USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 61 HIS : no HE2:sc= -10.4! C(o=-14!,f=-22!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ -140:sc= -3.8! (180deg=-4.9!) USER MOD Set 2.1: A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 54:sc= 1.17 USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.768 F(o=-2.5,f=-0.77) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0267 USER MOD Single : A 19 CYS SG : rot 162:sc= -2.28! USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -7.89! C(o=-7.9!,f=-17!) USER MOD Single : A 33 MET CE :methyl -169:sc= -9.14! (180deg=-9.79!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -77:sc= -5.47! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0109 USER MOD Single : A 56 CYS SG : rot -97:sc= -15.8! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -172:sc=-0.00153 (180deg=-0.0326) USER MOD Single : A 66 LYS NZ :NH3+ -179:sc= 0 (180deg=-3.82e-05) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 30:sc= -0.38 USER MOD Single : A 75 TYR OH : rot -178:sc= -10.9! USER MOD ----------------------------------------------------------------- ATOM 65 N PHE A 5 -10.884 4.164 1.595 1.00 0.00 N ATOM 66 CA PHE A 5 -9.859 3.934 2.650 1.00 0.00 C ATOM 67 C PHE A 5 -10.551 3.616 3.976 1.00 0.00 C ATOM 68 O PHE A 5 -9.950 3.687 5.030 1.00 0.00 O ATOM 69 CB PHE A 5 -8.996 5.187 2.806 1.00 0.00 C ATOM 70 CG PHE A 5 -7.807 5.105 1.874 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.827 4.242 0.773 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.682 5.894 2.108 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.721 4.177 -0.085 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.588 5.826 1.239 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.602 4.972 0.148 1.00 0.00 C ATOM 0 HA PHE A 5 -9.226 3.094 2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.585 6.076 2.583 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.656 5.281 3.837 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.694 3.626 0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.655 6.557 2.960 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.737 3.507 -0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.723 6.446 1.420 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.752 4.923 -0.516 1.00 0.00 H new ATOM 85 N SER A 6 -11.810 3.268 3.932 1.00 0.00 N ATOM 86 CA SER A 6 -12.545 2.940 5.187 1.00 0.00 C ATOM 87 C SER A 6 -11.683 2.017 6.051 1.00 0.00 C ATOM 88 O SER A 6 -10.622 1.585 5.647 1.00 0.00 O ATOM 89 CB SER A 6 -13.858 2.236 4.842 1.00 0.00 C ATOM 90 OG SER A 6 -14.630 3.076 3.993 1.00 0.00 O ATOM 0 H SER A 6 -12.362 3.197 3.077 1.00 0.00 H new ATOM 0 HA SER A 6 -12.760 3.858 5.734 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.656 1.286 4.347 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.413 2.010 5.752 1.00 0.00 H new ATOM 0 HG SER A 6 -15.472 2.628 3.768 1.00 0.00 H new ATOM 96 N SER A 7 -12.126 1.706 7.238 1.00 0.00 N ATOM 97 CA SER A 7 -11.319 0.817 8.120 1.00 0.00 C ATOM 98 C SER A 7 -10.843 -0.399 7.316 1.00 0.00 C ATOM 99 O SER A 7 -11.615 -1.295 7.039 1.00 0.00 O ATOM 100 CB SER A 7 -12.186 0.342 9.288 1.00 0.00 C ATOM 101 OG SER A 7 -13.207 -0.516 8.795 1.00 0.00 O ATOM 0 H SER A 7 -13.009 2.028 7.634 1.00 0.00 H new ATOM 0 HA SER A 7 -10.457 1.364 8.501 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.574 -0.185 10.020 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.629 1.197 9.799 1.00 0.00 H new ATOM 0 HG SER A 7 -12.803 -1.236 8.267 1.00 0.00 H new ATOM 107 N PRO A 8 -9.580 -0.387 6.956 1.00 0.00 N ATOM 108 CA PRO A 8 -8.967 -1.473 6.170 1.00 0.00 C ATOM 109 C PRO A 8 -8.720 -2.695 7.058 1.00 0.00 C ATOM 110 O PRO A 8 -8.905 -2.648 8.258 1.00 0.00 O ATOM 111 CB PRO A 8 -7.650 -0.866 5.679 1.00 0.00 C ATOM 112 CG PRO A 8 -7.315 0.288 6.652 1.00 0.00 C ATOM 113 CD PRO A 8 -8.641 0.700 7.313 1.00 0.00 C ATOM 0 HA PRO A 8 -9.594 -1.820 5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.856 -1.613 5.673 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.748 -0.498 4.658 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.592 -0.034 7.401 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.870 1.128 6.119 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.534 0.795 8.394 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.988 1.664 6.941 1.00 0.00 H new ATOM 121 N ASP A 9 -8.298 -3.787 6.483 1.00 0.00 N ATOM 122 CA ASP A 9 -8.033 -5.003 7.300 1.00 0.00 C ATOM 123 C ASP A 9 -6.591 -4.959 7.806 1.00 0.00 C ATOM 124 O ASP A 9 -6.245 -5.589 8.786 1.00 0.00 O ATOM 125 CB ASP A 9 -8.235 -6.252 6.440 1.00 0.00 C ATOM 126 CG ASP A 9 -9.713 -6.384 6.070 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.540 -6.258 6.957 1.00 0.00 O ATOM 128 OD2 ASP A 9 -9.993 -6.609 4.904 1.00 0.00 O ATOM 0 H ASP A 9 -8.125 -3.889 5.483 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.720 -5.035 8.146 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.628 -6.187 5.537 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.905 -7.138 6.983 1.00 0.00 H new ATOM 133 N HIS A 10 -5.746 -4.224 7.137 1.00 0.00 N ATOM 134 CA HIS A 10 -4.324 -4.140 7.565 1.00 0.00 C ATOM 135 C HIS A 10 -3.808 -2.719 7.326 1.00 0.00 C ATOM 136 O HIS A 10 -4.493 -1.898 6.759 1.00 0.00 O ATOM 137 CB HIS A 10 -3.502 -5.120 6.733 1.00 0.00 C ATOM 138 CG HIS A 10 -3.623 -6.500 7.316 1.00 0.00 C ATOM 139 ND1 HIS A 10 -4.690 -7.358 7.421 1.00 0.00 N flip ATOM 140 CD2 HIS A 10 -2.548 -7.162 7.886 1.00 0.00 C flip ATOM 141 CE1 HIS A 10 -4.287 -8.534 8.047 1.00 0.00 C flip ATOM 142 NE2 HIS A 10 -2.988 -8.363 8.306 1.00 0.00 N flip ATOM 0 H HIS A 10 -5.982 -3.676 6.309 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.238 -4.386 8.623 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.851 -5.118 5.700 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.457 -4.811 6.716 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.541 -6.784 7.977 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.894 -9.398 8.274 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -2.400 -9.058 8.766 1.00 0.00 H new ATOM 150 N THR A 11 -2.607 -2.418 7.750 1.00 0.00 N ATOM 151 CA THR A 11 -2.065 -1.050 7.529 1.00 0.00 C ATOM 152 C THR A 11 -0.556 -1.120 7.280 1.00 0.00 C ATOM 153 O THR A 11 0.098 -2.085 7.621 1.00 0.00 O ATOM 154 CB THR A 11 -2.322 -0.204 8.766 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.708 -0.231 9.080 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.877 1.237 8.510 1.00 0.00 C ATOM 0 H THR A 11 -1.983 -3.060 8.238 1.00 0.00 H new ATOM 0 HA THR A 11 -2.555 -0.607 6.662 1.00 0.00 H new ATOM 0 HB THR A 11 -1.754 -0.608 9.604 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.873 0.313 9.878 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.063 1.839 9.399 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.812 1.253 8.278 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.438 1.647 7.670 1.00 0.00 H new ATOM 164 N LEU A 12 -0.002 -0.093 6.699 1.00 0.00 N ATOM 165 CA LEU A 12 1.471 -0.076 6.435 1.00 0.00 C ATOM 166 C LEU A 12 1.990 1.353 6.506 1.00 0.00 C ATOM 167 O LEU A 12 1.715 2.148 5.644 1.00 0.00 O ATOM 168 CB LEU A 12 1.758 -0.604 5.025 1.00 0.00 C ATOM 169 CG LEU A 12 3.207 -0.246 4.601 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.163 -0.478 5.773 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.627 -1.147 3.444 1.00 0.00 C ATOM 0 H LEU A 12 -0.505 0.740 6.393 1.00 0.00 H new ATOM 0 HA LEU A 12 1.960 -0.701 7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.621 -1.685 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.048 -0.176 4.317 1.00 0.00 H new ATOM 0 HG LEU A 12 3.243 0.801 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.179 -0.225 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.868 0.151 6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.124 -1.525 6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.645 -0.900 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.585 -2.189 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.952 -0.996 2.602 1.00 0.00 H new ATOM 183 N ASP A 13 2.779 1.677 7.480 1.00 0.00 N ATOM 184 CA ASP A 13 3.342 3.050 7.519 1.00 0.00 C ATOM 185 C ASP A 13 4.552 3.054 6.585 1.00 0.00 C ATOM 186 O ASP A 13 5.307 2.103 6.553 1.00 0.00 O ATOM 187 CB ASP A 13 3.779 3.397 8.944 1.00 0.00 C ATOM 188 CG ASP A 13 4.145 4.881 9.018 1.00 0.00 C ATOM 189 OD1 ASP A 13 5.284 5.205 8.723 1.00 0.00 O ATOM 190 OD2 ASP A 13 3.280 5.668 9.369 1.00 0.00 O ATOM 0 H ASP A 13 3.058 1.062 8.244 1.00 0.00 H new ATOM 0 HA ASP A 13 2.602 3.787 7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.976 3.174 9.647 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.634 2.786 9.233 1.00 0.00 H new ATOM 195 N ALA A 14 4.765 4.093 5.828 1.00 0.00 N ATOM 196 CA ALA A 14 5.948 4.086 4.926 1.00 0.00 C ATOM 197 C ALA A 14 6.514 5.506 4.871 1.00 0.00 C ATOM 198 O ALA A 14 7.278 5.908 3.990 1.00 0.00 O ATOM 199 CB ALA A 14 5.551 3.548 3.559 1.00 0.00 C ATOM 0 H ALA A 14 4.184 4.931 5.794 1.00 0.00 H new ATOM 0 HA ALA A 14 6.730 3.425 5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.421 3.545 2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.172 