USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 68 HIS : no HE2:sc= 1.15 K(o=1.9,f=-7.3!) USER MOD Set 1.2: A 70 ASN : amide:sc= 0.733 K(o=1.9,f=-5.6!) USER MOD Set 2.1: A 9 MET CE :methyl 176:sc= -0.865 (180deg=-0.952) USER MOD Set 2.2: A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.24 F(o=-3.3!,f=-0.24) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -160:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 154:sc= 0.29 (180deg=0.0961) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 31 SER OG : rot -98:sc= 0.522 USER MOD Single : A 33 SER OG : rot -177:sc= 0.884 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 121:sc= 0.124 USER MOD Single : A 63 GLN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0285 USER MOD Single : A 77 LYS NZ :NH3+ -166:sc= -0.0341 (180deg=-0.24) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -130:sc= 0 USER MOD Single : A 86 MET CE :methyl 165:sc= -1.15 (180deg=-1.36) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -11.637 -14.142 7.711 1.00 22.24 N ATOM 38 CA VAL A 5 -12.453 -13.295 6.887 1.00 25.11 C ATOM 39 C VAL A 5 -13.939 -13.667 7.030 1.00 12.35 C ATOM 40 O VAL A 5 -14.324 -14.817 6.756 1.00 32.01 O ATOM 41 CB VAL A 5 -12.073 -13.470 5.404 1.00 0.14 C ATOM 42 CG1 VAL A 5 -12.609 -12.338 4.559 1.00 5.42 C ATOM 43 CG2 VAL A 5 -10.586 -13.651 5.213 1.00 11.00 C ATOM 0 HA VAL A 5 -12.289 -12.267 7.209 1.00 25.11 H new ATOM 0 HB VAL A 5 -12.547 -14.390 5.062 1.00 0.14 H new ATOM 0 HG11 VAL A 5 -12.323 -12.493 3.519 1.00 5.42 H new ATOM 0 HG12 VAL A 5 -13.696 -12.310 4.636 1.00 5.42 H new ATOM 0 HG13 VAL A 5 -12.196 -11.393 4.912 1.00 5.42 H new ATOM 0 HG21 VAL A 5 -10.367 -13.770 4.152 1.00 11.00 H new ATOM 0 HG22 VAL A 5 -10.061 -12.776 5.596 1.00 11.00 H new ATOM 0 HG23 VAL A 5 -10.255 -14.538 5.754 1.00 11.00 H new ATOM 53 N PRO A 6 -14.781 -12.730 7.485 1.00 41.21 N ATOM 54 CA PRO A 6 -16.231 -12.924 7.527 1.00 51.22 C ATOM 55 C PRO A 6 -16.829 -12.814 6.124 1.00 14.31 C ATOM 56 O PRO A 6 -16.180 -12.292 5.199 1.00 72.14 O ATOM 57 CB PRO A 6 -16.741 -11.745 8.368 1.00 42.21 C ATOM 58 CG PRO A 6 -15.533 -11.101 8.945 1.00 1.41 C ATOM 59 CD PRO A 6 -14.393 -11.431 8.032 1.00 12.32 C ATOM 0 HA PRO A 6 -16.500 -13.901 7.928 1.00 51.22 H new ATOM 0 HB2 PRO A 6 -17.302 -11.041 7.753 1.00 42.21 H new ATOM 0 HB3 PRO A 6 -17.413 -12.088 9.154 1.00 42.21 H new ATOM 0 HG2 PRO A 6 -15.668 -10.022 9.021 1.00 1.41 H new ATOM 0 HG3 PRO A 6 -15.341 -11.470 9.953 1.00 1.41 H new ATOM 0 HD2 PRO A 6 -14.272 -10.682 7.249 1.00 12.32 H new ATOM 0 HD3 PRO A 6 -13.447 -11.485 8.570 1.00 12.32 H new ATOM 67 N ALA A 7 -18.057 -13.254 5.960 1.00 31.40 N ATOM 68 CA ALA A 7 -18.715 -13.179 4.695 1.00 75.15 C ATOM 69 C ALA A 7 -19.355 -11.818 4.519 1.00 54.33 C ATOM 70 O ALA A 7 -20.575 -11.659 4.569 1.00 52.10 O ATOM 71 CB ALA A 7 -19.715 -14.293 4.516 1.00 41.23 C ATOM 0 H ALA A 7 -18.617 -13.671 6.703 1.00 31.40 H new ATOM 0 HA ALA A 7 -17.965 -13.308 3.914 1.00 75.15 H new ATOM 0 HB1 ALA A 7 -20.193 -14.199 3.541 1.00 41.23 H new ATOM 0 HB2 ALA A 7 -19.204 -15.254 4.579 1.00 41.23 H new ATOM 0 HB3 ALA A 7 -20.471 -14.232 5.299 1.00 41.23 H new ATOM 77 N ASP A 8 -18.493 -10.847 4.387 1.00 70.54 N ATOM 78 CA ASP A 8 -18.847 -9.444 4.192 1.00 42.12 C ATOM 79 C ASP A 8 -17.597 -8.702 3.777 1.00 40.54 C ATOM 80 O ASP A 8 -17.636 -7.724 3.020 1.00 35.31 O ATOM 81 CB ASP A 8 -19.401 -8.830 5.490 1.00 13.00 C ATOM 82 CG ASP A 8 -19.786 -7.371 5.335 1.00 32.23 C ATOM 83 OD1 ASP A 8 -20.874 -7.095 4.792 1.00 54.14 O ATOM 84 OD2 ASP A 8 -19.007 -6.481 5.754 1.00 75.24 O ATOM 0 H ASP A 8 -17.485 -11.004 4.411 1.00 70.54 H new ATOM 0 HA ASP A 8 -19.620 -9.367 3.427 1.00 42.12 H new ATOM 0 HB2 ASP A 8 -20.274 -9.399 5.811 1.00 13.00 H new ATOM 0 HB3 ASP A 8 -18.653 -8.922 6.278 1.00 13.00 H new ATOM 89 N MET A 9 -16.483 -9.204 4.255 1.00 33.43 N ATOM 90 CA MET A 9 -15.189 -8.616 3.984 1.00 1.21 C ATOM 91 C MET A 9 -14.453 -9.470 2.982 1.00 72.15 C ATOM 92 O MET A 9 -14.766 -10.657 2.809 1.00 62.22 O ATOM 93 CB MET A 9 -14.347 -8.560 5.270 1.00 24.31 C ATOM 94 CG MET A 9 -14.990 -7.820 6.431 1.00 53.32 C ATOM 95 SD MET A 9 -15.250 -6.059 6.131 1.00 40.53 S ATOM 96 CE MET A 9 -13.560 -5.482 6.012 1.00 14.33 C ATOM 0 H MET A 9 -16.447 -10.035 4.845 1.00 33.43 H new ATOM 0 HA MET A 9 -15.341 -7.608 3.597 1.00 1.21 H new ATOM 0 HB2 MET A 9 -14.127 -9.580 5.586 1.00 24.31 H new ATOM 0 HB3 MET A 9 -13.393 -8.085 5.041 1.00 24.31 H new ATOM 0 HG2 MET A 9 -15.950 -8.285 6.657 1.00 53.32 H new ATOM 0 HG3 MET A 9 -14.363 -7.938 7.315 1.00 53.32 H new ATOM 0 HE1 MET A 9 -13.554 -4.422 5.757 1.00 14.33 H new ATOM 0 HE2 MET A 9 -13.058 -5.628 6.968 1.00 14.33 H new ATOM 0 HE3 MET A 9 -13.037 -6.044 5.238 1.00 14.33 H new ATOM 106 N ILE A 10 -13.505 -8.887 2.324 1.00 74.13 N ATOM 107 CA ILE A 10 -12.639 -9.617 1.445 1.00 74.53 C ATOM 108 C ILE A 10 -11.195 -9.488 1.935 1.00 70.03 C ATOM 109 O ILE A 10 -10.792 -8.431 2.429 1.00 61.33 O ATOM 110 CB ILE A 10 -12.842 -9.250 -0.086 1.00 23.42 C ATOM 111 CG1 ILE A 10 -12.759 -7.758 -0.392 1.00 10.52 C ATOM 112 CG2 ILE A 10 -14.133 -9.789 -0.625 1.00 41.23 C ATOM 113 CD1 ILE A 10 -11.380 -7.187 -0.425 1.00 5.23 C ATOM 0 H ILE A 10 -13.305 -7.888 2.378 1.00 74.13 H new ATOM 0 HA ILE A 10 -12.910 -10.672 1.485 1.00 74.53 H new ATOM 0 HB ILE A 10 -12.001 -9.730 -0.587 1.00 23.42 H new ATOM 0 HG12 ILE A 10 -13.233 -7.575 -1.356 1.00 10.52 H new ATOM 0 HG13 ILE A 10 -13.340 -7.218 0.356 1.00 10.52 H new ATOM 0 HG21 ILE A 10 -14.231 -9.515 -1.675 1.00 41.23 H new ATOM 0 HG22 ILE A 10 -14.141 -10.875 -0.531 1.00 41.23 H new ATOM 0 HG23 ILE A 10 -14.966 -9.370 -0.061 1.00 41.23 H new ATOM 0 HD11 ILE A 10 -11.433 -6.122 -0.650 1.00 5.23 H new ATOM 0 HD12 ILE A 10 -10.904 -7.330 0.545 1.00 5.23 H new ATOM 0 HD13 ILE A 10 -10.795 -7.692 -1.194 1.00 5.23 H new ATOM 125 N ASN A 11 -10.444 -10.555 1.866 1.00 62.11 N ATOM 126 CA ASN A 11 -9.089 -10.541 2.384 1.00 72.41 C ATOM 127 C ASN A 11 -8.170 -10.135 1.264 1.00 14.21 C ATOM 128 O ASN A 11 -7.993 -10.867 0.297 1.00 73.24 O ATOM 129 CB ASN A 11 -8.722 -11.930 2.936 1.00 3.32 C ATOM 130 CG ASN A 11 -7.393 -12.028 3.721 1.00 51.00 C ATOM 131 OD1 ASN A 11 -6.451 -11.182 3.445 1.00 73.14 O flip ATOM 132 ND2 ASN A 11 -7.253 -12.873 4.601 1.00 60.14 N flip ATOM 0 H ASN A 11 -10.739 -11.443 1.460 1.00 62.11 H new ATOM 0 HA ASN A 11 -8.995 -9.831 3.205 1.00 72.41 H new ATOM 0 HB2 ASN A 11 -9.529 -12.263 3.588 1.00 3.32 H new ATOM 0 HB3 ASN A 11 -8.678 -12.629 2.101 1.00 3.32 H new ATOM 0 HD21 ASN A 11 -8.007 -13.530 4.802 1.00 60.14 H new ATOM 0 HD22 ASN A 11 -6.383 -12.918 5.131 1.00 60.14 H new ATOM 139 N LEU A 12 -7.587 -8.985 1.395 1.00 55.35 N ATOM 140 CA LEU A 12 -6.789 -8.436 0.345 1.00 14.03 C ATOM 141 C LEU A 12 -5.339 -8.259 0.748 1.00 44.52 C ATOM 142 O LEU A 12 -5.029 -7.751 1.828 1.00 44.22 O ATOM 143 CB LEU A 12 -7.401 -7.106 -0.103 1.00 63.22 C ATOM 144 CG LEU A 12 -6.585 -6.258 -1.069 1.00 43.41 C ATOM 145 CD1 LEU A 12 -6.246 -7.010 -2.333 1.00 44.22 C ATOM 146 CD2 LEU A 12 -7.309 -4.973 -1.375 1.00 75.42 C ATOM 0 H LEU A 12 -7.650 -8.402 2.230 1.00 55.35 H new ATOM 0 HA LEU A 12 -6.787 -9.141 -0.486 1.00 14.03 H new ATOM 0 HB2 LEU A 12 -8.364 -7.316 -0.568 1.00 63.22 H new ATOM 0 HB3 LEU A 12 -7.600 -6.508 0.787 1.00 63.22 H new ATOM 0 HG LEU A 12 -5.639 -6.017 -0.584 1.00 43.41 H new ATOM 0 HD11 LEU A 12 -5.664 -6.368 -2.993 1.00 44.22 H new ATOM 0 HD12 LEU A 12 -5.664 -7.897 -2.084 1.00 44.22 H new ATOM 0 HD13 LEU A 12 -7.166 -7.309 -2.836 1.00 44.22 H new ATOM 0 HD21 LEU A 12 -6.714 -4.376 -2.067 1.00 75.42 H new ATOM 0 HD22 LEU A 12 -8.275 -5.198 -1.828 1.00 75.42 H new ATOM 0 HD23 LEU A 12 -7.462 -4.413 -0.452 1.00 75.42 H new ATOM 158 N ARG A 13 -4.466 -8.696 -0.118 1.00 23.15 N ATOM 159 CA ARG A 13 -3.073 -8.502 0.061 1.00 61.15 C ATOM 160 C ARG A 13 -2.597 -7.448 -0.914 1.00 30.45 C ATOM 161 O ARG A 13 -2.731 -7.601 -2.132 1.00 63.14 O