USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 768 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 52 ASN : amide:sc= -1.58 K(o=-2.3,f=-8.1!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -176:sc= -0.768 (180deg=-0.107) USER MOD Set 2.1: A 38 MET CE :methyl 143:sc= -17.7! (180deg=-20.1!) USER MOD Set 2.2: A 42 GLN :FLIP amide:sc= -5.67! C(o=-31!,f=-23!) USER MOD Set 3.1: A 27 GLN :FLIP amide:sc= -3.12 F(o=-4.5!,f=-3.1) USER MOD Set 3.2: A 105 MET CE :methyl -153:sc= 0 (180deg=0) USER MOD Set 4.1: A 18 CYS SG : rot -42:sc= 0.988 USER MOD Set 4.2: A 23 THR OG1 : rot 165:sc= 0.899 USER MOD Set 5.1: A 16 GLN :FLIP amide:sc= -5.91! C(o=-15!,f=-13!) USER MOD Set 5.2: A 19 GLN : amide:sc= -6.64! C(o=-13!,f=-15!) USER MOD Single : A 3 THR OG1 : rot -28:sc= 0.112 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.582 F(o=-3.6,f=-0.58) USER MOD Single : A 32 THR OG1 : rot 91:sc= 0.0117 USER MOD Single : A 33 SER OG : rot -62:sc= -2.66 USER MOD Single : A 36 SER OG : rot -14:sc= 0.233 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.391 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -11.4! C(o=-13!,f=-11!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 148:sc= 0.0749 USER MOD Single : A 68 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.21) USER MOD Single : A 71 GLN :FLIP amide:sc= -2.09 F(o=-3.9,f=-2.1) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.235 USER MOD Single : A 80 SER OG : rot 138:sc= -2.37 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0733) USER MOD Single : A 84 SER OG : rot 93:sc= -0.298! USER MOD Single : A 86 MET CE :methyl 176:sc= -2.41 (180deg=-2.53) USER MOD Single : A 91 ASN :FLIP amide:sc= -4.15! C(o=-4.9!,f=-4.2!) USER MOD Single : A 96 LYS NZ :NH3+ 155:sc= -0.0764 (180deg=-0.418) USER MOD Single : A 103 GLN : amide:sc= -9.7! C(o=-9.7!,f=-18!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 3 5.862 -6.297 -8.246 1.00 0.00 N ATOM 34 CA THR A 3 6.766 -7.392 -8.562 1.00 0.00 C ATOM 35 C THR A 3 7.959 -6.899 -9.376 1.00 0.00 C ATOM 36 O THR A 3 8.960 -7.604 -9.501 1.00 0.00 O ATOM 37 CB THR A 3 6.048 -8.506 -9.342 1.00 0.00 C ATOM 38 OG1 THR A 3 5.422 -7.964 -10.511 1.00 0.00 O ATOM 39 CG2 THR A 3 5.005 -9.183 -8.468 1.00 0.00 C ATOM 0 HA THR A 3 7.119 -7.797 -7.614 1.00 0.00 H new ATOM 0 HB THR A 3 6.788 -9.247 -9.642 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.198 -7.023 -10.355 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.508 -9.968 -9.037 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.490 -9.619 -7.595 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.269 -8.447 -8.144 1.00 0.00 H new ATOM 47 N ASP A 4 7.846 -5.687 -9.943 1.00 0.00 N ATOM 48 CA ASP A 4 8.941 -5.087 -10.711 1.00 0.00 C ATOM 49 C ASP A 4 10.273 -5.349 -10.007 1.00 0.00 C ATOM 50 O ASP A 4 11.244 -5.781 -10.628 1.00 0.00 O ATOM 51 CB ASP A 4 8.715 -3.583 -10.880 1.00 0.00 C ATOM 52 CG ASP A 4 7.436 -3.273 -11.632 1.00 0.00 C ATOM 53 OD1 ASP A 4 7.470 -3.255 -12.881 1.00 0.00 O ATOM 54 OD2 ASP A 4 6.399 -3.049 -10.973 1.00 0.00 O ATOM 0 H ASP A 4 7.009 -5.107 -9.883 1.00 0.00 H new ATOM 0 HA ASP A 4 8.968 -5.543 -11.701 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.680 -3.111 -9.898 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.561 -3.149 -11.413 1.00 0.00 H new ATOM 59 N ILE A 5 10.304 -5.077 -8.702 1.00 0.00 N ATOM 60 CA ILE A 5 11.488 -5.342 -7.898 1.00 0.00 C ATOM 61 C ILE A 5 11.066 -5.860 -6.524 1.00 0.00 C ATOM 62 O ILE A 5 10.789 -5.082 -5.610 1.00 0.00 O ATOM 63 CB ILE A 5 12.312 -4.054 -7.713 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.403 -3.288 -9.033 1.00 0.00 C ATOM 65 CG2 ILE A 5 13.701 -4.370 -7.182 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.844 -1.854 -8.863 1.00 0.00 C ATOM 0 H ILE A 5 9.523 -4.674 -8.184 1.00 0.00 H new ATOM 0 HA ILE A 5 12.096 -6.087 -8.410 1.00 0.00 H new ATOM 0 HB ILE A 5 11.805 -3.426 -6.980 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.102 -3.800 -9.694 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.430 -3.306 -9.523 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.263 -3.444 -7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.617 -4.873 -6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.221 -5.020 -7.886 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.887 -1.369 -9.838 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.132 -1.327 -8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 5 13.831 -1.829 -8.401 1.00 0.00 H new ATOM 78 N LEU A 6 11.023 -7.182 -6.392 1.00 0.00 N ATOM 79 CA LEU A 6 10.644 -7.811 -5.130 1.00 0.00 C ATOM 80 C LEU A 6 10.791 -9.323 -5.162 1.00 0.00 C ATOM 81 O LEU A 6 10.934 -9.930 -6.223 1.00 0.00 O ATOM 82 CB LEU A 6 9.198 -7.469 -4.774 1.00 0.00 C ATOM 83 CG LEU A 6 9.037 -6.339 -3.765 1.00 0.00 C ATOM 84 CD1 LEU A 6 8.172 -5.239 -4.344 1.00 0.00 C ATOM 85 CD2 LEU A 6 8.452 -6.858 -2.460 1.00 0.00 C ATOM 0 H LEU A 6 11.245 -7.838 -7.141 1.00 0.00 H new ATOM 0 HA LEU A 6 11.326 -7.418 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.668 -7.199 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.716 -8.362 -4.378 1.00 0.00 H new ATOM 0 HG LEU A 6 10.022 -5.926 -3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.065 -4.438 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.639 -4.846 -5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.189 -5.640 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.346 -6.033 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.474 -7.300 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.116 -7.613 -2.038 1.00 0.00 H new ATOM 97 N SER A 7 10.752 -9.917 -3.978 1.00 0.00 N ATOM 98 CA SER A 7 10.770 -11.362 -3.847 1.00 0.00 C ATOM 99 C SER A 7 9.335 -11.839 -4.031 1.00 0.00 C ATOM 100 O SER A 7 8.467 -11.543 -3.209 1.00 0.00 O ATOM 101 CB SER A 7 11.300 -11.777 -2.480 1.00 0.00 C ATOM 102 OG SER A 7 12.662 -11.419 -2.327 1.00 0.00 O ATOM 0 H SER A 7 10.707 -9.415 -3.091 1.00 0.00 H new ATOM 0 HA SER A 7 11.429 -11.808 -4.592 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.707 -11.303 -1.698 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.188 -12.854 -2.356 1.00 0.00 H new ATOM 0 HG SER A 7 12.975 -11.696 -1.441 1.00 0.00 H new ATOM 108 N ALA A 8 9.084 -12.577 -5.101 1.00 0.00 N ATOM 109 CA ALA A 8 7.733 -13.028 -5.406 1.00 0.00 C ATOM 110 C ALA A 8 7.121 -13.858 -4.280 1.00 0.00 C ATOM 111 O ALA A 8 5.993 -13.602 -3.861 1.00 0.00 O ATOM 112 CB ALA A 8 7.716 -13.793 -6.718 1.00 0.00 C ATOM 0 H ALA A 8 9.793 -12.876 -5.770 1.00 0.00 H new ATOM 0 HA ALA A 8 7.111 -12.138 -5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.700 -14.124 -6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.064 -13.144 -7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.372 -14.660 -6.642 1.00 0.00 H new ATOM 118 N GLU A 9 7.854 -14.858 -3.791 1.00 0.00 N ATOM 119 CA GLU A 9 7.338 -15.718 -2.731 1.00 0.00 C ATOM 120 C GLU A 9 7.129 -14.941 -1.442 1.00 0.00 C ATOM 121 O GLU A 9 6.045 -14.964 -0.859 1.00 0.00 O ATOM 122 CB GLU A 9 8.305 -16.873 -2.485 1.00 0.00 C ATOM 123 CG GLU A 9 8.460 -17.785 -3.680 1.00 0.00 C ATOM 124 CD GLU A 9 7.181 -18.526 -4.019 1.00 0.00 C ATOM 125 OE1 GLU A 9 6.351 -17.966 -4.767 1.00 0.00 O ATOM 126 OE2 GLU A 9 7.008 -19.665 -3.537 1.00 0.00 O ATOM 0 H GLU A 9 8.795 -15.089 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 9 6.373 -16.109 -3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.281 -16.470 -2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.955 -17.457 -1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.774 -17.197 -4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.252 -18.507 -3.481 1.00 0.00 H new ATOM 133 N ASP A 10 8.174 -14.250 -1.000 1.00 0.00 N ATOM 134 CA ASP A 10 8.081 -13.444 0.205 1.00 0.00 C ATOM 135 C ASP A 10 6.914 -12.487 0.123 1.00 0.00 C ATOM 136 O ASP A 10 6.312 -12.155 1.136 1.00 0.00 O ATOM 137 CB ASP A 10 9.381 -12.681 0.437 1.00 0.00 C ATOM 138 CG ASP A 10 10.534 -13.595 0.800 1.00 0.00 C ATOM 139 OD1 ASP A 10 11.088 -14.243 -0.112 1.00 0.00 O ATOM 140 OD2 ASP A 10 10.885 -13.661 1.997 1.00 0.00 O ATOM 0 H ASP A 10 9.086 -14.233 -1.455 1.00 0.00 H new ATOM 0 HA ASP A 10 7.914 -14.112 1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.635 -12.121 -0.463 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.234 -11.953 1.235 1.00 0.00 H new ATOM 145 N ILE A 11 6.582 -12.059 -1.080 1.00 0.00 N ATOM 146 CA ILE A 11 5.464 -11.154 -1.265 1.00 0.00 C ATOM 147 C ILE A 11 4.171 -11.866 -0.859 1.00 0.00 C ATOM 148 O ILE A 11 3.353 -11.321 -0.118 1.00 0.00 O ATOM 149 CB ILE A 11 5.413 -10.653 -2.736 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.156 -9.321 -2.865 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.989 -10.512 -3.277 1.00 0.00 C ATOM 152 CD1 ILE A 11 6.192 -8.791 -4.283 1.00 0.00 C ATOM 0 H ILE A 11 7.067 -12.321 -1.938 1.00 0.00 H new ATOM 0 HA ILE A 11 5.586 -10.276 -0.631 1.00 0.00 H new ATOM 0 HB ILE A 11 5.904 -11.415 -3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.679 -8.583 -2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.177 -9.446 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.025 -10.159 -4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.489 -11.480 -3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.437 -9.797 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.733 -7.845 -4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.695 -9.511 -4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.174 -8.635 -4.639 1.00 0.00 H new ATOM 164 N ALA A 12 4.001 -13.089 -1.356 1.00 0.00 N ATOM 165 CA ALA A 12 2.817 -13.872 -1.042 1.00 0.00 C ATOM 166 C ALA A 12 2.687 -14.042 0.453 1.00 0.00 C ATOM 167 O ALA A 12 1.649 -13.743 1.022 1.00 0.00 O ATOM 168 CB ALA A 12 2.886 -15.229 -1.712 1.00 0.00 C ATOM 0 H ALA A 12 4.666 -13.554 -1.974 1.00 0.00 H new ATOM 0 HA ALA A 12 1.942 -13.341 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.992 -15.802 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.948 -15.099 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.768 -15.764 -1.360 1.00 0.00 H new ATOM 174 N ALA A 13 3.755 -14.504 1.088 1.00 0.00 N ATOM 175 CA ALA A 13 3.747 -14.683 2.533 1.00 0.00 C ATOM 176 C ALA A 13 3.578 -13.332 3.203 1.00 0.00 C ATOM 177 O ALA A 13 2.714 -13.139 4.058 1.00 0.00 O ATOM 178 CB ALA A 13 5.029 -15.350 3.000 1.00 0.00 C ATOM 0 H ALA A 13 4.630 -14.760 0.631 1.00 0.00 H new ATOM 0 HA ALA A 13 2.914 -15.331 2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.001 -15.474 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.125 -16.327 2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.882 -14.729 2.728 1.00 0.00 H new ATOM 184 N ALA A 14 4.430 -12.401 2.790 1.00 0.00 N ATOM 185 CA ALA A 14 4.391 -11.039 3.305 1.00 0.00 C ATOM 186 C ALA A 14 2.963 -10.516 3.269 1.00 0.00 C ATOM 187 O ALA A 14 2.486 -9.907 4.226 1.00 0.00 O ATOM 188 CB ALA A 14 5.300 -10.138 2.483 1.00 0.00 C ATOM 0 H ALA A 14 5.159 -12.567 2.096 1.00 0.00 H new ATOM 0 HA ALA A 14 4.744 -11.040 4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.261 -9.123 2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.324 -10.509 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.968 -10.135 1.445 1.00 0.00 H new ATOM 194 N LEU A 15 2.290 -10.761 2.154 1.00 0.00 N ATOM 195 CA LEU A 15 0.908 -10.352 1.994 1.00 0.00 C ATOM 196 C LEU A 15 -0.005 -11.239 2.831 1.00 0.00 C ATOM 197 O LEU A 15 -0.687 -10.776 3.736 1.00 0.00 O ATOM 198 CB LEU A 15 0.497 -10.444 0.523 1.00 0.00 C ATOM 199 CG LEU A 15 -0.804 -9.718 0.158 1.00 0.00 C ATOM 200 CD1 LEU A 15 -1.047 -9.769 -1.344 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.984 -10.312 0.910 1.00 0.00 C ATOM 0 H LEU A 15 2.683 -11.243 1.346 1.00 0.00 H new ATOM 0 HA LEU A 15 0.813 -9.320 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.303 -10.039 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.393 -11.496 0.257 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.702 -8.674 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.975 -9.248 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.218 -9.288 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.122 -10.808 