2.531 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.775 4.182 3.130 1.00 0.00 H new ATOM 205 N LEU A 15 6.150 6.246 5.872 1.00 0.00 N ATOM 206 CA LEU A 15 6.632 7.617 6.045 1.00 0.00 C ATOM 207 C LEU A 15 7.989 7.512 6.708 1.00 0.00 C ATOM 208 O LEU A 15 8.117 7.147 7.860 1.00 0.00 O ATOM 209 CB LEU A 15 5.667 8.368 6.935 1.00 0.00 C ATOM 210 CG LEU A 15 4.247 7.840 6.723 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.238 8.798 7.348 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.976 7.720 5.225 1.00 0.00 C ATOM 0 H LEU A 15 5.511 5.934 6.603 1.00 0.00 H new ATOM 0 HA LEU A 15 6.706 8.149 5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.956 8.252 7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.706 9.434 6.711 1.00 0.00 H new ATOM 0 HG LEU A 15 4.149 6.863 7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.229 8.416 7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.433 8.885 8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.330 9.779 6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.965 7.344 5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.076 8.700 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.693 7.031 4.780 1.00 0.00 H new ATOM 224 N GLY A 16 8.999 7.760 5.958 1.00 0.00 N ATOM 225 CA GLY A 16 10.378 7.610 6.481 1.00 0.00 C ATOM 226 C GLY A 16 10.894 6.251 5.996 1.00 0.00 C ATOM 227 O GLY A 16 12.021 5.872 6.239 1.00 0.00 O ATOM 0 H GLY A 16 8.937 8.066 4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.017 8.416 6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.385 7.659 7.570 1.00 0.00 H new ATOM 231 N LEU A 17 10.059 5.529 5.282 1.00 0.00 N ATOM 232 CA LEU A 17 10.454 4.214 4.739 1.00 0.00 C ATOM 233 C LEU A 17 10.892 4.428 3.319 1.00 0.00 C ATOM 234 O LEU A 17 10.398 5.300 2.643 1.00 0.00 O ATOM 235 CB LEU A 17 9.256 3.272 4.705 1.00 0.00 C ATOM 236 CG LEU A 17 8.810 2.904 6.111 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.151 1.533 6.053 1.00 0.00 C ATOM 238 CD2 LEU A 17 10.005 2.832 7.047 1.00 0.00 C ATOM 0 H LEU A 17 9.106 5.813 5.056 1.00 0.00 H new ATOM 0 HA LEU A 17 11.241 3.785 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.432 3.745 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.516 2.368 4.154 1.00 0.00 H new ATOM 0 HG LEU A 17 8.118 3.660 6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.821 1.245 7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.291 1.570 5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.868 0.800 5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.667 2.567 8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.703 2.076 6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.503 3.801 7.076 1.00 0.00 H new ATOM 250 N ARG A 18 11.782 3.645 2.840 1.00 0.00 N ATOM 251 CA ARG A 18 12.190 3.843 1.439 1.00 0.00 C ATOM 252 C ARG A 18 12.452 2.503 0.796 1.00 0.00 C ATOM 253 O ARG A 18 12.873 1.565 1.440 1.00 0.00 O ATOM 254 CB ARG A 18 13.416 4.730 1.377 1.00 0.00 C ATOM 255 CG ARG A 18 14.431 4.307 2.443 1.00 0.00 C ATOM 256 CD ARG A 18 15.107 5.549 3.026 1.00 0.00 C ATOM 257 NE ARG A 18 15.613 6.406 1.916 1.00 0.00 N ATOM 258 CZ ARG A 18 16.375 5.892 0.990 1.00 0.00 C ATOM 259 NH1 ARG A 18 17.545 5.404 1.303 1.00 0.00 N ATOM 260 NH2 ARG A 18 15.969 5.868 -0.250 1.00 0.00 N ATOM 0 H ARG A 18 12.243 2.886 3.341 1.00 0.00 H new ATOM 0 HA ARG A 18 11.389 4.338 0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.869 4.667 0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.129 5.770 1.530 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.932 3.747 3.234 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.178 3.645 2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 18 14.399 6.108 3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.930 5.256 3.678 1.00 0.00 H new ATOM 0 HE ARG A 18 15.363 7.394 1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.864 5.425 2.272 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.140 5.002 0.579 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.056 6.251 -0.495 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.565 5.466 -0.974 1.00 0.00 H new ATOM 274 N CYS A 19 12.205 2.399 -0.463 1.00 0.00 N ATOM 275 CA CYS A 19 12.427 1.096 -1.143 1.00 0.00 C ATOM 276 C CYS A 19 13.794 0.566 -0.738 1.00 0.00 C ATOM 277 O CYS A 19 14.736 1.324 -0.616 1.00 0.00 O ATOM 278 CB CYS A 19 12.371 1.295 -2.655 1.00 0.00 C ATOM 279 SG CYS A 19 13.021 -0.171 -3.498 1.00 0.00 S ATOM 0 H CYS A 19 11.860 3.152 -1.058 1.00 0.00 H new ATOM 0 HA CYS A 19 11.655 0.383 -0.854 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.343 1.479 -2.968 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.952 2.174 -2.936 1.00 0.00 H new ATOM 0 HG CYS A 19 12.638 -0.163 -4.740 1.00 0.00 H new ATOM 285 N PRO A 20 13.874 -0.724 -0.548 1.00 0.00 N ATOM 286 CA PRO A 20 12.737 -1.669 -0.692 1.00 0.00 C ATOM 287 C PRO A 20 11.954 -1.822 0.627 1.00 0.00 C ATOM 288 O PRO A 20 11.083 -2.653 0.738 1.00 0.00 O ATOM 289 CB PRO A 20 13.435 -2.994 -0.988 1.00 0.00 C ATOM 290 CG PRO A 20 14.861 -2.873 -0.393 1.00 0.00 C ATOM 291 CD PRO A 20 15.143 -1.376 -0.196 1.00 0.00 C ATOM 0 HA PRO A 20 12.025 -1.339 -1.448 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.895 -3.827 -0.539 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.475 -3.182 -2.061 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.929 -3.406 0.555 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.597 -3.319 -1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.432 -1.157 0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.957 -1.036 -0.836 1.00 0.00 H new ATOM 299 N GLU A 21 12.317 -1.089 1.639 1.00 0.00 N ATOM 300 CA GLU A 21 11.658 -1.238 2.988 1.00 0.00 C ATOM 301 C GLU A 21 10.127 -1.144 2.964 1.00 0.00 C ATOM 302 O GLU A 21 9.464 -1.961 3.569 1.00 0.00 O ATOM 303 CB GLU A 21 12.209 -0.185 3.938 1.00 0.00 C ATOM 304 CG GLU A 21 13.603 -0.598 4.410 1.00 0.00 C ATOM 305 CD GLU A 21 13.788 -0.197 5.874 1.00 0.00 C ATOM 306 OE1 GLU A 21 13.064 0.677 6.323 1.00 0.00 O ATOM 307 OE2 GLU A 21 14.649 -0.769 6.522 1.00 0.00 O ATOM 0 H GLU A 21 13.050 -0.381 1.600 1.00 0.00 H new ATOM 0 HA GLU A 21 11.894 -2.247 3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.255 0.782 3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.544 -0.069 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.732 -1.675 4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.364 -0.120 3.793 1.00 0.00 H new ATOM 314 N PRO A 22 9.603 -0.168 2.297 1.00 0.00 N ATOM 315 CA PRO A 22 8.148 0.023 2.221 1.00 0.00 C ATOM 316 C PRO A 22 7.570 -1.092 1.381 1.00 0.00 C ATOM 317 O PRO A 22 6.818 -1.923 1.848 1.00 0.00 O ATOM 318 CB PRO A 22 8.000 1.388 1.558 1.00 0.00 C ATOM 319 CG PRO A 22 9.333 1.669 0.835 1.00 0.00 C ATOM 320 CD PRO A 22 10.390 0.802 1.534 1.00 0.00 C ATOM 0 HA PRO A 22 7.628 -0.005 3.178 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.168 1.389 0.853 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.791 2.159 2.299 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.262 1.419 -0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.594 2.726 0.896 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.042 0.309 0.813 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.029 1.399 2.185 1.00 0.00 H new ATOM 328 N VAL A 23 7.962 -1.145 0.158 1.00 0.00 N ATOM 329 CA VAL A 23 7.497 -2.247 -0.712 1.00 0.00 C ATOM 330 C VAL A 23 7.682 -3.557 0.056 1.00 0.00 C ATOM 331 O VAL A 23 7.005 -4.537 -0.187 1.00 0.00 O ATOM 332 CB VAL A 23 8.368 -2.283 -1.959 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.819 -3.314 -2.944 1.00 0.00 C ATOM 334 CG2 VAL A 23 8.382 -0.901 -2.618 1.00 0.00 C ATOM 0 H VAL A 23 8.588 -0.472 -0.285 1.00 0.00 H new ATOM 0 HA VAL A 23 6.453 -2.107 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 23 9.384 -2.560 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.446 -3.336 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.818 -4.299 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.801 -3.044 -3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.007 -0.930 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.366 -0.620 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.783 -0.168 -1.918 1.00 0.00 H new ATOM 344 N MET A 24 8.610 -3.581 0.985 1.00 0.00 N ATOM 345 CA MET A 24 8.850 -4.829 1.765 1.00 0.00 C ATOM 346 C MET A 24 7.733 -5.021 2.792 1.00 0.00 C ATOM 347 O MET A 24 7.246 -6.116 2.993 1.00 0.00 O ATOM 348 CB MET A 24 10.192 -4.725 2.494 1.00 0.00 C ATOM 349 CG MET A 24 11.321 -5.123 1.544 1.00 0.00 C ATOM 350 SD MET A 24 12.085 -6.658 2.126 1.00 0.00 S ATOM 351 CE MET A 24 12.298 -7.434 0.505 1.00 0.00 C ATOM 0 H MET A 24 9.207 -2.792 1.233 1.00 0.00 H new ATOM 0 HA MET A 24 8.866 -5.679 1.083 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.346 -3.707 2.852 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.193 -5.374 3.370 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.931 -5.258 0.535 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.066 -4.329 1.495 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.763 -8.412 0.628 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.325 -7.552 0.027 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.935 -6.806 -0.118 1.00 0.00 H new ATOM 361 N MET A 25 7.324 -3.970 3.444 1.00 0.00 N ATOM 362 CA MET A 25 6.242 -4.100 4.454 1.00 0.00 C ATOM 363 C MET A 25 4.985 -4.624 3.773 1.00 0.00 C ATOM 364 O MET A 25 4.320 -5.497 4.277 1.00 0.00 O ATOM 365 CB MET A 25 5.959 -2.735 5.079 1.00 0.00 C ATOM 366 CG MET A 25 6.869 -2.527 6.291 1.00 0.00 C ATOM 367 SD MET A 25 6.066 -3.189 7.771 1.00 0.00 S ATOM 368 CE MET A 25 7.480 -3.032 8.889 1.00 0.00 C ATOM 0 H MET A 25 7.693 -3.027 3.320 1.00 0.00 H new ATOM 0 HA MET A 25 6.550 -4.794 5.236 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.127 -1.946 4.346 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.914 -2.672 5.381 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.826 -3.024 6.130 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.080 -1.466 6.423 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.202 -3.391 9.880 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.312 -3.625 8.509 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.779 -1.986 8.953 1.00 0.00 H new ATOM 378 N VAL A 26 4.657 -4.104 2.623 1.00 0.00 N ATOM 379 CA VAL A 26 3.444 -4.600 1.914 1.00 0.00 C ATOM 380 C VAL A 26 3.642 -6.073 1.574 1.00 0.00 C ATOM 381 O VAL A 26 2.701 -6.818 1.480 1.00 0.00 O ATOM 382 CB VAL A 26 3.236 -3.813 0.623 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.122 -4.456 -0.211 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.825 -2.386 0.960 1.00 0.00 C ATOM 0 H VAL A 26 5.171 -3.363 2.146 1.00 0.00 H new ATOM 0 HA VAL A 26 2.571 -4.473 2.555 1.00 0.00 H new ATOM 0 HB VAL A 26 4.167 -3.815 0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.981 -3.887 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.398 -5.481 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.194 -4.457 0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.676 -1.823 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.896 -2.400 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.608 -1.912 1.552 1.00 0.00 H new ATOM 394 N ARG A 27 4.862 -6.494 1.378 1.00 0.00 N ATOM 395 CA ARG A 27 5.110 -7.932 1.040 1.00 0.00 C ATOM 396 C ARG A 27 4.764 -8.813 2.233 1.00 0.00 C ATOM 397 O ARG A 27 3.995 -9.734 2.129 1.00 0.00 O ATOM 398 CB ARG A 27 6.583 -8.160 0.711 1.00 0.00 C ATOM 399 CG ARG A 27 6.860 -7.757 -0.733 1.00 0.00 C ATOM 400 CD ARG A 27 6.425 -8.886 -1.668 1.00 0.00 C ATOM 401 NE ARG A 27 7.254 -10.096 -1.410 1.00 0.00 N ATOM 402 CZ ARG A 27 6.764 -11.282 -1.645 1.00 0.00 C ATOM 403 NH1 ARG A 27 5.688 -11.411 -2.374 1.00 0.00 N ATOM 404 NH2 ARG A 27 7.348 -12.340 -1.153 1.00 0.00 N ATOM 0 H ARG A 27 5.697 -5.910 1.436 1.00 0.00 H new ATOM 0 HA ARG A 27 4.490 -8.184 0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.210 -7.578 1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.840 -9.209 0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.322 -6.841 -0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.921 -7.548 -0.867 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.371 -9.115 -1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.533 -8.574 -2.707 1.00 0.00 H new ATOM 0 HE ARG A 27 8.203 -9.998 -1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.231 -10.585 -2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.305 -12.338 -2.558 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.189 -12.240 -0.584 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.964 -13.267 -1.337 1.00 0.00 H new ATOM 418 N LYS A 28 5.352 -8.537 3.357 1.00 0.00 N ATOM 419 CA LYS A 28 5.091 -9.357 4.583 1.00 0.00 C ATOM 420 C LYS A 28 3.619 -9.231 4.950 1.00 0.00 C ATOM 421 O LYS A 28 2.993 -10.159 5.417 1.00 0.00 O ATOM 422 CB LYS A 28 5.957 -8.846 5.738 1.00 0.00 C ATOM 423 CG LYS A 28 5.690 -7.357 5.961 1.00 0.00 C ATOM 424 CD LYS A 28 6.296 -6.924 7.297 1.00 0.00 C ATOM 425 CE LYS A 28 5.254 -7.078 8.405 1.00 0.00 C ATOM 426 NZ LYS A 28 5.816 -6.576 9.691 1.00 0.00 N ATOM 0 H LYS A 28 6.012 -7.770 3.488 1.00 0.00 H new ATOM 0 HA LYS A 28 5.337 -10.401 4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.735 -9.405 6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.011 -9.007 5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.122 -6.774 5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.617 -7.165 5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.174 -7.529 7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.629 -5.888 7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.351 -6.523 8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.967 -8.125 8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.107 -6.681 10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.665 -7.124 9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.069 -5.572 9.591 1.00 0.00 H new ATOM 440 N THR A 29 3.068 -8.087 4.700 1.00 0.00 N ATOM 441 CA THR A 29 1.631 -7.847 4.972 1.00 0.00 C ATOM 442 C THR A 29 0.853 -8.629 3.926 1.00 0.00 C ATOM 443 O THR A 29 -0.200 -9.176 4.171 1.00 0.00 O ATOM 444 CB THR A 29 1.394 -6.344 4.813 1.00 0.00 C ATOM 445 OG1 THR A 29 1.570 -5.701 6.066 1.00 0.00 O ATOM 446 CG2 THR A 29 -0.004 -6.037 4.266 1.00 0.00 C ATOM 0 H THR A 29 3.565 -7.287 4.309 1.00 0.00 H new ATOM 0 HA THR A 29 1.321 -8.160 5.969 1.00 0.00 H new ATOM 0 HB THR A 29 2.119 -5.967 4.092 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.420 -4.738 5.963 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.128 -4.958 4.169 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.123 -6.505 3.289 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.757 -6.429 4.950 1.00 0.00 H new ATOM 454 N VAL A 30 1.414 -8.700 2.762 1.00 0.00 N ATOM 455 CA VAL A 30 0.789 -9.452 1.655 1.00 0.00 C ATOM 456 C VAL A 30 0.868 -10.931 2.020 1.00 0.00 C ATOM 457 O VAL A 30 0.042 -11.737 1.640 1.00 0.00 O ATOM 458 CB VAL A 30 1.601 -9.180 0.384 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.397 -10.304 -0.617 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.169 -7.860 -0.258 1.00 0.00 C ATOM 0 H VAL A 30 2.302 -8.257 2.526 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.248 -9.160 1.490 1.00 0.00 H new ATOM 0 HB VAL A 30 2.653 -9.119 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.978 -10.100 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.725 -11.246 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.341 -10.373 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.757 -7.684 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.112 -7.911 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.330 -7.043 0.446 1.00 0.00 H new ATOM 470 N ARG A 31 1.871 -11.270 2.773 1.00 0.00 N ATOM 471 CA ARG A 31 2.057 -12.671 3.213 1.00 0.00 C ATOM 472 C ARG A 31 1.095 -12.941 4.365 1.00 0.00 C ATOM 473 O ARG A 31 0.625 -14.047 4.552 1.00 0.00 O ATOM 474 CB ARG A 31 3.493 -12.858 3.700 1.00 0.00 C ATOM 475 CG ARG A 31 4.474 -12.593 2.549 1.00 0.00 C ATOM 476 CD ARG A 31 5.860 -12.280 3.119 1.00 0.00 C ATOM 477 NE ARG A 31 6.817 -13.346 2.709 1.00 0.00 N ATOM 478 CZ ARG A 31 7.712 -13.779 3.555 1.00 0.00 C ATOM 479 NH1 ARG A 31 7.339 -14.260 4.709 1.00 0.00 N ATOM 480 NH2 ARG A 31 8.980 -13.730 3.246 1.00 0.00 N ATOM 0 H ARG A 31 2.583 -10.620 3.108 1.00 0.00 H new ATOM 0 HA ARG A 31 1.862 -13.357 2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.697 -12.178 4.527 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.629 -13.871 4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.527 -13.463 1.895 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.122 -11.759 1.942 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.203 -11.310 2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.812 -12.217 4.206 1.00 0.00 H new ATOM 0 HE ARG A 31 6.773 -13.737 1.768 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.349 -14.298 4.950 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.038 -14.598 5.370 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.271 -13.353 2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.679 -14.068 3.907 1.00 0.00 H new ATOM 494 N ASN A 32 0.790 -11.931 5.139 1.00 0.00 N ATOM 495 CA ASN A 32 -0.152 -12.138 6.275 1.00 0.00 C ATOM 496 C ASN A 32 -1.550 -11.669 5.868 1.00 0.00 C ATOM 497 O ASN A 32 -2.490 -11.750 6.634 1.00 0.00 O ATOM 498 CB ASN A 32 0.328 -11.360 7.507 1.00 0.00 C ATOM 499 CG ASN A 32 0.229 -9.852 7.262 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.555 -9.400 6.452 1.00 0.00 O ATOM 501 ND2 ASN A 32 0.997 -9.045 7.941 1.00 0.00 N ATOM 0 H ASN A 32 1.149 -10.982 5.034 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.187 -13.198 6.526 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.273 -11.634 8.374 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.359 -11.630 7.736 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.938 -8.038 7.791 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.657 -9.421 8.622 1.00 0.00 H new ATOM 508 N MET A 33 -1.697 -11.189 4.661 1.00 0.00 N ATOM 509 CA MET A 33 -3.037 -10.727 4.203 1.00 0.00 C ATOM 510 C MET A 33 -3.811 -11.906 3.614 1.00 0.00 C ATOM 511 O MET A 33 -3.330 -13.021 3.563 1.00 0.00 O ATOM 512 CB MET A 