ATOM 162 CB ARG A 13 -2.350 -9.807 -0.180 1.00 31.22 C ATOM 163 CG ARG A 13 -0.878 -9.779 0.146 1.00 22.30 C ATOM 164 CD ARG A 13 -0.338 -11.170 0.072 1.00 23.24 C ATOM 165 NE ARG A 13 1.033 -11.275 0.555 1.00 42.01 N ATOM 166 CZ ARG A 13 1.363 -11.935 1.675 1.00 12.43 C ATOM 167 NH1 ARG A 13 0.404 -12.444 2.461 1.00 14.15 N ATOM 168 NH2 ARG A 13 2.636 -12.066 2.024 1.00 51.21 N ATOM 0 H ARG A 13 -4.714 -9.199 -0.970 1.00 23.15 H new ATOM 0 HA ARG A 13 -2.866 -8.170 1.078 1.00 61.15 H new ATOM 0 HB2 ARG A 13 -2.826 -10.586 0.416 1.00 31.22 H new ATOM 0 HB3 ARG A 13 -2.472 -10.087 -1.226 1.00 31.22 H new ATOM 0 HG2 ARG A 13 -0.349 -9.132 -0.554 1.00 22.30 H new ATOM 0 HG3 ARG A 13 -0.721 -9.366 1.143 1.00 22.30 H new ATOM 0 HD2 ARG A 13 -0.975 -11.833 0.657 1.00 23.24 H new ATOM 0 HD3 ARG A 13 -0.381 -11.516 -0.961 1.00 23.24 H new ATOM 0 HE ARG A 13 1.775 -10.827 0.017 1.00 42.01 H new ATOM 0 HH11 ARG A 13 -0.577 -12.330 2.207 1.00 14.15 H new ATOM 0 HH12 ARG A 13 0.656 -12.946 3.313 1.00 14.15 H new ATOM 0 HH21 ARG A 13 3.369 -11.664 1.440 1.00 51.21 H new ATOM 0 HH22 ARG A 13 2.882 -12.569 2.877 1.00 51.21 H new ATOM 182 N LEU A 14 -2.043 -6.414 -0.378 1.00 4.51 N ATOM 183 CA LEU A 14 -1.538 -5.299 -1.142 1.00 62.43 C ATOM 184 C LEU A 14 -0.035 -5.445 -1.289 1.00 52.33 C ATOM 185 O LEU A 14 0.695 -5.541 -0.289 1.00 34.40 O ATOM 186 CB LEU A 14 -1.894 -3.914 -0.457 1.00 34.13 C ATOM 187 CG LEU A 14 -3.386 -3.534 -0.325 1.00 64.41 C ATOM 188 CD1 LEU A 14 -4.075 -3.453 -1.672 1.00 72.33 C ATOM 189 CD2 LEU A 14 -4.142 -4.450 0.614 1.00 43.22 C ATOM 0 H LEU A 14 -1.920 -6.308 0.629 1.00 4.51 H new ATOM 0 HA LEU A 14 -2.011 -5.304 -2.124 1.00 62.43 H new ATOM 0 HB2 LEU A 14 -1.459 -3.914 0.543 1.00 34.13 H new ATOM 0 HB3 LEU A 14 -1.397 -3.125 -1.021 1.00 34.13 H new ATOM 0 HG LEU A 14 -3.400 -2.538 0.117 1.00 64.41 H new ATOM 0 HD11 LEU A 14 -5.121 -3.183 -1.530 1.00 72.33 H new ATOM 0 HD12 LEU A 14 -3.586 -2.697 -2.286 1.00 72.33 H new ATOM 0 HD13 LEU A 14 -4.014 -4.420 -2.170 1.00 72.33 H new ATOM 0 HD21 LEU A 14 -5.184 -4.136 0.668 1.00 43.22 H new ATOM 0 HD22 LEU A 14 -4.090 -5.474 0.244 1.00 43.22 H new ATOM 0 HD23 LEU A 14 -3.696 -4.401 1.608 1.00 43.22 H new ATOM 201 N ILE A 15 0.441 -5.513 -2.508 1.00 74.42 N ATOM 202 CA ILE A 15 1.860 -5.601 -2.718 1.00 11.52 C ATOM 203 C ILE A 15 2.345 -4.213 -3.066 1.00 21.44 C ATOM 204 O ILE A 15 1.941 -3.651 -4.095 1.00 32.11 O ATOM 205 CB ILE A 15 2.244 -6.539 -3.888 1.00 51.52 C ATOM 206 CG1 ILE A 15 1.526 -7.894 -3.817 1.00 40.12 C ATOM 207 CG2 ILE A 15 3.748 -6.746 -3.890 1.00 55.44 C ATOM 208 CD1 ILE A 15 1.868 -8.725 -2.652 1.00 24.33 C ATOM 0 H ILE A 15 -0.125 -5.509 -3.356 1.00 74.42 H new ATOM 0 HA ILE A 15 2.311 -6.004 -1.812 1.00 11.52 H new ATOM 0 HB ILE A 15 1.926 -6.061 -4.815 1.00 51.52 H new ATOM 0 HG12 ILE A 15 0.450 -7.717 -3.814 1.00 40.12 H new ATOM 0 HG13 ILE A 15 1.754 -8.456 -4.723 1.00 40.12 H new ATOM 0 HG21 ILE A 15 4.023 -7.406 -4.712 1.00 55.44 H new ATOM 0 HG22 ILE A 15 4.247 -5.785 -4.013 1.00 55.44 H new ATOM 0 HG23 ILE A 15 4.055 -7.196 -2.946 1.00 55.44 H new ATOM 0 HD11 ILE A 15 1.309 -9.660 -2.695 1.00 24.33 H new ATOM 0 HD12 ILE A 15 2.936 -8.941 -2.660 1.00 24.33 H new ATOM 0 HD13 ILE A 15 1.613 -8.191 -1.737 1.00 24.33 H new ATOM 220 N LEU A 16 3.184 -3.663 -2.232 1.00 63.12 N ATOM 221 CA LEU A 16 3.694 -2.320 -2.448 1.00 73.33 C ATOM 222 C LEU A 16 4.771 -2.292 -3.534 1.00 54.21 C ATOM 223 O LEU A 16 5.291 -3.338 -3.931 1.00 42.32 O ATOM 224 CB LEU A 16 4.200 -1.664 -1.137 1.00 63.54 C ATOM 225 CG LEU A 16 3.145 -1.289 -0.062 1.00 33.32 C ATOM 226 CD1 LEU A 16 2.076 -0.373 -0.640 1.00 34.35 C ATOM 227 CD2 LEU A 16 2.519 -2.514 0.598 1.00 21.23 C ATOM 0 H LEU A 16 3.536 -4.119 -1.390 1.00 63.12 H new ATOM 0 HA LEU A 16 2.853 -1.722 -2.800 1.00 73.33 H new ATOM 0 HB2 LEU A 16 4.919 -2.343 -0.678 1.00 63.54 H new ATOM 0 HB3 LEU A 16 4.743 -0.757 -1.404 1.00 63.54 H new ATOM 0 HG LEU A 16 3.675 -0.747 0.721 1.00 33.32 H new ATOM 0 HD11 LEU A 16 1.350 -0.126 0.135 1.00 34.35 H new ATOM 0 HD12 LEU A 16 2.541 0.542 -1.007 1.00 34.35 H new ATOM 0 HD13 LEU A 16 1.570 -0.878 -1.463 1.00 34.35 H new ATOM 0 HD21 LEU A 16 1.789 -2.194 1.341 1.00 21.23 H new ATOM 0 HD22 LEU A 16 2.024 -3.122 -0.159 1.00 21.23 H new ATOM 0 HD23 LEU A 16 3.297 -3.103 1.084 1.00 21.23 H new ATOM 239 N VAL A 17 5.118 -1.093 -3.990 1.00 3.41 N ATOM 240 CA VAL A 17 6.085 -0.899 -5.091 1.00 44.44 C ATOM 241 C VAL A 17 7.480 -1.322 -4.648 1.00 21.25 C ATOM 242 O VAL A 17 8.300 -1.780 -5.442 1.00 50.31 O ATOM 243 CB VAL A 17 6.122 0.593 -5.540 1.00 63.41 C ATOM 244 CG1 VAL A 17 7.024 0.800 -6.752 1.00 13.34 C ATOM 245 CG2 VAL A 17 4.726 1.099 -5.819 1.00 51.25 C ATOM 0 H VAL A 17 4.743 -0.222 -3.614 1.00 3.41 H new ATOM 0 HA VAL A 17 5.765 -1.515 -5.931 1.00 44.44 H new ATOM 0 HB VAL A 17 6.545 1.171 -4.719 1.00 63.41 H new ATOM 0 HG11 VAL A 17 7.021 1.853 -7.032 1.00 13.34 H new ATOM 0 HG12 VAL A 17 8.040 0.493 -6.506 1.00 13.34 H new ATOM 0 HG13 VAL A 17 6.656 0.202 -7.586 1.00 13.34 H new ATOM 0 HG21 VAL A 17 4.773 2.142 -6.131 1.00 51.25 H new ATOM 0 HG22 VAL A 17 4.275 0.503 -6.612 1.00 51.25 H new ATOM 0 HG23 VAL A 17 4.122 1.017 -4.915 1.00 51.25 H new ATOM 255 N SER A 18 7.718 -1.200 -3.363 1.00 41.42 N ATOM 256 CA SER A 18 8.986 -1.538 -2.766 1.00 45.53 C ATOM 257 C SER A 18 9.152 -3.066 -2.620 1.00 33.31 C ATOM 258 O SER A 18 10.130 -3.538 -2.050 1.00 10.42 O ATOM 259 CB SER A 18 9.061 -0.859 -1.408 1.00 32.12 C ATOM 260 OG SER A 18 8.810 0.541 -1.541 1.00 30.22 O ATOM 0 H SER A 18 7.027 -0.859 -2.695 1.00 41.42 H new ATOM 0 HA SER A 18 9.796 -1.192 -3.409 1.00 45.53 H new ATOM 0 HB2 SER A 18 8.332 -1.304 -0.730 1.00 32.12 H new ATOM 0 HB3 SER A 18 10.045 -1.019 -0.967 1.00 32.12 H new ATOM 0 HG SER A 18 8.859 0.967 -0.660 1.00 30.22 H new ATOM 266 N GLY A 19 8.181 -3.827 -3.132 1.00 42.11 N ATOM 267 CA GLY A 19 8.240 -5.275 -3.057 1.00 72.40 C ATOM 268 C GLY A 19 7.843 -5.777 -1.697 1.00 71.43 C ATOM 269 O GLY A 19 8.010 -6.948 -1.376 1.00 63.10 O ATOM 0 H GLY A 19 7.352 -3.460 -3.599 1.00 42.11 H new ATOM 0 HA2 GLY A 19 7.581 -5.706 -3.811 1.00 72.40 H new ATOM 0 HA3 GLY A 19 9.251 -5.611 -3.288 1.00 72.40 H new ATOM 273 N LYS A 20 7.321 -4.884 -0.900 1.00 31.20 N ATOM 274 CA LYS A 20 6.909 -5.211 0.423 1.00 23.32 C ATOM 275 C LYS A 20 5.464 -5.611 0.392 1.00 54.42 C ATOM 276 O LYS A 20 4.642 -4.931 -0.218 1.00 53.20 O ATOM 277 CB LYS A 20 7.148 -4.035 1.357 1.00 25.30 C ATOM 278 CG LYS A 20 8.603 -3.598 1.350 1.00 72.41 C ATOM 279 CD LYS A 20 8.919 -2.586 2.421 1.00 40.04 C ATOM 280 CE LYS A 20 8.104 -1.302 2.299 1.00 34.13 C ATOM 281 NZ LYS A 20 8.465 -0.333 3.353 1.00 3.25 N ATOM 0 H LYS A 20 7.172 -3.908 -1.158 1.00 31.20 H new ATOM 0 HA LYS A 20 7.496 -6.047 0.804 1.00 23.32 H new ATOM 0 HB2 LYS A 20 6.516 -3.199 1.058 1.00 25.30 H new ATOM 0 HB3 LYS A 20 6.856 -4.310 2.370 1.00 25.30 H new ATOM 0 HG2 LYS A 20 9.240 -4.472 1.485 1.00 72.41 H new ATOM 0 HG3 LYS A 20 8.845 -3.175 0.375 1.00 72.41 H new ATOM 0 HD2 LYS A 20 8.736 -3.033 3.398 1.00 40.04 H new ATOM 0 HD3 LYS A 20 9.980 -2.340 2.377 1.00 40.04 H new ATOM 0 HE2 LYS A 20 8.271 -0.855 1.319 1.00 34.13 H new ATOM 0 HE3 LYS A 20 7.041 -1.536 2.366 1.00 34.13 H new ATOM 0 HZ1 LYS A 20 7.894 0.529 3.243 1.00 3.25 H new ATOM 0 HZ2 LYS A 20 8.282 -0.752 4.287 1.00 3.25 H new ATOM 0 HZ3 LYS A 20 9.474 -0.092 3.273 1.00 3.25 H new ATOM 295 N THR A 21 5.153 -6.702 1.010 1.00 55.42 N ATOM 296 CA THR A 21 3.823 -7.226 0.957 1.00 0.21 C ATOM 297 C THR A 21 3.108 -6.972 2.262 1.00 63.52 C ATOM 298 O THR A 21 3.682 -7.189 3.338 1.00 3.04 O ATOM 299 CB THR A 21 3.860 -8.740 0.688 1.00 74.53 C ATOM 300 OG1 THR A 21 4.532 -9.413 1.776 1.00 41.44 O ATOM 301 CG2 THR A 21 4.613 -9.031 -0.599 1.00 33.55 C ATOM 0 H THR A 21 5.807 -7.255 1.564 1.00 55.42 H new ATOM 0 HA THR A 21 3.289 -6.726 0.149 1.00 0.21 H new ATOM 0 HB THR A 21 2.834 -9.098 0.600 1.00 74.53 H