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.895 -9.781 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.086 -11.366 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.818 -10.215 1.983 1.00 0.00 H new ATOM 213 N GLN A 16 0.040 -12.534 2.535 1.00 0.00 N ATOM 214 CA GLN A 16 -0.788 -13.553 3.175 1.00 0.00 C ATOM 215 C GLN A 16 -0.505 -13.773 4.658 1.00 0.00 C ATOM 216 O GLN A 16 -1.185 -14.579 5.293 1.00 0.00 O ATOM 217 CB GLN A 16 -0.559 -14.872 2.455 1.00 0.00 C ATOM 218 CG GLN A 16 -1.282 -15.002 1.120 1.00 0.00 C ATOM 219 CD GLN A 16 -1.886 -13.714 0.581 1.00 0.00 C ATOM 220 OE1 GLN A 16 -1.160 -13.042 -0.302 1.00 0.00 O flip ATOM 221 NE2 GLN A 16 -3.001 -13.341 0.942 1.00 0.00 N flip ATOM 0 H GLN A 16 0.668 -12.914 1.827 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.815 -13.195 3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.511 -14.998 2.287 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.878 -15.686 3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.581 -15.392 0.382 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.077 -15.740 1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.526 -13.888 1.624 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.401 -12.484 0.559 1.00 0.00 H new ATOM 230 N GLU A 17 0.473 -13.082 5.229 1.00 0.00 N ATOM 231 CA GLU A 17 0.821 -13.352 6.618 1.00 0.00 C ATOM 232 C GLU A 17 -0.323 -13.054 7.579 1.00 0.00 C ATOM 233 O GLU A 17 -0.987 -13.971 8.062 1.00 0.00 O ATOM 234 CB GLU A 17 2.047 -12.521 7.012 1.00 0.00 C ATOM 235 CG GLU A 17 2.395 -12.592 8.490 1.00 0.00 C ATOM 236 CD GLU A 17 3.554 -11.689 8.863 1.00 0.00 C ATOM 237 OE1 GLU A 17 3.328 -10.473 9.037 1.00 0.00 O ATOM 238 OE2 GLU A 17 4.689 -12.197 8.980 1.00 0.00 O ATOM 0 H GLU A 17 1.023 -12.355 4.772 1.00 0.00 H new ATOM 0 HA GLU A 17 1.040 -14.417 6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.905 -12.860 6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.870 -11.480 6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.520 -12.315 9.079 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.643 -13.621 8.752 1.00 0.00 H new ATOM 245 N CYS A 18 -0.557 -11.782 7.858 1.00 0.00 N ATOM 246 CA CYS A 18 -1.615 -11.358 8.767 1.00 0.00 C ATOM 247 C CYS A 18 -2.765 -10.668 8.037 1.00 0.00 C ATOM 248 O CYS A 18 -3.709 -10.209 8.678 1.00 0.00 O ATOM 249 CB CYS A 18 -1.043 -10.417 9.825 1.00 0.00 C ATOM 250 SG CYS A 18 -2.113 -10.175 11.262 1.00 0.00 S ATOM 0 H CYS A 18 -0.019 -11.012 7.461 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.016 -12.255 9.239 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.084 -10.809 10.163 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.847 -9.448 9.365 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.345 -10.045 10.869 1.00 0.00 H new ATOM 256 N GLN A 19 -2.704 -10.616 6.707 1.00 0.00 N ATOM 257 CA GLN A 19 -3.684 -9.845 5.939 1.00 0.00 C ATOM 258 C GLN A 19 -5.110 -10.044 6.431 1.00 0.00 C ATOM 259 O GLN A 19 -5.521 -11.136 6.818 1.00 0.00 O ATOM 260 CB GLN A 19 -3.602 -10.206 4.466 1.00 0.00 C ATOM 261 CG GLN A 19 -4.556 -9.422 3.583 1.00 0.00 C ATOM 262 CD GLN A 19 -4.586 -9.935 2.156 1.00 0.00 C ATOM 263 OE1 GLN A 19 -4.530 -11.141 1.918 1.00 0.00 O ATOM 264 NE2 GLN A 19 -4.644 -9.016 1.195 1.00 0.00 N ATOM 0 H GLN A 19 -1.998 -11.091 6.144 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.433 -8.794 6.082 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.582 -10.040 4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.809 -11.270 4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.560 -9.473 4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.264 -8.372 3.581 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.689 -8.026 1.438 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.643 -9.301 0.216 1.00 0.00 H new ATOM 273 N ASP A 20 -5.844 -8.936 6.391 1.00 0.00 N ATOM 274 CA ASP A 20 -7.227 -8.880 6.838 1.00 0.00 C ATOM 275 C ASP A 20 -7.707 -7.431 6.824 1.00 0.00 C ATOM 276 O ASP A 20 -6.918 -6.514 6.595 1.00 0.00 O ATOM 277 CB ASP A 20 -7.357 -9.464 8.246 1.00 0.00 C ATOM 278 CG ASP A 20 -8.154 -10.754 8.268 1.00 0.00 C ATOM 279 OD1 ASP A 20 -7.717 -11.735 7.631 1.00 0.00 O ATOM 280 OD2 ASP A 20 -9.218 -10.783 8.923 1.00 0.00 O ATOM 0 H ASP A 20 -5.490 -8.045 6.044 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.844 -9.472 6.162 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.363 -9.648 8.653 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.837 -8.733 8.896 1.00 0.00 H new ATOM 285 N PRO A 21 -9.003 -7.202 7.068 1.00 0.00 N ATOM 286 CA PRO A 21 -9.575 -5.862 7.097 1.00 0.00 C ATOM 287 C PRO A 21 -9.364 -5.164 8.437 1.00 0.00 C ATOM 288 O PRO A 21 -10.336 -4.787 9.082 1.00 0.00 O ATOM 289 CB PRO A 21 -11.053 -6.145 6.875 1.00 0.00 C ATOM 290 CG PRO A 21 -11.280 -7.442 7.550 1.00 0.00 C ATOM 291 CD PRO A 21 -10.028 -8.233 7.319 1.00 0.00 C ATOM 0 HA PRO A 21 -9.121 -5.195 6.364 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.677 -5.360 7.301 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.293 -6.201 5.813 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.467 -7.304 8.615 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.150 -7.953 7.137 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.776 -8.845 8.185 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.132 -8.909 6.470 1.00 0.00 H new ATOM 299 N ASP A 22 -8.093 -4.993 8.849 1.00 0.00 N ATOM 300 CA ASP A 22 -7.769 -4.333 10.134 1.00 0.00 C ATOM 301 C ASP A 22 -6.318 -4.569 10.611 1.00 0.00 C ATOM 302 O ASP A 22 -5.902 -3.968 11.602 1.00 0.00 O ATOM 303 CB ASP A 22 -8.730 -4.809 11.243 1.00 0.00 C ATOM 304 CG ASP A 22 -8.345 -4.318 12.629 1.00 0.00 C ATOM 305 OD1 ASP A 22 -7.466 -4.944 13.257 1.00 0.00 O ATOM 306 OD2 ASP A 22 -8.922 -3.308 13.084 1.00 0.00 O ATOM 0 H ASP A 22 -7.278 -5.299 8.317 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.883 -3.265 9.946 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.738 -4.466 11.011 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.757 -5.899 11.247 1.00 0.00 H new ATOM 311 N THR A 23 -5.542 -5.417 9.936 1.00 0.00 N ATOM 312 CA THR A 23 -4.177 -5.701 10.391 1.00 0.00 C ATOM 313 C THR A 23 -3.099 -4.868 9.701 1.00 0.00 C ATOM 314 O THR A 23 -2.065 -4.596 10.309 1.00 0.00 O ATOM 315 CB THR A 23 -3.828 -7.182 10.183 1.00 0.00 C ATOM 316 OG1 THR A 23 -2.480 -7.430 10.595 1.00 0.00 O ATOM 317 CG2 THR A 23 -3.999 -7.571 8.724 1.00 0.00 C ATOM 0 H THR A 23 -5.825 -5.911 9.090 1.00 0.00 H new ATOM 0 HA THR A 23 -4.180 -5.436 11.448 1.00 0.00 H new ATOM 0 HB THR A 23 -4.506 -7.785 10.787 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.337 -8.396 10.682 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.747 -8.624 8.596 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.033 -7.406 8.422 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.339 -6.962 8.105 1.00 0.00 H new ATOM 325 N PHE A 24 -3.334 -4.507 8.430 1.00 0.00 N ATOM 326 CA PHE A 24 -2.385 -3.722 7.615 1.00 0.00 C ATOM 327 C PHE A 24 -1.741 -4.636 6.607 1.00 0.00 C ATOM 328 O PHE A 24 -0.670 -5.200 6.829 1.00 0.00 O ATOM 329 CB PHE A 24 -1.314 -2.996 8.423 1.00 0.00 C ATOM 330 CG PHE A 24 -0.815 -1.753 7.749 1.00 0.00 C ATOM 331 CD1 PHE A 24 -0.245 -1.787 6.493 1.00 0.00 C ATOM 332 CD2 PHE A 24 -0.923 -0.548 8.386 1.00 0.00 C ATOM 333 CE1 PHE A 24 0.204 -0.619 5.894 1.00 0.00 C ATOM 334 CE2 PHE A 24 -0.479 0.618 7.806 1.00 0.00 C ATOM 335 CZ PHE A 24 0.086 0.582 6.554 1.00 0.00 C ATOM 0 H PHE A 24 -4.191 -4.751 7.933 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.962 -2.937 7.127 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.719 -2.735 9.401 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.476 -3.671 8.595 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.148 -2.729 5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.368 -0.510 9.369 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.646 -0.653 4.909 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.574 1.556 8.332 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.436 1.493 6.090 1.00 0.00 H new ATOM 345 N GLU A 25 -2.416 -4.764 5.500 1.00 0.00 N ATOM 346 CA GLU A 25 -1.991 -5.651 4.428 1.00 0.00 C ATOM 347 C GLU A 25 -0.815 -5.111 3.607 1.00 0.00 C ATOM 348 O GLU A 25 0.136 -5.839 3.327 1.00 0.00 O ATOM 349 CB GLU A 25 -3.170 -5.922 3.496 1.00 0.00 C ATOM 350 CG GLU A 25 -4.497 -6.094 4.210 1.00 0.00 C ATOM 351 CD GLU A 25 -5.633 -6.421 3.260 1.00 0.00 C ATOM 352 OE1 GLU A 25 -5.823 -5.670 2.279 1.00 0.00 O ATOM 353 OE2 GLU A 25 -6.335 -7.426 3.496 1.00 0.00 O ATOM 0 H GLU A 25 -3.281 -4.259 5.305 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.644 -6.567 4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.255 -5.099 2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.962 -6.822 2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.407 -6.889 4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.734 -5.179 4.753 1.00 0.00 H new ATOM 360 N PRO A 26 -0.861 -3.831 3.214 1.00 0.00 N ATOM 361 CA PRO A 26 0.177 -3.225 2.380 1.00 0.00 C ATOM 362 C PRO A 26 1.605 -3.355 2.925 1.00 0.00 C ATOM 363 O PRO A 26 2.473 -3.948 2.290 1.00 0.00 O ATOM 364 CB PRO A 26 -0.209 -1.748 2.319 1.00 0.00 C ATOM 365 CG PRO A 26 -1.591 -1.631 2.821 1.00 0.00 C ATOM 366 CD PRO A 26 -1.932 -2.884 3.556 1.00 0.00 C ATOM 0 HA PRO A 26 0.211 -3.734 1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.471 -1.149 2.924 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.139 -1.375 1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.683 -0.768 3.480 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.283 -1.476 1.994 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.977 -2.711 4.631 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.907 -3.266 3.254 1.00 0.00 H new ATOM 374 N GLN A 27 1.835 -2.794 4.102 1.00 0.00 N ATOM 375 CA GLN A 27 3.162 -2.770 4.720 1.00 0.00 C ATOM 376 C GLN A 27 3.767 -4.146 4.932 1.00 0.00 C ATOM 377 O GLN A 27 4.964 -4.329 4.735 1.00 0.00 O ATOM 378 CB GLN A 27 3.113 -2.050 6.065 1.00 0.00 C ATOM 379 CG GLN A 27 3.262 -0.546 5.971 1.00 0.00 C ATOM 380 CD GLN A 27 3.100 0.125 7.321 1.00 0.00 C ATOM 381 OE1 GLN A 27 2.615 1.359 7.315 1.00 0.00 O flip ATOM 382 NE2 GLN A 27 3.408 -0.461 8.358 1.00 0.00 N flip ATOM 0 H GLN A 27 1.111 -2.341 4.660 1.00 0.00 H new ATOM 0 HA GLN A 27 3.799 -2.238 4.014 1.00 0.00 H new ATOM 0 HB2 GLN A 27 2.166 -2.280 6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.904 -2.443 6.704 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.242 -0.304 5.561 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.520 -0.150 5.278 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.778 -1.411 8.317 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.294 0.003 9.259 1.00 0.00 H new ATOM 391 N LYS A 28 2.967 -5.107 5.345 1.00 0.00 N ATOM 392 CA LYS A 28 3.480 -6.424 5.587 1.00 0.00 C ATOM 393 C LYS A 28 3.992 -6.989 4.285 1.00 0.00 C ATOM 394 O LYS A 28 5.093 -7.532 4.210 1.00 0.00 O ATOM 395 CB LYS A 28 2.372 -7.285 6.165 1.00 0.00 C ATOM 396 CG LYS A 28 1.935 -6.866 7.554 1.00 0.00 C ATOM 397 CD LYS A 28 2.078 -8.004 8.545 1.00 0.00 C ATOM 398 CE LYS A 28 1.152 -7.803 9.723 1.00 0.00 C ATOM 399 NZ LYS A 28 1.657 -6.764 10.660 1.00 0.00 N ATOM 0 H LYS A 28 1.968 -4.995 5.517 1.00 0.00 H new ATOM 0 HA LYS A 28 4.302 -6.398 6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.511 -7.250 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.709 -8.321 6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.533 -6.016 7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.897 -6.534 7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.851 -8.951 8.055 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.109 -8.064 8.892 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.164 -7.516 9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.035 -8.746 10.