33 -2.879 -9.645 3.128 1.00 0.00 C ATOM 513 CG MET A 33 -2.862 -8.260 3.774 1.00 0.00 C ATOM 514 SD MET A 33 -3.568 -7.055 2.623 1.00 0.00 S ATOM 515 CE MET A 33 -5.256 -7.708 2.614 1.00 0.00 C ATOM 0 H MET A 33 -0.948 -11.098 3.975 1.00 0.00 H new ATOM 0 HA MET A 33 -3.579 -10.316 5.054 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.956 -9.806 2.572 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.698 -9.711 2.412 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.434 -8.272 4.702 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.841 -7.979 4.032 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.826 -7.233 1.816 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.229 -8.785 2.449 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.732 -7.500 3.572 1.00 0.00 H new ATOM 525 N GLN A 34 -5.006 -11.656 3.167 1.00 0.00 N ATOM 526 CA GLN A 34 -5.837 -12.736 2.572 1.00 0.00 C ATOM 527 C GLN A 34 -6.508 -12.185 1.316 1.00 0.00 C ATOM 528 O GLN A 34 -6.723 -10.995 1.210 1.00 0.00 O ATOM 529 CB GLN A 34 -6.905 -13.172 3.577 1.00 0.00 C ATOM 530 CG GLN A 34 -6.230 -13.771 4.811 1.00 0.00 C ATOM 531 CD GLN A 34 -6.650 -12.985 6.055 1.00 0.00 C ATOM 532 OE1 GLN A 34 -7.740 -13.164 6.561 1.00 0.00 O ATOM 533 NE2 GLN A 34 -5.825 -12.117 6.571 1.00 0.00 N ATOM 0 H GLN A 34 -5.449 -10.737 3.189 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.217 -13.596 2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.520 -12.319 3.864 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.570 -13.905 3.121 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.509 -14.819 4.919 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.146 -13.740 4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.910 -11.967 6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.095 -11.588 7.400 1.00 0.00 H new ATOM 542 N PRO A 35 -6.820 -13.053 0.397 1.00 0.00 N ATOM 543 CA PRO A 35 -7.466 -12.648 -0.857 1.00 0.00 C ATOM 544 C PRO A 35 -8.899 -12.217 -0.574 1.00 0.00 C ATOM 545 O PRO A 35 -9.701 -12.956 -0.040 1.00 0.00 O ATOM 546 CB PRO A 35 -7.391 -13.899 -1.732 1.00 0.00 C ATOM 547 CG PRO A 35 -7.197 -15.091 -0.764 1.00 0.00 C ATOM 548 CD PRO A 35 -6.586 -14.505 0.525 1.00 0.00 C ATOM 0 HA PRO A 35 -6.993 -11.797 -1.347 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.301 -14.019 -2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.563 -13.832 -2.438 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.148 -15.582 -0.556 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.539 -15.843 -1.200 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.066 -14.911 1.416 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.523 -14.734 0.604 1.00 0.00 H new ATOM 556 N GLY A 36 -9.196 -10.998 -0.894 1.00 0.00 N ATOM 557 CA GLY A 36 -10.542 -10.443 -0.621 1.00 0.00 C ATOM 558 C GLY A 36 -10.417 -9.547 0.609 1.00 0.00 C ATOM 559 O GLY A 36 -11.359 -9.349 1.350 1.00 0.00 O ATOM 0 H GLY A 36 -8.550 -10.348 -1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.905 -9.874 -1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.260 -11.244 -0.443 1.00 0.00 H new ATOM 563 N GLU A 37 -9.238 -9.017 0.839 1.00 0.00 N ATOM 564 CA GLU A 37 -9.033 -8.148 2.035 1.00 0.00 C ATOM 565 C GLU A 37 -8.520 -6.774 1.606 1.00 0.00 C ATOM 566 O GLU A 37 -8.434 -6.477 0.433 1.00 0.00 O ATOM 567 CB GLU A 37 -8.014 -8.798 2.968 1.00 0.00 C ATOM 568 CG GLU A 37 -8.736 -9.690 3.979 1.00 0.00 C ATOM 569 CD GLU A 37 -9.425 -10.844 3.246 1.00 0.00 C ATOM 570 OE1 GLU A 37 -8.954 -11.208 2.182 1.00 0.00 O ATOM 571 OE2 GLU A 37 -10.411 -11.341 3.763 1.00 0.00 O ATOM 0 H GLU A 37 -8.415 -9.150 0.252 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.985 -8.028 2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.303 -9.388 2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.442 -8.030 3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.025 -10.081 4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.472 -9.107 4.533 1.00 0.00 H new ATOM 578 N THR A 38 -8.185 -5.931 2.548 1.00 0.00 N ATOM 579 CA THR A 38 -7.682 -4.576 2.184 1.00 0.00 C ATOM 580 C THR A 38 -6.524 -4.170 3.098 1.00 0.00 C ATOM 581 O THR A 38 -6.402 -4.630 4.216 1.00 0.00 O ATOM 582 CB THR A 38 -8.820 -3.563 2.312 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.685 -3.954 3.370 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.600 -3.516 0.999 1.00 0.00 C ATOM 0 H THR A 38 -8.238 -6.122 3.549 1.00 0.00 H new ATOM 0 HA THR A 38 -7.321 -4.597 1.156 1.00 0.00 H new ATOM 0 HB THR A 38 -8.412 -2.576 2.528 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.414 -3.304 3.454 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.413 -2.795 1.084 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.933 -3.217 0.190 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.011 -4.503 0.784 1.00 0.00 H new ATOM 592 N LEU A 39 -5.667 -3.310 2.613 1.00 0.00 N ATOM 593 CA LEU A 39 -4.500 -2.855 3.420 1.00 0.00 C ATOM 594 C LEU A 39 -4.266 -1.363 3.152 1.00 0.00 C ATOM 595 O LEU A 39 -3.959 -0.969 2.045 1.00 0.00 O ATOM 596 CB LEU A 39 -3.260 -3.649 2.989 1.00 0.00 C ATOM 597 CG LEU A 39 -1.992 -3.008 3.563 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.679 -3.620 4.925 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.821 -3.266 2.613 1.00 0.00 C ATOM 0 H LEU A 39 -5.728 -2.900 1.681 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.689 -3.014 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.342 -4.680 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.200 -3.680 1.901 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.147 -1.935 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.777 -3.162 5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.513 -3.442 5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.523 -4.693 4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.083 -2.811 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.670 -4.340 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.041 -2.831 1.638 1.00 0.00 H new ATOM 611 N LEU A 40 -4.384 -0.529 4.148 1.00 0.00 N ATOM 612 CA LEU A 40 -4.145 0.923 3.924 1.00 0.00 C ATOM 613 C LEU A 40 -2.656 1.183 4.112 1.00 0.00 C ATOM 614 O LEU A 40 -2.018 0.591 4.959 1.00 0.00 O ATOM 615 CB LEU A 40 -4.954 1.745 4.932 1.00 0.00 C ATOM 616 CG LEU A 40 -4.424 3.181 4.976 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.750 3.888 3.659 1.00 0.00 C ATOM 618 CD2 LEU A 40 -5.089 3.932 6.133 1.00 0.00 C ATOM 0 H LEU A 40 -4.634 -0.789 5.102 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.456 1.212 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.008 1.745 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.887 1.292 5.921 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.344 3.165 5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.372 4.910 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.280 3.354 2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.830 3.905 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.713 4.955 6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.169 3.947 5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.859 3.430 7.073 1.00 0.00 H new ATOM 630 N ILE A 41 -2.083 2.034 3.313 1.00 0.00 N ATOM 631 CA ILE A 41 -0.625 2.285 3.441 1.00 0.00 C ATOM 632 C ILE A 41 -0.323 3.777 3.332 1.00 0.00 C ATOM 633 O ILE A 41 -1.021 4.518 2.675 1.00 0.00 O ATOM 634 CB ILE A 41 0.090 1.548 2.307 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.558 0.164 2.126 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.579 1.413 2.647 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.401 -0.789 1.406 1.00 0.00 C ATOM 0 H ILE A 41 -2.557 2.563 2.581 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.282 1.931 4.413 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.001 2.106 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.827 -0.248 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.481 0.260 1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.090 0.888 1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.016 2.404 2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.691 0.851 3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.075 -1.763 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.648 -0.384 0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.313 -0.900 1.993 1.00 0.00 H new ATOM 649 N ILE A 42 0.745 4.217 3.936 1.00 0.00 N ATOM 650 CA ILE A 42 1.130 5.632 3.825 1.00 0.00 C ATOM 651 C ILE A 42 2.571 5.636 3.391 1.00 0.00 C ATOM 652 O ILE A 42 3.258 4.642 3.490 1.00 0.00 O ATOM 653 CB ILE A 42 1.007 6.350 5.158 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.172 5.778 5.938 1.00 0.00 C ATOM 655 CG2 ILE A 42 0.779 7.847 4.900 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.616 6.806 6.968 1.00 0.00 C ATOM 0 H ILE A 42 1.367 3.643 4.505 1.00 0.00 H new ATOM 0 HA ILE A 42 0.478 6.148 3.120 1.00 0.00 H new ATOM 0 HB ILE A 42 1.920 6.212 5.738 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.993 5.540 5.262 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.115 4.849 6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.689 8.371 5.852 