new ATOM 0 HG1 THR A 21 4.836 -10.295 1.477 1.00 41.44 H new ATOM 0 HG21 THR A 21 4.630 -10.107 -0.775 1.00 33.55 H new ATOM 0 HG22 THR A 21 4.115 -8.535 -1.432 1.00 33.55 H new ATOM 0 HG23 THR A 21 5.635 -8.661 -0.514 1.00 33.55 H new ATOM 309 N LYS A 22 1.886 -6.526 2.194 1.00 74.15 N ATOM 310 CA LYS A 22 1.131 -6.275 3.406 1.00 54.04 C ATOM 311 C LYS A 22 -0.321 -6.683 3.159 1.00 65.12 C ATOM 312 O LYS A 22 -0.850 -6.446 2.080 1.00 54.13 O ATOM 313 CB LYS A 22 1.289 -4.800 3.772 1.00 31.42 C ATOM 314 CG LYS A 22 0.900 -4.426 5.183 1.00 63.33 C ATOM 315 CD LYS A 22 1.334 -3.000 5.455 1.00 34.42 C ATOM 316 CE LYS A 22 1.114 -2.593 6.892 1.00 20.43 C ATOM 317 NZ LYS A 22 1.564 -1.207 7.141 1.00 43.24 N ATOM 0 H LYS A 22 1.388 -6.328 1.326 1.00 74.15 H new ATOM 0 HA LYS A 22 1.494 -6.860 4.251 1.00 54.04 H new ATOM 0 HB2 LYS A 22 2.330 -4.516 3.615 1.00 31.42 H new ATOM 0 HB3 LYS A 22 0.689 -4.208 3.081 1.00 31.42 H new ATOM 0 HG2 LYS A 22 -0.178 -4.523 5.314 1.00 63.33 H new ATOM 0 HG3 LYS A 22 1.370 -5.104 5.895 1.00 63.33 H new ATOM 0 HD2 LYS A 22 2.390 -2.892 5.208 1.00 34.42 H new ATOM 0 HD3 LYS A 22 0.782 -2.325 4.801 1.00 34.42 H new ATOM 0 HE2 LYS A 22 0.056 -2.682 7.138 1.00 20.43 H new ATOM 0 HE3 LYS A 22 1.653 -3.275 7.550 1.00 20.43 H new ATOM 0 HZ1 LYS A 22 1.034 -0.808 7.942 1.00 43.24 H new ATOM 0 HZ2 LYS A 22 2.580 -1.207 7.364 1.00 43.24 H new ATOM 0 HZ3 LYS A 22 1.396 -0.630 6.293 1.00 43.24 H new ATOM 331 N GLU A 23 -0.960 -7.306 4.129 1.00 14.02 N ATOM 332 CA GLU A 23 -2.272 -7.888 3.881 1.00 50.20 C ATOM 333 C GLU A 23 -3.262 -7.550 5.008 1.00 10.12 C ATOM 334 O GLU A 23 -2.940 -7.692 6.187 1.00 62.35 O ATOM 335 CB GLU A 23 -2.087 -9.395 3.781 1.00 61.24 C ATOM 336 CG GLU A 23 -3.270 -10.172 3.276 1.00 61.12 C ATOM 337 CD GLU A 23 -3.014 -11.651 3.347 1.00 63.21 C ATOM 338 OE1 GLU A 23 -2.407 -12.213 2.409 1.00 44.22 O ATOM 339 OE2 GLU A 23 -3.395 -12.267 4.352 1.00 11.11 O ATOM 0 H GLU A 23 -0.605 -7.423 5.078 1.00 14.02 H new ATOM 0 HA GLU A 23 -2.688 -7.480 2.960 1.00 50.20 H new ATOM 0 HB2 GLU A 23 -1.240 -9.594 3.125 1.00 61.24 H new ATOM 0 HB3 GLU A 23 -1.822 -9.775 4.768 1.00 61.24 H new ATOM 0 HG2 GLU A 23 -4.152 -9.923 3.867 1.00 61.12 H new ATOM 0 HG3 GLU A 23 -3.485 -9.886 2.246 1.00 61.12 H new ATOM 346 N PHE A 24 -4.457 -7.111 4.634 1.00 44.42 N ATOM 347 CA PHE A 24 -5.518 -6.752 5.589 1.00 1.12 C ATOM 348 C PHE A 24 -6.884 -7.111 5.039 1.00 73.42 C ATOM 349 O PHE A 24 -7.045 -7.334 3.833 1.00 64.33 O ATOM 350 CB PHE A 24 -5.534 -5.258 5.949 1.00 71.10 C ATOM 351 CG PHE A 24 -4.335 -4.743 6.669 1.00 31.41 C ATOM 352 CD1 PHE A 24 -4.154 -5.004 8.019 1.00 22.35 C ATOM 353 CD2 PHE A 24 -3.403 -3.971 6.009 1.00 13.24 C ATOM 354 CE1 PHE A 24 -3.061 -4.507 8.691 1.00 2.51 C ATOM 355 CE2 PHE A 24 -2.311 -3.474 6.669 1.00 73.13 C ATOM 356 CZ PHE A 24 -2.137 -3.741 8.016 1.00 3.11 C ATOM 0 H PHE A 24 -4.727 -6.991 3.658 1.00 44.42 H new ATOM 0 HA PHE A 24 -5.297 -7.322 6.491 1.00 1.12 H new ATOM 0 HB2 PHE A 24 -5.654 -4.685 5.030 1.00 71.10 H new ATOM 0 HB3 PHE A 24 -6.413 -5.063 6.563 1.00 71.10 H new ATOM 0 HD1 PHE A 24 -4.879 -5.604 8.549 1.00 22.35 H new ATOM 0 HD2 PHE A 24 -3.536 -3.756 4.959 1.00 13.24 H new ATOM 0 HE1 PHE A 24 -2.929 -4.717 9.742 1.00 2.51 H new ATOM 0 HE2 PHE A 24 -1.586 -2.874 6.139 1.00 73.13 H new ATOM 0 HZ PHE A 24 -1.277 -3.349 8.538 1.00 3.11 H new ATOM 366 N LEU A 25 -7.853 -7.208 5.914 1.00 13.14 N ATOM 367 CA LEU A 25 -9.218 -7.390 5.488 1.00 12.52 C ATOM 368 C LEU A 25 -9.764 -6.047 5.056 1.00 4.41 C ATOM 369 O LEU A 25 -9.698 -5.075 5.809 1.00 34.24 O ATOM 370 CB LEU A 25 -10.101 -7.908 6.628 1.00 43.51 C ATOM 371 CG LEU A 25 -9.721 -9.231 7.267 1.00 45.33 C ATOM 372 CD1 LEU A 25 -10.743 -9.599 8.324 1.00 40.42 C ATOM 373 CD2 LEU A 25 -9.618 -10.319 6.228 1.00 11.40 C ATOM 0 H LEU A 25 -7.723 -7.164 6.925 1.00 13.14 H new ATOM 0 HA LEU A 25 -9.228 -8.118 4.676 1.00 12.52 H new ATOM 0 HB2 LEU A 25 -10.118 -7.150 7.411 1.00 43.51 H new ATOM 0 HB3 LEU A 25 -11.119 -7.998 6.250 1.00 43.51 H new ATOM 0 HG LEU A 25 -8.744 -9.125 7.738 1.00 45.33 H new ATOM 0 HD11 LEU A 25 -10.468 -10.549 8.781 1.00 40.42 H new ATOM 0 HD12 LEU A 25 -10.771 -8.823 9.089 1.00 40.42 H new ATOM 0 HD13 LEU A 25 -11.727 -9.690 7.863 1.00 40.42 H new ATOM 0 HD21 LEU A 25 -9.345 -11.258 6.710 1.00 11.40 H new ATOM 0 HD22 LEU A 25 -10.579 -10.435 5.726 1.00 11.40 H new ATOM 0 HD23 LEU A 25 -8.856 -10.052 5.496 1.00 11.40 H new ATOM 385 N PHE A 26 -10.288 -5.984 3.873 1.00 72.35 N ATOM 386 CA PHE A 26 -10.873 -4.770 3.371 1.00 73.21 C ATOM 387 C PHE A 26 -12.265 -5.025 2.880 1.00 71.20 C ATOM 388 O PHE A 26 -12.663 -6.179 2.650 1.00 50.31 O ATOM 389 CB PHE A 26 -10.019 -4.106 2.274 1.00 3.34 C ATOM 390 CG PHE A 26 -8.746 -3.461 2.771 1.00 2.10 C ATOM 391 CD1 PHE A 26 -8.772 -2.169 3.275 1.00 64.42 C ATOM 392 CD2 PHE A 26 -7.536 -4.129 2.729 1.00 2.01 C ATOM 393 CE1 PHE A 26 -7.619 -1.559 3.724 1.00 11.04 C ATOM 394 CE2 PHE A 26 -6.384 -3.525 3.178 1.00 4.43 C ATOM 395 CZ PHE A 26 -6.421 -2.239 3.676 1.00 71.40 C ATOM 0 H PHE A 26 -10.325 -6.770 3.224 1.00 72.35 H new ATOM 0 HA PHE A 26 -10.911 -4.067 4.203 1.00 73.21 H new ATOM 0 HB2 PHE A 26 -9.762 -4.857 1.527 1.00 3.34 H new ATOM 0 HB3 PHE A 26 -10.622 -3.350 1.771 1.00 3.34 H new ATOM 0 HD1 PHE A 26 -9.709 -1.633 3.317 1.00 64.42 H new ATOM 0 HD2 PHE A 26 -7.495 -5.136 2.340 1.00 2.01 H new ATOM 0 HE1 PHE A 26 -7.655 -0.552 4.112 1.00 11.04 H new ATOM 0 HE2 PHE A 26 -5.447 -4.060 3.140 1.00 4.43 H new ATOM 0 HZ PHE A 26 -5.515 -1.767 4.027 1.00 71.40 H new ATOM 405 N SER A 27 -13.016 -3.987 2.754 1.00 32.05 N ATOM 406 CA SER A 27 -14.337 -4.094 2.269 1.00 71.44 C ATOM 407 C SER A 27 -14.281 -4.078 0.747 1.00 73.32 C ATOM 408 O SER A 27 -13.527 -3.301 0.159 1.00 63.13 O ATOM 409 CB SER A 27 -15.177 -2.938 2.797 1.00 3.32 C ATOM 410 OG SER A 27 -15.140 -2.892 4.220 1.00 0.33 O ATOM 0 H SER A 27 -12.725 -3.038 2.987 1.00 32.05 H new ATOM 0 HA SER A 27 -14.799 -5.021 2.608 1.00 71.44 H new ATOM 0 HB2 SER A 27 -14.806 -1.998 2.389 1.00 3.32 H new ATOM 0 HB3 SER A 27 -16.208 -3.048 2.459 1.00 3.32 H new ATOM 0 HG SER A 27 -15.685 -2.142 4.537 1.00 0.33 H new ATOM 416 N PRO A 28 -15.049 -4.942 0.089 1.00 34.35 N ATOM 417 CA PRO A 28 -15.059 -5.052 -1.376 1.00 41.34 C ATOM 418 C PRO A 28 -15.475 -3.753 -2.097 1.00 13.34 C ATOM 419 O PRO A 28 -15.257 -3.612 -3.307 1.00 14.21 O ATOM 420 CB PRO A 28 -16.054 -6.188 -1.640 1.00 70.43 C ATOM 421 CG PRO A 28 -16.880 -6.245 -0.408 1.00 53.45 C ATOM 422 CD PRO A 28 -15.948 -5.924 0.705 1.00 44.33 C ATOM 0 HA PRO A 28 -14.060 -5.245 -1.768 1.00 41.34 H new ATOM 0 HB2 PRO A 28 -16.665 -5.985 -2.520 1.00 70.43 H new ATOM 0 HB3 PRO A 28 -15.541 -7.133 -1.819 1.00 70.43 H new ATOM 0 HG2 PRO A 28 -17.701 -5.530 -0.452 1.00 53.45 H new ATOM 0 HG3 PRO A 28 -17.324 -7.232 -0.277 1.00 53.45 H new ATOM 0 HD2 PRO A 28 -16.472 -5.511 1.567 1.00 44.33 H new ATOM 0 HD3 PRO A 28 -15.410 -6.806 1.052 1.00 44.33 H new ATOM 430 N ASN A 29 -16.051 -2.814 -1.348 1.00 74.13 N ATOM 431 CA ASN A 29 -16.469 -1.517 -1.896 1.00 52.53 C ATOM 432 C ASN A 29 -15.335 -0.508 -1.898 1.00 65.04 C ATOM 433 O ASN A 29 -15.472 0.586 -2.455 1.00 4.23 O ATOM 434 CB ASN A 29 -17.678 -0.927 -1.146 1.00 21.04 C ATOM 435 CG ASN A 29 -18.978 -1.671 -1.387 1.00 33.24 C ATOM 436 OD1 ASN A 29 -18.998 -2.883 -1.619 1.00 54.15 O ATOM 437 ND2 ASN A 29 -20.072 -0.952 -1.342 1.00 61.34 N ATOM 0 H ASN A 29 -16.242 -2.925 -0.352 1.00 74.13 H new ATOM 0 HA ASN A 29 -16.765 -1.715 -2.926 1.00 52.53 H new ATOM 0 HB2 ASN A 29 -17.464 -0.927 -0.077 1.00 21.04 H new ATOM 0 HB3 ASN A 29 -17.806 0.113 -1.446 1.00 21.04 H new ATOM 0 HD21 ASN A 29 -20.978 -1.392 -1.501 1.00 61.34 H new ATOM 0 HD22 ASN A 29 -20.018 0.048 -1.147 1.00 61.34 H new ATOM 444 N ASP A 30 -14.226 -0.858 -1.278 1.00 50.12 N ATOM 445 CA ASP A 30 -13.065 0.030 -1.241 1.00 22.03 C ATOM 446 C ASP A 30 -12.288 -0.033 -2.543 1.00 33.42 C