070 -6.935 -1.847 1.00 0.00 N ATOM 404 CA GLY A 26 4.868 -5.563 -1.428 1.00 0.00 C ATOM 405 C GLY A 26 3.874 -5.448 -0.295 1.00 0.00 C ATOM 406 O GLY A 26 4.034 -6.086 0.746 1.00 0.00 O ATOM 0 H GLY A 26 4.685 -7.638 -1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.822 -5.137 -1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.518 -4.974 -2.276 1.00 0.00 H new ATOM 410 N CYS A 27 2.846 -4.634 -0.492 1.00 0.00 N ATOM 411 CA CYS A 27 1.828 -4.442 0.532 1.00 0.00 C ATOM 412 C CYS A 27 0.434 -4.350 -0.076 1.00 0.00 C ATOM 413 O CYS A 27 0.070 -3.336 -0.671 1.00 0.00 O ATOM 414 CB CYS A 27 2.115 -3.178 1.353 1.00 0.00 C ATOM 415 SG CYS A 27 3.139 -1.944 0.510 1.00 0.00 S ATOM 0 H CYS A 27 2.695 -4.098 -1.347 1.00 0.00 H new ATOM 0 HA CYS A 27 1.862 -5.312 1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.166 -2.717 1.628 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.609 -3.468 2.280 1.00 0.00 H new ATOM 0 HG CYS A 27 4.371 -2.056 0.910 1.00 0.00 H new ATOM 421 N THR A 28 -0.352 -5.410 0.091 1.00 0.00 N ATOM 422 CA THR A 28 -1.713 -5.438 -0.428 1.00 0.00 C ATOM 423 C THR A 28 -2.595 -4.476 0.357 1.00 0.00 C ATOM 424 O THR A 28 -2.639 -4.523 1.584 1.00 0.00 O ATOM 425 CB THR A 28 -2.296 -6.852 -0.341 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.535 -7.763 -1.113 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.732 -6.936 -0.811 1.00 0.00 C ATOM 0 H THR A 28 -0.069 -6.259 0.581 1.00 0.00 H new ATOM 0 HA THR A 28 -1.684 -5.132 -1.474 1.00 0.00 H new ATOM 0 HB THR A 28 -2.260 -7.112 0.717 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.131 -8.270 -1.703 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.084 -7.964 -0.723 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.355 -6.286 -0.197 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.793 -6.619 -1.852 1.00 0.00 H new ATOM 435 N ILE A 29 -3.301 -3.606 -0.356 1.00 0.00 N ATOM 436 CA ILE A 29 -4.180 -2.648 0.290 1.00 0.00 C ATOM 437 C ILE A 29 -5.314 -3.367 1.009 1.00 0.00 C ATOM 438 O ILE A 29 -6.254 -3.852 0.379 1.00 0.00 O ATOM 439 CB ILE A 29 -4.773 -1.649 -0.725 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.653 -0.969 -1.517 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.635 -0.615 -0.015 1.00 0.00 C ATOM 442 CD1 ILE A 29 -4.138 -0.257 -2.760 1.00 0.00 C ATOM 0 H ILE A 29 -3.280 -3.547 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.581 -2.094 1.012 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.405 -2.197 -1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.147 -0.251 -0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.914 -1.718 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.045 0.081 -0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.451 -1.117 0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.027 -0.068 0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.291 0.201 -3.271 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.619 -0.974 -3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.854 0.516 -2.481 1.00 0.00 H new ATOM 454 N ALA A 30 -5.220 -3.432 2.332 1.00 0.00 N ATOM 455 CA ALA A 30 -6.238 -4.094 3.135 1.00 0.00 C ATOM 456 C ALA A 30 -7.518 -3.267 3.171 1.00 0.00 C ATOM 457 O ALA A 30 -8.612 -3.806 3.343 1.00 0.00 O ATOM 458 CB ALA A 30 -5.723 -4.340 4.545 1.00 0.00 C ATOM 0 H ALA A 30 -4.450 -3.035 2.870 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.466 -5.056 2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.495 -4.836 5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.837 -4.973 4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.467 -3.388 5.010 1.00 0.00 H new ATOM 464 N ASP A 31 -7.372 -1.957 3.005 1.00 0.00 N ATOM 465 CA ASP A 31 -8.516 -1.055 3.014 1.00 0.00 C ATOM 466 C ASP A 31 -8.174 0.254 2.325 1.00 0.00 C ATOM 467 O ASP A 31 -7.002 0.567 2.112 1.00 0.00 O ATOM 468 CB ASP A 31 -8.964 -0.776 4.446 1.00 0.00 C ATOM 469 CG ASP A 31 -9.926 -1.825 4.967 1.00 0.00 C ATOM 470 OD1 ASP A 31 -11.146 -1.672 4.750 1.00 0.00 O ATOM 471 OD2 ASP A 31 -9.457 -2.799 5.593 1.00 0.00 O ATOM 0 H ASP A 31 -6.473 -1.497 2.863 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.329 -1.538 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.090 -0.735 5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.440 0.203 4.490 1.00 0.00 H new ATOM 476 N LEU A 32 -9.199 1.020 1.975 1.00 0.00 N ATOM 477 CA LEU A 32 -8.993 2.288 1.311 1.00 0.00 C ATOM 478 C LEU A 32 -10.137 3.256 1.566 1.00 0.00 C ATOM 479 O LEU A 32 -11.305 2.930 1.355 1.00 0.00 O ATOM 480 CB LEU A 32 -8.818 2.071 -0.191 1.00 0.00 C ATOM 481 CG LEU A 32 -7.562 2.705 -0.768 1.00 0.00 C ATOM 482 CD1 LEU A 32 -6.851 1.741 -1.707 1.00 0.00 C ATOM 483 CD2 LEU A 32 -7.896 4.006 -1.482 1.00 0.00 C ATOM 0 H LEU A 32 -10.177 0.781 2.142 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.087 2.731 1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.797 1.000 -0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.687 2.476 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.887 2.933 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.956 2.217 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.570 0.841 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.517 1.474 -2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.984 4.443 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.595 3.806 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.350 4.702 -0.776 1.00 0.00 H new ATOM 495 N ILE A 33 -9.782 4.462 1.988 1.00 0.00 N ATOM 496 CA ILE A 33 -10.763 5.504 2.238 1.00 0.00 C ATOM 497 C ILE A 33 -10.865 6.396 1.010 1.00 0.00 C ATOM 498 O ILE A 33 -9.938 7.135 0.700 1.00 0.00 O ATOM 499 CB ILE A 33 -10.399 6.370 3.466 1.00 0.00 C ATOM 500 CG1 ILE A 33 -9.021 7.019 3.291 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.464 5.558 4.739 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.404 7.511 4.586 1.00 0.00 C ATOM 0 H ILE A 33 -8.817 4.742 2.164 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.716 5.019 2.447 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.135 7.170 3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.347 6.298 2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.110 7.858 2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.204 6.190 5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.474 5.170 4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.761 4.727 4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.431 7.957 4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.056 8.257 5.039 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.280 6.673 5.272 1.00 0.00 H new ATOM 514 N GLN A 34 -11.976 6.299 0.294 1.00 0.00 N ATOM 515 CA GLN A 34 -12.163 7.089 -0.915 1.00 0.00 C ATOM 516 C GLN A 34 -12.646 8.497 -0.587 1.00 0.00 C ATOM 517 O GLN A 34 -13.612 8.681 0.153 1.00 0.00 O ATOM 518 CB GLN A 34 -13.139 6.383 -1.854 1.00 0.00 C ATOM 519 CG GLN A 34 -12.627 5.038 -2.342 1.00 0.00 C ATOM 520 CD GLN A 34 -13.589 4.353 -3.294 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.802 4.543 -3.211 1.00 0.00 O ATOM 522 NE2 GLN A 34 -13.051 3.551 -4.206 1.00 0.00 N ATOM 0 H GLN A 34 -12.757 5.686 0.527 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.200 7.183 -1.416 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.089 6.239 -1.340 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.336 7.024 -2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.668 