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.622 8.252 4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.137 7.982 4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.459 6.412 7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.209 7.021 7.647 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.916 7.723 6.461 1.00 0.00 H new ATOM 668 N ALA A 43 3.043 6.724 2.915 1.00 0.00 N ATOM 669 CA ALA A 43 4.451 6.760 2.475 1.00 0.00 C ATOM 670 C ALA A 43 4.888 8.198 2.325 1.00 0.00 C ATOM 671 O ALA A 43 4.264 8.974 1.644 1.00 0.00 O ATOM 672 CB ALA A 43 4.587 6.040 1.132 1.00 0.00 C ATOM 0 H ALA A 43 2.524 7.595 2.807 1.00 0.00 H new ATOM 0 HA ALA A 43 5.078 6.262 3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.627 6.067 0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.268 5.003 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.963 6.536 0.389 1.00 0.00 H new ATOM 678 N ASP A 44 5.982 8.550 2.898 1.00 0.00 N ATOM 679 CA ASP A 44 6.468 9.927 2.715 1.00 0.00 C ATOM 680 C ASP A 44 7.591 9.822 1.722 1.00 0.00 C ATOM 681 O ASP A 44 7.868 10.728 0.961 1.00 0.00 O ATOM 682 CB ASP A 44 6.920 10.554 4.046 1.00 0.00 C ATOM 683 CG ASP A 44 8.343 10.138 4.450 1.00 0.00 C ATOM 684 OD1 ASP A 44 9.160 9.882 3.583 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.597 10.103 5.643 1.00 0.00 O ATOM 0 H ASP A 44 6.562 7.949 3.484 1.00 0.00 H new ATOM 0 HA ASP A 44 5.682 10.589 2.352 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.874 11.640 3.965 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.225 10.263 4.833 1.00 0.00 H new ATOM 690 N ASP A 45 8.220 8.680 1.695 1.00 0.00 N ATOM 691 CA ASP A 45 9.300 8.479 0.712 1.00 0.00 C ATOM 692 C ASP A 45 8.692 8.638 -0.690 1.00 0.00 C ATOM 693 O ASP A 45 7.573 8.226 -0.923 1.00 0.00 O ATOM 694 CB ASP A 45 9.857 7.089 0.924 1.00 0.00 C ATOM 695 CG ASP A 45 10.511 6.555 -0.352 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.654 6.903 -0.599 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.863 5.800 -1.054 1.00 0.00 O ATOM 0 H ASP A 45 8.029 7.888 2.309 1.00 0.00 H new ATOM 0 HA ASP A 45 10.108 9.201 0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.589 7.107 1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.057 6.417 1.234 1.00 0.00 H new ATOM 702 N PRO A 46 9.429 9.254 -1.575 1.00 0.00 N ATOM 703 CA PRO A 46 8.966 9.509 -2.952 1.00 0.00 C ATOM 704 C PRO A 46 9.068 8.239 -3.790 1.00 0.00 C ATOM 705 O PRO A 46 8.452 8.108 -4.828 1.00 0.00 O ATOM 706 CB PRO A 46 9.935 10.577 -3.461 1.00 0.00 C ATOM 707 CG PRO A 46 11.207 10.469 -2.586 1.00 0.00 C ATOM 708 CD PRO A 46 10.792 9.741 -1.294 1.00 0.00 C ATOM 0 HA PRO A 46 7.924 9.825 -3.005 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.173 10.416 -4.512 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.493 11.570 -3.383 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.990 9.918 -3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.608 11.457 -2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.470 8.918 -1.065 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.806 10.413 -0.436 1.00 0.00 H new ATOM 716 N ALA A 47 9.848 7.308 -3.340 1.00 0.00 N ATOM 717 CA ALA A 47 10.013 6.035 -4.100 1.00 0.00 C ATOM 718 C ALA A 47 8.960 5.019 -3.655 1.00 0.00 C ATOM 719 O ALA A 47 8.887 3.925 -4.177 1.00 0.00 O ATOM 720 CB ALA A 47 11.410 5.465 -3.848 1.00 0.00 C ATOM 0 H ALA A 47 10.384 7.368 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 47 9.887 6.237 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.529 4.535 -4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.161 6.183 -4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.537 5.270 -2.783 1.00 0.00 H new ATOM 726 N THR A 48 8.150 5.361 -2.693 1.00 0.00 N ATOM 727 CA THR A 48 7.112 4.401 -2.224 1.00 0.00 C ATOM 728 C THR A 48 5.849 4.566 -3.065 1.00 0.00 C ATOM 729 O THR A 48 5.202 3.603 -3.427 1.00 0.00 O ATOM 730 CB THR A 48 6.784 4.678 -0.757 1.00 0.00 C ATOM 731 OG1 THR A 48 6.733 6.083 -0.541 1.00 0.00 O ATOM 732 CG2 THR A 48 7.864 4.057 0.125 1.00 0.00 C ATOM 0 H THR A 48 8.161 6.261 -2.212 1.00 0.00 H new ATOM 0 HA THR A 48 7.488 3.383 -2.326 1.00 0.00 H new ATOM 0 HB THR A 48 5.817 4.242 -0.506 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.644 6.440 -0.493 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.635 4.252 1.173 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.898 2.981 -0.045 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.831 4.494 -0.122 1.00 0.00 H new ATOM 740 N THR A 49 5.492 5.775 -3.386 1.00 0.00 N ATOM 741 CA THR A 49 4.270 5.983 -4.213 1.00 0.00 C ATOM 742 C THR A 49 4.432 5.207 -5.509 1.00 0.00 C ATOM 743 O THR A 49 3.477 4.761 -6.108 1.00 0.00 O ATOM 744 CB THR A 49 4.096 7.466 -4.562 1.00 0.00 C ATOM 745 OG1 THR A 49 4.755 7.739 -5.792 1.00 0.00 O ATOM 746 CG2 THR A 49 4.698 8.340 -3.468 1.00 0.00 C ATOM 0 H THR A 49 5.988 6.624 -3.115 1.00 0.00 H new ATOM 0 HA THR A 49 3.400 5.644 -3.651 1.00 0.00 H new ATOM 0 HB THR A 49 3.032 7.687 -4.650 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.644 8.686 -6.019 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.568 9.390 -3.728 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.197 8.136 -2.522 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.761 8.120 -3.370 1.00 0.00 H new ATOM 754 N ARG A 50 5.642 5.078 -5.965 1.00 0.00 N ATOM 755 CA ARG A 50 5.870 4.359 -7.251 1.00 0.00 C ATOM 756 C ARG A 50 6.258 2.893 -7.030 1.00 0.00 C ATOM 757 O ARG A 50 5.899 2.027 -7.803 1.00 0.00 O ATOM 758 CB ARG A 50 6.993 5.055 -8.015 1.00 0.00 C ATOM 759 CG ARG A 50 6.468 6.361 -8.613 1.00 0.00 C ATOM 760 CD ARG A 50 6.552 6.296 -10.139 1.00 0.00 C ATOM 761 NE ARG A 50 5.480 7.144 -10.732 1.00 0.00 N ATOM 762 CZ ARG A 50 5.362 7.232 -12.029 1.00 0.00 C ATOM 763 NH1 ARG A 50 4.644 6.356 -12.678 1.00 0.00 N ATOM 764 NH2 ARG A 50 5.960 8.195 -12.674 1.00 0.00 N ATOM 0 H ARG A 50 6.481 5.436 -5.509 1.00 0.00 H new ATOM 0 HA ARG A 50 4.938 4.379 -7.815 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.830 5.259 -7.347 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.367 4.405 -8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.436 6.526 -8.302 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.052 7.203 -8.242 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.530 6.640 -10.475 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.443 5.265 -10.476 1.00 0.00 H new ATOM 0 HE ARG A 50 4.839 7.655 -10.125 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.176 5.604 -12.172 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.551 6.423 -13.691 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.520 8.879 -12.165 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.868 8.264 -13.687 1.00 0.00 H new ATOM 778 N ASP A 51 7.033 2.613 -6.025 1.00 0.00 N ATOM 779 CA ASP A 51 7.493 1.206 -5.809 1.00 0.00 C ATOM 780 C ASP A 51 6.509 0.381 -4.972 1.00 0.00 C ATOM 781 O ASP A 51 6.222 -0.753 -5.293 1.00 0.00 O ATOM 782 CB ASP A 51 8.844 1.237 -5.093 1.00 0.00 C ATOM 783 CG ASP A 51 9.847 2.038 -5.925 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.464 2.517 -6.979 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.981 2.158 -5.492 1.00 0.00 O ATOM 0 H ASP A 51 7.371 3.291 -5.342 1.00 0.00 H new ATOM 0 HA ASP A 51 7.567 0.731 -6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.734 1.686 -4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.210 0.222 -4.942 1.00 0.00 H new ATOM 790 N ILE A 52 6.017 0.909 -3.891 1.00 0.00 N ATOM 791 CA ILE A 52 5.089 0.101 -3.042 1.00 0.00 C ATOM 792 C ILE A 52 3.924 -0.442 -3.867 1.00 0.00 C ATOM 793 O ILE A 52 3.617 -1.615 -3.783 1.00 0.00 O ATOM 794 CB ILE A 52 4.586 0.950 -1.862 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.531 0.750 -0.673 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.162 0.536 -1.462 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.872 1.267 0.608 1.00 0.00 C ATOM 0 H ILE A 52 6.211 1.853 -3.557 1.00 0.00 H new ATOM 0 HA ILE A 52 5.634 -0.756 -2.646 1.00 0.00 H new ATOM 0 HB ILE A 52 4.568 1.999 -2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.776 -0.307 -0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.468 1.278 -0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.826 1.149 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.490 0.678 -2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.157 -0.513 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.549 1.122 1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.650 2.329 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.947 0.719 0.788 1.00 0.00 H new ATOM 809 N PRO A 53 3.305 0.399 -4.637 1.00 0.00 N ATOM 810 CA PRO A 53 2.178 -0.023 -5.467 1.00 0.00 C ATOM 811 C PRO A 53 2.673 -0.856 -6.630 1.00 0.00 C ATOM 812 O PRO A 53 2.201 -1.942 -6.859 1.00 0.00 O ATOM 813 CB PRO A 53 1.551 1.278 -5.929 1.00 0.00 C ATOM 814 CG PRO A 53 2.634 2.369 -5.779 1.00 0.00 C ATOM 815 CD PRO A 53 3.665 1.825 -4.774 1.00 0.00 C ATOM 0 HA PRO A 53 1.460 -0.649 -4.937 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.219 1.202 -6.964 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.673 1.519 -5.330 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.104 