ATOM 447 O ASP A 30 -12.345 -1.032 -3.263 1.00 44.42 O ATOM 448 CB ASP A 30 -12.146 -0.254 -0.028 1.00 65.43 C ATOM 449 CG ASP A 30 -12.738 0.191 1.298 1.00 23.51 C ATOM 450 OD1 ASP A 30 -12.625 1.404 1.636 1.00 1.44 O ATOM 451 OD2 ASP A 30 -13.292 -0.639 2.036 1.00 44.21 O ATOM 0 H ASP A 30 -14.097 -1.746 -0.793 1.00 50.12 H new ATOM 0 HA ASP A 30 -13.445 1.044 -1.119 1.00 22.03 H new ATOM 0 HB2 ASP A 30 -11.937 -1.323 0.017 1.00 65.43 H new ATOM 0 HB3 ASP A 30 -11.192 0.251 -0.179 1.00 65.43 H new ATOM 456 N SER A 31 -11.591 1.030 -2.860 1.00 44.43 N ATOM 457 CA SER A 31 -10.804 1.087 -4.069 1.00 42.04 C ATOM 458 C SER A 31 -9.353 0.699 -3.782 1.00 55.31 C ATOM 459 O SER A 31 -8.702 1.302 -2.942 1.00 21.23 O ATOM 460 CB SER A 31 -10.885 2.482 -4.699 1.00 45.31 C ATOM 461 OG SER A 31 -12.220 2.786 -5.099 1.00 40.45 O ATOM 0 H SER A 31 -11.552 1.876 -2.292 1.00 44.43 H new ATOM 0 HA SER A 31 -11.212 0.371 -4.782 1.00 42.04 H new ATOM 0 HB2 SER A 31 -10.537 3.228 -3.985 1.00 45.31 H new ATOM 0 HB3 SER A 31 -10.222 2.534 -5.563 1.00 45.31 H new ATOM 0 HG SER A 31 -12.320 2.617 -6.059 1.00 40.45 H new ATOM 467 N ALA A 32 -8.870 -0.298 -4.508 1.00 22.04 N ATOM 468 CA ALA A 32 -7.514 -0.869 -4.353 1.00 74.12 C ATOM 469 C ALA A 32 -6.396 0.187 -4.323 1.00 13.53 C ATOM 470 O ALA A 32 -5.466 0.084 -3.531 1.00 64.02 O ATOM 471 CB ALA A 32 -7.268 -1.813 -5.492 1.00 24.44 C ATOM 0 H ALA A 32 -9.412 -0.753 -5.242 1.00 22.04 H new ATOM 0 HA ALA A 32 -7.485 -1.375 -3.388 1.00 74.12 H new ATOM 0 HB1 ALA A 32 -6.272 -2.246 -5.397 1.00 24.44 H new ATOM 0 HB2 ALA A 32 -8.013 -2.609 -5.473 1.00 24.44 H new ATOM 0 HB3 ALA A 32 -7.340 -1.272 -6.435 1.00 24.44 H new ATOM 477 N SER A 33 -6.491 1.188 -5.174 1.00 3.21 N ATOM 478 CA SER A 33 -5.474 2.219 -5.258 1.00 72.41 C ATOM 479 C SER A 33 -5.498 3.153 -4.027 1.00 75.03 C ATOM 480 O SER A 33 -4.459 3.638 -3.578 1.00 32.10 O ATOM 481 CB SER A 33 -5.635 2.967 -6.566 1.00 23.12 C ATOM 482 OG SER A 33 -6.994 3.339 -6.750 1.00 51.41 O ATOM 0 H SER A 33 -7.268 1.311 -5.823 1.00 3.21 H new ATOM 0 HA SER A 33 -4.488 1.755 -5.248 1.00 72.41 H new ATOM 0 HB2 SER A 33 -5.003 3.855 -6.566 1.00 23.12 H new ATOM 0 HB3 SER A 33 -5.305 2.341 -7.395 1.00 23.12 H new ATOM 0 HG SER A 33 -7.098 3.777 -7.621 1.00 51.41 H new ATOM 488 N ASP A 34 -6.691 3.369 -3.481 1.00 31.31 N ATOM 489 CA ASP A 34 -6.859 4.137 -2.236 1.00 2.32 C ATOM 490 C ASP A 34 -6.252 3.338 -1.106 1.00 53.04 C ATOM 491 O ASP A 34 -5.528 3.864 -0.243 1.00 72.21 O ATOM 492 CB ASP A 34 -8.354 4.374 -1.962 1.00 54.21 C ATOM 493 CG ASP A 34 -8.636 5.016 -0.608 1.00 75.03 C ATOM 494 OD1 ASP A 34 -8.577 6.259 -0.499 1.00 45.10 O ATOM 495 OD2 ASP A 34 -8.961 4.272 0.356 1.00 62.50 O ATOM 0 H ASP A 34 -7.565 3.024 -3.878 1.00 31.31 H new ATOM 0 HA ASP A 34 -6.366 5.105 -2.323 1.00 2.32 H new ATOM 0 HB2 ASP A 34 -8.762 5.010 -2.748 1.00 54.21 H new ATOM 0 HB3 ASP A 34 -8.880 3.421 -2.019 1.00 54.21 H new ATOM 500 N ILE A 35 -6.526 2.047 -1.153 1.00 24.32 N ATOM 501 CA ILE A 35 -6.019 1.099 -0.199 1.00 21.15 C ATOM 502 C ILE A 35 -4.488 1.064 -0.224 1.00 1.02 C ATOM 503 O ILE A 35 -3.864 1.023 0.815 1.00 11.14 O ATOM 504 CB ILE A 35 -6.578 -0.312 -0.465 1.00 3.22 C ATOM 505 CG1 ILE A 35 -8.100 -0.323 -0.343 1.00 23.34 C ATOM 506 CG2 ILE A 35 -5.977 -1.304 0.488 1.00 71.30 C ATOM 507 CD1 ILE A 35 -8.712 -1.674 -0.619 1.00 43.35 C ATOM 0 H ILE A 35 -7.118 1.629 -1.871 1.00 24.32 H new ATOM 0 HA ILE A 35 -6.348 1.422 0.789 1.00 21.15 H new ATOM 0 HB ILE A 35 -6.310 -0.596 -1.483 1.00 3.22 H new ATOM 0 HG12 ILE A 35 -8.379 -0.004 0.661 1.00 23.34 H new ATOM 0 HG13 ILE A 35 -8.518 0.406 -1.037 1.00 23.34 H new ATOM 0 HG21 ILE A 35 -6.383 -2.295 0.286 1.00 71.30 H new ATOM 0 HG22 ILE A 35 -4.895 -1.322 0.360 1.00 71.30 H new ATOM 0 HG23 ILE A 35 -6.216 -1.016 1.512 1.00 71.30 H new ATOM 0 HD11 ILE A 35 -9.795 -1.611 -0.515 1.00 43.35 H new ATOM 0 HD12 ILE A 35 -8.462 -1.986 -1.633 1.00 43.35 H new ATOM 0 HD13 ILE A 35 -8.321 -2.402 0.091 1.00 43.35 H new ATOM 519 N ALA A 36 -3.909 1.072 -1.416 1.00 60.54 N ATOM 520 CA ALA A 36 -2.455 1.113 -1.610 1.00 5.43 C ATOM 521 C ALA A 36 -1.798 2.242 -0.809 1.00 15.52 C ATOM 522 O ALA A 36 -0.751 2.050 -0.190 1.00 4.55 O ATOM 523 CB ALA A 36 -2.133 1.293 -3.084 1.00 51.11 C ATOM 0 H ALA A 36 -4.436 1.050 -2.289 1.00 60.54 H new ATOM 0 HA ALA A 36 -2.054 0.166 -1.249 1.00 5.43 H new ATOM 0 HB1 ALA A 36 -1.052 1.322 -3.219 1.00 51.11 H new ATOM 0 HB2 ALA A 36 -2.547 0.459 -3.651 1.00 51.11 H new ATOM 0 HB3 ALA A 36 -2.569 2.226 -3.440 1.00 51.11 H new ATOM 529 N LYS A 37 -2.430 3.406 -0.800 1.00 71.44 N ATOM 530 CA LYS A 37 -1.887 4.563 -0.120 1.00 71.44 C ATOM 531 C LYS A 37 -2.041 4.313 1.401 1.00 32.42 C ATOM 532 O LYS A 37 -1.198 4.680 2.190 1.00 64.42 O ATOM 533 CB LYS A 37 -2.692 5.803 -0.591 1.00 14.04 C ATOM 534 CG LYS A 37 -1.963 7.184 -0.738 1.00 14.45 C ATOM 535 CD LYS A 37 -1.420 7.827 0.549 1.00 32.14 C ATOM 536 CE LYS A 37 -0.092 7.264 1.006 1.00 44.21 C ATOM 537 NZ LYS A 37 0.400 7.979 2.203 1.00 33.22 N ATOM 0 H LYS A 37 -3.325 3.571 -1.260 1.00 71.44 H new ATOM 0 HA LYS A 37 -0.834 4.734 -0.341 1.00 71.44 H new ATOM 0 HB2 LYS A 37 -3.130 5.560 -1.559 1.00 14.04 H new ATOM 0 HB3 LYS A 37 -3.517 5.942 0.107 1.00 14.04 H new ATOM 0 HG2 LYS A 37 -1.131 7.056 -1.430 1.00 14.45 H new ATOM 0 HG3 LYS A 37 -2.657 7.886 -1.201 1.00 14.45 H new ATOM 0 HD2 LYS A 37 -1.312 8.900 0.389 1.00 32.14 H new ATOM 0 HD3 LYS A 37 -2.152 7.695 1.346 1.00 32.14 H new ATOM 0 HE2 LYS A 37 -0.200 6.203 1.230 1.00 44.21 H new ATOM 0 HE3 LYS A 37 0.639 7.347 0.202 1.00 44.21 H new ATOM 0 HZ1 LYS A 37 1.312 7.575 2.498 1.00 33.22 H new ATOM 0 HZ2 LYS A 37 0.524 8.987 1.979 1.00 33.22 H new ATOM 0 HZ3 LYS A 37 -0.289 7.878 2.975 1.00 33.22 H new ATOM 551 N HIS A 38 -3.121 3.627 1.756 1.00 14.10 N ATOM 552 CA HIS A 38 -3.468 3.283 3.146 1.00 64.42 C ATOM 553 C HIS A 38 -2.505 2.225 3.733 1.00 12.22 C ATOM 554 O HIS A 38 -1.971 2.405 4.820 1.00 74.53 O ATOM 555 CB HIS A 38 -4.932 2.768 3.175 1.00 14.44 C ATOM 556 CG HIS A 38 -5.491 2.334 4.517 1.00 55.33 C ATOM 557 ND1 HIS A 38 -6.495 3.017 5.170 1.00 53.15 N ATOM 558 CD2 HIS A 38 -5.238 1.239 5.279 1.00 41.33 C ATOM 559 CE1 HIS A 38 -6.827 2.362 6.267 1.00 4.13 C ATOM 560 NE2 HIS A 38 -6.080 1.282 6.354 1.00 61.14 N ATOM 0 H HIS A 38 -3.800 3.283 1.077 1.00 14.10 H new ATOM 0 HA HIS A 38 -3.371 4.174 3.767 1.00 64.42 H new ATOM 0 HB2 HIS A 38 -5.574 3.556 2.781 1.00 14.44 H new ATOM 0 HB3 HIS A 38 -5.006 1.924 2.490 1.00 14.44 H new ATOM 0 HD2 HIS A 38 -4.505 0.473 5.073 1.00 41.33 H new ATOM 0 HE1 HIS A 38 -7.585 2.662 6.975 1.00 4.13 H new ATOM 0 HE2 HIS A 38 -6.123 0.590 7.102 1.00 61.14 H new ATOM 569 N VAL A 39 -2.313 1.130 3.007 1.00 14.22 N ATOM 570 CA VAL A 39 -1.474 0.010 3.446 1.00 44.13 C ATOM 571 C VAL A 39 -0.005 0.352 3.510 1.00 10.10 C ATOM 572 O VAL A 39 0.716 -0.187 4.349 1.00 43.23 O ATOM 573 CB VAL A 39 -1.685 -1.245 2.594 1.00 2.32 C ATOM 574 CG1 VAL A 39 -3.097 -1.748 2.792 1.00 20.21 C ATOM 575 CG2 VAL A 39 -1.439 -0.943 1.145 1.00 31.43 C ATOM 0 H VAL A 39 -2.736 0.989 2.090 1.00 14.22 H new ATOM 0 HA VAL A 39 -1.803 -0.203 4.463 1.00 44.13 H new ATOM 0 HB VAL A 39 -0.978 -2.014 2.905 1.00 2.32 H new ATOM 0 HG11 VAL A 39 -3.253 -2.642 2.188 1.00 20.21 H new ATOM 0 HG12 VAL A 39 -3.253 -1.989 3.843 1.00 20.21 H new ATOM 0 HG13 VAL A 39 -3.804 -0.976 2.488 1.00 20.21 H new ATOM 0 HG21 VAL A 39 -1.593 -1.846 0.554 1.00 31.43 H new ATOM 0 HG22 VAL A 39 -2.130 -0.169 0.812 1.00 31.43 H new ATOM 0 HG23 VAL A 39 -0.414 -0.595 1.015 1.00 31.43 H new ATOM 585 N TYR A 40 0.425 1.256 2.622 1.00 11.34 N ATOM 586 CA TYR A 40 1.829 1.671 2.509 1.00 63.54 C ATOM 587 C TYR A 40 2.454 1.985 3.873 1.00 63.54 C ATOM 588 O TYR A 40 3.529 1.467 4.185 1.00 3.42 O ATOM 589 CB TYR A 40 1.933 2.900 1.579 1.00 41.11 C ATOM 590 CG TYR A 40 3.338 3.447 1.395 1.00 62.03 C ATOM 591 CD1 TYR A 40 4.213 2.878 0.477 1.00 45.22 C ATOM 