5.179 -2.841 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.448 4.389 -1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.040 3.422 -4.239 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.649 3.064 -4.873 1.00 0.00 H new ATOM 531 N GLY A 35 -11.952 9.488 -1.138 1.00 0.00 N ATOM 532 CA GLY A 35 -12.301 10.876 -0.893 1.00 0.00 C ATOM 533 C GLY A 35 -11.251 11.582 -0.056 1.00 0.00 C ATOM 534 O GLY A 35 -11.563 12.493 0.710 1.00 0.00 O ATOM 0 H GLY A 35 -11.150 9.353 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.417 11.395 -1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.264 10.924 -0.385 1.00 0.00 H new ATOM 538 N GLN A 36 -10.002 11.144 -0.199 1.00 0.00 N ATOM 539 CA GLN A 36 -8.890 11.719 0.550 1.00 0.00 C ATOM 540 C GLN A 36 -7.865 12.360 -0.384 1.00 0.00 C ATOM 541 O GLN A 36 -7.207 13.334 -0.021 1.00 0.00 O ATOM 542 CB GLN A 36 -8.236 10.638 1.423 1.00 0.00 C ATOM 543 CG GLN A 36 -8.255 9.249 0.806 1.00 0.00 C ATOM 544 CD GLN A 36 -7.517 9.162 -0.515 1.00 0.00 C ATOM 545 OE1 GLN A 36 -6.312 9.391 -0.584 1.00 0.00 O ATOM 546 NE2 GLN A 36 -8.241 8.812 -1.573 1.00 0.00 N ATOM 0 H GLN A 36 -9.735 10.389 -0.830 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.278 12.507 1.196 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.203 10.922 1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.747 10.604 2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.811 8.543 1.508 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.290 8.941 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.240 8.631 -1.470 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.798 8.724 -2.488 1.00 0.00 H new ATOM 555 N TYR A 37 -7.753 11.825 -1.592 1.00 0.00 N ATOM 556 CA TYR A 37 -6.827 12.355 -2.587 1.00 0.00 C ATOM 557 C TYR A 37 -7.360 12.084 -3.989 1.00 0.00 C ATOM 558 O TYR A 37 -7.963 11.042 -4.242 1.00 0.00 O ATOM 559 CB TYR A 37 -5.438 11.729 -2.423 1.00 0.00 C ATOM 560 CG TYR A 37 -4.476 12.537 -1.570 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.453 13.928 -1.625 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.572 11.903 -0.721 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.562 14.657 -0.861 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.678 12.628 0.042 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.677 14.003 -0.032 1.00 0.00 C ATOM 566 OH TYR A 37 -1.787 14.728 0.729 1.00 0.00 O ATOM 0 H TYR A 37 -8.294 11.021 -1.909 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.739 13.431 -2.439 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.550 10.739 -1.982 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.998 11.590 -3.410 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.143 14.445 -2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.570 10.825 -0.658 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.559 15.736 -0.913 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.983 12.119 0.694 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.925 14.779 0.265 1.00 0.00 H new ATOM 576 N PRO A 38 -7.159 13.028 -4.920 1.00 0.00 N ATOM 577 CA PRO A 38 -7.640 12.889 -6.298 1.00 0.00 C ATOM 578 C PRO A 38 -6.935 11.773 -7.063 1.00 0.00 C ATOM 579 O PRO A 38 -7.581 10.958 -7.724 1.00 0.00 O ATOM 580 CB PRO A 38 -7.326 14.249 -6.927 1.00 0.00 C ATOM 581 CG PRO A 38 -6.228 14.815 -6.097 1.00 0.00 C ATOM 582 CD PRO A 38 -6.464 14.310 -4.702 1.00 0.00 C ATOM 0 HA PRO A 38 -8.696 12.622 -6.327 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.018 14.141 -7.967 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.201 14.899 -6.919 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.254 14.496 -6.468 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.239 15.905 -6.125 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.528 14.174 -4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.071 15.003 -4.120 1.00 0.00 H new ATOM 590 N GLU A 39 -5.610 11.739 -6.976 1.00 0.00 N ATOM 591 CA GLU A 39 -4.830 10.722 -7.668 1.00 0.00 C ATOM 592 C GLU A 39 -5.113 9.337 -7.099 1.00 0.00 C ATOM 593 O GLU A 39 -5.419 8.404 -7.839 1.00 0.00 O ATOM 594 CB GLU A 39 -3.338 11.035 -7.565 1.00 0.00 C ATOM 595 CG GLU A 39 -2.931 12.314 -8.280 1.00 0.00 C ATOM 596 CD GLU A 39 -2.770 12.119 -9.774 1.00 0.00 C ATOM 597 OE1 GLU A 39 -3.795 12.126 -10.488 1.00 0.00 O ATOM 598 OE2 GLU A 39 -1.618 11.960 -10.231 1.00 0.00 O ATOM 0 H GLU A 39 -5.056 12.402 -6.435 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.123 10.729 -8.718 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.064 11.114 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.771 10.201 -7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.681 13.083 -8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.993 12.677 -7.861 1.00 0.00 H new ATOM 605 N ILE A 40 -5.008 9.211 -5.780 1.00 0.00 N ATOM 606 CA ILE A 40 -5.253 7.938 -5.112 1.00 0.00 C ATOM 607 C ILE A 40 -6.635 7.392 -5.454 1.00 0.00 C ATOM 608 O ILE A 40 -6.785 6.214 -5.780 1.00 0.00 O ATOM 609 CB ILE A 40 -5.127 8.073 -3.584 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.848 8.838 -3.224 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.147 6.695 -2.934 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.397 8.643 -1.793 1.00 0.00 C ATOM 0 H ILE A 40 -4.755 9.975 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.495 7.242 -5.471 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.977 8.640 -3.203 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.047 8.522 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.011 9.901 -3.401 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.057 6.801 -1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.085 6.194 -3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.313 6.103 -3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.487 9.216 -1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.179 8.986 -1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.200 7.586 -1.614 1.00 0.00 H new ATOM 624 N ASP A 41 -7.644 8.254 -5.381 1.00 0.00 N ATOM 625 CA ASP A 41 -9.010 7.854 -5.691 1.00 0.00 C ATOM 626 C ASP A 41 -9.132 7.462 -7.159 1.00 0.00 C ATOM 627 O ASP A 41 -9.947 6.615 -7.523 1.00 0.00 O ATOM 628 CB ASP A 41 -9.986 8.987 -5.368 1.00 0.00 C ATOM 629 CG ASP A 41 -11.380 8.479 -5.056 1.00 0.00 C ATOM 630 OD1 ASP A 41 -11.507 7.590 -4.188 1.00 0.00 O ATOM 631 OD2 ASP A 41 -12.345 8.970 -5.680 1.00 0.00 O ATOM 0 H ASP A 41 -7.541 9.232 -5.110 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.261 6.990 -5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.610 9.555 -4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.033 9.674 -6.213 1.00 0.00 H new ATOM 636 N SER A 42 -8.311 8.089 -7.995 1.00 0.00 N ATOM 637 CA SER A 42 -8.313 7.815 -9.428 1.00 0.00 C ATOM 638 C SER A 42 -7.213 6.826 -9.803 1.00 0.00 C ATOM 639 O SER A 42 -7.006 6.537 -10.981 1.00 0.00 O ATOM 640 CB SER A 42 -8.116 9.113 -10.208 1.00 0.00 C ATOM 641 OG SER A 42 -9.339 9.813 -10.356 1.00 0.00 O ATOM 0 H SER A 42 -7.633 8.793 -7.703 1.00 0.00 H new ATOM 0 HA SER A 42 -9.276 7.374 -9.683 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.393 9.744 -9.692 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.700 8.890 -11.191 1.00 0.00 H new ATOM 0 HG SER A 42 -9.184 10.641 -10.857 1.00 0.00 H new ATOM 647 N LYS A 43 -6.495 6.324 -8.802 1.00 0.00 N ATOM 648 CA LYS A 43 -5.406 5.391 -9.045 1.00 0.00 C ATOM 649 C LYS A 43 -5.532 4.137 -8.187 1.00 0.00 C ATOM 650 O LYS A 43 -5.845 3.057 -8.687 1.00 0.00 O ATOM 651 CB LYS A 43 -4.066 6.077 -8.769 1.00 0.00 C ATOM 652 CG LYS A 43 -3.673 7.079 -9.838 1.00 0.00 C ATOM 653 CD LYS A 43 -2.417 6.656 -10.585 1.00 0.00 C ATOM 654 CE LYS A 43 -2.739 6.205 -12.001 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.718 6.668 -12.981 1.00 0.00 N ATOM 0 H LYS A 43 -6.649 6.549 -7.819 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.457 5.084 -10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.117 6.585 -7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.287 5.319 -8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.494 7.194 -10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.510 8.054 -9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.714 7.488 -10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.927 5.845 -10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.801 5.117 -12.029 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.718 6.588 -12.