2.584 -6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.198 3.302 -5.421 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.684 1.947 -5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.606 2.346 -3.818 1.00 0.00 H new ATOM 823 N GLY A 54 3.637 -0.377 -7.353 1.00 0.00 N ATOM 824 CA GLY A 54 4.154 -1.194 -8.478 1.00 0.00 C ATOM 825 C GLY A 54 4.424 -2.596 -7.951 1.00 0.00 C ATOM 826 O GLY A 54 4.388 -3.565 -8.684 1.00 0.00 O ATOM 0 H GLY A 54 4.085 0.530 -7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.429 -1.225 -9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.067 -0.755 -8.881 1.00 0.00 H new ATOM 830 N PHE A 55 4.671 -2.717 -6.674 1.00 0.00 N ATOM 831 CA PHE A 55 4.909 -4.063 -6.103 1.00 0.00 C ATOM 832 C PHE A 55 3.570 -4.795 -5.968 1.00 0.00 C ATOM 833 O PHE A 55 3.422 -5.914 -6.420 1.00 0.00 O ATOM 834 CB PHE A 55 5.593 -3.922 -4.732 1.00 0.00 C ATOM 835 CG PHE A 55 5.164 -5.046 -3.815 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.117 -6.363 -4.288 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.788 -4.763 -2.502 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.688 -7.392 -3.448 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.367 -5.795 -1.662 1.00 0.00 C ATOM 840 CZ PHE A 55 4.314 -7.109 -2.135 1.00 0.00 C ATOM 0 H PHE A 55 4.717 -1.944 -6.010 1.00 0.00 H new ATOM 0 HA PHE A 55 5.561 -4.640 -6.759 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.676 -3.937 -4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.336 -2.961 -4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.413 -6.583 -5.303 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.823 -3.747 -2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.646 -8.407 -3.815 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.081 -5.578 -0.643 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.984 -7.905 -1.484 1.00 0.00 H new ATOM 850 N CYS A 56 2.596 -4.194 -5.338 1.00 0.00 N ATOM 851 CA CYS A 56 1.297 -4.898 -5.181 1.00 0.00 C ATOM 852 C CYS A 56 0.788 -5.348 -6.544 1.00 0.00 C ATOM 853 O CYS A 56 0.255 -6.424 -6.686 1.00 0.00 O ATOM 854 CB CYS A 56 0.285 -3.957 -4.538 1.00 0.00 C ATOM 855 SG CYS A 56 0.550 -3.946 -2.749 1.00 0.00 S ATOM 0 H CYS A 56 2.644 -3.260 -4.932 1.00 0.00 H new ATOM 0 HA CYS A 56 1.433 -5.773 -4.545 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.396 -2.951 -4.942 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.730 -4.282 -4.767 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.282 -4.768 -2.182 1.00 0.00 H new ATOM 861 N THR A 57 0.947 -4.541 -7.549 1.00 0.00 N ATOM 862 CA THR A 57 0.459 -4.941 -8.899 1.00 0.00 C ATOM 863 C THR A 57 1.197 -6.199 -9.362 1.00 0.00 C ATOM 864 O THR A 57 0.652 -7.028 -10.065 1.00 0.00 O ATOM 865 CB THR A 57 0.723 -3.811 -9.891 1.00 0.00 C ATOM 866 OG1 THR A 57 0.171 -2.601 -9.389 1.00 0.00 O ATOM 867 CG2 THR A 57 0.077 -4.154 -11.232 1.00 0.00 C ATOM 0 H THR A 57 1.392 -3.624 -7.499 1.00 0.00 H new ATOM 0 HA THR A 57 -0.611 -5.144 -8.848 1.00 0.00 H new ATOM 0 HB THR A 57 1.797 -3.687 -10.027 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.342 -1.875 -10.025 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.264 -3.349 -11.942 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.503 -5.082 -11.614 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.998 -4.277 -11.097 1.00 0.00 H new ATOM 875 N PHE A 58 2.437 -6.336 -8.992 1.00 0.00 N ATOM 876 CA PHE A 58 3.225 -7.525 -9.425 1.00 0.00 C ATOM 877 C PHE A 58 2.736 -8.799 -8.725 1.00 0.00 C ATOM 878 O PHE A 58 2.733 -9.866 -9.306 1.00 0.00 O ATOM 879 CB PHE A 58 4.698 -7.300 -9.078 1.00 0.00 C ATOM 880 CG PHE A 58 5.556 -8.221 -9.910 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.534 -9.601 -9.678 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.377 -7.692 -10.912 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.331 -10.453 -10.451 1.00 0.00 C ATOM 884 CE2 PHE A 58 7.175 -8.544 -11.684 1.00 0.00 C ATOM 885 CZ PHE A 58 7.152 -9.925 -11.453 1.00 0.00 C ATOM 0 H PHE A 58 2.943 -5.673 -8.405 1.00 0.00 H new ATOM 0 HA PHE A 58 3.098 -7.651 -10.500 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.972 -6.262 -9.265 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.866 -7.488 -8.018 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.902 -10.008 -8.903 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.395 -6.627 -11.090 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.312 -11.518 -10.274 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.809 -8.136 -12.458 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.768 -10.582 -12.048 1.00 0.00 H new ATOM 895 N MET A 59 2.350 -8.716 -7.479 1.00 0.00 N ATOM 896 CA MET A 59 1.902 -9.953 -6.768 1.00 0.00 C ATOM 897 C MET A 59 0.422 -10.252 -7.042 1.00 0.00 C ATOM 898 O MET A 59 -0.144 -11.156 -6.461 1.00 0.00 O ATOM 899 CB MET A 59 2.127 -9.795 -5.272 1.00 0.00 C ATOM 900 CG MET A 59 3.581 -10.130 -4.928 1.00 0.00 C ATOM 901 SD MET A 59 3.950 -11.837 -5.401 1.00 0.00 S ATOM 902 CE MET A 59 5.542 -11.508 -6.199 1.00 0.00 C ATOM 0 H MET A 59 2.325 -7.858 -6.928 1.00 0.00 H new ATOM 0 HA MET A 59 2.490 -10.791 -7.143 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.897 -8.774 -4.966 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.453 -10.452 -4.722 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.253 -9.447 -5.447 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.751 -9.995 -3.860 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.893 -12.412 -6.697 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.423 -10.712 -6.934 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.269 -11.202 -5.447 1.00 0.00 H new ATOM 912 N GLU A 60 -0.201 -9.520 -7.927 1.00 0.00 N ATOM 913 CA GLU A 60 -1.642 -9.783 -8.256 1.00 0.00 C ATOM 914 C GLU A 60 -2.570 -9.127 -7.227 1.00 0.00 C ATOM 915 O GLU A 60 -3.687 -9.559 -7.023 1.00 0.00 O ATOM 916 CB GLU A 60 -1.900 -11.291 -8.286 1.00 0.00 C ATOM 917 CG GLU A 60 -0.727 -11.997 -8.970 1.00 0.00 C ATOM 918 CD GLU A 60 -1.262 -13.064 -9.927 1.00 0.00 C ATOM 919 OE1 GLU A 60 -2.144 -13.805 -9.524 1.00 0.00 O ATOM 920 OE2 GLU A 60 -0.780 -13.122 -11.047 1.00 0.00 O ATOM 0 H GLU A 60 0.223 -8.748 -8.440 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.851 -9.353 -9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.024 -11.670 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.826 -11.501 -8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.122 -11.274 -9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.079 -12.455 -8.223 1.00 0.00 H new ATOM 927 N HIS A 61 -2.128 -8.081 -6.592 1.00 0.00 N ATOM 928 CA HIS A 61 -2.980 -7.387 -5.595 1.00 0.00 C ATOM 929 C HIS A 61 -3.659 -6.203 -6.278 1.00 0.00 C ATOM 930 O HIS A 61 -3.389 -5.908 -7.425 1.00 0.00 O ATOM 931 CB HIS A 61 -2.097 -6.889 -4.456 1.00 0.00 C ATOM 932 CG HIS A 61 -1.233 -8.020 -3.987 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.533 -9.338 -4.283 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.073 -8.052 -3.256 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.574 -10.103 -3.739 1.00 0.00 C ATOM 936 NE2 HIS A 61 0.343 -9.371 -3.100 1.00 0.00 N ATOM 0 H HIS A 61 -1.202 -7.674 -6.724 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.736 -8.064 -5.198 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.479 -6.057 -4.793 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.712 -6.518 -3.636 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.337 -9.668 -4.817 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.439 -7.187 -2.862 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.547 -11.180 -3.809 1.00 0.00 H new ATOM 944 N GLU A 62 -4.550 -5.530 -5.607 1.00 0.00 N ATOM 945 CA GLU A 62 -5.236 -4.390 -6.264 1.00 0.00 C ATOM 946 C GLU A 62 -5.044 -3.109 -5.470 1.00 0.00 C ATOM 947 O GLU A 62 -5.127 -3.092 -4.263 1.00 0.00 O ATOM 948 CB GLU A 62 -6.730 -4.672 -6.340 1.00 0.00 C ATOM 949 CG GLU A 62 -7.058 -5.382 -7.655 1.00 0.00 C ATOM 950 CD GLU A 62 -8.187 -6.389 -7.424 1.00 0.00 C ATOM 951 OE1 GLU A 62 -9.150 -6.029 -6.768 1.00 0.00 O ATOM 952 OE2 GLU A 62 -8.070 -7.502 -7.909 1.00 0.00 O ATOM 0 H GLU A 62 -4.829 -5.718 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.809 -4.270 -7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.036 -5.291 -5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.289 -3.739 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.355 -4.654 -8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.173 -5.893 -8.035 1.00 0.00 H new ATOM 959 N LEU A 63 -4.859 -2.028 -6.161 1.00 0.00 N ATOM 960 CA LEU A 63 -4.736 -0.712 -5.482 1.00 0.00 C ATOM 961 C LEU A 63 -6.168 -0.237 -5.273 1.00 0.00 C ATOM 962 O LEU A 63 -6.822 0.204 -6.197 1.00 0.00 O ATOM 963 CB LEU A 63 -3.954 0.260 -6.385 1.00 0.00 C ATOM 964 CG LEU A 63 -4.381 1.713 -6.134 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.855 2.187 -4.778 1.00 0.00 C ATOM 966 CD2 LEU A 63 -3.804 2.605 -7.236 1.00 0.00 C ATOM 0 H LEU A 63 -4.787 -1.996 -7.178 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.198 -0.772 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.885 0.154 -6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.122 0.004 -7.431 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.469 1.772 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.163 3.219 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.260 1.553 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.767 2.127 -4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.104 3.638 -7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.716 2.537 -7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.180 2.276 -8.205 1.00 0.00 H new ATOM 978 N VAL A 64 -6.695 -0.377 -4.091 1.00 0.00 N ATOM 979 CA VAL A 64 -8.090 0.004 -3.876 1.00 0.00 C ATOM 980 C VAL A 64 -8.248 1.531 -3.928 1.00 0.00 C ATOM 981 O VAL A 64 -9.113 2.033 -4.619 1.00 0.00 O ATOM 982 CB VAL A 64 -8.516 -0.588 -2.544 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.892 -0.091 -2.193 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.578 -2.107 -2.670 1.00 0.00 C ATOM 0 H VAL A 64 -6.209 -0.741 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.736 -0.385 -4.663 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.801 -0.296 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.199 -0.515 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.878 0.996 -2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.597 -0.394 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.883 -2.539 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.300 -2.379 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.595 -2.490 -2.943 1.00 0.00 H new ATOM 994 N ALA A 65 -7.435 2.291 -3.236 1.00 0.00 N ATOM 995 CA ALA A 65 -7.604 3.781 -3.326 1.00 0.00 C ATOM 996 C ALA A 65 -6.251 4.495 -3.184 1.00 0.00 C ATOM 997 O ALA A 65 -5.493 4.235 -2.302 1.00 0.00 O ATOM 998 CB ALA A 65 -8.543 4.251 -2.214 1.00 0.00 C ATOM 0 H ALA A 65 -6.683 1.962 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.025 4.025 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.668 5.332 -2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.513 3.766 -2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.118 3.990 -1.245 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.919 5.394 -4.050 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.612 6.065 -3.902 1.00 0.00 C ATOM 1006 C LYS A 66 -4.773 7.414 -3.227 1.00 0.00 C ATOM 1007 O LYS A 66 -5.840 7.994 -3.183 1.00 0.00 O ATOM 1008 CB LYS A 66 -4.003 6.277 -5.264 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.405 5.132 -6.165 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.678 5.488 -6.936 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.345 5.667 -8.418 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.017 4.599 -9.210 1.00 0.00 N ATOM 0 H LYS A 66 -6.486 5.692 -4.844 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.968 5.434 -3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.341 7.224 -5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.917 6.332 -5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.599 4.909 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.570 4.233 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.422 4.702 -6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.113 6.404 -6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.673 6.649 -8.759 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.266 5.621 -8.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.777 4.710 -10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.696 3.667 -8.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.047 4.674 -9.089 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.698 7.911 -2.711 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.718 9.226 -2.034 1.00 0.00 C ATOM 1028 C GLU A 67 -2.471 10.024 -2.423 1.00 0.00 C ATOM 1029 O GLU A 67 -1.363 9.686 -2.059 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.739 9.004 -0.536 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.185 8.948 -0.039 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.797 10.349 -0.092 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -5.089 11.272 -0.459 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.966 10.475 0.235 1.00 0.00 O ATOM 0 H GLU A 67 -2.786 7.454 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.604 9.785 -2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.224 8.075 -0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.203 9.809 -0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.766 8.262 -0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.216 8.564 0.981 1.00 0.00 H new ATOM 1041 N THR A 68 -2.649 11.084 -3.159 1.00 0.00 N ATOM 1042 CA THR A 68 -1.488 11.920 -3.578 1.00 0.00 C ATOM 1043 C THR A 68 -1.870 13.387 -3.406 1.00 0.00 C ATOM 1044 O THR A 68 -1.431 14.248 -4.142 1.00 0.00 O ATOM 1045 CB THR A 68 -1.164 11.643 -5.049 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.262 12.045 -5.856 1.00 0.00 O ATOM 1047 CG2 THR A 68 -0.904 10.149 -5.243 1.00 0.00 C ATOM 0 H THR A 68 -3.556 11.411 -3.492 1.00 0.00 H new ATOM 0 HA THR A 68 -0.613 11.685 -2.972 1.00 0.00 H new ATOM 0 HB THR A 68 -0.275 12.203 -5.339 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.057 11.870 -6.798 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.674 9.953 -6.290 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.062 9.843 -4.622 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.791 9.585 -4.955 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.697 13.672 -2.436 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.125 15.083 -2.212 1.00 0.00 C ATOM 1057 C ASP A 69 -2.031 15.850 -1.475 1.00 0.00 C ATOM 1058 O ASP A 69 -2.194 16.997 -1.106 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.401 15.098 -1.375 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.487 14.284 -2.083 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.475 14.252 -3.303 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -6.312 13.708 -1.395 1.00 0.00 O ATOM 0 H ASP A 69 -3.094 12.990 -1.790 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.309 15.557 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.205 14.681 -0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.739 16.124 -1.227 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.920 15.222 -1.263 1.00 0.00 N ATOM 1068 CA GLY A 70 0.194 15.877 -0.562 1.00 0.00 C ATOM 1069 C GLY A 70 0.708 14.951 0.518 1.00 0.00 C ATOM 1070 O GLY A 70 -0.028 14.450 1.345 1.00 0.00 O ATOM 0 H GLY A 70 -0.737 14.262 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.992 16.116 -1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.138 16.818 -0.124 1.00 0.00 H new ATOM 1074 N LEU A 71 1.969 14.724 0.485 1.00 0.00 N ATOM 1075 CA LEU A 71 2.620 13.823 1.471 1.00 0.00 C ATOM 1076 C LEU A 71 1.950 13.953 2.849 1.00 0.00 C ATOM 1077 O LEU A 71 1.511 15.018 3.234 1.00 0.00 O ATOM 1078 CB LEU A 71 4.099 14.180 1.607 1.00 0.00 C ATOM 1079 CG LEU A 71 4.818 13.906 0.298 1.00 0.00 C ATOM 1080 CD1 LEU A 71 5.972 14.896 0.127 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.370 12.481 0.319 1.00 0.00 C ATOM 0 H LEU A 71 2.605 15.132 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 71 2.515 12.798 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.205 15.230 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.551 13.597 2.409 1.00 0.00 H new ATOM 0 HG LEU A 71 4.121 14.020 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.486 14.697 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.580 15.913 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.673 14.784 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.888 12.278 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.068 12.373 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.549 11.775 0.441 1.00 0.00 H new ATOM 1093 N PRO A 72 1.918 12.848 3.546 1.00 0.00 N ATOM 1094 CA PRO A 72 2.461 11.588 3.035 1.00 0.00 C ATOM 1095 C PRO A 72 1.428 10.942 2.114 1.00 0.00 C ATOM 1096 O PRO A 72 0.236 11.064 2.310 1.00 0.00 O ATOM 1097 CB PRO A 72 2.645 10.731 4.273 1.00 0.00 C ATOM 1098 CG PRO A 72 1.649 11.289 5.308 1.00 0.00 C ATOM 1099 CD PRO A 72 1.353 12.749 4.901 1.00 0.00 C ATOM 0 HA PRO A 72 3.386 11.715 2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.442 9.682 4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.669 10.789 4.642 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.733 10.698 5.321 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.070 11.246 6.312 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.283 12.958 4.906 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.820 13.459 5.584 1.00 0.00 H new ATOM 1107 N TYR A 73 1.881 10.255 1.124 1.00 0.00 N ATOM 1108 CA TYR A 73 0.949 9.583 0.182 1.00 0.00 C ATOM 1109 C TYR A 73 0.272 8.410 0.869 1.00 0.00 C ATOM 1110 O TYR A 73 0.735 7.925 1.875 1.00 0.00 O ATOM 1111 CB TYR A 73 1.713 8.985 -0.973 1.00 0.00 C ATOM 1112 CG TYR A 73 2.809 9.891 -1.420 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.535 10.998 -2.223 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.112 9.574 -1.075 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.582 11.804 -2.672 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.170 