592 CD2 TYR A 40 3.787 4.533 2.142 1.00 62.54 C ATOM 593 CE1 TYR A 40 5.490 3.375 0.309 1.00 44.24 C ATOM 594 CE2 TYR A 40 5.062 5.032 1.976 1.00 13.13 C ATOM 595 CZ TYR A 40 5.909 4.446 1.060 1.00 51.13 C ATOM 596 OH TYR A 40 7.181 4.940 0.891 1.00 32.23 O ATOM 0 H TYR A 40 -0.194 1.723 1.959 1.00 11.34 H new ATOM 0 HA TYR A 40 2.388 0.837 2.085 1.00 63.54 H new ATOM 0 HB2 TYR A 40 1.532 2.632 0.601 1.00 41.11 H new ATOM 0 HB3 TYR A 40 1.300 3.693 1.977 1.00 41.11 H new ATOM 0 HD1 TYR A 40 3.889 2.034 -0.114 1.00 45.22 H new ATOM 0 HD2 TYR A 40 3.126 4.992 2.863 1.00 62.54 H new ATOM 0 HE1 TYR A 40 6.157 2.923 -0.410 1.00 44.24 H new ATOM 0 HE2 TYR A 40 5.395 5.877 2.560 1.00 13.13 H new ATOM 0 HH TYR A 40 7.321 5.698 1.496 1.00 32.23 H new ATOM 870 N LEU A 58 -2.308 6.157 -10.089 1.00 0.24 N ATOM 871 CA LEU A 58 -3.042 5.139 -9.382 1.00 10.43 C ATOM 872 C LEU A 58 -3.437 4.029 -10.322 1.00 1.44 C ATOM 873 O LEU A 58 -4.273 4.230 -11.195 1.00 23.31 O ATOM 874 CB LEU A 58 -4.318 5.721 -8.767 1.00 12.43 C ATOM 875 CG LEU A 58 -4.164 6.818 -7.726 1.00 15.22 C ATOM 876 CD1 LEU A 58 -5.540 7.289 -7.285 1.00 20.35 C ATOM 877 CD2 LEU A 58 -3.367 6.316 -6.525 1.00 5.42 C ATOM 0 HA LEU A 58 -2.395 4.752 -8.595 1.00 10.43 H new ATOM 0 HB2 LEU A 58 -4.933 6.112 -9.578 1.00 12.43 H new ATOM 0 HB3 LEU A 58 -4.874 4.902 -8.311 1.00 12.43 H new ATOM 0 HG LEU A 58 -3.618 7.652 -8.168 1.00 15.22 H new ATOM 0 HD11 LEU A 58 -5.433 8.076 -6.538 1.00 20.35 H new ATOM 0 HD12 LEU A 58 -6.085 7.677 -8.146 1.00 20.35 H new ATOM 0 HD13 LEU A 58 -6.090 6.452 -6.854 1.00 20.35 H new ATOM 0 HD21 LEU A 58 -3.269 7.117 -5.793 1.00 5.42 H new ATOM 0 HD22 LEU A 58 -3.886 5.471 -6.071 1.00 5.42 H new ATOM 0 HD23 LEU A 58 -2.376 6.000 -6.852 1.00 5.42 H new ATOM 889 N ARG A 59 -2.809 2.890 -10.194 1.00 62.25 N ATOM 890 CA ARG A 59 -3.215 1.715 -10.938 1.00 34.33 C ATOM 891 C ARG A 59 -3.171 0.522 -10.055 1.00 22.30 C ATOM 892 O ARG A 59 -2.351 0.444 -9.136 1.00 31.52 O ATOM 893 CB ARG A 59 -2.409 1.408 -12.217 1.00 44.42 C ATOM 894 CG ARG A 59 -2.524 2.397 -13.378 1.00 51.25 C ATOM 895 CD ARG A 59 -1.725 3.654 -13.152 1.00 51.44 C ATOM 896 NE ARG A 59 -0.289 3.367 -13.053 1.00 12.21 N ATOM 897 CZ ARG A 59 0.674 4.232 -13.350 1.00 40.04 C ATOM 898 NH1 ARG A 59 0.370 5.468 -13.700 1.00 55.34 N ATOM 899 NH2 ARG A 59 1.942 3.863 -13.278 1.00 24.21 N ATOM 0 H ARG A 59 -2.009 2.745 -9.579 1.00 62.25 H new ATOM 0 HA ARG A 59 -4.225 1.947 -11.277 1.00 34.33 H new ATOM 0 HB2 ARG A 59 -1.357 1.333 -11.942 1.00 44.42 H new ATOM 0 HB3 ARG A 59 -2.714 0.426 -12.580 1.00 44.42 H new ATOM 0 HG2 ARG A 59 -2.185 1.916 -14.295 1.00 51.25 H new ATOM 0 HG3 ARG A 59 -3.572 2.659 -13.525 1.00 51.25 H new ATOM 0 HD2 ARG A 59 -1.902 4.351 -13.971 1.00 51.44 H new ATOM 0 HD3 ARG A 59 -2.064 4.142 -12.238 1.00 51.44 H new ATOM 0 HE ARG A 59 -0.011 2.439 -12.734 1.00 12.21 H new ATOM 0 HH11 ARG A 59 -0.606 5.760 -13.743 1.00 55.34 H new ATOM 0 HH12 ARG A 59 1.111 6.131 -13.928 1.00 55.34 H new ATOM 0 HH21 ARG A 59 2.181 2.913 -12.994 1.00 24.21 H new ATOM 0 HH22 ARG A 59 2.681 4.528 -13.506 1.00 24.21 H new ATOM 913 N LEU A 60 -4.034 -0.397 -10.322 1.00 4.15 N ATOM 914 CA LEU A 60 -4.092 -1.593 -9.576 1.00 25.52 C ATOM 915 C LEU A 60 -3.868 -2.783 -10.475 1.00 2.54 C ATOM 916 O LEU A 60 -4.438 -2.883 -11.575 1.00 54.32 O ATOM 917 CB LEU A 60 -5.410 -1.662 -8.774 1.00 5.23 C ATOM 918 CG LEU A 60 -6.727 -1.573 -9.561 1.00 32.22 C ATOM 919 CD1 LEU A 60 -7.119 -2.894 -10.212 1.00 23.02 C ATOM 920 CD2 LEU A 60 -7.832 -1.032 -8.705 1.00 43.14 C ATOM 0 H LEU A 60 -4.722 -0.333 -11.072 1.00 4.15 H new ATOM 0 HA LEU A 60 -3.287 -1.610 -8.841 1.00 25.52 H new ATOM 0 HB2 LEU A 60 -5.415 -2.598 -8.216 1.00 5.23 H new ATOM 0 HB3 LEU A 60 -5.401 -0.854 -8.042 1.00 5.23 H new ATOM 0 HG LEU A 60 -6.556 -0.871 -10.377 1.00 32.22 H new ATOM 0 HD11 LEU A 60 -8.057 -2.769 -10.753 1.00 23.02 H new ATOM 0 HD12 LEU A 60 -6.338 -3.203 -10.906 1.00 23.02 H new ATOM 0 HD13 LEU A 60 -7.243 -3.656 -9.443 1.00 23.02 H new ATOM 0 HD21 LEU A 60 -8.752 -0.980 -9.288 1.00 43.14 H new ATOM 0 HD22 LEU A 60 -7.982 -1.688 -7.848 1.00 43.14 H new ATOM 0 HD23 LEU A 60 -7.567 -0.034 -8.356 1.00 43.14 H new ATOM 932 N ILE A 61 -3.012 -3.632 -10.050 1.00 21.43 N ATOM 933 CA ILE A 61 -2.720 -4.827 -10.742 1.00 0.24 C ATOM 934 C ILE A 61 -3.413 -5.944 -10.025 1.00 54.31 C ATOM 935 O ILE A 61 -3.197 -6.166 -8.832 1.00 63.12 O ATOM 936 CB ILE A 61 -1.201 -5.090 -10.763 1.00 51.45 C ATOM 937 CG1 ILE A 61 -0.484 -3.946 -11.464 1.00 53.32 C ATOM 938 CG2 ILE A 61 -0.880 -6.421 -11.445 1.00 31.14 C ATOM 939 CD1 ILE A 61 1.025 -4.033 -11.391 1.00 12.00 C ATOM 0 H ILE A 61 -2.481 -3.512 -9.188 1.00 21.43 H new ATOM 0 HA ILE A 61 -3.061 -4.751 -11.775 1.00 0.24 H new ATOM 0 HB ILE A 61 -0.850 -5.150 -9.733 1.00 51.45 H new ATOM 0 HG12 ILE A 61 -0.787 -3.927 -12.511 1.00 53.32 H new ATOM 0 HG13 ILE A 61 -0.806 -3.003 -11.022 1.00 53.32 H new ATOM 0 HG21 ILE A 61 0.198 -6.579 -11.445 1.00 31.14 H new ATOM 0 HG22 ILE A 61 -1.366 -7.233 -10.905 1.00 31.14 H new ATOM 0 HG23 ILE A 61 -1.243 -6.400 -12.472 1.00 31.14 H new ATOM 0 HD11 ILE A 61 1.464 -3.183 -11.913 1.00 12.00 H new ATOM 0 HD12 ILE A 61 1.340 -4.020 -10.348 1.00 12.00 H new ATOM 0 HD13 ILE A 61 1.359 -4.959 -11.860 1.00 12.00 H new ATOM 951 N TYR A 62 -4.202 -6.656 -10.725 1.00 52.41 N ATOM 952 CA TYR A 62 -4.928 -7.717 -10.152 1.00 61.45 C ATOM 953 C TYR A 62 -4.181 -8.966 -10.491 1.00 30.53 C ATOM 954 O TYR A 62 -4.395 -9.590 -11.531 1.00 53.41 O ATOM 955 CB TYR A 62 -6.371 -7.718 -10.685 1.00 5.14 C ATOM 956 CG TYR A 62 -7.283 -8.776 -10.110 1.00 53.12 C ATOM 957 CD1 TYR A 62 -7.363 -8.977 -8.750 1.00 34.23 C ATOM 958 CD2 TYR A 62 -8.090 -9.552 -10.937 1.00 20.01 C ATOM 959 CE1 TYR A 62 -8.205 -9.914 -8.217 1.00 75.53 C ATOM 960 CE2 TYR A 62 -8.944 -10.496 -10.411 1.00 15.05 C ATOM 961 CZ TYR A 62 -8.998 -10.673 -9.045 1.00 41.40 C ATOM 962 OH TYR A 62 -9.843 -11.621 -8.505 1.00 11.41 O ATOM 0 H TYR A 62 -4.365 -6.519 -11.722 1.00 52.41 H new ATOM 0 HA TYR A 62 -5.014 -7.626 -9.069 1.00 61.45 H new ATOM 0 HB2 TYR A 62 -6.811 -6.740 -10.489 1.00 5.14 H new ATOM 0 HB3 TYR A 62 -6.338 -7.842 -11.767 1.00 5.14 H new ATOM 0 HD1 TYR A 62 -6.748 -8.382 -8.091 1.00 34.23 H new ATOM 0 HD2 TYR A 62 -8.046 -9.412 -12.007 1.00 20.01 H new ATOM 0 HE1 TYR A 62 -8.247 -10.057 -7.147 1.00 75.53 H new ATOM 0 HE2 TYR A 62 -9.566 -11.092 -11.063 1.00 15.05 H new ATOM 0 HH TYR A 62 -10.768 -11.414 -8.753 1.00 11.41 H new ATOM 972 N GLN A 63 -3.201 -9.221 -9.634 1.00 62.54 N ATOM 973 CA GLN A 63 -2.249 -10.252 -9.703 1.00 44.13 C ATOM 974 C GLN A 63 -1.294 -10.068 -10.900 1.00 41.14 C ATOM 975 O GLN A 63 -0.107 -9.816 -10.708 1.00 35.24 O ATOM 976 CB GLN A 63 -2.864 -11.607 -9.701 1.00 3.42 C ATOM 977 CG GLN A 63 -1.839 -12.629 -9.442 1.00 75.12 C ATOM 978 CD GLN A 63 -2.303 -14.051 -9.710 1.00 44.20 C ATOM 979 OE1 GLN A 63 -1.499 -14.910 -10.076 1.00 65.10 O ATOM 980 NE2 GLN A 63 -3.574 -14.314 -9.531 1.00 45.12 N ATOM 0 H GLN A 63 -3.065 -8.640 -8.806 1.00 62.54 H new ATOM 0 HA GLN A 63 -1.656 -10.180 -8.791 1.00 44.13 H new ATOM 0 HB2 GLN A 63 -3.642 -11.660 -8.939 1.00 3.42 H new ATOM 0 HB3 GLN A 63 -3.344 -11.798 -10.661 1.00 3.42 H new ATOM 0 HG2 GLN A 63 -0.967 -12.419 -10.061 1.00 75.12 H new ATOM 0 HG3 GLN A 63 -1.518 -12.552 -8.403 1.00 75.12 H new ATOM 0 HE21 GLN A 63 -4.210 -13.576 -9.227 1.00 45.12 H new ATOM 0 HE22 GLN A 63 -3.928 -15.256 -9.695 1.00 45.12 H new ATOM 989 N GLY A 64 -1.822 -10.162 -12.114 1.00 54.53 N ATOM 990 CA GLY A 64 -0.994 -10.042 -13.295 1.00 60.31 C ATOM 991 C GLY A 64 -1.464 -8.990 -14.303 1.00 20.23 C ATOM 992 O GLY A 64 -0.704 -8.613 -15.188 1.00 1.00 O ATOM 0 H GLY A 64 -2.812 -10.320 -12.300 1.00 54.53 H new ATOM 0 HA2 GLY A 64 0.023 -9.800 -12.986 1.00 60.31 H new ATOM 0 HA3 GLY A 64 -0.954 -11.010 -13.794 1.00 60.31 H new ATOM 996 N ARG A 65 -2.697 -8.498 -14.184 1.00 64.35 N ATOM 997 