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.869 6.190 -13.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.803 7.696 -13.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.767 6.442 -12.625 1.00 0.00 H new ATOM 669 N LEU A 44 -5.267 4.287 -6.895 1.00 0.00 N ATOM 670 CA LEU A 44 -5.327 3.161 -5.970 1.00 0.00 C ATOM 671 C LEU A 44 -6.761 2.743 -5.667 1.00 0.00 C ATOM 672 O LEU A 44 -7.677 3.565 -5.667 1.00 0.00 O ATOM 673 CB LEU A 44 -4.597 3.508 -4.672 1.00 0.00 C ATOM 674 CG LEU A 44 -3.092 3.738 -4.820 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.426 3.800 -3.456 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.466 2.643 -5.672 1.00 0.00 C ATOM 0 H LEU A 44 -5.009 5.175 -6.464 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.835 2.316 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.047 4.406 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.758 2.702 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.937 4.693 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.356 3.964 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.854 4.620 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.590 2.861 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.395 2.823 -5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.631 1.675 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.923 2.646 -6.662 1.00 0.00 H new ATOM 688 N GLN A 45 -6.937 1.451 -5.407 1.00 0.00 N ATOM 689 CA GLN A 45 -8.247 0.893 -5.095 1.00 0.00 C ATOM 690 C GLN A 45 -8.099 -0.367 -4.247 1.00 0.00 C ATOM 691 O GLN A 45 -7.061 -1.026 -4.276 1.00 0.00 O ATOM 692 CB GLN A 45 -9.007 0.572 -6.382 1.00 0.00 C ATOM 693 CG GLN A 45 -10.514 0.495 -6.194 1.00 0.00 C ATOM 694 CD GLN A 45 -11.268 0.547 -7.508 1.00 0.00 C ATOM 695 OE1 GLN A 45 -11.412 1.611 -8.113 1.00 0.00 O ATOM 696 NE2 GLN A 45 -11.752 -0.604 -7.959 1.00 0.00 N ATOM 0 H GLN A 45 -6.181 0.766 -5.407 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.812 1.633 -4.528 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.780 1.334 -7.128 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.649 -0.378 -6.778 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.765 -0.428 -5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.840 1.319 -5.559 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.609 -1.461 -7.425 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.267 -0.631 -8.839 1.00 0.00 H new ATOM 705 N ARG A 46 -9.140 -0.695 -3.489 1.00 0.00 N ATOM 706 CA ARG A 46 -9.119 -1.876 -2.632 1.00 0.00 C ATOM 707 C ARG A 46 -8.855 -3.141 -3.444 1.00 0.00 C ATOM 708 O ARG A 46 -9.740 -3.643 -4.136 1.00 0.00 O ATOM 709 CB ARG A 46 -10.445 -2.009 -1.878 1.00 0.00 C ATOM 710 CG ARG A 46 -10.432 -1.354 -0.506 1.00 0.00 C ATOM 711 CD ARG A 46 -11.636 -1.774 0.323 1.00 0.00 C ATOM 712 NE ARG A 46 -11.671 -3.218 0.547 1.00 0.00 N ATOM 713 CZ ARG A 46 -12.756 -3.882 0.938 1.00 0.00 C ATOM 714 NH1 ARG A 46 -13.898 -3.238 1.149 1.00 0.00 N ATOM 715 NH2 ARG A 46 -12.700 -5.194 1.119 1.00 0.00 N ATOM 0 H ARG A 46 -10.008 -0.161 -3.450 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.308 -1.754 -1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.240 -1.564 -2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.685 -3.066 -1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.516 -1.624 0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.427 -0.270 -0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.612 -1.259 1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.550 -1.464 -0.183 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.813 -3.748 0.395 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.947 -2.229 1.011 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.726 -3.753 1.449 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.826 -5.694 0.959 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.531 -5.703 1.419 1.00 0.00 H new ATOM 729 N GLY A 47 -7.631 -3.655 -3.350 1.00 0.00 N ATOM 730 CA GLY A 47 -7.274 -4.860 -4.077 1.00 0.00 C ATOM 731 C GLY A 47 -6.038 -4.685 -4.939 1.00 0.00 C ATOM 732 O GLY A 47 -6.017 -5.102 -6.096 1.00 0.00 O ATOM 0 H GLY A 47 -6.881 -3.258 -2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.104 -5.670 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.111 -5.159 -4.708 1.00 0.00 H new ATOM 736 N ASP A 48 -5.005 -4.066 -4.375 1.00 0.00 N ATOM 737 CA ASP A 48 -3.761 -3.842 -5.104 1.00 0.00 C ATOM 738 C ASP A 48 -2.558 -3.955 -4.174 1.00 0.00 C ATOM 739 O ASP A 48 -2.628 -3.583 -3.003 1.00 0.00 O ATOM 740 CB ASP A 48 -3.779 -2.467 -5.777 1.00 0.00 C ATOM 741 CG ASP A 48 -4.128 -2.550 -7.249 1.00 0.00 C ATOM 742 OD1 ASP A 48 -4.716 -3.570 -7.665 1.00 0.00 O ATOM 743 OD2 ASP A 48 -3.812 -1.594 -7.989 1.00 0.00 O ATOM 0 H ASP A 48 -5.004 -3.712 -3.419 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.675 -4.611 -5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.501 -1.827 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.802 -1.997 -5.664 1.00 0.00 H new ATOM 748 N ILE A 49 -1.457 -4.478 -4.700 1.00 0.00 N ATOM 749 CA ILE A 49 -0.240 -4.650 -3.915 1.00 0.00 C ATOM 750 C ILE A 49 0.870 -3.733 -4.406 1.00 0.00 C ATOM 751 O ILE A 49 1.329 -3.856 -5.541 1.00 0.00 O ATOM 752 CB ILE A 49 0.270 -6.103 -3.969 1.00 0.00 C ATOM 753 CG1 ILE A 49 -0.899 -7.096 -3.959 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.221 -6.377 -2.814 1.00 0.00 C ATOM 755 CD1 ILE A 49 -0.929 -8.001 -5.169 1.00 0.00 C ATOM 0 H ILE A 49 -1.382 -4.791 -5.668 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.499 -4.395 -2.887 1.00 0.00 H new ATOM 0 HB ILE A 49 0.816 -6.238 -4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.839 -7.708 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.836 -6.542 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.571 -7.408 -2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.073 -5.700 -2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.701 -6.220 -1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.781 -8.677 -5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.020 -7.398 -6.072 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.007 -8.582 -5.212 1.00 0.00 H new ATOM 767 N ILE A 50 1.316 -2.825 -3.545 1.00 0.00 N ATOM 768 CA ILE A 50 2.388 -1.911 -3.908 1.00 0.00 C ATOM 769 C ILE A 50 3.723 -2.638 -3.906 1.00 0.00 C ATOM 770 O ILE A 50 4.321 -2.861 -2.854 1.00 0.00 O ATOM 771 CB ILE A 50 2.466 -0.709 -2.947 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.099 -0.040 -2.825 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.509 0.289 -3.428 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.817 0.500 -1.445 1.00 0.00 C ATOM 0 H ILE A 50 0.954 -2.704 -2.599 1.00 0.00 H new ATOM 0 HA ILE A 50 2.168 -1.538 -4.908 1.00 0.00 H new ATOM 0 HB ILE A 50 2.764 -1.069 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.036 0.775 -3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.325 -0.760 -3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.551 1.132 -2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.484 -0.196 -3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.239 0.647 -4.422 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.170 0.962 -1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.848 -0.315 -0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.570 1.244 -1.185 1.00 0.00 H new ATOM 786 N THR A 51 4.181 -3.011 -5.093 1.00 0.00 N ATOM 787 CA THR A 51 5.445 -3.723 -5.234 1.00 0.00 C ATOM 788 C THR A 51 6.600 -2.756 -5.504 1.00 0.00 C ATOM 789 O THR A 51 7.760 -3.164 -5.570 1.00 0.00 O ATOM 790 CB THR A 51 5.346 -4.758 -6.357 1.00 0.00 C ATOM 791 OG1 THR A 51 5.411 -4.133 -7.625 1.00 0.00 O ATOM 792 CG2 THR A 51 4.071 -5.572 -6.309 1.00 0.00 C ATOM 0 H THR A 51 3.697 -2.833 -5.973 1.00 0.00 H new ATOM 0 HA THR A 51 5.650 -4.236 -4.294 1.00 0.00 H new ATOM 0 HB THR A 51 6.192 -5.429 -6.206 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.348 -4.813 -8.328 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.064 -6.286 -7.132 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.018 -6.109 -5.362 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.212 -4.908 -6.398 1.00 0.00 H new ATOM 800 N LYS A 52 6.277 -1.474 -5.647 1.00 0.00 N ATOM 801 CA LYS A 52 7.282 -0.448 -5.893 1.00 0.00 C ATOM 802 C LYS A 52 6.887 0.847 -5.195 1.00 0.00 C ATOM 803 O LYS A 52 5.700 1.147 -5.056 1.00 0.00 O ATOM 804 CB LYS A 52 7.453 -0.209 -7.395 1.00 0.00 C ATOM 805 CG LYS A 52 8.818 -0.619 -7.925 1.00 0.00 C ATOM 806 CD LYS A 52 9.599 0.577 -8.448 1.00 0.00 C ATOM 807 CE LYS A 52 11.087 0.277 -8.536 1.00 0.00 C ATOM 808 NZ LYS A 52 11.736 1.001 -9.662 1.00 0.00 N ATOM 0 H LYS A 52 5.321 -1.121 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 52 8.235 -0.792 -5.490 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.683 -0.762 -7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.293 0.848 -7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.385 -1.106 -7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.694 -1.350 -8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.224 0.855 -9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.438 1.433 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.569 0.557 -7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.234 -0.796 -8.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.741 1.156 -9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.655 0.436 -10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.267 1.919 -9.801 1.00 0.00 H new ATOM 822 N PHE A 53 7.877 1.605 -4.744 1.00 0.00 N ATOM 823 CA PHE A 53 7.610 2.856 -4.048 1.00 0.00 C ATOM 824 C PHE A 53 8.771 3.835 -4.201 1.00 0.00 C ATOM 825 O PHE A 53 9.870 3.595 -3.701 1.00 0.00 O ATOM 826 CB PHE A 53 7.344 2.569 -2.569 1.00 0.00 C ATOM 827 CG PHE A 53 7.141 3.800 -1.734 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.224 4.547 -1.306 1.00 0.00 C ATOM 829 CD2 PHE A 53 5.866 4.203 -1.372 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.042 5.676 -0.534 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.677 5.330 -0.600 1.00 0.00 C ATOM 832 CZ PHE A 53 6.765 6.068 -0.181 1.00 0.00 C ATOM 0 H PHE A 53 8.866 1.378 -4.847 1.00 0.00 H new ATOM 0 HA PHE A 53 6.729 3.319 -4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.460 1.936 -2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.182 2.002 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.224 4.243 -1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.011 3.629 -1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.895 6.252 -0.207 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.678 5.635 -0.324 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.618 6.952 0.423 1.00 0.00 H new ATOM 842 N ASN A 54 8.514 4.941 -4.894 1.00 0.00 N ATOM 843 CA ASN A 54 9.530 5.965 -5.118 1.00 0.00 C ATOM 844 C ASN A 54 10.820 5.348 -5.656 1.00 0.00 C ATOM 845 O ASN A 54 11.916 5.655 -5.185 1.00 0.00 O ATOM 846 CB ASN A 54 9.807 6.725 -3.816 1.00 0.00 C ATOM 847 CG ASN A 54 9.465 8.199 -3.925 1.00 0.00 C ATOM 848 OD1 ASN A 54 9.956 8.897 -4.812 1.00 0.00 O ATOM 849 ND2 ASN A 54 8.621 8.680 -3.020 1.00 0.00 N ATOM 0 H ASN A 54 7.607 5.151 -5.311 1.00 0.00 H new ATOM 0 HA ASN A 54 9.153 6.664 -5.864 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.228 6.279 -3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.859 6.617 -3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.356 9.665 -3.043 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.238 8.065 -2.302 1.00 0.00 H new ATOM 856 N GLY A 55 10.680 4.472 -6.646 1.00 0.00 N ATOM 857 CA GLY A 55 11.838 3.823 -7.230 1.00 0.00 C ATOM 858 C GLY A 55 12.487 2.837 -6.279 1.00 0.00 C ATOM 859 O GLY A 55 13.677 2.543 -6.397 1.00 0.00 O ATOM 0 H GLY A 55 9.785 4.201 -7.054 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.540 3.303 -8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.568 4.579 -7.519 1.00 0.00 H new ATOM 863 N ASP A 56 11.704 2.325 -5.336 1.00 0.00 N ATOM 864 CA ASP A 56 12.205 1.365 -4.360 1.00 0.00 C ATOM 865 C ASP A 56 11.361 0.096 -4.372 1.00 0.00 C ATOM 866 O ASP A 56 10.254 0.071 -3.835 1.00 0.00 O ATOM 867 CB ASP A 56 12.207 1.980 -2.960 1.00 0.00 C ATOM 868 CG ASP A 56 12.946 1.120 -1.953 1.00 0.00 C ATOM 869 OD1 ASP A 56 13.920 0.445 -2.349 1.00 0.00 O ATOM 870 OD2 ASP A 56 12.551 1.121 -0.768 1.00 0.00 O ATOM 0 H ASP A 56 10.717 2.560 -5.227 1.00 0.00 H new ATOM 0 HA ASP A 56 13.228 1.105 -4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.669 2.966 -3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.179 2.123 -2.627 1.00 0.00 H new ATOM 875 N ALA A 57 11.889 -0.953 -4.992 1.00 0.00 N ATOM 876 CA ALA A 57 11.183 -2.226 -5.080 1.00 0.00 C ATOM 877 C ALA A 57 10.759 -2.725 -3.703 1.00 0.00 C ATOM 878 O ALA A 57 11.598 -3.047 -2.861 1.00 0.00 O ATOM 879 CB ALA A 57 12.055 -3.264 -5.770 1.00 0.00 C ATOM 0 H ALA A 57 12.805 -0.947 -5.442 1.00 0.00 H new ATOM 0 HA ALA A 57 10.281 -2.068 -5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.517 -4.210 -5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.301 -2.922 -6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.973 -3.404 -5.200 1.00 0.00 H new ATOM 885 N LEU A 58 9.449 -2.796 -3.484 1.00 0.00 N ATOM 886 CA LEU A 58 8.908 -3.267 -2.213 1.00 0.00 C ATOM 887 C LEU A 58 8.669 -4.777 -2.249 1.00 0.00 C ATOM 888 O LEU A 58 7.956 -5.319 -1.407 1.00 0.00 O ATOM 889 CB LEU A 58 7.600 -2.537 -1.887 1.00 0.00 C ATOM 890 CG LEU A 58 7.623 -1.022 -2.109 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.210 -0.452 -2.086 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.488 -0.342 -1.057 1.00 0.00 C ATOM 0 H LEU A 58 8.742 -2.533 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 58 9.639 -3.051 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.803 -2.965 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.345 -2.731 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 58 8.055 -0.828 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.250 0.626 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.618 -0.914 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.750 -0.659 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.493 0.734 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.085 -0.548 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.507 -0.724 -1.121 1.00 0.00 H new ATOM 904 N GLU A 59 9.263 -5.450 -3.232 1.00 0.00 N ATOM 905 CA GLU A 59 9.106 -6.893 -3.379 1.00 0.00 C ATOM 906 C GLU A 59 10.192 -7.649 -2.617 1.00 0.00 C ATOM 907 O GLU A 59 11.383 -7.424 -2.826 1.00 0.00 O ATOM 908 CB GLU A 59 9.141 -7.276 -4.860 1.00 0.00 C ATOM 909 CG GLU A 59 9.107 -8.777 -5.109 1.00 0.00 C ATOM 910 CD GLU A 59 8.243 -9.153 -6.297 1.00 0.00 C ATOM 911 OE1 GLU A 59 7.334 -8.368 -6.644 1.00 0.00 O ATOM 912 OE2 GLU A 59 8.473 -10.233 -6.880 1.00 0.00 O ATOM 0 H GLU A 59 9.858 -5.018 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 59 8.141 -7.172 -2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.292 -6.814 -5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.043 -6.863 -5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.122 -9.137 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.732 -9.281 -4.218 1.00 0.00 H new ATOM 919 N GLY A 60 9.766 -8.557 -1.744 1.00 0.00 N ATOM 920 CA GLY A 60 10.708 -9.347 -0.973 1.00 0.00 C ATOM 921 C GLY A 60 11.040 -8.739 0.378 1.00 0.00 C ATOM 922 O GLY A 60 12.019 -9.132 1.011 1.00 0.00 O ATOM 0 H GLY A 60 8.784 -8.760 -1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.297 -10.345 -0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.628 -9.464 -1.546 1.00 0.00 H new ATOM 926 N LEU A 61 10.230 -7.783 0.825 1.00 0.00 N ATOM 927 CA LEU A 61 10.461 -7.138 2.114 1.00 0.00 C ATOM 928 C LEU A 61 9.196 -7.154 2.973 1.00 0.00 C ATOM 929 O LEU A 61 8.090 -7.316 2.461 1.00 0.00 O ATOM 930 CB LEU A 61 10.943 -5.698 1.917 1.00 0.00 C ATOM 931 CG LEU A 61 10.344 -4.966 0.715 1.00 0.00 C ATOM 932 CD1 LEU A 61 8.932 -4.497 1.026 1.00 0.00 C ATOM 933 CD2 LEU A 61 11.226 -3.790 0.317 1.00 0.00 C ATOM 0 H LEU A 61 9.414 -7.440 0.318 1.00 0.00 H new ATOM 0 HA LEU A 61 11.236 -7.702 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.714 -5.129 2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.028 -5.707 1.812 1.00 0.00 H new ATOM 0 HG LEU A 61 10.296 -5.659 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.522 -3.978 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.307 -5.358 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.954 -3.818 1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.787 -3.279 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.305 -3.095 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.219 -4.153 0.053 1.00 0.00 H new ATOM 945 N PRO A 62 9.351 -6.988 4.300 1.00 0.00 N ATOM 946 CA PRO A 62 8.220 -6.988 5.237 1.00 0.00 C ATOM 947 C PRO A 62 7.293 -5.796 5.033 1.00 0.00 C ATOM 948 O PRO A 62 7.438 -5.040 4.072 1.00 0.00 O ATOM 949 CB PRO A 62 8.889 -6.903 6.611 1.00 0.00 C ATOM 950 CG PRO A 62 10.227 -6.304 6.348 1.00 0.00 C ATOM 951 CD PRO A 62 10.638 -6.792 4.989 1.00 0.00 C ATOM 0 HA PRO A 62 7.591 -7.868 5.105 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.308 -6.286 7.296 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.980 -7.888 7.068 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.179 -5.215 6.374 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.947 -6.609 7.107 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.265 -6.065 4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.208 -7.719 5.049 1.00 0.00 H new ATOM 959 N PHE A 63 6.344 -5.630 5.948 1.00 0.00 N ATOM 960 CA PHE A 63 5.398 -4.525 5.873 1.00 0.00 C ATOM 961 C PHE A 63 5.888 -3.344 6.698 1.00 0.00 C ATOM 962 O PHE A 63 5.636 -2.192 6.356 1.00 0.00 O ATOM 963 CB PHE A 63 4.014 -4.959 6.360 1.00 0.00 C ATOM 964 CG PHE A 63 2.998 -3.849 6.348 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.961 -2.936 5.304 1.00 0.00 C ATOM 966 CD2 PHE A 63 2.082 -3.717 7.380 1.00 0.00 C ATOM 967 CE1 PHE A 63 2.030 -1.914 5.290 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.150 -2.697 7.371 1.00 0.00 C ATOM 969 CZ PHE A 63 1.124 -1.795 6.326 1.00 0.00 C ATOM 0 H PHE A 63 6.210 -6.247 6.749 1.00 0.00 H new ATOM 0 HA PHE A 63 5.321 -4.220 4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.656 -5.775 5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.101 -5.351 7.374 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.668 -3.025 4.492 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.097 -4.419 8.200 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.011 -1.210 4.471 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.442 -2.605 8.181 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.396 -0.997 6.319 1.00 0.00 H new ATOM 979 N GLN A 64 6.596 -3.635 7.787 1.00 0.00 N ATOM 980 CA GLN A 64 7.124 -2.586 8.653 1.00 0.00 C ATOM 981 C GLN A 64 7.862 -1.536 7.829 1.00 0.00 C ATOM 982 O GLN A 64 7.656 -0.334 8.002 1.00 0.00 O ATOM 983 CB GLN A 64 8.064 -3.183 9.702 1.00 0.00 C ATOM 984 CG GLN A 64 9.158 -4.060 9.112 1.00 0.00 C ATOM 985 CD GLN A 64 9.625 -5.135 10.074 1.00 0.00 C ATOM 986 OE1 GLN A 64 10.818 -5.260 10.352 1.00 0.00 O ATOM 987 NE2 GLN A 64 8.685 -5.919 10.587 1.00 0.00 N ATOM 0 H GLN A 64 6.816 -4.584 8.089 1.00 0.00 H new ATOM 0 HA GLN A 64 6.287 -2.108 9.162 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.525 -2.373 10.267 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.479 -3.772 10.408 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.790 -4.529 8.199 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.006 -3.436 8.830 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.708 -5.780 10.329 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.940 -6.661 11.239 1.00 0.00 H new ATOM 996 N VAL A 65 8.713 -2.003 6.921 1.00 0.00 N ATOM 997 CA VAL A 65 9.472 -1.108 6.060 1.00 0.00 C ATOM 998 C VAL A 65 8.543 -0.320 5.142 1.00 0.00 C ATOM 999 O VAL A 65 8.737 0.876 4.924 1.00 0.00 O ATOM 1000 CB VAL A 65 10.491 -1.881 5.202 1.00 0.00 C ATOM 1001 CG1 VAL A 65 11.572 -2.494 6.079 1.00 0.00 C ATOM 1002 CG2 VAL A 65 9.797 -2.951 4.375 1.00 0.00 C ATOM 0 H VAL A 65 8.893 -2.995 6.764 1.00 0.00 H new ATOM 0 HA VAL A 65 10.010 -0.419 6.711 1.00 0.00 H new ATOM 0 HB VAL A 65 10.965 -1.178 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.283 -3.036 5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.093 -1.704 6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.116 -3.182 6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.536 -3.485 3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.292 -3.653 5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.065 -2.484 3.716 1.00 0.00 H new ATOM 1012 N CYS A 66 7.529 -0.999 4.613 1.00 0.00 N ATOM 1013 CA CYS A 66 6.565 -0.364 3.721 1.00 0.00 C ATOM 1014 C CYS A 66 5.801 0.742 4.443 1.00 0.00 C ATOM 1015 O CYS A 66 5.729 1.873 3.966 1.00 0.00 O ATOM 1016 CB CYS A 66 5.585 -1.403 3.174 1.00 0.00 C ATOM 1017 SG CYS A 66 6.223 -2.348 1.770 1.00 0.00 S ATOM 0 H CYS A 66 7.354 -1.989 4.787 1.00 0.00 H new ATOM 0 HA CYS A 66 7.114 0.081 2.891 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.320 -2.094 3.974 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.667 -0.898 2.872 1.00 0.00 H new ATOM 0 HG CYS A 66 5.455 -3.374 1.553 1.00 0.00 H new ATOM 1023 N TYR A 67 5.237 0.409 5.598 1.00 0.00 N ATOM 1024 CA TYR A 67 4.483 1.374 6.387 1.00 0.00 C ATOM 1025 C TYR A 67 5.356 2.571 6.754 1.00 0.00 C ATOM 1026 O TYR A 67 4.862 3.689 6.903 1.00 0.00 O ATOM 1027 CB TYR A 67 3.946 0.719 7.660 1.00 0.00 C ATOM 1028 CG TYR A 67 2.879 1.537 8.350 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.597 1.628 7.824 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.155 2.224 9.526 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.619 2.378 8.449 1.00 0.00 C ATOM 1032 CE2 TYR A 67 2.183 2.977 10.157 1.00 0.00 C ATOM 1033 CZ TYR A 67 0.919 3.051 9.615 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.052 3.798 10.241 1.00 0.00 O ATOM 0 H TYR A 67 5.288 -0.523 6.009 1.00 0.00 H new ATOM 0 HA TYR A 67 3.645 1.722 5.784 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.539 -0.261 7.412 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.772 0.555 8.352 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.360 1.103 6.910 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.145 2.169 9.954 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.374 2.437 8.027 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.413 3.505 11.071 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.340 4.523 9.648 1.00 0.00 H new ATOM 1044 N ALA A 68 6.655 2.325 6.911 1.00 0.00 N ATOM 1045 CA ALA A 68 7.596 3.380 7.279 1.00 0.00 C ATOM 1046 C ALA A 68 7.824 4.372 6.144 1.00 0.00 C ATOM 1047 O ALA A 68 7.716 5.582 6.342 1.00 0.00 O ATOM 1048 CB ALA A 68 8.921 2.764 7.698 1.00 0.00 C ATOM 0 H ALA A 68 7.079 1.405 6.789 1.00 0.00 H new ATOM 0 HA ALA A 68 7.160 3.931 8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.620 3.555 7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.763 2.108 8.554 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.332 2.187 6.870 1.00 0.00 H new ATOM 1054 N LEU A 69 8.138 3.867 4.955 1.00 0.00 N ATOM 1055 CA LEU A 69 8.375 4.737 3.809 1.00 0.00 C ATOM 1056 C LEU A 69 7.071 5.378 3.356 1.00 0.00 C ATOM 1057 O LEU A 69 7.057 6.507 2.867 1.00 0.00 O ATOM 1058 CB LEU A 69 9.018 3.965 2.653 1.00 0.00 C ATOM 1059 CG LEU A 69 8.370 2.618 2.332 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.674 2.666 0.980 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.410 1.507 2.360 1.00 0.00 C ATOM 0 H LEU A 69 8.233 2.870 4.761 1.00 0.00 H new ATOM 0 HA LEU A 69 9.067 5.521 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.987 4.588 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.069 3.798 2.888 1.00 0.00 H new ATOM 0 HG LEU A 69 7.620 2.407 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.219 1.698 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.901 3.434 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.403 2.900 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.932 0.555 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.183 1.713 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.861 1.456 3.351 1.00 0.00 H new ATOM 1073 N PHE A 70 5.972 4.653 3.539 1.00 0.00 N ATOM 1074 CA PHE A 70 4.658 5.156 3.169 1.00 0.00 C ATOM 1075 C PHE A 70 4.213 6.234 4.151 1.00 0.00 C ATOM 1076 O PHE A 70 3.441 7.126 3.802 1.00 0.00 O ATOM 1077 CB PHE A 70 3.635 4.019 3.134 1.00 0.00 C ATOM 1078 CG PHE A 70 3.411 3.462 1.757 1.00 0.00 C ATOM 1079 CD1 PHE A 70 2.682 4.176 0.820 1.00 0.00 C ATOM 1080 CD2 PHE A 70 3.932 2.229 1.398 1.00 0.00 C ATOM 1081 CE1 PHE A 70 2.477 3.672 -0.450 1.00 0.00 C ATOM 1082 CE2 PHE A 70 3.728 1.719 0.129 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.001 2.442 -0.796 1.00 0.00 C ATOM 0 H PHE A 70 5.967 3.716 3.941 1.00 0.00 H new ATOM 0 HA PHE A 70 4.723 5.591 2.172 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.971 3.218 3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.686 4.381 3.530 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.269 5.138 1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.503 1.661 2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.908 4.239 -1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.137 0.756 -0.139 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.842 2.046 -1.788 1.00 0.00 H new ATOM 1093 N LYS A 71 4.711 6.144 5.382 1.00 0.00 N ATOM 1094 CA LYS A 71 4.377 7.111 6.420 1.00 0.00 C ATOM 1095 C LYS A 71 5.291 8.330 6.339 1.00 0.00 C ATOM 1096 O LYS A 71 4.840 9.470 6.453 1.00 0.00 O ATOM 1097 CB LYS A 71 4.497 6.470 7.805 1.00 0.00 C ATOM 1098 CG LYS A 71 3.195 5.882 8.322 1.00 0.00 C ATOM 1099 CD LYS A 71 3.005 6.168 9.803 1.00 0.00 C ATOM 1100 CE LYS A 71 2.440 7.560 10.033 1.00 0.00 C ATOM 1101 NZ LYS A 71 1.469 7.586 11.162 1.00 0.00 N ATOM 0 H LYS A 71 5.349 5.408 5.684 1.00 0.00 H new ATOM 0 HA LYS A 71 3.348 7.433 6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.251 5.683 7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.853 7.219 8.512 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.358 6.297 7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.189 4.805 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.334 5.426 10.235 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.960 6.072 10.319 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.255 8.253 10.240 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.949 7.907 9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.107 8.553 11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.678 6.944 10.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.944 7.279 12.035 1.00 0.00 H new ATOM 1115 N GLY A 72 6.583 8.078 6.148 1.00 0.00 N ATOM 1116 CA GLY A 72 7.551 9.155 6.063 1.00 0.00 C ATOM 1117 C GLY A 72 7.453 9.940 4.768 1.00 0.00 C ATOM 1118 O GLY A 72 7.872 11.094 4.708 1.00 0.00 O ATOM 0 H GLY A 72 6.977 7.142 6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.407 9.833 6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.555 8.742 6.156 1.00 0.00 H new ATOM 1122 N ALA A 73 6.902 9.312 3.730 1.00 0.00 N ATOM 1123 CA ALA A 73 6.750 9.957 2.426 1.00 0.00 C ATOM 1124 C ALA A 73 6.278 11.404 2.562 1.00 0.00 C ATOM 1125 O ALA A 73 5.294 11.684 3.246 1.00 0.00 O ATOM 1126 CB ALA A 73 5.788 9.162 1.565 1.00 0.00 C ATOM 0 H ALA A 73 6.552 8.354 3.767 1.00 0.00 H new ATOM 0 HA ALA A 73 7.728 9.978 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.680 9.649 0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.175 8.153 1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.816 9.112 2.056 1.00 0.00 H new ATOM 1132 N ASN A 74 6.986 12.319 1.908 1.00 0.00 N ATOM 1133 CA ASN A 74 6.640 13.735 1.955 1.00 0.00 C ATOM 1134 C ASN A 74 7.204 14.473 0.747 1.00 0.00 C ATOM 1135 O ASN A 74 8.400 14.763 0.686 1.00 0.00 O ATOM 1136 CB ASN A 74 7.162 14.371 3.245 1.00 0.00 C ATOM 1137 CG ASN A 74 8.667 14.265 3.374 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.392 15.236 3.157 1.00 0.00 O ATOM 1139 ND2 ASN A 74 9.146 13.079 3.728 1.00 0.00 N ATOM 0 H ASN A 74 7.804 12.105 1.338 1.00 0.00 H new ATOM 0 HA ASN A 74 5.553 13.816 1.934 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.871 15.421 3.273 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.692 13.887 4.101 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.152 12.945 3.830 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.508 12.301 3.898 1.00 