10.359 -1.529 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.906 11.485 -2.327 1.00 0.00 C ATOM 1118 OH TYR A 73 5.948 12.270 -2.782 1.00 0.00 O ATOM 0 H TYR A 73 2.871 10.123 0.917 1.00 0.00 H new ATOM 0 HA TYR A 73 0.231 10.331 -0.153 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.131 8.023 -0.677 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.033 8.795 -1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.516 11.231 -2.496 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.309 8.715 -0.451 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.375 12.670 -3.283 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.187 10.104 -1.269 1.00 0.00 H new ATOM 0 HH TYR A 73 5.638 13.193 -2.893 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.780 7.898 0.302 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.415 6.717 0.896 1.00 0.00 C ATOM 1130 C ARG A 74 -2.021 5.906 -0.213 1.00 0.00 C ATOM 1131 O ARG A 74 -2.370 6.413 -1.243 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.475 7.117 1.895 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.820 7.238 3.261 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.671 8.098 4.206 1.00 0.00 C ATOM 1135 NE ARG A 74 -3.600 8.964 3.422 1.00 0.00 N ATOM 1136 CZ ARG A 74 -3.268 10.195 3.144 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -2.009 10.532 3.079 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -4.194 11.089 2.930 1.00 0.00 N ATOM 0 H ARG A 74 -1.220 8.253 -0.547 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.669 6.129 1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.931 8.064 1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.273 6.375 1.920 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.683 6.246 3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.829 7.680 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.241 7.457 4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.024 8.717 4.828 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.495 8.593 3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.285 9.833 3.245 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.749 11.494 2.862 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.178 10.826 2.980 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.934 12.051 2.713 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.138 4.649 -0.015 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.702 3.803 -1.076 1.00 0.00 C ATOM 1154 C TYR A 75 -3.345 2.594 -0.446 1.00 0.00 C ATOM 1155 O TYR A 75 -2.705 1.856 0.279 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.600 3.323 -2.006 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.476 4.322 -2.051 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.589 5.507 -2.778 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.696 4.024 -1.387 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.490 6.396 -2.840 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.780 4.909 -1.431 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.678 6.096 -2.165 1.00 0.00 C ATOM 1163 OH TYR A 75 2.749 6.963 -2.231 1.00 0.00 O ATOM 0 H TYR A 75 -1.868 4.161 0.839 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.432 4.383 -1.641 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.224 2.358 -1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.001 3.173 -3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.510 5.739 -3.293 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.778 3.102 -0.830 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.406 7.311 -3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.691 4.676 -0.900 1.00 0.00 H new ATOM 0 HH TYR A 75 3.504 6.588 -1.732 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.579 2.340 -0.724 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.171 1.156 -0.149 1.00 0.00 C ATOM 1175 C LEU A 76 -4.892 0.031 -1.124 1.00 0.00 C ATOM 1176 O LEU A 76 -4.767 0.272 -2.307 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.672 1.280 -0.016 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.194 -0.006 0.596 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.944 0.003 2.099 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.672 -0.108 0.308 1.00 0.00 C ATOM 0 H LEU A 76 -5.186 2.903 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.756 0.990 0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.930 2.133 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.128 1.451 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.679 -0.866 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.320 -0.922 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.874 0.085 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.459 0.852 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.064 -1.028 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.188 0.747 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.833 -0.117 -0.770 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.800 -1.181 -0.689 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.543 -2.248 -1.665 1.00 0.00 C ATOM 1194 C ILE A 77 -5.303 -3.511 -1.273 1.00 0.00 C ATOM 1195 O ILE A 77 -4.956 -4.188 -0.325 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.046 -2.513 -1.688 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.319 -1.170 -1.833 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.703 -3.439 -2.858 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.893 -1.388 -2.340 1.00 0.00 C ATOM 0 H ILE A 77 -4.890 -1.474 0.284 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.883 -1.946 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.732 -3.000 -0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.863 -0.527 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.296 -0.656 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.629 -3.626 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.235 -4.383 -2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.000 -2.967 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.390 -0.426 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.347 -2.012 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.924 -1.881 -3.311 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.344 -3.832 -1.992 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.122 -5.053 -1.648 1.00 0.00 C ATOM 1213 C ARG A 78 -6.319 -6.298 -2.044 1.00 0.00 C ATOM 1214 O ARG A 78 -6.079 -6.546 -3.209 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.455 -5.025 -2.406 1.00 0.00 C ATOM 1216 CG ARG A 78 -9.075 -6.425 -2.438 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.600 -6.307 -2.435 1.00 0.00 C ATOM 1218 NE ARG A 78 -11.178 -7.365 -1.561 1.00 0.00 N ATOM 1219 CZ ARG A 78 -12.462 -7.389 -1.324 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -13.307 -7.505 -2.312 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -12.902 -7.297 -0.099 1.00 0.00 N ATOM 0 H ARG A 78 -6.686 -3.306 -2.796 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.315 -5.082 -0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.140 -4.327 -1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.296 -4.666 -3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.743 -6.961 -3.327 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.742 -7.002 -1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.898 -5.322 -2.077 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.985 -6.408 -3.450 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.570 -8.072 -1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.965 -7.577 -3.270 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.310 -7.524 -2.126 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.243 -7.206 0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.905 -7.316 0.085 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.915 -7.098 -1.083 1.00 0.00 N ATOM 1236 CA LYS A 79 -5.149 -8.331 -1.423 1.00 0.00 C ATOM 1237 C LYS A 79 -6.014 -9.162 -2.355 1.00 0.00 C ATOM 1238 O LYS A 79 -7.210 -9.272 -2.154 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.854 -9.140 -0.156 1.00 0.00 C ATOM 1240 CG LYS A 79 -4.426 -10.561 -0.554 1.00 0.00 C ATOM 1241 CD LYS A 79 -3.247 -11.021 0.306 1.00 0.00 C ATOM 1242 CE LYS A 79 -2.122 -9.983 0.243 1.00 0.00 C ATOM 1243 NZ LYS A 79 -1.979 -9.491 -1.155 1.00 0.00 N ATOM 0 H LYS A 79 -6.083 -6.948 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.201 -8.067 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.066 -8.658 0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.738 -9.178 0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.264 -11.248 -0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.147 -10.582 -1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.570 -11.159 1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.883 -11.987 -0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.342 -9.151 0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.185 -10.425 0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.970 -9.383 -1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.411 -10.174 -1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.456 -8.572 -1.250 1.00 0.00 H new