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.992 -6.659 11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.588 -7.049 11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.744 -5.857 10.158 1.00 0.00 H new ATOM 413 N PHE A 29 3.176 -6.833 3.262 1.00 0.00 N ATOM 414 CA PHE A 29 3.516 -7.265 1.925 1.00 0.00 C ATOM 415 C PHE A 29 4.866 -6.679 1.525 1.00 0.00 C ATOM 416 O PHE A 29 5.799 -7.395 1.163 1.00 0.00 O ATOM 417 CB PHE A 29 2.420 -6.775 0.968 1.00 0.00 C ATOM 418 CG PHE A 29 2.658 -7.084 -0.484 1.00 0.00 C ATOM 419 CD1 PHE A 29 3.753 -6.572 -1.162 1.00 0.00 C ATOM 420 CD2 PHE A 29 1.777 -7.898 -1.169 1.00 0.00 C ATOM 421 CE1 PHE A 29 3.961 -6.875 -2.492 1.00 0.00 C ATOM 422 CE2 PHE A 29 1.976 -8.201 -2.499 1.00 0.00 C ATOM 423 CZ PHE A 29 3.071 -7.692 -3.160 1.00 0.00 C ATOM 0 H PHE A 29 2.255 -6.401 3.337 1.00 0.00 H new ATOM 0 HA PHE A 29 3.585 -8.352 1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.471 -7.221 1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.315 -5.696 1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.450 -5.930 -0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.918 -8.304 -0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.819 -6.473 -3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.275 -8.836 -3.021 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.234 -7.932 -4.200 1.00 0.00 H new ATOM 433 N PHE A 30 4.937 -5.354 1.597 1.00 0.00 N ATOM 434 CA PHE A 30 6.132 -4.611 1.226 1.00 0.00 C ATOM 435 C PHE A 30 7.302 -4.887 2.159 1.00 0.00 C ATOM 436 O PHE A 30 8.351 -5.360 1.743 1.00 0.00 O ATOM 437 CB PHE A 30 5.840 -3.111 1.260 1.00 0.00 C ATOM 438 CG PHE A 30 4.498 -2.736 0.711 1.00 0.00 C ATOM 439 CD1 PHE A 30 4.015 -3.331 -0.438 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.718 -1.785 1.352 1.00 0.00 C ATOM 441 CE1 PHE A 30 2.775 -2.985 -0.941 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.479 -1.436 0.854 1.00 0.00 C ATOM 443 CZ PHE A 30 2.007 -2.036 -0.294 1.00 0.00 C ATOM 0 H PHE A 30 4.166 -4.766 1.915 1.00 0.00 H new ATOM 0 HA PHE A 30 6.406 -4.937 0.223 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.910 -2.762 2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.611 -2.589 0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.611 -4.073 -0.948 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.084 -1.312 2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.406 -3.457 -1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.881 -0.695 1.362 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.038 -1.765 -0.687 1.00 0.00 H new ATOM 453 N GLN A 31 7.080 -4.620 3.434 1.00 0.00 N ATOM 454 CA GLN A 31 8.115 -4.750 4.456 1.00 0.00 C ATOM 455 C GLN A 31 8.735 -6.131 4.514 1.00 0.00 C ATOM 456 O GLN A 31 9.920 -6.302 4.230 1.00 0.00 O ATOM 457 CB GLN A 31 7.524 -4.407 5.824 1.00 0.00 C ATOM 458 CG GLN A 31 8.568 -4.100 6.886 1.00 0.00 C ATOM 459 CD GLN A 31 8.925 -2.625 6.957 1.00 0.00 C ATOM 460 OE1 GLN A 31 8.832 -1.927 5.827 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 9.280 -2.115 8.021 1.00 0.00 N flip ATOM 0 H GLN A 31 6.179 -4.307 3.794 1.00 0.00 H new ATOM 0 HA GLN A 31 8.911 -4.056 4.186 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.863 -3.546 5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.909 -5.241 6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.197 -4.426 7.858 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.469 -4.677 6.679 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.338 -2.685 8.865 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.515 -1.123 8.058 1.00 0.00 H new ATOM 470 N THR A 32 7.938 -7.110 4.880 1.00 0.00 N ATOM 471 CA THR A 32 8.430 -8.472 5.006 1.00 0.00 C ATOM 472 C THR A 32 9.267 -8.882 3.796 1.00 0.00 C ATOM 473 O THR A 32 10.431 -9.257 3.933 1.00 0.00 O ATOM 474 CB THR A 32 7.268 -9.467 5.192 1.00 0.00 C ATOM 475 OG1 THR A 32 6.550 -9.161 6.394 1.00 0.00 O ATOM 476 CG2 THR A 32 7.772 -10.903 5.252 1.00 0.00 C ATOM 0 H THR A 32 6.948 -6.993 5.096 1.00 0.00 H new ATOM 0 HA THR A 32 9.066 -8.499 5.891 1.00 0.00 H new ATOM 0 HB THR A 32 6.605 -9.372 4.332 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.822 -8.538 6.190 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.928 -11.580 5.384 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.290 -11.146 4.324 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.459 -11.013 6.091 1.00 0.00 H new ATOM 484 N SER A 33 8.667 -8.808 2.616 1.00 0.00 N ATOM 485 CA SER A 33 9.346 -9.202 1.390 1.00 0.00 C ATOM 486 C SER A 33 10.308 -8.147 0.838 1.00 0.00 C ATOM 487 O SER A 33 11.511 -8.386 0.742 1.00 0.00 O ATOM 488 CB SER A 33 8.321 -9.594 0.326 1.00 0.00 C ATOM 489 OG SER A 33 8.956 -10.115 -0.829 1.00 0.00 O ATOM 0 H SER A 33 7.711 -8.479 2.482 1.00 0.00 H new ATOM 0 HA SER A 33 9.966 -10.060 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.635 -10.337 0.734 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.723 -8.724 0.055 1.00 0.00 H new ATOM 0 HG SER A 33 9.529 -9.426 -1.226 1.00 0.00 H new ATOM 495 N GLY A 34 9.776 -6.979 0.474 1.00 0.00 N ATOM 496 CA GLY A 34 10.608 -5.983 -0.170 1.00 0.00 C ATOM 497 C GLY A 34 11.153 -4.814 0.655 1.00 0.00 C ATOM 498 O GLY A 34 12.360 -4.740 0.892 1.00 0.00 O ATOM 0 H GLY A 34 8.801 -6.712 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.462 -6.502 -0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.035 -5.562 -0.996 1.00 0.00 H new ATOM 502 N LEU A 35 10.265 -3.917 1.112 1.00 0.00 N ATOM 503 CA LEU A 35 10.651 -2.669 1.799 1.00 0.00 C ATOM 504 C LEU A 35 11.903 -2.805 2.664 1.00 0.00 C ATOM 505 O LEU A 35 12.734 -1.897 2.693 1.00 0.00 O ATOM 506 CB LEU A 35 9.480 -2.175 2.648 1.00 0.00 C ATOM 507 CG LEU A 35 8.913 -0.805 2.256 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.660 -0.727 0.758 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.632 -0.521 3.026 1.00 0.00 C ATOM 0 H LEU A 35 9.256 -4.035 1.016 1.00 0.00 H new ATOM 0 HA LEU A 35 10.897 -1.945 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.678 -2.911 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.801 -2.132 3.689 1.00 0.00 H new ATOM 0 HG LEU A 35 9.652 -0.047 2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.258 0.255 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.596 -0.883 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.944 -1.496 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.242 0.455 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.893 -1.289 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.842 -0.525 4.096 1.00 0.00 H new ATOM 521 N SER A 36 12.024 -3.921 3.373 1.00 0.00 N ATOM 522 CA SER A 36 13.178 -4.172 4.251 1.00 0.00 C ATOM 523 C SER A 36 14.489 -3.562 3.725 1.00 0.00 C ATOM 524 O SER A 36 15.335 -3.143 4.516 1.00 0.00 O ATOM 525 CB SER A 36 13.360 -5.678 4.453 1.00 0.00 C ATOM 526 OG SER A 36 13.534 -6.341 3.213 1.00 0.00 O ATOM 0 H SER A 36 11.337 -4.675 3.362 1.00 0.00 H new ATOM 0 HA SER A 36 12.958 -3.682 5.199 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.225 -5.861 5.091 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.491 -6.087 4.969 1.00 0.00 H new ATOM 0 HG SER A 36 13.277 -5.741 2.482 1.00 0.00 H new ATOM 532 N LYS A 37 14.664 -3.511 2.404 1.00 0.00 N ATOM 533 CA LYS A 37 15.891 -2.937 1.828 1.00 0.00 C ATOM 534 C LYS A 37 15.641 -2.030 0.614 1.00 0.00 C ATOM 535 O LYS A 37 16.508 -1.238 0.241 1.00 0.00 O ATOM 536 CB LYS A 37 16.851 -4.052 1.439 1.00 0.00 C ATOM 537 CG LYS A 37 16.187 -5.220 0.749 1.00 0.00 C ATOM 538 CD LYS A 37 17.222 -6.218 0.270 1.00 0.00 C ATOM 539 CE LYS A 37 16.581 -7.517 -0.193 1.00 0.00 C ATOM 540 NZ LYS A 37 17.588 -8.467 -0.744 1.00 0.00 N ATOM 0 H LYS A 37 13.989 -3.852 1.720 1.00 0.00 H new ATOM 0 HA LYS A 37 16.324 -2.306 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.619 -3.644 0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.356 -4.412 2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.494 -5.708 1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.600 -4.863 -0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.795 -5.783 -0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.926 -6.427 1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.061 -7.984 0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.831 -7.301 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.112 -9.340 -1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.067 -8.032 -1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.289 -8.693 -0.010 1.00 0.00 H new ATOM 554 N MET A 38 14.470 -2.149 0.003 1.00 0.00 N ATOM 555 CA MET A 38 14.108 -1.355 -1.181 1.00 0.00 C ATOM 556 C MET A 38 14.634 0.068 -1.132 1.00 0.00 C ATOM 557 O MET A 38 14.470 0.771 -0.135 1.00 0.00 O ATOM 558 CB MET A 38 12.593 -1.260 -1.332 1.00 0.00 C ATOM 559 CG MET A 38 11.868 -2.562 -1.143 1.00 0.00 C ATOM 560 SD MET A 38 10.103 -2.399 -1.394 1.00 0.00 S ATOM 561 CE MET A 38 9.835 -3.728 -2.541 1.00 0.00 C ATOM 0 H MET A 38 13.741 -2.794 0.307 1.00 0.00 H new ATOM 0 HA MET A 38 14.564 -1.879 -2.021 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.213 -0.538 -0.609 1.00 0.00 H new ATOM 0 HB3 MET A 38 12.363 -0.870 -2.324 1.00 0.00 H new ATOM 0 HG2 MET A 38 12.265 -3.301 -1.839 1.00 0.00 H new ATOM 0 HG3 MET A 38 12.057 -2.938 -0.137 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.878 -4.204 -2.329 1.00 0.00 H new ATOM 0 HE2 MET A 38 9.828 -3.335 -3.558 1.00 0.00 H new ATOM 0 HE3 MET A 38 10.635 -4.462 -2.441 1.00 0.00 H new ATOM 571 N SER A 39 15.267 0.483 -2.219 1.00 0.00 N ATOM 572 CA SER A 39 15.746 1.844 -2.323 1.00 0.00 C ATOM 573 C SER A 39 14.554 2.767 -2.486 1.00 0.00 C ATOM 574 O SER A 39 13.447 2.312 -2.774 1.00 0.00 O ATOM 575 CB SER A 39 16.691 2.013 -3.509 1.00 0.00 C ATOM 576 OG SER A 39 16.747 3.367 -3.927 1.00 0.00 O ATOM 0 H SER A 39 15.458 -0.101 -3.033 1.00 0.00 H new ATOM 0 HA SER A 39 16.301 2.091 -1.418 1.00 0.00 H new ATOM 0 HB2 SER A 39 17.689 1.672 -3.234 1.00 0.00 H new ATOM 0 HB3 SER A 39 16.357 1.387 -4.336 1.00 0.00 H new ATOM 0 HG SER A 39 17.360 3.450 -4.687 1.00 0.00 H new ATOM 582 N ALA A 40 14.768 4.050 -2.304 1.00 0.00 N ATOM 583 CA ALA A 40 13.675 4.999 -2.443 1.00 0.00 C ATOM 584 C ALA A 40 13.055 4.888 -3.831 1.00 0.00 C ATOM 585 O ALA A 40 11.833 4.873 -3.985 1.00 0.00 O ATOM 586 CB ALA A 40 14.147 6.420 -2.171 1.00 0.00 C ATOM 0 H ALA A 40 15.670 4.460 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 40 12.913 4.757 -1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.310 7.109 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.539 6.485 -1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.931 6.685 -2.880 1.00 0.00 H new ATOM 592 N SER A 41 13.921 4.803 -4.839 1.00 0.00 N ATOM 593 CA SER A 41 13.500 4.705 -6.231 1.00 0.00 C ATOM 594 C SER A 41 12.551 3.537 -6.486 1.00 0.00 C ATOM 595 O SER A 41 11.448 3.733 -6.996 1.00 0.00 O ATOM 596 CB SER A 41 14.725 4.567 -7.134 1.00 0.00 C ATOM 597 OG SER A 41 15.444 5.785 -7.210 1.00 0.00 O ATOM 0 H SER A 41 14.933 4.800 -4.712 1.00 0.00 H new ATOM 0 HA SER A 41 12.955 5.621 -6.460 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.376 3.781 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.412 4.263 -8.133 1.00 0.00 H new ATOM 0 HG SER A 41 16.224 5.669 -7.792 1.00 0.00 H new ATOM 603 N GLN A 42 12.971 2.325 -6.134 1.00 0.00 N ATOM 604 CA GLN A 42 12.136 1.153 -6.377 1.00 0.00 C ATOM 605 C GLN A 42 10.850 1.235 -5.578 1.00 0.00 C ATOM 606 O GLN A 42 9.817 0.721 -5.993 1.00 0.00 O ATOM 607 CB GLN A 42 12.882 -0.148 -6.072 1.00 0.00 C ATOM 608 CG GLN A 42 13.043 -0.463 -4.597 1.00 0.00 C ATOM 609 CD GLN A 42 13.062 -1.958 -4.347 1.00 0.00 C ATOM 610 OE1 GLN A 42 11.936 -2.505 -3.896 1.00 0.00 O flip ATOM 611 NE2 GLN A 42 14.088 -2.612 -4.529 1.00 0.00 N flip ATOM 0 H GLN A 42 13.867 2.130 -5.688 1.00 0.00 H new ATOM 0 HA GLN A 42 11.885 1.145 -7.438 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.353 -0.973 -6.549 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.871 -0.098 -6.528 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.968 -0.020 -4.228 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.226 -0.010 -4.036 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.930 -2.153 -4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.096 -3.613 -4.333 1.00 0.00 H new ATOM 620 N VAL A 43 10.915 1.909 -4.445 1.00 0.00 N ATOM 621 CA VAL A 43 9.739 2.059 -3.611 1.00 0.00 C ATOM 622 C VAL A 43 8.638 2.749 -4.411 1.00 0.00 C ATOM 623 O VAL A 43 7.464 2.401 -4.290 1.00 0.00 O ATOM 624 CB VAL A 43 10.048 2.819 -2.310 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.772 3.112 -1.532 1.00 0.00 C ATOM 626 CG2 VAL A 43 11.011 1.995 -1.466 1.00 0.00 C ATOM 0 H VAL A 43 11.758 2.356 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 43 9.397 1.068 -3.313 1.00 0.00 H new ATOM 0 HB VAL A 43 10.509 3.775 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.019 3.650 -0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.106 3.721 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.277 2.175 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.234 2.529 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.556 1.034 -1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.934 1.832 -2.022 1.00 0.00 H new ATOM 636 N LYS A 44 9.021 3.730 -5.230 1.00 0.00 N ATOM 637 CA LYS A 44 8.060 4.416 -6.087 1.00 0.00 C ATOM 638 C LYS A 44 7.240 3.406 -6.873 1.00 0.00 C ATOM 639 O LYS A 44 6.010 3.455 -6.883 1.00 0.00 O ATOM 640 CB LYS A 44 8.784 5.333 -7.066 1.00 0.00 C ATOM 641 CG LYS A 44 9.577 6.425 -6.386 1.00 0.00 C ATOM 642 CD LYS A 44 10.233 7.353 -7.381 1.00 0.00 C ATOM 643 CE LYS A 44 11.070 6.582 -8.377 1.00 0.00 C ATOM 644 NZ LYS A 44 12.099 7.441 -9.026 1.00 0.00 N ATOM 0 H LYS A 44 9.981 4.063 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 44 7.401 5.008 -5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.456 4.736 -7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.054 5.787 -7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.918 6.999 -5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.341 5.976 -5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.469 7.924 -7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.860 8.072 -6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.559 5.750 -7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.421 6.154 -9.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.650 6.873 -9.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.632 8.221 -9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.735 7.829 -8.300 1.00 0.00 H new ATOM 658 N ASP A 45 7.937 2.485 -7.530 1.00 0.00 N ATOM 659 CA ASP A 45 7.279 1.457 -8.313 1.00 0.00 C ATOM 660 C ASP A 45 6.364 0.646 -7.410 1.00 0.00 C ATOM 661 O ASP A 45 5.246 0.297 -7.783 1.00 0.00 O ATOM 662 CB ASP A 45 8.311 0.541 -8.975 1.00 0.00 C ATOM 663 CG ASP A 45 8.083 0.394 -10.467 1.00 0.00 C ATOM 664 OD1 ASP A 45 8.642 1.205 -11.235 1.00 0.00 O ATOM 665 OD2 ASP A 45 7.348 -0.534 -10.868 1.00 0.00 O ATOM 0 H ASP A 45 8.956 2.433 -7.533 1.00 0.00 H new ATOM 0 HA ASP A 45 6.690 1.931 -9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.311 0.939 -8.801 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.273 -0.442 -8.506 1.00 0.00 H new ATOM 670 N ILE A 46 6.861 0.347 -6.217 1.00 0.00 N ATOM 671 CA ILE A 46 6.102 -0.391 -5.232 1.00 0.00 C ATOM 672 C ILE A 46 4.796 0.340 -4.935 1.00 0.00 C ATOM 673 O ILE A 46 3.722 -0.257 -4.970 1.00 0.00 O ATOM 674 CB ILE A 46 6.971 -0.602 -3.967 1.00 0.00 C ATOM 675 CG1 ILE A 46 7.831 -1.856 -4.131 1.00 0.00 C ATOM 676 CG2 ILE A 46 6.141 -0.695 -2.693 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.419 -2.053 -5.510 1.00 0.00 C ATOM 0 H ILE A 46 7.798 0.610 -5.912 1.00 0.00 H new ATOM 0 HA ILE A 46 5.836 -1.377 -5.613 1.00 0.00 H new ATOM 0 HB ILE A 46 7.611 0.275 -3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.645 -1.817 -3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.226 -2.728 -3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.801 -0.843 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.575 0.227 -2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.452 -1.536 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.012 -2.968 -5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.614 -2.129 -6.241 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.056 -1.204 -5.759 1.00 0.00 H new ATOM 689 N PHE A 47 4.896 1.631 -4.628 1.00 0.00 N ATOM 690 CA PHE A 47 3.716 2.453 -4.362 1.00 0.00 C ATOM 691 C PHE A 47 2.618 2.183 -5.380 1.00 0.00 C ATOM 692 O PHE A 47 1.430 2.288 -5.078 1.00 0.00 O ATOM 693 CB PHE A 47 4.093 3.928 -4.422 1.00 0.00 C ATOM 694 CG PHE A 47 2.974 4.845 -4.031 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.205 4.577 -2.914 1.00 0.00 C ATOM 696 CD2 PHE A 47 2.687 5.969 -4.785 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.172 5.414 -2.554 1.00 0.00 C ATOM 698 CE2 PHE A 47 1.653 6.812 -4.427 1.00 0.00 C ATOM 699 CZ PHE A 47 0.897 6.534 -3.309 1.00 0.00 C ATOM 0 H PHE A 47 5.782 2.132 -4.557 1.00 0.00 H new ATOM 0 HA PHE A 47 3.345 2.198 -3.369 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.944 4.105 -3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.416 4.172 -5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.416 3.702 -2.317 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.277 6.189 -5.662 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.577 5.193 -1.680 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.438 7.687 -5.022 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.090 7.193 -3.025 1.00 0.00 H new ATOM 709 N ARG A 48 3.036 1.835 -6.587 1.00 0.00 N ATOM 710 CA ARG A 48 2.098 1.550 -7.664 1.00 0.00 C ATOM 711 C ARG A 48 1.137 0.440 -7.255 1.00 0.00 C ATOM 712 O ARG A 48 0.013 0.367 -7.750 1.00 0.00 O ATOM 713 CB ARG A 48 2.844 1.158 -8.939 1.00 0.00 C ATOM 714 CG ARG A 48 3.907 2.164 -9.354 1.00 0.00 C ATOM 715 CD ARG A 48 3.306 3.538 -9.610 1.00 0.00 C ATOM 716 NE ARG A 48 4.311 4.497 -10.061 1.00 0.00 N ATOM 717 CZ ARG A 48 4.725 4.593 -11.321 1.00 0.00 C ATOM 718 NH1 ARG A 48 4.236 3.779 -12.245 1.00 0.00 N ATOM 719 NH2 ARG A 48 5.631 5.501 -11.655 1.00 0.00 N ATOM 0 H ARG A 48 4.018 1.743 -6.846 1.00 0.00 H new ATOM 0 HA ARG A 48 1.523 2.454 -7.863 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.313 0.185 -8.791 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.125 1.045 -9.751 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.665 2.237 -8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.410 1.812 -10.255 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.520 3.456 -10.361 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.838 3.905 -8.697 1.00 0.00 H new ATOM 0 HE ARG A 48 4.718 5.128 -9.371 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.541 3.077 -11.990 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.555 3.854 -13.211 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.011 6.127 -10.945 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.948 5.574 -12.622 1.00 0.00 H new ATOM 733 N PHE A 49 1.588 -0.426 -6.347 1.00 0.00 N ATOM 734 CA PHE A 49 0.757 -1.524 -5.863 1.00 0.00 C ATOM 735 C PHE A 49 -0.600 -0.992 -5.414 1.00 0.00 C ATOM 736 O PHE A 49 -1.630 -1.368 -5.974 1.00 0.00 O ATOM 737 CB PHE A 49 1.470 -2.278 -4.735 1.00 0.00 C ATOM 738 CG PHE A 49 0.604 -3.275 -4.014 1.00 0.00 C ATOM 739 CD1 PHE A 49 0.411 -4.540 -4.542 1.00 0.00 C ATOM 740 CD2 PHE A 49 -0.005 -2.957 -2.809 1.00 0.00 C ATOM 741 CE1 PHE A 49 -0.374 -5.469 -3.887 1.00 0.00 C ATOM 742 CE2 PHE A 49 -0.789 -3.883 -2.148 1.00 0.00 C ATOM 743 CZ PHE A 49 -0.974 -5.141 -2.687 1.00 0.00 C ATOM 0 H PHE A 49 2.520 -0.387 -5.935 1.00 0.00 H new ATOM 0 HA PHE A 49 0.589 -2.232 -6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.334 -2.797 -5.150 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.850 -1.555 -4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.880 -4.804 -5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.135 -1.975 -2.383 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.518 -6.451 -4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.257 -3.623 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.586 -5.866 -2.172 1.00 0.00 H new ATOM 753 N ILE A 50 -0.612 -0.116 -4.409 1.00 0.00 N ATOM 754 CA ILE A 50 -1.864 0.472 -3.960 1.00 0.00 C ATOM 755 C ILE A 50 -2.422 1.386 -5.063 1.00 0.00 C ATOM 756 O ILE A 50 -2.461 0.978 -6.223 1.00 0.00 O ATOM 757 CB ILE A 50 -1.722 1.228 -2.611 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.480 2.120 -2.588 1.00 0.00 C ATOM 759 CG2 ILE A 50 -1.702 0.260 -1.448 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.381 2.965 -1.335 1.00 0.00 C ATOM 0 H ILE A 50 0.217 0.195 -3.902 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.569 -0.338 -3.772 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.594 1.874 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.410 1.496 -2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.493 2.774 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.602 0.814 -0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.631 -0.310 -1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.859 -0.422 -1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.521 3.576 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.255 3.613 -1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.338 2.316 -0.461 1.00 0.00 H new ATOM 772 N ASP A 51 -2.853 2.606 -4.736 1.00 0.00 N ATOM 773 CA ASP A 51 -3.386 3.496 -5.748 1.00 0.00 C ATOM 774 C ASP A 51 -2.247 4.170 -6.514 1.00 0.00 C ATOM 775 O ASP A 51 -1.220 4.534 -5.940 1.00 0.00 O ATOM 776 CB ASP A 51 -4.331 4.512 -5.100 1.00 0.00 C ATOM 777 CG ASP A 51 -5.672 3.892 -4.758 1.00 0.00 C ATOM 778 OD1 ASP A 51 -6.457 3.626 -5.691 1.00 0.00 O ATOM 779 OD2 ASP A 51 -5.937 3.674 -3.557 1.00 0.00 O ATOM 0 H ASP A 51 -2.841 2.989 -3.791 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.965 2.924 -6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.872 4.910 -4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.481 5.353 -5.777 1.00 0.00 H new ATOM 784 N ASN A 52 -2.445 4.323 -7.821 1.00 0.00 N ATOM 785 CA ASN A 52 -1.431 4.909 -8.696 1.00 0.00 C ATOM 786 C ASN A 52 -1.277 6.402 -8.447 1.00 0.00 C ATOM 787 O ASN A 52 -0.163 6.921 -8.392 1.00 0.00 O ATOM 788 CB ASN A 52 -1.792 4.663 -10.162 1.00 0.00 C ATOM 789 CG ASN A 52 -3.027 5.425 -10.589 1.00 0.00 C ATOM 790 OD1 ASN A 52 -4.154 5.023 -10.302 1.00 0.00 O ATOM 791 ND2 ASN A 52 -2.813 6.522 -11.293 1.00 0.00 N ATOM 0 H ASN A 52 -3.303 4.048 -8.300 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.480 4.427 -8.471 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.953 4.954 -10.794 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.954 3.597 -10.319 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.602 7.077 -11.624 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.859 6.814 -11.505 1.00 0.00 H new ATOM 798 N ASP A 53 -2.402 7.078 -8.294 1.00 0.00 N ATOM 799 CA ASP A 53 -2.423 8.512 -8.046 1.00 0.00 C ATOM 800 C ASP A 53 -3.850 8.965 -7.813 1.00 0.00 C ATOM 801 O ASP A 53 -4.138 9.704 -6.872 1.00 0.00 O ATOM 802 CB ASP A 53 -1.826 9.282 -9.225 1.00 0.00 C ATOM 803 CG ASP A 53 -0.329 9.488 -9.096 1.00 0.00 C ATOM 804 OD1 ASP A 53 0.084 10.341 -8.282 1.00 0.00 O ATOM 805 OD2 ASP A 53 0.430 8.798 -9.809 1.00 0.00 O ATOM 0 H ASP A 53 -3.327 6.650 -8.338 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.820 8.717 -7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.035 8.742 -10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.316 10.252 -9.305 1.00 0.00 H new ATOM 810 N GLN A 54 -4.742 8.493 -8.676 1.00 0.00 N ATOM 811 CA GLN A 54 -6.159 8.811 -8.597 1.00 0.00 C ATOM 812 C GLN A 54 -6.434 10.293 -8.848 1.00 0.00 C ATOM 813 O GLN A 54 -7.187 10.646 -9.755 1.00 0.00 O ATOM 814 CB GLN A 54 -6.694 8.363 -7.241 1.00 0.00 C ATOM 815 CG GLN A 54 -6.088 7.040 -6.783 1.00 0.00 C ATOM 816 CD GLN A 54 -6.869 6.369 -5.676 1.00 0.00 C ATOM 817 OE1 GLN A 54 -6.484 6.633 -4.434 1.00 0.00 O flip ATOM 818 NE2 GLN A 54 -7.807 5.613 -5.932 1.00 0.00 N flip ATOM 0 H GLN A 54 -4.500 7.877 -9.452 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.682 8.272 -9.387 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.483 9.132 -6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.778 8.263 -7.297 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.027 6.363 -7.635 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.068 7.216 -6.442 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.070 5.437 -6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.320 5.163 -5.174 1.00 0.00 H new ATOM 827 N SER A 55 -5.822 