0.00 H new ATOM 1146 N GLY A 75 6.338 14.770 -0.216 1.00 0.00 N ATOM 1147 CA GLY A 75 6.767 15.468 -1.413 1.00 0.00 C ATOM 1148 C GLY A 75 6.738 14.577 -2.639 1.00 0.00 C ATOM 1149 O GLY A 75 7.758 14.004 -3.021 1.00 0.00 O ATOM 0 H GLY A 75 5.345 14.539 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.122 16.331 -1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.778 15.848 -1.267 1.00 0.00 H new ATOM 1153 N LYS A 76 5.563 14.457 -3.251 1.00 0.00 N ATOM 1154 CA LYS A 76 5.397 13.625 -4.435 1.00 0.00 C ATOM 1155 C LYS A 76 5.751 12.172 -4.121 1.00 0.00 C ATOM 1156 O LYS A 76 6.895 11.855 -3.799 1.00 0.00 O ATOM 1157 CB LYS A 76 6.266 14.152 -5.573 1.00 0.00 C ATOM 1158 CG LYS A 76 5.587 14.091 -6.933 1.00 0.00 C ATOM 1159 CD LYS A 76 4.967 15.428 -7.308 1.00 0.00 C ATOM 1160 CE LYS A 76 3.454 15.403 -7.157 1.00 0.00 C ATOM 1161 NZ LYS A 76 2.829 16.680 -7.602 1.00 0.00 N ATOM 0 H LYS A 76 4.711 14.927 -2.944 1.00 0.00 H new ATOM 0 HA LYS A 76 4.353 13.664 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.543 15.184 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.190 13.575 -5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.314 13.801 -7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.815 13.322 -6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.384 16.213 -6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.227 15.675 -8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.045 14.577 -7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.196 15.217 -6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.798 16.622 -7.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.200 17.466 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.053 16.845 -8.604 1.00 0.00 H new ATOM 1175 N VAL A 77 4.752 11.298 -4.199 1.00 0.00 N ATOM 1176 CA VAL A 77 4.947 9.883 -3.905 1.00 0.00 C ATOM 1177 C VAL A 77 4.422 8.997 -5.028 1.00 0.00 C ATOM 1178 O VAL A 77 3.214 8.851 -5.196 1.00 0.00 O ATOM 1179 CB VAL A 77 4.237 9.483 -2.601 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.186 9.582 -1.425 1.00 0.00 C ATOM 1181 CG2 VAL A 77 3.007 10.335 -2.368 1.00 0.00 C ATOM 0 H VAL A 77 3.799 11.546 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 77 6.022 9.736 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 77 3.915 8.446 -2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.665 9.295 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.033 8.915 -1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.544 10.607 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.524 10.031 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.298 11.383 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.312 10.205 -3.198 1.00 0.00 H new ATOM 1191 N SER A 78 5.335 8.392 -5.781 1.00 0.00 N ATOM 1192 CA SER A 78 4.953 7.507 -6.874 1.00 0.00 C ATOM 1193 C SER A 78 5.065 6.048 -6.444 1.00 0.00 C ATOM 1194 O SER A 78 6.162 5.543 -6.207 1.00 0.00 O ATOM 1195 CB SER A 78 5.833 7.764 -8.098 1.00 0.00 C ATOM 1196 OG SER A 78 5.341 7.077 -9.236 1.00 0.00 O ATOM 0 H SER A 78 6.342 8.498 -5.654 1.00 0.00 H new ATOM 0 HA SER A 78 3.916 7.713 -7.138 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.871 8.834 -8.304 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.854 7.443 -7.889 1.00 0.00 H new ATOM 0 HG SER A 78 5.250 6.123 -9.029 1.00 0.00 H new ATOM 1202 N MET A 79 3.922 5.378 -6.334 1.00 0.00 N ATOM 1203 CA MET A 79 3.890 3.981 -5.919 1.00 0.00 C ATOM 1204 C MET A 79 3.356 3.085 -7.030 1.00 0.00 C ATOM 1205 O MET A 79 2.245 3.286 -7.520 1.00 0.00 O ATOM 1206 CB MET A 79 3.024 3.811 -4.666 1.00 0.00 C ATOM 1207 CG MET A 79 2.897 5.070 -3.823 1.00 0.00 C ATOM 1208 SD MET A 79 1.362 5.964 -4.134 1.00 0.00 S ATOM 1209 CE MET A 79 0.543 5.793 -2.550 1.00 0.00 C ATOM 0 H MET A 79 3.005 5.781 -6.527 1.00 0.00 H new ATOM 0 HA MET A 79 4.914 3.684 -5.694 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.028 3.486 -4.967 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.446 3.016 -4.051 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.949 4.802 -2.768 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.743 5.726 -4.028 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.391 6.355 -2.561 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.331 4.741 -2.362 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.190 6.179 -1.762 1.00 0.00 H new ATOM 1219 N GLU A 80 4.142 2.082 -7.410 1.00 0.00 N ATOM 1220 CA GLU A 80 3.727 1.149 -8.449 1.00 0.00 C ATOM 1221 C GLU A 80 2.923 0.009 -7.837 1.00 0.00 C ATOM 1222 O GLU A 80 3.480 -0.882 -7.195 1.00 0.00 O ATOM 1223 CB GLU A 80 4.939 0.597 -9.207 1.00 0.00 C ATOM 1224 CG GLU A 80 4.895 0.868 -10.702 1.00 0.00 C ATOM 1225 CD GLU A 80 6.244 1.276 -11.261 1.00 0.00 C ATOM 1226 OE1 GLU A 80 7.263 1.055 -10.574 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.282 1.817 -12.386 1.00 0.00 O ATOM 0 H GLU A 80 5.064 1.896 -7.016 1.00 0.00 H new ATOM 0 HA GLU A 80 3.099 1.686 -9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.847 1.036 -8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.001 -0.479 -9.043 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.547 -0.026 -11.219 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.169 1.656 -10.903 1.00 0.00 H new ATOM 1234 N VAL A 81 1.611 0.050 -8.028 1.00 0.00 N ATOM 1235 CA VAL A 81 0.729 -0.975 -7.483 1.00 0.00 C ATOM 1236 C VAL A 81 0.445 -2.065 -8.506 1.00 0.00 C ATOM 1237 O VAL A 81 0.295 -1.794 -9.697 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.608 -0.385 -6.997 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.479 0.116 -5.569 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -1.073 0.725 -7.917 1.00 0.00 C ATOM 0 H VAL A 81 1.134 0.781 -8.556 1.00 0.00 H new ATOM 0 HA VAL A 81 1.254 -1.406 -6.631 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.359 -1.175 -7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.433 0.530 -5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.199 -0.711 -4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.287 0.890 -5.523 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.019 1.126 -7.554 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.326 1.518 -7.936 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.209 0.330 -8.924 1.00 0.00 H new ATOM 1250 N THR A 82 0.368 -3.303 -8.030 1.00 0.00 N ATOM 1251 CA THR A 82 0.101 -4.444 -8.894 1.00 0.00 C ATOM 1252 C THR A 82 -1.304 -4.989 -8.647 1.00 0.00 C ATOM 1253 O THR A 82 -1.633 -5.404 -7.536 1.00 0.00 O ATOM 1254 CB THR A 82 1.142 -5.540 -8.654 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.439 -5.079 -8.987 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.886 -6.802 -9.451 1.00 0.00 C ATOM 0 H THR A 82 0.488 -3.541 -7.045 1.00 0.00 H new ATOM 0 HA THR A 82 0.165 -4.115 -9.931 1.00 0.00 H new ATOM 0 HB THR A 82 1.065 -5.781 -7.594 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.662 -4.302 -8.433 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.662 -7.535 -9.231 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.087 -7.212 -9.181 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.898 -6.569 -10.516 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.128 -4.981 -9.691 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.498 -5.474 -9.589 1.00 0.00 C ATOM 1266 C ARG A 83 -3.626 -6.865 -10.206 1.00 0.00 C ATOM 1267 O ARG A 83 -3.879 -6.999 -11.403 