CA ARG A 65 -3.183 -7.511 -15.169 1.00 51.33 C ATOM 998 C ARG A 65 -3.622 -6.219 -14.474 1.00 73.41 C ATOM 999 O ARG A 65 -4.101 -6.260 -13.345 1.00 52.43 O ATOM 1000 CB ARG A 65 -4.376 -8.052 -16.033 1.00 14.45 C ATOM 1001 CG ARG A 65 -5.746 -8.126 -15.320 1.00 51.51 C ATOM 1002 CD ARG A 65 -5.836 -9.201 -14.246 1.00 5.42 C ATOM 1003 NE ARG A 65 -5.861 -10.547 -14.812 1.00 73.31 N ATOM 1004 CZ ARG A 65 -5.883 -11.685 -14.102 1.00 52.33 C ATOM 1005 NH1 ARG A 65 -5.694 -11.661 -12.786 1.00 44.45 N ATOM 1006 NH2 ARG A 65 -6.066 -12.845 -14.722 1.00 13.20 N ATOM 0 H ARG A 65 -3.360 -8.748 -13.450 1.00 64.35 H new ATOM 0 HA ARG A 65 -2.344 -7.313 -15.836 1.00 51.33 H new ATOM 0 HB2 ARG A 65 -4.480 -7.417 -16.913 1.00 14.45 H new ATOM 0 HB3 ARG A 65 -4.119 -9.050 -16.389 1.00 14.45 H new ATOM 0 HG2 ARG A 65 -5.960 -7.158 -14.867 1.00 51.51 H new ATOM 0 HG3 ARG A 65 -6.521 -8.307 -16.065 1.00 51.51 H new ATOM 0 HD2 ARG A 65 -4.986 -9.109 -13.570 1.00 5.42 H new ATOM 0 HD3 ARG A 65 -6.735 -9.043 -13.650 1.00 5.42 H new ATOM 0 HE ARG A 65 -5.862 -10.628 -15.829 1.00 73.31 H new ATOM 0 HH11 ARG A 65 -5.531 -10.774 -12.310 1.00 44.45 H new ATOM 0 HH12 ARG A 65 -5.712 -12.530 -12.252 1.00 44.45 H new ATOM 0 HH21 ARG A 65 -6.189 -12.868 -15.734 1.00 13.20 H new ATOM 0 HH22 ARG A 65 -6.083 -13.713 -14.186 1.00 13.20 H new ATOM 1020 N PHE A 66 -3.460 -5.087 -15.142 1.00 72.54 N ATOM 1021 CA PHE A 66 -3.930 -3.812 -14.597 1.00 34.32 C ATOM 1022 C PHE A 66 -5.413 -3.675 -14.955 1.00 3.31 C ATOM 1023 O PHE A 66 -5.756 -3.531 -16.135 1.00 54.01 O ATOM 1024 CB PHE A 66 -3.170 -2.627 -15.243 1.00 11.12 C ATOM 1025 CG PHE A 66 -1.665 -2.605 -15.064 1.00 0.20 C ATOM 1026 CD1 PHE A 66 -0.849 -3.438 -15.818 1.00 63.11 C ATOM 1027 CD2 PHE A 66 -1.067 -1.732 -14.164 1.00 5.34 C ATOM 1028 CE1 PHE A 66 0.521 -3.407 -15.674 1.00 73.52 C ATOM 1029 CE2 PHE A 66 0.307 -1.697 -14.023 1.00 14.02 C ATOM 1030 CZ PHE A 66 1.102 -2.535 -14.779 1.00 22.10 C ATOM 0 H PHE A 66 -3.011 -5.019 -16.055 1.00 72.54 H new ATOM 0 HA PHE A 66 -3.765 -3.795 -13.520 1.00 34.32 H new ATOM 0 HB2 PHE A 66 -3.386 -2.626 -16.311 1.00 11.12 H new ATOM 0 HB3 PHE A 66 -3.575 -1.701 -14.836 1.00 11.12 H new ATOM 0 HD1 PHE A 66 -1.294 -4.120 -16.527 1.00 63.11 H new ATOM 0 HD2 PHE A 66 -1.682 -1.074 -13.568 1.00 5.34 H new ATOM 0 HE1 PHE A 66 1.140 -4.067 -16.263 1.00 73.52 H new ATOM 0 HE2 PHE A 66 0.760 -1.013 -13.320 1.00 14.02 H new ATOM 0 HZ PHE A 66 2.176 -2.507 -14.669 1.00 22.10 H new ATOM 1040 N LEU A 67 -6.285 -3.736 -13.972 1.00 40.24 N ATOM 1041 CA LEU A 67 -7.726 -3.644 -14.265 1.00 23.31 C ATOM 1042 C LEU A 67 -8.238 -2.226 -14.460 1.00 10.04 C ATOM 1043 O LEU A 67 -8.956 -1.954 -15.424 1.00 24.43 O ATOM 1044 CB LEU A 67 -8.613 -4.467 -13.314 1.00 20.24 C ATOM 1045 CG LEU A 67 -8.570 -6.000 -13.489 1.00 12.24 C ATOM 1046 CD1 LEU A 67 -9.470 -6.675 -12.468 1.00 70.05 C ATOM 1047 CD2 LEU A 67 -9.014 -6.390 -14.897 1.00 42.43 C ATOM 0 H LEU A 67 -6.047 -3.845 -12.986 1.00 40.24 H new ATOM 0 HA LEU A 67 -7.818 -4.120 -15.241 1.00 23.31 H new ATOM 0 HB2 LEU A 67 -8.325 -4.232 -12.289 1.00 20.24 H new ATOM 0 HB3 LEU A 67 -9.645 -4.138 -13.439 1.00 20.24 H new ATOM 0 HG LEU A 67 -7.543 -6.331 -13.335 1.00 12.24 H new ATOM 0 HD11 LEU A 67 -9.429 -7.756 -12.605 1.00 70.05 H new ATOM 0 HD12 LEU A 67 -9.133 -6.423 -11.463 1.00 70.05 H new ATOM 0 HD13 LEU A 67 -10.495 -6.331 -12.603 1.00 70.05 H new ATOM 0 HD21 LEU A 67 -8.978 -7.474 -15.003 1.00 42.43 H new ATOM 0 HD22 LEU A 67 -10.033 -6.043 -15.066 1.00 42.43 H new ATOM 0 HD23 LEU A 67 -8.348 -5.932 -15.628 1.00 42.43 H new ATOM 1059 N HIS A 68 -7.870 -1.320 -13.566 1.00 40.41 N ATOM 1060 CA HIS A 68 -8.285 0.073 -13.677 1.00 15.13 C ATOM 1061 C HIS A 68 -7.517 0.850 -12.617 1.00 0.24 C ATOM 1062 O HIS A 68 -6.761 0.254 -11.857 1.00 61.00 O ATOM 1063 CB HIS A 68 -9.820 0.215 -13.458 1.00 24.41 C ATOM 1064 CG HIS A 68 -10.434 1.427 -14.122 1.00 44.13 C ATOM 1065 ND1 HIS A 68 -10.961 2.512 -13.445 1.00 42.20 N ATOM 1066 CD2 HIS A 68 -10.633 1.685 -15.432 1.00 3.13 C ATOM 1067 CE1 HIS A 68 -11.452 3.373 -14.317 1.00 44.13 C ATOM 1068 NE2 HIS A 68 -11.264 2.894 -15.524 1.00 12.31 N ATOM 0 H HIS A 68 -7.285 -1.523 -12.755 1.00 40.41 H new ATOM 0 HA HIS A 68 -8.070 0.459 -14.673 1.00 15.13 H new ATOM 0 HB2 HIS A 68 -10.313 -0.681 -13.836 1.00 24.41 H new ATOM 0 HB3 HIS A 68 -10.020 0.262 -12.387 1.00 24.41 H new ATOM 0 HD1 HIS A 68 -10.969 2.628 -12.432 1.00 42.20 H new ATOM 0 HD2 HIS A 68 -10.346 1.051 -16.258 1.00 3.13 H new ATOM 0 HE1 HIS A 68 -11.928 4.312 -14.077 1.00 44.13 H new ATOM 1077 N GLY A 69 -7.675 2.140 -12.583 1.00 44.04 N ATOM 1078 CA GLY A 69 -6.967 2.959 -11.622 1.00 74.22 C ATOM 1079 C GLY A 69 -7.628 3.102 -10.254 1.00 45.21 C ATOM 1080 O GLY A 69 -7.072 3.747 -9.378 1.00 4.33 O ATOM 0 H GLY A 69 -8.290 2.658 -13.210 1.00 44.04 H new ATOM 0 HA2 GLY A 69 -5.971 2.540 -11.481 1.00 74.22 H new ATOM 0 HA3 GLY A 69 -6.837 3.954 -12.047 1.00 74.22 H new ATOM 1084 N ASN A 70 -8.794 2.497 -10.048 1.00 14.15 N ATOM 1085 CA ASN A 70 -9.569 2.768 -8.814 1.00 33.31 C ATOM 1086 C ASN A 70 -10.733 1.794 -8.646 1.00 71.32 C ATOM 1087 O ASN A 70 -11.651 2.046 -7.858 1.00 53.03 O ATOM 1088 CB ASN A 70 -10.145 4.207 -8.867 1.00 3.43 C ATOM 1089 CG ASN A 70 -11.168 4.409 -9.996 1.00 42.13 C ATOM 1090 OD1 ASN A 70 -11.112 3.748 -11.046 1.00 22.21 O ATOM 1091 ND2 ASN A 70 -12.089 5.310 -9.797 1.00 63.12 N ATOM 0 H ASN A 70 -9.224 1.832 -10.691 1.00 14.15 H new ATOM 0 HA ASN A 70 -8.889 2.649 -7.971 1.00 33.31 H new ATOM 0 HB2 ASN A 70 -10.617 4.438 -7.912 1.00 3.43 H new ATOM 0 HB3 ASN A 70 -9.326 4.915 -8.997 1.00 3.43 H new ATOM 0 HD21 ASN A 70 -12.791 5.489 -10.515 1.00 63.12 H new ATOM 0 HD22 ASN A 70 -12.108 5.836 -8.923 1.00 63.12 H new ATOM 1098 N VAL A 71 -10.674 0.670 -9.326 1.00 42.43 N ATOM 1099 CA VAL A 71 -11.783 -0.267 -9.305 1.00 4.41 C ATOM 1100 C VAL A 71 -11.818 -1.020 -7.963 1.00 21.34 C ATOM 1101 O VAL A 71 -10.770 -1.250 -7.332 1.00 22.41 O ATOM 1102 CB VAL A 71 -11.776 -1.220 -10.559 1.00 55.32 C ATOM 1103 CG1 VAL A 71 -10.550 -2.073 -10.640 1.00 31.11 C ATOM 1104 CG2 VAL A 71 -13.020 -2.058 -10.651 1.00 32.23 C ATOM 0 H VAL A 71 -9.879 0.381 -9.896 1.00 42.43 H new ATOM 0 HA VAL A 71 -12.714 0.294 -9.382 1.00 4.41 H new ATOM 0 HB VAL A 71 -11.760 -0.556 -11.423 1.00 55.32 H new ATOM 0 HG11 VAL A 71 -10.605 -2.707 -11.525 1.00 31.11 H new ATOM 0 HG12 VAL A 71 -9.667 -1.436 -10.704 1.00 31.11 H new ATOM 0 HG13 VAL A 71 -10.482 -2.698 -9.750 1.00 31.11 H new ATOM 0 HG21 VAL A 71 -12.964 -2.697 -11.533 1.00 32.23 H new ATOM 0 HG22 VAL A 71 -13.108 -2.678 -9.759 1.00 32.23 H new ATOM 0 HG23 VAL A 71 -13.892 -1.408 -10.728 1.00 32.23 H new ATOM 1114 N THR A 72 -13.009 -1.340 -7.521 1.00 22.42 N ATOM 1115 CA THR A 72 -13.234 -1.956 -6.247 1.00 11.43 C ATOM 1116 C THR A 72 -12.931 -3.450 -6.293 1.00 75.22 C ATOM 1117 O THR A 72 -12.954 -4.061 -7.366 1.00 42.31 O ATOM 1118 CB THR A 72 -14.691 -1.717 -5.834 1.00 33.31 C ATOM 1119 OG1 THR A 72 -15.550 -2.155 -6.898 1.00 60.20 O ATOM 1120 CG2 THR A 72 -14.936 -0.238 -5.575 1.00 43.34 C ATOM 0 H THR A 72 -13.864 -1.174 -8.052 1.00 22.42 H new ATOM 0 HA THR A 72 -12.562 -1.511 -5.513 1.00 11.43 H new ATOM 0 HB THR A 72 -14.899 -2.273 -4.920 1.00 33.31 H new ATOM 0 HG1 THR A 72 -16.485 -2.009 -6.645 1.00 60.20 H new ATOM 0 HG21 THR A 72 -15.975 -0.087 -5.283 1.00 43.34 H new ATOM 0 HG22 THR A 72 -14.281 0.105 -4.774 1.00 43.34 H new ATOM 0 HG23 THR A 72 -14.728 0.330 -6.482 1.00 43.34 H new ATOM 1128 N LEU A 73 -12.659 -4.035 -5.132 1.00 44.15 N ATOM 1129 CA LEU A 73 -12.313 -5.441 -5.043 1.00 43.44 C ATOM 1130 C LEU A 73 -13.493 -6.310 -5.430 1.00 45.23 C ATOM 1131 O LEU A 73 -13.324 -7.359 -6.033 1.00 14.11 O ATOM 1132 CB LEU A 73 -11.826 -5.821 -3.647 1.00 62.31 C ATOM 1133 CG LEU A 73 -10.679 -4.996 -3.040 1.00 51.12 C ATOM 1134 CD1 LEU A 73 -9.562 -4.742 -4.025 1.00 42.24 C ATOM 1135 CD2 LEU A 73 -11.157 -3.726 -2.363 1.00 23.32 C ATOM 0 H LEU A 73 -12.673 -3.549 -4.235 1.00 44.15 H new ATOM 0 HA LEU A 73 -11.496 -5.613 -5.743 1.00 43.44 H new ATOM 0 HB2 LEU A 73 -12.677 -5.763 -2.968 1.00 62.31 H new ATOM 0 HB3 LEU A 73 -11.511 -6.864 -3.674 1.00 62.31 H new ATOM 0 HG LEU A 73 -10.255 -5.614 -2.249 1.00 51.12 H new ATOM 0 HD11 LEU A 73 -8.779 -4.156 -3.544 1.00 42.24 H new ATOM 0 HD12 LEU A 73 -9.149 -5.693 -4.360 1.00 42.24 H new ATOM 0 HD13 LEU A 73 -9.951 -4.193 -4.883 1.00 42.24 H new ATOM 0 HD21 LEU A 73 -10.302 -3.187 -1.955 1.00 23.32 H new ATOM 0 HD22 LEU A 73 -11.669 -3.096 -3.091 1.00 23.32 H new ATOM 0 HD23 LEU A 73 -11.845 -3.980 -1.556 1.00 23.32 H new ATOM 1147 N GLY A 74 -14.694 -5.861 -5.090 1.00 53.33 N ATOM 1148 CA GLY A 74 -15.889 -6.590 -5.471 1.00 33.23 C ATOM 1149 C GLY A 74 -16.017 -6.688 -6.982 1.00 62.35 C ATOM 1150 O GLY A 74 -16.446 -7.711 -7.517 1.00 70.31 O ATOM 0 H GLY A 74 -14.863 -5.007 -4.558 1.00 53.33 H new ATOM 0 HA2 GLY A 74 -15.860 -7.591 -5.041 1.00 33.23 H new ATOM 0 HA3 GLY A 74 -16.768 -6.092 -5.061 1.00 33.23 H new ATOM 1154 N ALA A 75 -15.590 -5.639 -7.663 1.00 61.15 N ATOM 1155 CA ALA A 75 -15.653 -5.563 -9.111 1.00 72.11 C ATOM 1156 C ALA A 75 -14.569 -6.427 -9.764 1.00 62.43 C ATOM 1157 O ALA A 75 -14.650 -6.748 -10.946 1.00 1.44 O ATOM 1158 CB ALA A 75 -15.535 -4.123 -9.560 1.00 24.13 C ATOM 0 H ALA A 75 -15.187 -4.811 -7.224 1.00 61.15 H new ATOM 0 HA ALA A 75 -16.619 -5.954 -9.431 1.00 72.11 H new ATOM 0 HB1 ALA A 75 -15.583 -4.076 -10.648 1.00 24.13 H new ATOM 0 HB2 ALA A 75 -16.353 -3.541 -9.135 1.00 24.13 H new ATOM 0 HB3 ALA A 75 -14.584 -3.713 -9.221 1.00 24.13 H new ATOM 1164 N LEU A 76 -13.569 -6.817 -8.986 1.00 70.11 N ATOM 1165 CA LEU A 76 -12.469 -7.661 -9.478 1.00 42.15 C ATOM 1166 C LEU A 76 -12.909 -9.127 -9.447 1.00 4.14 C ATOM 1167 O LEU A 76 -12.145 -10.033 -9.786 1.00 64.40 O ATOM 1168 CB LEU A 76 -11.264 -7.539 -8.556 1.00 5.00 C ATOM 1169 CG LEU A 76 -10.765 -6.151 -8.205 1.00 21.12 C ATOM 1170 CD1 LEU A 76 -9.656 -6.278 -7.217 1.00 10.53 C ATOM 1171 CD2 LEU A 76 -10.265 -5.427 -9.409 1.00 62.23 C ATOM 0 H LEU A 76 -13.490 -6.564 -8.001 1.00 70.11 H new ATOM 0 HA LEU A 76 -12.213 -7.341 -10.488 1.00 42.15 H new ATOM 0 HB2 LEU A 76 -11.505 -8.051 -7.624 1.00 5.00 H new ATOM 0 HB3 LEU A 76 -10.438 -8.083 -9.014 1.00 5.00 H new ATOM 0 HG LEU A 76 -11.595 -5.581 -7.789 1.00 21.12 H new ATOM 0 HD11 LEU A 76 -9.287 -5.286 -6.955 1.00 10.53 H new ATOM 0 HD12 LEU A 76 -10.023 -6.777 -6.320 1.00 10.53 H new ATOM 0 HD13 LEU A 76 -8.846 -6.863 -7.652 1.00 10.53 H new ATOM 0 HD21 LEU A 76 -9.916 -4.436 -9.119 1.00 62.23 H new ATOM 0 HD22 LEU A 76 -9.442 -5.986 -9.854 1.00 62.23 H new ATOM 0 HD23 LEU A 76 -11.072 -5.329 -10.136 1.00 62.23 H new ATOM 1183 N LYS A 77 -14.151 -9.330 -9.041 1.00 11.44 N ATOM 1184 CA LYS A 77 -14.768 -10.637 -8.854 1.00 52.04 C ATOM 1185 C LYS A 77 -14.227 -11.332 -7.617 1.00 43.40 C ATOM 1186 O LYS A 77 -13.370 -12.226 -7.700 1.00 21.32 O ATOM 1187 CB LYS A 77 -14.739 -11.596 -10.090 1.00 43.42 C ATOM 1188 CG LYS A 77 -15.452 -11.110 -11.357 1.00 44.54 C ATOM 1189 CD LYS A 77 -14.709 -9.973 -12.052 1.00 54.35 C ATOM 1190 CE LYS A 77 -15.452 -9.497 -13.288 1.00 15.31 C ATOM 1191 NZ LYS A 77 -15.647 -10.578 -14.274 1.00 22.31 N ATOM 0 H LYS A 77 -14.784 -8.560 -8.824 1.00 11.44 H new ATOM 0 HA LYS A 77 -15.825 -10.407 -8.717 1.00 52.04 H new ATOM 0 HB2 LYS A 77 -13.697 -11.795 -10.341 1.00 43.42 H new ATOM 0 HB3 LYS A 77 -15.183 -12.546 -9.793 1.00 43.42 H new ATOM 0 HG2 LYS A 77 -15.561 -11.944 -12.050 1.00 44.54 H new ATOM 0 HG3 LYS A 77 -16.457 -10.777 -11.098 1.00 44.54 H new ATOM 0 HD2 LYS A 77 -14.584 -9.141 -11.359 1.00 54.35 H new ATOM 0 HD3 LYS A 77 -13.710 -10.307 -12.333 1.00 54.35 H new ATOM 0 HE2 LYS A 77 -16.422 -9.096 -12.994 1.00 15.31 H new ATOM 0 HE3 LYS A 77 -14.897 -8.681 -13.751 1.00 15.31 H new ATOM 0 HZ1 LYS A 77 -15.938 -10.169 -15.185 1.00 22.31 H new ATOM 0 HZ2 LYS A 77 -14.756 -11.100 -14.398 1.00 22.31 H new ATOM 0 HZ3 LYS A 77 -16.385 -11.228 -13.935 1.00 22.31 H new ATOM 1205 N LEU A 78 -14.661 -10.858 -6.472 1.00 5.22 N ATOM 1206 CA LEU A 78 -14.296 -11.450 -5.205 1.00 30.40 C ATOM 1207 C LEU A 78 -15.504 -11.764 -4.378 1.00 71.24 C ATOM 1208 O LEU A 78 -16.242 -10.859 -3.961 1.00 1.11 O ATOM 1209 CB LEU A 78 -13.327 -10.595 -4.345 1.00 21.31 C ATOM 1210 CG LEU A 78 -11.829 -10.599 -4.689 1.00 11.52 C ATOM 1211 CD1 LEU A 78 -11.561 -10.042 -6.050 1.00 32.23 C ATOM 1212 CD2 LEU A 78 -11.056 -9.836 -3.636 1.00 42.41 C ATOM 0 H LEU A 78 -15.278 -10.050 -6.392 1.00 5.22 H new ATOM 0 HA LEU A 78 -13.768 -12.362 -5.484 1.00 30.40 H new ATOM 0 HB2 LEU A 78 -13.672 -9.562 -4.388 1.00 21.31 H new ATOM 0 HB3 LEU A 78 -13.428 -10.922 -3.310 1.00 21.31 H new ATOM 0 HG LEU A 78 -11.494 -11.636 -4.700 1.00 11.52 H new ATOM 0 HD11 LEU A 78 -10.489 -10.065 -6.248 1.00 32.23 H new ATOM 0 HD12 LEU A 78 -12.081 -10.641 -6.797 1.00 32.23 H new ATOM 0 HD13 LEU A 78 -11.917 -9.013 -6.098 1.00 32.23 H new ATOM 0 HD21 LEU A 78 -9.995 -9.843 -3.887 1.00 42.41 H new ATOM 0 HD22 LEU A 78 -11.413 -8.807 -3.597 1.00 42.41 H new ATOM 0 HD23 LEU A 78 -11.202 -10.307 -2.664 1.00 42.41 H new ATOM 1224 N PRO A 79 -15.767 -13.041 -4.181 1.00 44.11 N ATOM 1225 CA PRO A 79 -16.742 -13.483 -3.210 1.00 52.34 C ATOM 1226 C PRO A 79 -16.196 -13.168 -1.813 1.00 33.42 C ATOM 1227 O PRO A 79 -14.968 -13.074 -1.628 1.00 21.21 O ATOM 1228 CB PRO A 79 -16.819 -15.006 -3.414 1.00 12.44 C ATOM 1229 CG PRO A 79 -16.114 -15.279 -4.701 1.00 43.44 C ATOM 1230 CD PRO A 79 -15.156 -14.145 -4.917 1.00 23.11 C ATOM 0 HA PRO A 79 -17.717 -13.007 -3.316 1.00 52.34 H new ATOM 0 HB2 PRO A 79 -16.345 -15.536 -2.588 1.00 12.44 H new ATOM 0 HB3 PRO A 79 -17.855 -15.343 -3.456 1.00 12.44 H new ATOM 0 HG2 PRO A 79 -15.584 -16.230 -4.658 1.00 43.44 H new ATOM 0 HG3 PRO A 79 -16.825 -15.347 -5.525 1.00 43.44 H new ATOM 0 HD2 PRO A 79 -14.162 -14.380 -4.536 1.00 23.11 H new ATOM 0 HD3 PRO A 79 -15.044 -13.909 -5.975 1.00 23.11 H new ATOM 1238 N PHE A 80 -17.061 -13.001 -0.849 1.00 41.54 N ATOM 1239 CA PHE A 80 -16.606 -12.651 0.488 1.00 14.45 C ATOM 1240 C PHE A 80 -15.884 -13.833 1.092 1.00 10.02 C ATOM 1241 O PHE A 80 -16.259 -14.985 0.850 1.00 64.15 O ATOM 1242 CB PHE A 80 -17.771 -12.299 1.403 1.00 23.11 C ATOM 1243 CG PHE A 80 -18.742 -11.307 0.857 1.00 51.30 C ATOM 1244 CD1 PHE A 80 -18.322 -10.202 0.143 1.00 10.21 C ATOM 1245 CD2 PHE A 80 -20.093 -11.508 1.046 1.00 12.53 C ATOM 1246 CE1 PHE A 80 -19.237 -9.310 -0.367 1.00 24.21 C ATOM 1247 CE2 PHE A 80 -21.016 -10.621 0.537 1.00 70.11 C ATOM 1248 CZ PHE A 80 -20.587 -9.520 -0.171 1.00 72.34 C ATOM 0 H PHE A 80 -18.071 -13.098 -0.951 1.00 41.54 H new ATOM 0 HA PHE A 80 -15.950 -11.785 0.399 1.00 14.45 H new ATOM 0 HB2 PHE A 80 -18.311 -13.215 1.643 1.00 23.11 H new ATOM 0 HB3 PHE A 80 -17.370 -11.911 2.339 1.00 23.11 H new ATOM 0 HD1 PHE A 80 -17.267 -10.037 -0.016 1.00 10.21 H new ATOM 0 HD2 PHE A 80 -20.432 -12.371 1.600 1.00 12.53 H new ATOM 0 HE1 PHE A 80 -18.899 -8.446 -0.920 1.00 24.21 H new ATOM 0 HE2 PHE A 80 -22.072 -10.788 0.692 1.00 70.11 H new ATOM 0 HZ PHE A 80 -21.306 -8.822 -0.572 1.00 72.34 H new ATOM 1258 N GLY A 81 -14.860 -13.566 1.856 1.00 35.05 N ATOM 1259 CA GLY A 81 -14.147 -14.638 2.501 1.00 15.54 C ATOM 1260 C GLY A 81 -13.032 -15.207 1.658 1.00 24.55 C ATOM 1261 O GLY A 81 -12.466 -16.240 1.996 1.00 34.34 O ATOM 0 H GLY A 81 -14.503 -12.630 2.046 1.00 35.05 H new ATOM 0 HA2 GLY A 81 -13.733 -14.275 3.442 1.00 15.54 H new ATOM 0 HA3 GLY A 81 -14.849 -15.435 2.748 1.00 15.54 H new ATOM 1265 N LYS A 82 -12.711 -14.558 0.566 1.00 61.20 N ATOM 1266 CA LYS A 82 -11.640 -15.030 -0.282 1.00 74.13 C ATOM 1267 C LYS A 82 -10.389 -14.221 -0.046 1.00 73.23 C ATOM 1268 O LYS A 82 -10.452 -12.992 0.103 1.00 11.01 O ATOM 1269 CB LYS A 82 -12.023 -14.947 -1.764 1.00 33.34 C ATOM 1270 CG LYS A 82 -13.242 -15.768 -2.164 1.00 65.05 C ATOM 1271 CD