11.154 -8.047 1.00 0.00 N ATOM 828 CA SER A 55 -5.998 12.590 -8.192 1.00 0.00 C ATOM 829 C SER A 55 -4.773 13.333 -7.675 1.00 0.00 C ATOM 830 O SER A 55 -4.894 14.368 -7.021 1.00 0.00 O ATOM 831 CB SER A 55 -7.248 13.054 -7.442 1.00 0.00 C ATOM 832 OG SER A 55 -7.257 12.565 -6.112 1.00 0.00 O ATOM 0 H SER A 55 -5.198 10.881 -7.288 1.00 0.00 H new ATOM 0 HA SER A 55 -6.121 12.814 -9.252 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.286 14.143 -7.432 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.139 12.708 -7.966 1.00 0.00 H new ATOM 0 HG SER A 55 -8.065 12.877 -5.654 1.00 0.00 H new ATOM 838 N GLY A 56 -3.591 12.801 -7.973 1.00 0.00 N ATOM 839 CA GLY A 56 -2.367 13.431 -7.513 1.00 0.00 C ATOM 840 C GLY A 56 -1.848 12.803 -6.236 1.00 0.00 C ATOM 841 O GLY A 56 -0.665 12.905 -5.913 1.00 0.00 O ATOM 0 H GLY A 56 -3.459 11.951 -8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.606 13.354 -8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.547 14.493 -7.347 1.00 0.00 H new ATOM 845 N TYR A 57 -2.749 12.155 -5.513 1.00 0.00 N ATOM 846 CA TYR A 57 -2.422 11.512 -4.247 1.00 0.00 C ATOM 847 C TYR A 57 -3.525 10.531 -3.891 1.00 0.00 C ATOM 848 O TYR A 57 -4.602 10.562 -4.484 1.00 0.00 O ATOM 849 CB TYR A 57 -2.294 12.553 -3.115 1.00 0.00 C ATOM 850 CG TYR A 57 -2.579 13.967 -3.543 1.00 0.00 C ATOM 851 CD1 TYR A 57 -3.881 14.378 -3.673 1.00 0.00 C ATOM 852 CD2 TYR A 57 -1.563 14.867 -3.835 1.00 0.00 C ATOM 853 CE1 TYR A 57 -4.191 15.658 -4.085 1.00 0.00 C ATOM 854 CE2 TYR A 57 -1.855 16.154 -4.243 1.00 0.00 C ATOM 855 CZ TYR A 57 -3.173 16.546 -4.368 1.00 0.00 C ATOM 856 OH TYR A 57 -3.472 17.825 -4.778 1.00 0.00 O ATOM 0 H TYR A 57 -3.727 12.060 -5.786 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.468 10.996 -4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.978 12.284 -2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.285 12.506 -2.705 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.679 13.686 -3.448 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.533 14.557 -3.742 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.222 15.963 -4.185 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.058 16.849 -4.463 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.641 18.321 -4.935 1.00 0.00 H new ATOM 866 N LEU A 58 -3.263 9.665 -2.931 1.00 0.00 N ATOM 867 CA LEU A 58 -4.283 8.727 -2.504 1.00 0.00 C ATOM 868 C LEU A 58 -4.886 9.247 -1.210 1.00 0.00 C ATOM 869 O LEU A 58 -4.217 9.941 -0.450 1.00 0.00 O ATOM 870 CB LEU A 58 -3.702 7.325 -2.322 1.00 0.00 C ATOM 871 CG LEU A 58 -2.474 7.016 -3.186 1.00 0.00 C ATOM 872 CD1 LEU A 58 -1.867 5.671 -2.811 1.00 0.00 C ATOM 873 CD2 LEU A 58 -2.842 7.044 -4.659 1.00 0.00 C ATOM 0 H LEU A 58 -2.372 9.591 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.057 8.646 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.433 7.193 -1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.479 6.594 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.725 7.786 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.998 5.476 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.562 5.688 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.606 4.884 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.959 6.823 -5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.611 6.297 -4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.220 8.032 -4.921 1.00 0.00 H new ATOM 885 N ASP A 59 -6.146 8.932 -0.954 1.00 0.00 N ATOM 886 CA ASP A 59 -6.789 9.430 0.250 1.00 0.00 C ATOM 887 C ASP A 59 -7.755 8.413 0.838 1.00 0.00 C ATOM 888 O ASP A 59 -8.282 7.559 0.127 1.00 0.00 O ATOM 889 CB ASP A 59 -7.504 10.749 -0.056 1.00 0.00 C ATOM 890 CG ASP A 59 -8.511 10.621 -1.178 1.00 0.00 C ATOM 891 OD1 ASP A 59 -8.101 10.697 -2.355 1.00 0.00 O ATOM 892 OD2 ASP A 59 -9.712 10.452 -0.880 1.00 0.00 O ATOM 0 H ASP A 59 -6.732 8.347 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.018 9.605 1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.011 11.100 0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.765 11.505 -0.321 1.00 0.00 H new ATOM 897 N GLY A 60 -7.968 8.513 2.147 1.00 0.00 N ATOM 898 CA GLY A 60 -8.808 7.562 2.869 1.00 0.00 C ATOM 899 C GLY A 60 -9.993 7.034 2.078 1.00 0.00 C ATOM 900 O GLY A 60 -10.368 5.867 2.218 1.00 0.00 O ATOM 0 H GLY A 60 -7.568 9.247 2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.192 6.719 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.178 8.040 3.776 1.00 0.00 H new ATOM 904 N ASP A 61 -10.569 7.875 1.235 1.00 0.00 N ATOM 905 CA ASP A 61 -11.726 7.478 0.446 1.00 0.00 C ATOM 906 C ASP A 61 -11.303 6.610 -0.723 1.00 0.00 C ATOM 907 O ASP A 61 -11.896 5.567 -1.003 1.00 0.00 O ATOM 908 CB ASP A 61 -12.448 8.706 -0.101 1.00 0.00 C ATOM 909 CG ASP A 61 -12.442 9.874 0.868 1.00 0.00 C ATOM 910 OD1 ASP A 61 -11.440 10.620 0.893 1.00 0.00 O ATOM 911 OD2 ASP A 61 -13.438 10.041 1.604 1.00 0.00 O ATOM 0 H ASP A 61 -10.257 8.833 1.079 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.394 6.916 1.099 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.977 9.013 -1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.479 8.441 -0.336 1.00 0.00 H new ATOM 916 N GLU A 62 -10.259 7.068 -1.395 1.00 0.00 N ATOM 917 CA GLU A 62 -9.739 6.415 -2.579 1.00 0.00 C ATOM 918 C GLU A 62 -8.884 5.189 -2.249 1.00 0.00 C ATOM 919 O GLU A 62 -8.812 4.242 -3.032 1.00 0.00 O ATOM 920 CB GLU A 62 -8.936 7.430 -3.377 1.00 0.00 C ATOM 921 CG GLU A 62 -9.645 8.758 -3.527 1.00 0.00 C ATOM 922 CD GLU A 62 -10.863 8.673 -4.425 1.00 0.00 C ATOM 923 OE1 GLU A 62 -11.960 8.372 -3.910 1.00 0.00 O ATOM 924 OE2 GLU A 62 -10.720 8.906 -5.644 1.00 0.00 O ATOM 0 H GLU A 62 -9.747 7.909 -1.130 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.581 6.048 -3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.975 7.590 -2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.726 7.023 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.948 9.116 -2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.950 9.493 -3.933 1.00 0.00 H new ATOM 931 N LEU A 63 -8.239 5.215 -1.087 1.00 0.00 N ATOM 932 CA LEU A 63 -7.361 4.124 -0.655 1.00 0.00 C ATOM 933 C LEU A 63 -7.971 2.748 -0.933 1.00 0.00 C ATOM 934 O LEU A 63 -7.272 1.834 -1.370 1.00 0.00 O ATOM 935 CB LEU A 63 -7.075 4.263 0.845 1.00 0.00 C ATOM 936 CG LEU A 63 -6.173 5.435 1.223 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.756 5.363 2.684 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.960 5.494 0.309 1.00 0.00 C ATOM 0 H LEU A 63 -8.307 5.984 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.436 4.197 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.023 4.369 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.615 3.341 1.199 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.743 6.355 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.114 6.212 2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.643 5.390 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.212 4.436 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.330 6.336 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.391 4.568 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.288 5.620 -0.723 1.00 0.00 H new ATOM 950 N LYS A 64 -9.267 2.600 -0.679 1.00 0.00 N ATOM 951 CA LYS A 64 -9.956 1.329 -0.888 1.00 0.00 C ATOM 952 C LYS A 64 -9.904 0.861 -2.334 1.00 0.00 C ATOM 953 O LYS A 64 -10.105 -0.320 -2.617 1.00 0.00 O ATOM 954 CB LYS A 64 -11.422 1.507 -0.495 1.00 0.00 C ATOM 955 CG LYS A 64 -11.620 1.988 0.930 1.00 0.00 C ATOM 956 CD LYS A 64 -12.997 2.599 1.132 1.00 0.00 C ATOM 957 CE LYS A 64 -14.101 1.579 0.911 1.00 0.00 C ATOM 958 NZ LYS A 64 -15.449 2.159 1.169 1.00 0.00 N ATOM 0 H LYS A 64 -9.865 3.348 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.454 0.578 -0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.887 2.219 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.941 0.557 -0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.488 1.152 1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.855 2.725 1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.071 3.003 2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.129 3.434 0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.054 1.209 -0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.942 0.723 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.176 1.433 1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.502 2.489 2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.611 2.960 0.526 1.00 0.00 H new ATOM 972 N TYR A 65 -9.636 1.775 -3.243 1.00 0.00 N ATOM 973 CA TYR A 65 -9.573 1.428 -4.660 1.00 0.00 C ATOM 974 C TYR A 65 -8.284 0.684 -5.012 1.00 0.00 C ATOM 975 O TYR A 65 -8.205 0.048 -6.059 1.00 0.00 O ATOM 976 CB TYR A 65 -9.705 2.683 -5.524 1.00 0.00 C ATOM 977 CG TYR A 65 -10.869 3.570 -5.133 1.00 0.00 C ATOM 978 CD1 TYR A 65 -11.930 3.074 -4.380 1.00 0.00 C ATOM 979 CD2 TYR A 65 -10.897 4.907 -5.507 1.00 0.00 C ATOM 980 CE1 TYR A 65 -12.985 3.893 -4.014 1.00 0.00 C ATOM 981 CE2 TYR A 65 -11.949 5.726 -5.148 1.00 0.00 C ATOM 982 CZ TYR A 65 -12.988 5.216 -4.402 1.00 0.00 C ATOM 983 OH TYR A 65 -14.035 6.034 -4.038 1.00 0.00 O ATOM 0 H TYR A 65 -9.459 2.758 -3.036 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.408 0.759 -4.865 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -8.782 3.259 -5.457 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -9.820 2.386 -6.566 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.930 2.037 -4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.082 5.313 -6.088 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -13.801 3.497 -3.428 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -11.957 6.763 -5.451 1.00 0.00 H new ATOM 0 HH TYR A 65 -13.707 6.949 -3.912 1.00 0.00 H new ATOM 993 N PHE A 66 -7.287 0.750 -4.135 1.00 0.00 N ATOM 994 CA PHE A 66 -6.003 0.100 -4.383 1.00 0.00 C ATOM 995 C PHE A 66 -6.170 -1.360 -4.814 1.00 0.00 C ATOM 996 O PHE A 66 -5.671 -1.760 -5.866 1.00 0.00 O ATOM 997 CB PHE A 66 -5.108 0.237 -3.134 1.00 0.00 C ATOM 998 CG PHE A 66 -4.767 -1.047 -2.404 1.00 0.00 C ATOM 999 CD1 PHE A 66 -4.015 -2.046 -3.007 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -5.192 -1.235 -1.107 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -3.704 -3.206 -2.325 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -4.882 -2.388 -0.416 1.00 0.00 C ATOM 1003 CZ PHE A 66 -4.138 -3.378 -1.026 1.00 0.00 C ATOM 0 H PHE A 66 -7.343 1.247 -3.246 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.515 0.602 -5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.176 0.718 -3.433 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.602 0.908 -2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.669 -1.915 -4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.777 -0.467 -0.623 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.122 -3.977 -2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.221 -2.516 0.601 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.896 -4.283 -0.489 1.00 0.00 H new ATOM 1013 N LEU A 67 -6.864 -2.153 -4.005 1.00 0.00 N ATOM 1014 CA LEU A 67 -7.065 -3.553 -4.353 1.00 0.00 C ATOM 1015 C LEU A 67 -7.870 -3.621 -5.631 1.00 0.00 C ATOM 1016 O LEU A 67 -7.729 -4.544 -6.433 1.00 0.00 O ATOM 1017 CB LEU A 67 -7.776 -4.334 -3.245 1.00 0.00 C ATOM 1018 CG LEU A 67 -6.853 -4.787 -2.086 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -7.581 -5.620 -1.024 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -5.680 -5.593 -2.635 1.00 0.00 C ATOM 0 H LEU A 67 -7.287 -1.859 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.087 -4.015 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.575 -3.715 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.247 -5.214 -3.683 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.501 -3.877 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.879 -5.905 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.389 -5.031 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.994 -6.517 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.037 -5.907 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.056 -6.473 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.107 -4.976 -3.328 1.00 0.00 H new ATOM 1032 N GLN A 68 -8.722 -2.624 -5.804 1.00 0.00 N ATOM 1033 CA GLN A 68 -9.543 -2.519 -6.980 1.00 0.00 C ATOM 1034 C GLN A 68 -8.673 -2.228 -8.202 1.00 0.00 C ATOM 1035 O GLN A 68 -8.941 -2.734 -9.292 1.00 0.00 O ATOM 1036 CB GLN A 68 -10.630 -1.475 -6.746 1.00 0.00 C ATOM 1037 CG GLN A 68 -11.859 -2.089 -6.101 1.00 0.00 C ATOM 1038 CD GLN A 68 -12.797 -1.069 -5.498 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -12.893 0.067 -5.962 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -13.497 -1.484 -4.450 1.00 0.00 N ATOM 0 H GLN A 68 -8.858 -1.871 -5.130 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.047 -3.464 -7.182 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.242 -0.680 -6.109 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.906 -1.016 -7.695 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.399 -2.671 -6.848 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.542 -2.784 -5.323 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.381 -2.436 -4.104 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.151 -0.851 -3.991 1.00 0.00 H new ATOM 1049 N LYS A 69 -7.626 -1.412 -8.026 1.00 0.00 N ATOM 1050 CA LYS A 69 -6.696 -1.118 -9.112 1.00 0.00 C ATOM 1051 C LYS A 69 -6.012 -2.384 -9.599 1.00 0.00 C ATOM 1052 O LYS A 69 -6.134 -2.770 -10.761 1.00 0.00 O ATOM 1053 CB LYS A 69 -5.605 -0.163 -8.626 1.00 0.00 C ATOM 1054 CG LYS A 69 -6.124 1.104 -7.972 1.00 0.00 C ATOM 1055 CD LYS A 69 -7.288 1.706 -8.738 1.00 0.00 C ATOM 1056 CE LYS A 69 -6.924 1.977 -10.190 1.00 0.00 C ATOM 1057 NZ LYS A 69 -5.756 2.893 -10.308 1.00 0.00 N ATOM 0 H LYS A 69 -7.406 -0.948 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.271 -0.670 -9.922 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.969 -0.690 -7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.976 0.112 -9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.438 0.883 -6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.317 1.834 -7.906 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.141 1.028 -8.697 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.596 2.636 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.698 1.035 -10.690 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.781 2.413 -10.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.582 3.106 -11.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.954 3.776 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.915 2.437 -9.900 1.00 0.00 H new ATOM 1071 N PHE A 70 -5.289 -3.022 -8.690 1.00 0.00 N ATOM 1072 CA PHE A 70 -4.560 -4.236 -9.005 1.00 0.00 C ATOM 1073 C PHE A 70 -5.539 -5.343 -9.386 1.00 0.00 C ATOM 1074 O PHE A 70 -5.256 -6.174 -10.249 1.00 0.00 O ATOM 1075 CB PHE A 70 -3.660 -4.600 -7.806 1.00 0.00 C ATOM 1076 CG PHE A 70 -3.755 -6.022 -7.313 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -3.342 -7.081 -8.106 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -4.260 -6.290 -6.052 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -3.434 -8.382 -7.647 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -4.354 -7.586 -5.586 1.00 0.00 C ATOM 1081 CZ PHE A 70 -3.940 -8.635 -6.385 1.00 0.00 C ATOM 0 H PHE A 70 -5.193 -2.714 -7.722 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.910 -4.092 -9.868 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.624 -4.401 -8.081 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.904 -3.933 -6.979 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.945 -6.888 -9.092 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.585 -5.474 -5.424 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.111 -9.200 -8.274 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.750 -7.780 -4.600 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.012 -9.651 -6.024 1.00 0.00 H new ATOM 1091 N GLN A 71 -6.691 -5.340 -8.730 1.00 0.00 N ATOM 1092 CA GLN A 71 -7.739 -6.308 -9.008 1.00 0.00 C ATOM 1093 C GLN A 71 -9.084 -5.622 -8.898 1.00 0.00 C ATOM 1094 O GLN A 71 -9.566 -5.381 -7.800 1.00 0.00 O ATOM 1095 CB GLN A 71 -7.672 -7.463 -8.011 1.00 0.00 C ATOM 1096 CG GLN A 71 -8.800 -8.471 -8.166 1.00 0.00 C ATOM 1097 CD GLN A 71 -9.660 -8.595 -6.920 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -9.921 -7.475 -6.249 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -10.108 -9.688 -6.574 1.00 0.00 N flip ATOM 0 H GLN A 71 -6.923 -4.671 -7.996 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.603 -6.706 -10.014 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.718 -7.978 -8.128 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.694 -7.059 -6.999 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.429 -8.178 -9.007 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.378 -9.446 -8.408 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.886 -10.524 -7.114 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.701 -9.757 -5.747 1.00 0.00 H new ATOM 1108 N SER A 72 -9.685 -5.339 -10.049 1.00 0.00 N ATOM 1109 CA SER A 72 -10.971 -4.640 -10.124 1.00 0.00 C ATOM 1110 C SER A 72 -12.115 -5.453 -9.523 1.00 0.00 C ATOM 1111 O SER A 72 -13.153 -5.630 -10.162 1.00 0.00 O ATOM 1112 CB SER A 72 -11.307 -4.295 -11.569 1.00 0.00 C ATOM 1113 OG SER A 72 -11.224 -5.439 -12.402 1.00 0.00 O ATOM 0 H SER A 72 -9.297 -5.586 -10.959 1.00 0.00 H new ATOM 0 HA SER A 72 -10.863 -3.728 -9.537 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.312 -3.876 -11.621 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.623 -3.528 -11.931 1.00 0.00 H new ATOM 0 HG SER A 72 -11.446 -5.190 -13.323 1.00 0.00 H new ATOM 1119 N ASP A 73 -11.940 -5.944 -8.311 1.00 0.00 N ATOM 1120 CA ASP A 73 -12.966 -6.741 -7.671 1.00 0.00 C ATOM 1121 C ASP A 73 -12.790 -6.771 -6.159 1.00 0.00 C ATOM 1122 O ASP A 73 -13.376 -7.619 -5.486 1.00 0.00 O ATOM 1123 CB ASP A 73 -12.951 -8.165 -8.230 1.00 0.00 C ATOM 1124 CG ASP A 73 -14.044 -9.035 -7.638 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -15.226 -8.818 -7.982 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -13.719 -9.931 -6.831 1.00 0.00 O ATOM 0 H ASP A 73 -11.098 -5.805 -7.752 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.929 -6.279 -7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.068 -8.128 -9.313 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.981 -8.620 -8.030 1.00 0.00 H new ATOM 1131 N ALA A 74 -11.992 -5.857 -5.603 1.00 0.00 N ATOM 1132 CA ALA A 74 -11.790 -5.842 -4.175 1.00 0.00 C ATOM 1133 C ALA A 74 -13.095 -5.641 -3.419 1.00 0.00 C ATOM 1134 O ALA A 74 -14.069 -5.103 -3.945 1.00 0.00 O ATOM 1135 CB ALA A 74 -10.803 -4.758 -3.792 1.00 0.00 C ATOM 0 H ALA A 74 -11.489 -5.135 -6.119 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.387 -6.815 -3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.662 -4.760 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.848 -4.945 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.188 -3.788 -4.106 1.00 0.00 H new ATOM 1141 N ARG A 75 -13.087 -6.089 -2.175 1.00 0.00 N ATOM 1142 CA ARG A 75 -14.238 -5.955 -1.283 1.00 0.00 C ATOM 1143 C ARG A 75 -14.255 -4.579 -0.607 1.00 0.00 C ATOM 1144 O ARG A 75 -15.154 -4.278 0.178 1.00 0.00 O ATOM 1145 CB ARG A 75 -14.280 -7.076 -0.227 1.00 0.00 C ATOM 1146 CG ARG A 75 -12.929 -7.657 0.195 1.00 0.00 C ATOM 1147 CD ARG A 75 -12.236 -6.798 1.249 1.00 0.00 C ATOM 1148 NE ARG A 75 -11.523 -5.629 0.721 1.00 0.00 N ATOM 1149 CZ ARG A 75 -10.758 -5.608 -0.348 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -10.287 -6.730 -0.878 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -10.387 -4.432 -0.835 1.00 0.00 N ATOM 0 H ARG A 75 -12.286 -6.556 -1.750 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.132 -6.048 -1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.780 -6.691 0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.897 -7.888 -0.613 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.075 -8.663 0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.285 -7.746 -0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.982 -6.457 1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.528 -7.421 1.796 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.631 -4.752 1.230 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.517 -7.629 -0.456 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.695 -6.693 -1.708 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.695 -3.572 -0.381 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.794 -4.387 -1.663 1.00 0.00 H new ATOM 1165 N GLU A 76 -13.238 -3.763 -0.915 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.099 -2.416 -0.362 1.00 0.00 C ATOM 1167 C GLU A 76 -12.338 -2.511 0.950 1.00 0.00 C ATOM 1168 O GLU A 76 -12.560 -3.437 1.730 1.00 0.00 O ATOM 1169 CB GLU A 76 -14.457 -1.739 -0.162 1.00 0.00 C ATOM 1170 CG GLU A 76 -15.367 -1.879 -1.367 1.00 0.00 C ATOM 1171 CD GLU A 76 -16.487 -0.856 -1.381 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -16.258 0.270 -1.871 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -17.595 -1.182 -0.903 1.00 0.00 O ATOM 0 H GLU A 76 -12.489 -4.022 -1.557 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.547 -1.796 -1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.948 -2.171 0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.303 -0.681 0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.776 -1.776 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.796 -2.881 -1.378 1.00 0.00 H new ATOM 1180 N LEU A 77 -11.447 -1.569 1.201 1.00 0.00 N ATOM 1181 CA LEU A 77 -10.625 -1.587 2.410 1.00 0.00 C ATOM 1182 C LEU A 77 -11.389 -1.213 3.694 1.00 0.00 C ATOM 1183 O LEU A 77 -10.774 -0.755 4.653 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.435 -0.649 2.224 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.283 -1.169 1.363 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -7.207 -0.107 1.280 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -7.688 -2.457 1.915 1.00 0.00 C ATOM 0 H LEU A 77 -11.269 -0.776 0.584 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.295 -2.617 2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.798 0.279 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.039 -0.401 3.209 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.679 -1.391 0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.382 -0.472 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.621 0.796 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.842 0.120 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.874 -2.787 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.306 -2.280 2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.458 -3.228 1.951 1.00 0.00 H new ATOM 1199 N THR A 78 -12.708 -1.425 3.718 1.00 0.00 N ATOM 1200 CA THR A 78 -13.546 -1.122 4.879 1.00 0.00 C ATOM 1201 C THR A 78 -13.066 0.097 5.669 1.00 0.00 C ATOM 1202 O THR A 78 -12.288 0.918 5.186 1.00 0.00 O ATOM 1203 CB THR A 78 -13.616 -2.331 5.833 1.00 0.00 C ATOM 1204 OG1 THR A 78 -12.429 -2.392 6.632 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.768 -3.631 5.055 1.00 0.00 C ATOM 0 H THR A 78 -13.225 -1.813 2.929 1.00 0.00 H new ATOM 0 HA THR A 78 -14.533 -0.894 4.478 1.00 0.00 H new ATOM 0 HB THR A 78 -14.487 -2.205 6.476 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.481 -3.161 7.237 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.815 -4.468 5.751 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.684 -3.597 4.466 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.914 -3.759 4.390 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.614 0.246 6.862 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.219 1.322 7.752 1.00 0.00 C ATOM 1215 C GLU A 79 -11.818 1.056 8.306 1.00 0.00 C ATOM 1216 O GLU A 79 -10.957 1.935 8.330 1.00 0.00 O ATOM 1217 CB GLU A 79 -14.221 1.462 8.900 1.00 0.00 C ATOM 1218 CG GLU A 79 -15.629 1.807 8.438 1.00 0.00 C ATOM 1219 CD GLU A 79 -16.608 1.930 9.590 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -16.691 3.026 10.184 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -17.290 0.931 9.899 1.00 0.00 O ATOM 0 H GLU A 79 -14.337 -0.368 7.238 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.206 2.254 7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.250 