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.460 -4.506 -10.282 1.00 0.00 C ATOM 1269 CG ARG A 83 -5.923 -4.777 -9.973 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.785 -4.685 -11.224 1.00 0.00 C ATOM 1271 NE ARG A 83 -8.136 -5.192 -10.996 1.00 0.00 N ATOM 1272 CZ ARG A 83 -9.097 -4.499 -10.391 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -8.861 -3.268 -9.955 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -10.297 -5.036 -10.224 1.00 0.00 N ATOM 0 H ARG A 83 -1.871 -4.639 -10.617 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.756 -5.542 -8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.216 -3.487 -9.981 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.308 -4.565 -11.360 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.025 -5.769 -9.532 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.278 -4.061 -9.232 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.838 -3.647 -11.552 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.317 -5.251 -12.029 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.356 -6.134 -11.320 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.940 -2.849 -10.083 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.601 -2.740 -9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.484 -5.981 -10.559 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.034 -4.504 -9.760 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.449 -7.922 -9.393 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.545 -9.306 -9.867 1.00 0.00 C ATOM 1290 C PRO A 84 -4.963 -9.686 -10.278 1.00 0.00 C ATOM 1291 O PRO A 84 -5.863 -8.845 -10.295 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.100 -10.133 -8.660 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.364 -9.261 -7.482 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.140 -7.851 -7.953 1.00 0.00 C ATOM 0 HA PRO A 84 -2.939 -9.469 -10.758 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.658 -11.067 -8.593 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.044 -10.396 -8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.383 -9.394 -7.119 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.696 -9.508 -6.656 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.791 -7.146 -7.436 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.115 -7.526 -7.777 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.851 1.866 9.945 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.810 0.940 9.521 1.00 0.00 C ATOM 1574 C GLN A 103 -6.409 1.483 9.776 1.00 0.00 C ATOM 1575 O GLN A 103 -6.237 2.566 10.332 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.982 0.656 8.034 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.324 0.036 7.695 1.00 0.00 C ATOM 1578 CD GLN A 103 -9.454 -1.389 8.196 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -8.460 -2.219 7.898 1.00 0.00 O flip ATOM 1580 NE2 GLN A 103 -10.439 -1.743 8.845 1.00 0.00 N flip ATOM 0 HA GLN A 103 -7.914 0.027 10.107 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.868 1.586 7.478 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.187 -0.012 7.704 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -10.119 0.643 8.128 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.464 0.051 6.614 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.180 -1.074 9.052 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -10.513 -2.705 9.175 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.410 0.716 9.341 1.00 0.00 N ATOM 1590 CA TYR A 104 -4.017 1.111 9.490 1.00 0.00 C ATOM 1591 C TYR A 104 -3.610 1.971 8.303 1.00 0.00 C ATOM 1592 O TYR A 104 -3.267 1.457 7.239 1.00 0.00 O ATOM 1593 CB TYR A 104 -3.119 -0.129 9.568 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.754 0.131 10.167 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.617 0.846 11.350 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.601 -0.348 9.555 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.372 1.076 11.906 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.647 -0.121 10.103 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.755 0.591 11.279 1.00 0.00 C ATOM 1600 OH TYR A 104 1.996 0.818 11.829 1.00 0.00 O ATOM 0 H TYR A 104 -5.544 -0.185 8.882 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.902 1.682 10.412 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.624 -0.893 10.160 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.992 -0.535 8.565 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.498 1.229 11.844 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.682 -0.908 8.635 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.283 1.633 12.827 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.532 -0.499 9.613 1.00 0.00 H new ATOM 0 HH TYR A 104 2.546 1.327 11.197 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.668 3.282 8.485 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.325 4.211 7.418 1.00 0.00 C ATOM 1612 C TRP A 105 -1.975 4.872 7.678 1.00 0.00 C ATOM 1613 O TRP A 105 -1.674 5.276 8.801 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.416 5.275 7.278 1.00 0.00 C ATOM 1615 CG TRP A 105 -5.810 4.726 7.370 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.544 4.522 8.504 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.640 4.296 6.284 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -7.780 4.029 8.187 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -7.860 3.872 6.833 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.477 4.233 4.902 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.900 3.397 6.047 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.522 3.751 4.133 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.713 3.343 4.713 1.00 0.00 C ATOM 0 H TRP A 105 -3.949 3.726 9.359 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.252 3.649 6.487 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.279 6.027 8.055 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.297 5.781 6.320 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.198 4.721 9.507 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.521 3.814 8.854 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.555 4.553 4.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.832 3.080 6.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.407 3.692 3.061 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.508 2.974 4.083 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.165 4.978 6.629 1.00 0.00 N ATOM 1635 CA VAL A 106 0.154 5.588 6.738 1.00 0.00 C ATOM 1636 C VAL A 106 0.056 7.110 6.786 1.00 0.00 C ATOM 1637 O VAL A 106 -1.068 7.624 6.964 1.00 0.00 O ATOM 1638 CB VAL A 106 1.061 5.179 5.563 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.329 3.682 5.592 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.437 5.591 4.239 1.00 0.00 C ATOM 1641 OXT VAL A 106 1.105 7.773 6.647 1.00 0.00 O ATOM 0 H VAL A 106 -1.400 4.649 5.693 1.00 0.00 H new ATOM 0 HA VAL A 106 0.593 5.227 7.668 1.00 0.00 H new ATOM 0 HB VAL A 106 2.014 5.697 5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.972 3.411 4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.822 3.419 6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.385 3.142 5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.092 5.294 3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.531 5.103 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.302 6.672 4.221 1.00 0.00 H new