LYS A 82 -13.042 -17.252 -1.927 1.00 31.35 C ATOM 1272 CE LYS A 82 -14.257 -18.037 -2.378 1.00 23.52 C ATOM 1273 NZ LYS A 82 -14.098 -19.491 -2.164 1.00 22.10 N ATOM 0 H LYS A 82 -13.171 -13.707 0.243 1.00 61.20 H new ATOM 0 HA LYS A 82 -11.456 -16.074 -0.028 1.00 74.13 H new ATOM 0 HB2 LYS A 82 -12.208 -13.903 -2.017 1.00 33.34 H new ATOM 0 HB3 LYS A 82 -11.172 -15.274 -2.362 1.00 33.34 H new ATOM 0 HG2 LYS A 82 -14.109 -15.426 -1.598 1.00 65.05 H new ATOM 0 HG3 LYS A 82 -13.462 -15.597 -3.218 1.00 65.05 H new ATOM 0 HD2 LYS A 82 -12.160 -17.596 -2.468 1.00 31.35 H new ATOM 0 HD3 LYS A 82 -12.858 -17.434 -0.868 1.00 31.35 H new ATOM 0 HE2 LYS A 82 -15.135 -17.686 -1.836 1.00 23.52 H new ATOM 0 HE3 LYS A 82 -14.438 -17.846 -3.436 1.00 23.52 H new ATOM 0 HZ1 LYS A 82 -14.954 -19.985 -2.488 1.00 22.10 H new ATOM 0 HZ2 LYS A 82 -13.276 -19.833 -2.702 1.00 22.10 H new ATOM 0 HZ3 LYS A 82 -13.952 -19.679 -1.152 1.00 22.10 H new ATOM 1287 N THR A 83 -9.271 -14.895 0.003 1.00 74.54 N ATOM 1288 CA THR A 83 -7.998 -14.249 0.146 1.00 40.22 C ATOM 1289 C THR A 83 -7.445 -13.999 -1.242 1.00 75.13 C ATOM 1290 O THR A 83 -7.226 -14.940 -2.015 1.00 4.13 O ATOM 1291 CB THR A 83 -7.027 -15.110 0.987 1.00 44.03 C ATOM 1292 OG1 THR A 83 -7.637 -15.399 2.265 1.00 63.44 O ATOM 1293 CG2 THR A 83 -5.716 -14.379 1.223 1.00 42.21 C ATOM 0 H THR A 83 -9.220 -15.912 -0.056 1.00 74.54 H new ATOM 0 HA THR A 83 -8.117 -13.304 0.676 1.00 40.22 H new ATOM 0 HB THR A 83 -6.821 -16.031 0.442 1.00 44.03 H new ATOM 0 HG1 THR A 83 -7.027 -15.946 2.802 1.00 63.44 H new ATOM 0 HG21 THR A 83 -5.051 -15.006 1.817 1.00 42.21 H new ATOM 0 HG22 THR A 83 -5.246 -14.157 0.265 1.00 42.21 H new ATOM 0 HG23 THR A 83 -5.909 -13.448 1.757 1.00 42.21 H new ATOM 1301 N THR A 84 -7.263 -12.748 -1.571 1.00 43.34 N ATOM 1302 CA THR A 84 -6.842 -12.379 -2.893 1.00 53.14 C ATOM 1303 C THR A 84 -5.650 -11.401 -2.847 1.00 15.23 C ATOM 1304 O THR A 84 -5.630 -10.459 -2.045 1.00 64.15 O ATOM 1305 CB THR A 84 -8.032 -11.748 -3.638 1.00 3.53 C ATOM 1306 OG1 THR A 84 -9.157 -12.651 -3.572 1.00 61.42 O ATOM 1307 CG2 THR A 84 -7.701 -11.489 -5.090 1.00 43.31 C ATOM 0 H THR A 84 -7.401 -11.963 -0.935 1.00 43.34 H new ATOM 0 HA THR A 84 -6.509 -13.272 -3.422 1.00 53.14 H new ATOM 0 HB THR A 84 -8.267 -10.795 -3.163 1.00 3.53 H new ATOM 0 HG1 THR A 84 -9.527 -12.778 -4.470 1.00 61.42 H new ATOM 0 HG21 THR A 84 -8.563 -11.043 -5.586 1.00 43.31 H new ATOM 0 HG22 THR A 84 -6.853 -10.807 -5.154 1.00 43.31 H new ATOM 0 HG23 THR A 84 -7.448 -12.430 -5.579 1.00 43.31 H new ATOM 1315 N VAL A 85 -4.665 -11.646 -3.693 1.00 60.12 N ATOM 1316 CA VAL A 85 -3.474 -10.818 -3.761 1.00 74.45 C ATOM 1317 C VAL A 85 -3.523 -9.859 -4.964 1.00 4.31 C ATOM 1318 O VAL A 85 -3.956 -10.239 -6.065 1.00 2.41 O ATOM 1319 CB VAL A 85 -2.178 -11.693 -3.823 1.00 53.03 C ATOM 1320 CG1 VAL A 85 -2.185 -12.618 -5.038 1.00 25.22 C ATOM 1321 CG2 VAL A 85 -0.930 -10.828 -3.820 1.00 72.53 C ATOM 0 H VAL A 85 -4.668 -12.424 -4.352 1.00 60.12 H new ATOM 0 HA VAL A 85 -3.446 -10.222 -2.849 1.00 74.45 H new ATOM 0 HB VAL A 85 -2.165 -12.314 -2.927 1.00 53.03 H new ATOM 0 HG11 VAL A 85 -1.270 -13.211 -5.049 1.00 25.22 H new ATOM 0 HG12 VAL A 85 -3.047 -13.283 -4.984 1.00 25.22 H new ATOM 0 HG13 VAL A 85 -2.242 -12.022 -5.949 1.00 25.22 H new ATOM 0 HG21 VAL A 85 -0.046 -11.464 -3.864 1.00 72.53 H new ATOM 0 HG22 VAL A 85 -0.944 -10.166 -4.686 1.00 72.53 H new ATOM 0 HG23 VAL A 85 -0.903 -10.232 -2.908 1.00 72.53 H new ATOM 1331 N MET A 86 -3.101 -8.625 -4.749 1.00 71.24 N ATOM 1332 CA MET A 86 -3.031 -7.631 -5.799 1.00 30.13 C ATOM 1333 C MET A 86 -1.721 -6.905 -5.730 1.00 61.41 C ATOM 1334 O MET A 86 -1.136 -6.779 -4.670 1.00 5.14 O ATOM 1335 CB MET A 86 -4.141 -6.608 -5.675 1.00 60.51 C ATOM 1336 CG MET A 86 -5.527 -7.163 -5.789 1.00 25.43 C ATOM 1337 SD MET A 86 -6.769 -5.880 -5.701 1.00 10.22 S ATOM 1338 CE MET A 86 -6.372 -4.927 -7.161 1.00 31.30 C ATOM 0 H MET A 86 -2.797 -8.286 -3.837 1.00 71.24 H new ATOM 0 HA MET A 86 -3.134 -8.157 -6.748 1.00 30.13 H new ATOM 0 HB2 MET A 86 -4.045 -6.105 -4.713 1.00 60.51 H new ATOM 0 HB3 MET A 86 -4.004 -5.850 -6.446 1.00 60.51 H new ATOM 0 HG2 MET A 86 -5.626 -7.700 -6.732 1.00 25.43 H new ATOM 0 HG3 MET A 86 -5.695 -7.886 -4.991 1.00 25.43 H new ATOM 0 HE1 MET A 86 -7.201 -4.260 -7.397 1.00 31.30 H new ATOM 0 HE2 MET A 86 -5.473 -4.338 -6.978 1.00 31.30 H new ATOM 0 HE3 MET A 86 -6.199 -5.601 -8.000 1.00 31.30 H new ATOM 1348 N HIS A 87 -1.268 -6.424 -6.848 1.00 24.31 N ATOM 1349 CA HIS A 87 -0.036 -5.663 -6.902 1.00 31.10 C ATOM 1350 C HIS A 87 -0.388 -4.220 -7.149 1.00 20.44 C ATOM 1351 O HIS A 87 -1.206 -3.925 -8.003 1.00 51.50 O ATOM 1352 CB HIS A 87 0.929 -6.180 -7.985 1.00 44.42 C ATOM 1353 CG HIS A 87 1.525 -7.547 -7.728 1.00 53.33 C ATOM 1354 ND1 HIS A 87 2.879 -7.754 -7.593 1.00 33.51 N ATOM 1355 CD2 HIS A 87 0.954 -8.782 -7.615 1.00 23.42 C ATOM 1356 CE1 HIS A 87 3.117 -9.032 -7.407 1.00 3.20 C ATOM 1357 NE2 HIS A 87 1.972 -9.676 -7.415 1.00 43.41 N ATOM 0 H HIS A 87 -1.732 -6.542 -7.749 1.00 24.31 H new ATOM 0 HA HIS A 87 0.487 -5.775 -5.952 1.00 31.10 H new ATOM 0 HB2 HIS A 87 0.398 -6.207 -8.937 1.00 44.42 H new ATOM 0 HB3 HIS A 87 1.743 -5.463 -8.094 1.00 44.42 H new ATOM 0 HD2 HIS A 87 -0.100 -9.010 -7.672 1.00 23.42 H new ATOM 0 HE1 HIS A 87 4.091 -9.479 -7.270 1.00 3.20 H new ATOM 0 HE2 HIS A 87 1.859 -10.682 -7.292 1.00 43.41 H new ATOM 1366 N LEU A 88 0.173 -3.333 -6.395 1.00 13.51 N ATOM 1367 CA LEU A 88 -0.181 -1.941 -6.520 1.00 32.14 C ATOM 1368 C LEU A 88 0.997 -1.124 -6.956 1.00 64.14 C ATOM 1369 O LEU A 88 2.137 -1.388 -6.545 1.00 62.25 O ATOM 1370 CB LEU A 88 -0.765 -1.382 -5.199 1.00 20.22 C ATOM 1371 CG LEU A 88 -2.108 -1.975 -4.697 1.00 63.53 C ATOM 1372 CD1 LEU A 88 -3.208 -1.809 -5.727 1.00 61.52 C ATOM 1373 CD2 LEU A 88 -1.968 -3.430 -4.278 1.00 35.01 C ATOM 0 H LEU A 88 0.877 -3.537 -5.686 1.00 13.51 H new ATOM 0 HA LEU A 88 -0.954 -1.871 -7.286 1.00 32.14 H new ATOM 0 HB2 LEU A 88 -0.021 -1.526 -4.416 1.00 20.22 H new ATOM 0 HB3 LEU A 88 -0.897 -0.307 -5.319 1.00 20.22 H new ATOM 0 HG LEU A 88 -2.391 -1.408 -3.810 1.00 63.53 H new ATOM 0 HD11 LEU A 88 -4.134 -2.236 -5.342 1.00 61.52 H new ATOM 0 HD12 LEU A 88 -3.355 -0.749 -5.934 1.00 61.52 H new ATOM 0 HD13 LEU A 88 -2.926 -2.323 -6.646 1.00 61.52 H new ATOM 0 HD21 LEU A 88 -2.932 -3.804 -3.934 1.00 35.01 H new ATOM 0 HD22 LEU A 88 -1.632 -4.023 -5.129 1.00 35.01 H new ATOM 0 HD23 LEU A 88 -1.240 -3.508 -3.471 1.00 35.01 H new ATOM 1385 N VAL A 89 0.740 -0.156 -7.801 1.00 52.54 N ATOM 1386 CA VAL A 89 1.769 0.731 -8.254 1.00 15.03 C ATOM 1387 C VAL A 89 1.411 2.170 -7.884 1.00 15.22 C ATOM 1388 O VAL A 89 0.273 2.612 -8.074 1.00 31.42 O ATOM 1389 CB VAL A 89 2.025 0.598 -9.796 1.00 15.12 C ATOM 1390 CG1 VAL A 89 2.561 -0.786 -10.134 1.00 62.22 C ATOM 1391 CG2 VAL A 89 0.753 0.851 -10.592 1.00 33.42 C ATOM 0 H VAL A 89 -0.184 0.034 -8.189 1.00 52.54 H new ATOM 0 HA VAL A 89 2.697 0.452 -7.755 1.00 15.03 H new ATOM 0 HB VAL A 89 2.765 1.351 -10.068 1.00 15.12 H new ATOM 0 HG11 VAL A 89 2.732 -0.858 -11.208 1.00 62.22 H new ATOM 0 HG12 VAL A 89 3.500 -0.952 -9.605 1.00 62.22 H new ATOM 0 HG13 VAL A 89 1.836 -1.541 -9.831 1.00 62.22 H new ATOM 0 HG21 VAL A 89 0.964 0.751 -11.657 1.00 33.42 H new ATOM 0 HG22 VAL A 89 -0.007 0.125 -10.303 1.00 33.42 H new ATOM 0 HG23 VAL A 89 0.390 1.858 -10.387 1.00 33.42 H new ATOM 1401 N ALA A 90 2.365 2.869 -7.328 1.00 40.52 N ATOM 1402 CA ALA A 90 2.189 4.239 -6.929 1.00 21.50 C ATOM 1403 C ALA A 90 3.386 5.047 -7.361 1.00 40.02 C ATOM 1404 O ALA A 90 4.525 4.651 -7.112 1.00 51.40 O ATOM 1405 CB ALA A 90 1.992 4.337 -5.419 1.00 31.54 C ATOM 0 H ALA A 90 3.296 2.498 -7.138 1.00 40.52 H new ATOM 0 HA ALA A 90 1.297 4.639 -7.411 1.00 21.50 H new ATOM 0 HB1 ALA A 90 1.861 5.381 -5.136 1.00 31.54 H new ATOM 0 HB2 ALA A 90 1.108 3.769 -5.130 1.00 31.54 H new ATOM 0 HB3 ALA A 90 2.867 3.931 -4.911 1.00 31.54 H new