0.529 9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.872 2.235 9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.606 2.746 7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.980 1.039 7.749 1.00 0.00 H new ATOM 1228 N SER A 80 -11.621 -0.186 8.747 1.00 0.00 N ATOM 1229 CA SER A 80 -10.375 -0.636 9.369 1.00 0.00 C ATOM 1230 C SER A 80 -9.220 -0.898 8.397 1.00 0.00 C ATOM 1231 O SER A 80 -8.066 -0.614 8.720 1.00 0.00 O ATOM 1232 CB SER A 80 -10.650 -1.908 10.150 1.00 0.00 C ATOM 1233 OG SER A 80 -9.573 -2.226 11.014 1.00 0.00 O ATOM 0 H SER A 80 -12.330 -0.917 8.682 1.00 0.00 H new ATOM 0 HA SER A 80 -10.049 0.185 10.007 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.563 -1.789 10.733 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.819 -2.733 9.458 1.00 0.00 H new ATOM 0 HG SER A 80 -9.924 -2.520 11.880 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.515 -1.435 7.216 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.447 -1.782 6.267 1.00 0.00 C ATOM 1241 C GLU A 81 -7.748 -0.530 5.741 1.00 0.00 C ATOM 1242 O GLU A 81 -6.518 -0.472 5.720 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.980 -2.637 5.107 1.00 0.00 C ATOM 1244 CG GLU A 81 -8.083 -3.808 4.718 1.00 0.00 C ATOM 1245 CD GLU A 81 -8.832 -4.876 3.942 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -10.007 -5.138 4.275 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -8.245 -5.445 2.998 1.00 0.00 O ATOM 0 H GLU A 81 -10.461 -1.638 6.893 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.712 -2.378 6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.962 -3.023 5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.119 -1.997 4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.251 -3.441 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.655 -4.249 5.618 1.00 0.00 H new ATOM 1254 N THR A 82 -8.518 0.476 5.314 1.00 0.00 N ATOM 1255 CA THR A 82 -7.919 1.705 4.818 1.00 0.00 C ATOM 1256 C THR A 82 -7.080 2.359 5.900 1.00 0.00 C ATOM 1257 O THR A 82 -6.207 3.176 5.608 1.00 0.00 O ATOM 1258 CB THR A 82 -8.958 2.726 4.340 1.00 0.00 C ATOM 1259 OG1 THR A 82 -9.762 3.168 5.440 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.845 2.145 3.260 1.00 0.00 C ATOM 0 H THR A 82 -9.538 0.460 5.304 1.00 0.00 H new ATOM 0 HA THR A 82 -7.303 1.416 3.966 1.00 0.00 H new ATOM 0 HB THR A 82 -8.420 3.576 3.920 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.421 3.820 5.122 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.571 2.894 2.943 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.234 1.848 2.408 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.370 1.273 3.650 1.00 0.00 H new ATOM 1268 N LYS A 83 -7.341 1.999 7.159 1.00 0.00 N ATOM 1269 CA LYS A 83 -6.580 2.553 8.266 1.00 0.00 C ATOM 1270 C LYS A 83 -5.111 2.283 7.998 1.00 0.00 C ATOM 1271 O LYS A 83 -4.237 3.092 8.311 1.00 0.00 O ATOM 1272 CB LYS A 83 -7.010 1.917 9.591 1.00 0.00 C ATOM 1273 CG LYS A 83 -6.461 2.626 10.817 1.00 0.00 C ATOM 1274 CD LYS A 83 -6.950 1.974 12.102 1.00 0.00 C ATOM 1275 CE LYS A 83 -6.587 2.805 13.323 1.00 0.00 C ATOM 1276 NZ LYS A 83 -5.119 3.018 13.438 1.00 0.00 N ATOM 0 H LYS A 83 -8.066 1.334 7.429 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.760 3.625 8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.099 1.910 9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.683 0.877 9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.371 2.610 10.791 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.765 3.673 10.800 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.031 1.845 12.057 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.514 0.979 12.195 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.090 3.770 13.267 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.952 2.307 14.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.904 3.470 14.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.630 2.102 13.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.795 3.631 12.663 1.00 0.00 H new ATOM 1290 N SER A 84 -4.867 1.123 7.400 1.00 0.00 N ATOM 1291 CA SER A 84 -3.543 0.714 7.029 1.00 0.00 C ATOM 1292 C SER A 84 -2.937 1.726 6.072 1.00 0.00 C ATOM 1293 O SER A 84 -1.902 2.326 6.352 1.00 0.00 O ATOM 1294 CB SER A 84 -3.637 -0.647 6.353 1.00 0.00 C ATOM 1295 OG SER A 84 -4.513 -1.504 7.065 1.00 0.00 O ATOM 0 H SER A 84 -5.593 0.447 7.164 1.00 0.00 H new ATOM 0 HA SER A 84 -2.908 0.652 7.913 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.992 -0.526 5.330 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.647 -1.099 6.295 1.00 0.00 H new ATOM 0 HG SER A 84 -5.416 -1.432 6.692 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.628 1.948 4.961 1.00 0.00 N ATOM 1302 CA LEU A 85 -3.181 2.887 3.958 1.00 0.00 C ATOM 1303 C LEU A 85 -3.123 4.292 4.544 1.00 0.00 C ATOM 1304 O LEU A 85 -2.244 5.082 4.211 1.00 0.00 O ATOM 1305 CB LEU A 85 -4.129 2.809 2.763 1.00 0.00 C ATOM 1306 CG LEU A 85 -4.026 1.520 1.941 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -4.709 1.686 0.595 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -2.577 1.104 1.743 1.00 0.00 C ATOM 0 H LEU A 85 -4.507 1.482 4.737 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.174 2.637 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.153 2.913 3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.934 3.658 2.107 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.533 0.733 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.624 0.759 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.762 1.923 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.232 2.495 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.539 0.186 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.040 1.894 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.112 0.933 2.714 1.00 0.00 H new ATOM 1320 N MET A 86 -4.062 4.583 5.431 1.00 0.00 N ATOM 1321 CA MET A 86 -4.111 5.873 6.107 1.00 0.00 C ATOM 1322 C MET A 86 -2.848 6.048 6.948 1.00 0.00 C ATOM 1323 O MET A 86 -2.118 7.029 6.809 1.00 0.00 O ATOM 1324 CB MET A 86 -5.351 5.956 6.998 1.00 0.00 C ATOM 1325 CG MET A 86 -6.654 5.825 6.230 1.00 0.00 C ATOM 1326 SD MET A 86 -7.506 7.401 6.035 1.00 0.00 S ATOM 1327 CE MET A 86 -6.173 8.426 5.422 1.00 0.00 C ATOM 0 H MET A 86 -4.806 3.939 5.702 1.00 0.00 H new ATOM 0 HA MET A 86 -4.166 6.668 5.364 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.301 5.170 7.752 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.345 6.908 7.529 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.450 5.402 5.246 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.308 5.124 6.749 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.557 9.418 5.184 1.00 0.00 H new ATOM 0 HE2 MET A 86 -5.399 8.510 6.184 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.751 7.975 4.524 1.00 0.00 H new ATOM 1337 N ASP A 87 -2.604 5.057 7.806 1.00 0.00 N ATOM 1338 CA ASP A 87 -1.440 5.018 8.692 1.00 0.00 C ATOM 1339 C ASP A 87 -0.145 4.718 7.927 1.00 0.00 C ATOM 1340 O ASP A 87 0.941 4.720 8.506 1.00 0.00 O ATOM 1341 CB ASP A 87 -1.651 3.947 9.754 1.00 0.00 C ATOM 1342 CG ASP A 87 -2.727 4.325 10.755 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -3.920 4.289 10.390 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -2.375 4.664 11.905 1.00 0.00 O ATOM 0 H ASP A 87 -3.217 4.248 7.907 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.339 6.002 9.151 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.923 3.009 9.270 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.713 3.773 10.282 1.00 0.00 H new ATOM 1349 N ALA A 88 -0.267 4.464 6.630 1.00 0.00 N ATOM 1350 CA ALA A 88 0.879 4.135 5.794 1.00 0.00 C ATOM 1351 C ALA A 88 1.691 5.365 5.382 1.00 0.00 C ATOM 1352 O ALA A 88 2.915 5.301 5.275 1.00 0.00 O ATOM 1353 CB ALA A 88 0.406 3.384 4.572 1.00 0.00 C ATOM 0 H ALA A 88 -1.157 4.480 6.132 1.00 0.00 H new ATOM 0 HA ALA A 88 1.548 3.510 6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.261 3.136 3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.096 2.467 4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.289 4.006 4.009 1.00 0.00 H new ATOM 1359 N ALA A 89 1.005 6.483 5.149 1.00 0.00 N ATOM 1360 CA ALA A 89 1.643 7.706 4.721 1.00 0.00 C ATOM 1361 C ALA A 89 0.734 8.885 5.015 1.00 0.00 C ATOM 1362 O ALA A 89 -0.479 8.829 4.819 1.00 0.00 O ATOM 1363 CB ALA A 89 1.962 7.648 3.240 1.00 0.00 C ATOM 0 H ALA A 89 -0.007 6.556 5.254 1.00 0.00 H new ATOM 0 HA ALA A 89 2.577 7.828 5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.442 8.578 2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.633 6.812 3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.040 7.513 2.674 1.00 0.00 H new ATOM 1369 N ASP A 90 1.342 9.942 5.498 1.00 0.00 N ATOM 1370 CA ASP A 90 0.643 11.171 5.856 1.00 0.00 C ATOM 1371 C ASP A 90 -0.674 10.848 6.564 1.00 0.00 C ATOM 1372 O ASP A 90 -1.765 11.128 6.069 1.00 0.00 O ATOM 1373 CB ASP A 90 0.408 12.006 4.612 1.00 0.00 C ATOM 1374 CG ASP A 90 0.136 13.462 4.931 1.00 0.00 C ATOM 1375 OD1 ASP A 90 -0.225 13.759 6.088 1.00 0.00 O ATOM 1376 OD2 ASP A 90 0.283 14.306 4.022 1.00 0.00 O ATOM 0 H ASP A 90 2.348 9.982 5.659 1.00 0.00 H new ATOM 0 HA ASP A 90 1.258 11.748 6.547 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.280 11.937 3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.436 11.596 4.057 1.00 0.00 H new ATOM 1381 N ASN A 91 -0.521 10.253 7.734 1.00 0.00 N ATOM 1382 CA ASN A 91 -1.644 9.832 8.567 1.00 0.00 C ATOM 1383 C ASN A 91 -1.930 10.868 9.644 1.00 0.00 C ATOM 1384 O ASN A 91 -3.074 11.270 9.859 1.00 0.00 O ATOM 1385 CB ASN A 91 -1.361 8.465 9.220 1.00 0.00 C ATOM 1386 CG ASN A 91 0.042 7.964 8.986 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.270 7.371 7.836 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 0.918 8.119 9.837 1.00 0.00 N flip ATOM 0 H ASN A 91 0.391 10.045 8.140 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.520 9.738 7.925 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.537 8.541 10.293 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.069 7.733 8.832 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.697 8.585 10.717 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.864 7.781 9.662 1.00 0.00 H new ATOM 1395 N ASP A 92 -0.869 11.297 10.315 1.00 0.00 N ATOM 1396 CA ASP A 92 -0.962 12.269 11.385 1.00 0.00 C ATOM 1397 C ASP A 92 -0.595 13.667 10.902 1.00 0.00 C ATOM 1398 O ASP A 92 -0.134 14.495 11.688 1.00 0.00 O ATOM 1399 CB ASP A 92 -0.037 11.857 12.526 1.00 0.00 C ATOM 1400 CG ASP A 92 -0.486 10.576 13.201 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -0.302 9.495 12.604 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -1.020 10.655 14.327 1.00 0.00 O ATOM 0 H ASP A 92 0.081 10.977 10.128 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.994 12.296 11.734 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.974 11.726 12.141 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.004 12.658 13.264 1.00 0.00 H new ATOM 1407 N GLY A 93 -0.793 13.937 9.614 1.00 0.00 N ATOM 1408 CA GLY A 93 -0.443 15.245 9.083 1.00 0.00 C ATOM 1409 C GLY A 93 -1.232 15.643 7.836 1.00 0.00 C ATOM 1410 O GLY A 93 -0.924 16.661 7.216 1.00 0.00 O ATOM 0 H GLY A 93 -1.184 13.283 8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.605 15.995 9.857 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.621 15.256 8.846 1.00 0.00 H new ATOM 1414 N ASP A 94 -2.246 14.857 7.458 1.00 0.00 N ATOM 1415 CA ASP A 94 -3.046 15.169 6.274 1.00 0.00 C ATOM 1416 C ASP A 94 -4.138 14.125 6.046 1.00 0.00 C ATOM 1417 O ASP A 94 -5.326 14.411 6.193 1.00 0.00 O ATOM 1418 CB ASP A 94 -2.163 15.270 5.030 1.00 0.00 C ATOM 1419 CG ASP A 94 -2.722 16.237 4.006 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -2.393 17.441 4.083 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -3.490 15.792 3.126 1.00 0.00 O ATOM 0 H ASP A 94 -2.528 14.009 7.950 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.522 16.133 6.452 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.163 15.591 5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.062 14.283 4.578 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.720 12.911 5.687 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.667 11.838 5.429 1.00 0.00 C ATOM 1428 C GLY A 95 -4.539 11.259 4.025 1.00 0.00 C ATOM 1429 O GLY A 95 -5.355 10.432 3.616 1.00 0.00 O ATOM 0 H GLY A 95 -2.740 12.652 5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.516 11.043 6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.681 12.213 5.571 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.518 11.691 3.287 1.00 0.00 N ATOM 1434 CA LYS A 96 -3.296 11.211 1.924 1.00 0.00 C ATOM 1435 C LYS A 96 -2.092 10.296 1.839 1.00 0.00 C ATOM 1436 O LYS A 96 -1.296 10.184 2.766 1.00 0.00 O ATOM 1437 CB LYS A 96 -3.106 12.409 0.946 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.775 12.448 0.153 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.565 12.602 1.064 1.00 0.00 C ATOM 1440 CE LYS A 96 0.339 13.733 0.602 1.00 0.00 C ATOM 1441 NZ LYS A 96 -0.353 15.051 0.645 1.00 0.00 N ATOM 0 H LYS A 96 -2.831 12.373 3.610 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.180 10.641 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.929 12.400 0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.190 13.333 1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.674 11.532 -0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.801 13.275 -0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.898 12.794 2.084 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.002 11.669 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.227 13.769 1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.678 13.534 -0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.351 15.810 0.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.891 15.189 -0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.003 15.075 1.456 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.995 9.640 0.705 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.860 8.823 0.394 1.00 0.00 C ATOM 1457 C ILE A 97 -0.313 9.282 -0.949 1.00 0.00 C ATOM 1458 O ILE A 97 -1.031 9.829 -1.778 1.00 0.00 O ATOM 1459 CB ILE A 97 -1.169 7.323 0.327 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.991 6.891 1.532 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.131 6.537 0.265 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -1.302 7.153 2.852 1.00 0.00 C ATOM 0 H ILE A 97 -2.707 9.663 -0.025 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.138 8.944 1.202 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.752 7.122 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.946 7.416 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.211 5.827 1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.090 5.471 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.692 6.831 -0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.725 6.745 1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.943 6.821 3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.360 6.606 2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.106 8.220 2.955 1.00 0.00 H new ATOM 1474 N GLY A 98 0.954 9.078 -1.130 1.00 0.00 N ATOM 1475 CA GLY A 98 1.639 9.446 -2.352 1.00 0.00 C ATOM 1476 C GLY A 98 2.991 8.767 -2.417 1.00 0.00 C ATOM 1477 O GLY A 98 3.464 8.258 -1.411 1.00 0.00 O ATOM 0 H GLY A 98 1.559 8.646 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.038 9.160 -3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.764 10.528 -2.396 1.00 0.00 H new ATOM 1481 N ALA A 99 3.614 8.732 -3.584 1.00 0.00 N ATOM 1482 CA ALA A 99 4.922 8.091 -3.698 1.00 0.00 C ATOM 1483 C ALA A 99 5.896 8.685 -2.683 1.00 0.00 C ATOM 1484 O ALA A 99 6.586 7.962 -1.964 1.00 0.00 O ATOM 1485 CB ALA A 99 5.461 8.237 -5.110 1.00 0.00 C ATOM 0 H ALA A 99 3.249 9.129 -4.450 1.00 0.00 H new ATOM 0 HA ALA A 99 4.810 7.028 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.436 7.754 -5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.773 7.767 -5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.562 9.295 -5.353 1.00 0.00 H new ATOM 1491 N ASP A 100 5.939 10.011 -2.639 1.00 0.00 N ATOM 1492 CA ASP A 100 6.801 10.723 -1.702 1.00 0.00 C ATOM 1493 C ASP A 100 6.455 10.339 -0.270 1.00 0.00 C ATOM 1494 O ASP A 100 7.330 9.986 0.519 1.00 0.00 O ATOM 1495 CB ASP A 100 6.652 12.233 -1.887 1.00 0.00 C ATOM 1496 CG ASP A 100 7.628 13.020 -1.035 1.00 0.00 C ATOM 1497 OD1 ASP A 100 8.812 13.114 -1.422 1.00 0.00 O ATOM 1498 OD2 ASP A 100 7.209 13.541 0.020 1.00 0.00 O ATOM 0 H ASP A 100 5.385 10.617 -3.244 1.00 0.00 H new ATOM 0 HA ASP A 100 7.835 10.443 -1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.806 12.484 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.634 12.528 -1.634 1.00 0.00 H new ATOM 1503 N GLU A 101 5.168 10.401 0.050 1.00 0.00 N ATOM 1504 CA GLU A 101 4.686 10.050 1.379 1.00 0.00 C ATOM 1505 C GLU A 101 5.005 8.592 1.670 1.00 0.00 C ATOM 1506 O GLU A 101 5.557 8.259 2.717 1.00 0.00 O ATOM 1507 CB GLU A 101 3.179 10.306 1.471 1.00 0.00 C ATOM 1508 CG GLU A 101 2.808 11.772 1.657 1.00 0.00 C ATOM 1509 CD GLU A 101 3.783 12.741 1.006 1.00 0.00 C ATOM 1510 OE1 GLU A 101 4.777 13.115 1.664 1.00 0.00 O ATOM 1511 OE2 GLU A 101 3.552 13.122 -0.160 1.00 0.00 O ATOM 0 H GLU A 101 4.436 10.693 -0.598 1.00 0.00 H new ATOM 0 HA GLU A 101 5.185 10.670 2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.702 9.934 0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.774 9.731 2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.813 11.940 1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.752 11.990 2.723 1.00 0.00 H new ATOM 1518 N PHE A 102 4.646 7.726 0.731 1.00 0.00 N ATOM 1519 CA PHE A 102 4.922 6.307 0.858 1.00 0.00 C ATOM 1520 C PHE A 102 6.410 6.103 1.124 1.00 0.00 C ATOM 1521 O PHE A 102 6.797 5.323 1.994 1.00 0.00 O ATOM 1522 CB PHE A 102 4.491 5.555 -0.405 1.00 0.00 C ATOM 1523 CG PHE A 102 4.628 4.067 -0.262 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.876 3.478 -0.155 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.504 3.259 -0.211 1.00 0.00 C ATOM 1526 CE1 PHE A 102 6.001 2.113 0.000 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.623 1.891 -0.061 1.00 0.00 C ATOM 1528 CZ PHE A 102 4.873 1.317 0.045 1.00 0.00 C ATOM 0 H PHE A 102 4.162 7.986 -0.128 1.00 0.00 H new ATOM 0 HA PHE A 102 4.350 5.906 1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.454 5.801 -0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 102 5.093 5.893 -1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.762 4.094 -0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.523 3.704 -0.289 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.981 1.667 0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.739 1.272 -0.027 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.969 0.248 0.163 1.00 0.00 H new ATOM 1538 N GLN A 103 7.240 6.813 0.361 1.00 0.00 N ATOM 1539 CA GLN A 103 8.688 6.731 0.521 1.00 0.00 C ATOM 1540 C GLN A 103 9.102 7.085 1.946 1.00 0.00 C ATOM 1541 O GLN A 103 10.098 6.574 2.460 1.00 0.00 O ATOM 1542 CB GLN A 103 9.390 7.667 -0.458 1.00 0.00 C ATOM 1543 CG GLN A 103 9.191 7.288 -1.905 1.00 0.00 C ATOM 1544 CD GLN A 103 10.469 6.805 -2.554 1.00 0.00 C ATOM 1545 OE1 GLN A 103 11.302 6.171 -1.909 1.00 0.00 O ATOM 1546 NE2 GLN A 103 10.636 7.116 -3.830 1.00 0.00 N ATOM 0 H GLN A 103 6.933 7.451 -0.373 1.00 0.00 H new ATOM 0 HA GLN A 103 8.985 5.703 0.313 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.024 8.682 -0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.457 7.676 -0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.434 6.506 -1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.810 8.149 -2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.917 7.644 -4.325 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.484 6.828 -4.318 1.00 0.00 H new ATOM 1555 N GLU A 104 8.329 7.964 2.582 1.00 0.00 N ATOM 1556 CA GLU A 104 8.634 8.389 3.946 1.00 0.00 C ATOM 1557 C GLU A 104 8.544 7.208 4.903 1.00 0.00 C ATOM 1558 O GLU A 104 9.347 7.081 5.825 1.00 0.00 O ATOM 1559 CB GLU A 104 7.690 9.504 4.405 1.00 0.00 C ATOM 1560 CG GLU A 104 7.799 10.776 3.583 1.00 0.00 C ATOM 1561 CD GLU A 104 7.044 11.936 4.203 1.00 0.00 C ATOM 1562 OE1 GLU A 104 5.845 12.097 3.895 1.00 0.00 O ATOM 1563 OE2 GLU A 104 7.654 12.686 4.995 1.00 0.00 O ATOM 0 H GLU A 104 7.495 8.392 2.179 1.00 0.00 H new ATOM 0 HA GLU A 104 9.652 8.779 3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.664 9.140 4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.899 9.738 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.849 11.046 3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.414 10.591 2.580 1.00 0.00 H new ATOM 1570 N MET A 105 7.556 6.349 4.677 1.00 0.00 N ATOM 1571 CA MET A 105 7.355 5.179 5.519 1.00 0.00 C ATOM 1572 C MET A 105 8.560 4.243 5.478 1.00 0.00 C ATOM 1573 O MET A 105 9.113 3.889 6.520 1.00 0.00 O ATOM 1574 CB MET A 105 6.095 4.444 5.113 1.00 0.00 C ATOM 1575 CG MET A 105 5.171 4.203 6.289 1.00 0.00 C ATOM 1576 SD MET A 105 6.006 3.422 7.684 1.00 0.00 S ATOM 1577 CE MET A 105 4.759 3.585 8.958 1.00 0.00 C ATOM 0 H MET A 105 6.882 6.442 3.917 1.00 0.00 H new ATOM 0 HA MET A 105 7.243 5.526 6.546 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.569 5.020 4.352 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.363 3.489 4.661 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.745 5.153 6.612 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.340 3.574 5.970 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.239 3.611 9.936 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.200 4.508 8.804 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.078 2.736 8.911 1.00 0.00 H new ATOM 1587 N VAL A 106 8.968 3.839 4.275 1.00 0.00 N ATOM 1588 CA VAL A 106 10.109 2.947 4.117 1.00 0.00 C ATOM 1589 C VAL A 106 11.389 3.599 4.631 1.00 0.00 C ATOM 1590 O VAL A 106 12.243 2.937 5.222 1.00 0.00 O ATOM 1591 CB VAL A 106 10.305 2.541 2.639 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.379 3.771 1.753 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.548 1.673 2.466 1.00 0.00 C ATOM 0 H VAL A 106 8.524 4.116 3.399 1.00 0.00 H new ATOM 0 HA VAL A 106 9.899 2.053 4.705 1.00 0.00 H new ATOM 0 HB VAL A 106 9.441 1.950 2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.517 3.465 0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.454 4.340 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.219 4.393 2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.660 1.403 1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.427 2.227 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.446 0.768 3.065 1.00 0.00 H new ATOM 1603 N HIS A 107 11.513 4.900 4.400 1.00 0.00 N ATOM 1604 CA HIS A 107 12.689 5.646 4.833 1.00 0.00 C ATOM 1605 C HIS A 107 12.608 5.981 6.319 1.00 0.00 C ATOM 1606 O HIS A 107 13.630 6.201 6.971 1.00 0.00 O ATOM 1607 CB HIS A 107 12.828 6.931 4.016 1.00 0.00 C ATOM 1608 CG HIS A 107 14.083 7.693 4.304 1.00 0.00 C ATOM 1609 ND1 HIS A 107 15.263 7.485 3.622 1.00 0.00 N ATOM 1610 CD2 HIS A 107 14.338 8.673 5.203 1.00 0.00 C ATOM 1611 CE1 HIS A 107 16.190 8.300 4.091 1.00 0.00 C ATOM 1612 NE2 HIS A 107 15.655 9.033 5.050 1.00 0.00 N ATOM 0 H HIS A 107 10.813 5.461 3.915 1.00 0.00 H new ATOM 0 HA HIS A 107 13.566 5.020 4.670 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.800 6.682 2.955 1.00 0.00 H new ATOM 0 HB3 HIS A 107 11.970 7.573 4.215 1.00 0.00 H new ATOM 0 HD2 HIS A 107 13.637 9.093 5.909 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.213 8.357 3.748 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.140 9.750 5.589 1.00 0.00 H new ATOM 1621 N SER A 108 11.391 6.016 6.849 1.00 0.00 N ATOM 1622 CA SER A 108 11.182 6.326 8.258 1.00 0.00 C ATOM 1623 C SER A 108 11.738 5.221 9.149 1.00 0.00 C ATOM 1624 O SER A 108 10.981 4.277 9.460 1.00 0.00 O ATOM 1625 CB SER A 108 9.693 6.528 8.543 1.00 0.00 C ATOM 1626 OG SER A 108 9.463 6.756 9.922 1.00 0.00 O ATOM 1627 OXT SER A 108 12.925 5.307 9.527 1.00 0.00 O ATOM 0 H SER A 108 10.535 5.834 6.325 1.00 0.00 H new ATOM 0 HA SER A 108 11.716 7.250 8.482 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.321 7.373 7.965 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.135 5.649 8.219 1.00 0.00 H new ATOM 0 HG SER A 108 8.504 6.883 10.077 1.00 0.00 H new