USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 855 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 21 ASN : amide:sc= -0.395! C(o=0.62!,f=-12!) USER MOD Set 1.2: A 115 TYR OH : rot 30:sc= 1.01 USER MOD Set 2.1: A 88 HIS : no HE2:sc= -2.5! C(o=-1.9!,f=-17!) USER MOD Set 2.2: A 106 TYR OH : rot 180:sc= 0.579 USER MOD Set 3.1: A 71 HIS : +bothHN:sc= -7.7! C(o=-6.5!,f=-12!) USER MOD Set 3.2: A 73 TYR OH : rot -145:sc= 1.2 USER MOD Set 4.1: A 60 SER OG : rot 167:sc= 0.0513 USER MOD Set 4.2: A 72 HIS : no HD1:sc= -1.85 K(o=-1.8,f=-24!) USER MOD Single : A 5 SER OG : rot 15:sc= 0.761 USER MOD Single : A 8 THR OG1 : rot 15:sc= 0.408 USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.0775 F(o=-0.59,f=-0.078) USER MOD Single : A 16 SER OG : rot -59:sc= 0.823 USER MOD Single : A 17 MET CE :methyl -177:sc= -0.509 (180deg=-0.593) USER MOD Single : A 20 LYS NZ :NH3+ -130:sc= 0.683 (180deg=-0.4!) USER MOD Single : A 22 LYS NZ :NH3+ -156:sc= -0.153 (180deg=-0.882) USER MOD Single : A 26 SER OG : rot 89:sc= 1.14 USER MOD Single : A 29 GLN : amide:sc= -0.925 X(o=-0.93,f=-1.2) USER MOD Single : A 30 CYS SG : rot -109:sc= 0.523 USER MOD Single : A 35 THR OG1 : rot -60:sc= 1.19 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 153:sc= -0.228 (180deg=-1.56!) USER MOD Single : A 43 TYR OH : rot -54:sc= 1.2 USER MOD Single : A 61 THR OG1 : rot -1:sc= -1.43! USER MOD Single : A 62 LYS NZ :NH3+ 159:sc= -0.0482 (180deg=-0.482) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0.72 (180deg=0.555) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -115:sc= -1.28 (180deg=-1.94) USER MOD Single : A 77 HIS : no HD1:sc= -11.7! C(o=-12!,f=-12!) USER MOD Single : A 80 SER OG : rot 88:sc= 0.93 USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= 0.533! (180deg=0.127!) USER MOD Single : A 82 LYS NZ :NH3+ -102:sc= 0.274 (180deg=-2.31!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -136:sc= -4! (180deg=-8.77!) USER MOD Single : A 94 SER OG : rot 101:sc= 1.28 USER MOD Single : A 99 GLN : amide:sc= -2.32! C(o=-2.3!,f=-2.7!) USER MOD Single : A 104 ASN : amide:sc= -4.36! C(o=-4.4!,f=-15!) USER MOD Single : A 105 MET CE :methyl 141:sc= -2.13 (180deg=-6.95!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -162:sc= -0.843 (180deg=-2.17!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 2.064 -2.305 16.219 1.00 0.00 N ATOM 43 CA SER A 5 1.151 -2.270 15.091 1.00 0.00 C ATOM 44 C SER A 5 1.759 -1.512 13.913 1.00 0.00 C ATOM 45 O SER A 5 1.165 -0.570 13.398 1.00 0.00 O ATOM 46 CB SER A 5 -0.146 -1.602 15.553 1.00 0.00 C ATOM 47 OG SER A 5 -0.130 -1.540 16.981 1.00 0.00 O ATOM 0 HA SER A 5 0.950 -3.285 14.748 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.230 -0.601 15.130 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.010 -2.169 15.206 1.00 0.00 H new ATOM 0 HG SER A 5 0.779 -1.709 17.306 1.00 0.00 H new ATOM 53 N GLY A 6 2.954 -1.909 13.505 1.00 0.00 N ATOM 54 CA GLY A 6 3.647 -1.225 12.427 1.00 0.00 C ATOM 55 C GLY A 6 2.817 -1.238 11.161 1.00 0.00 C ATOM 56 O GLY A 6 2.498 -0.189 10.628 1.00 0.00 O ATOM 0 H GLY A 6 3.462 -2.699 13.903 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.857 -0.196 12.719 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.607 -1.707 12.243 1.00 0.00 H new ATOM 60 N ASP A 7 2.357 -2.408 10.753 1.00 0.00 N ATOM 61 CA ASP A 7 1.501 -2.490 9.566 1.00 0.00 C ATOM 62 C ASP A 7 0.309 -1.586 9.733 1.00 0.00 C ATOM 63 O ASP A 7 -0.021 -0.783 8.862 1.00 0.00 O ATOM 64 CB ASP A 7 1.007 -3.925 9.371 1.00 0.00 C ATOM 65 CG ASP A 7 0.635 -4.566 10.702 1.00 0.00 C ATOM 66 OD1 ASP A 7 -0.301 -4.107 11.339 1.00 0.00 O ATOM 67 OD2 ASP A 7 1.297 -5.511 11.072 1.00 0.00 O ATOM 0 H ASP A 7 2.552 -3.300 11.209 1.00 0.00 H new ATOM 0 HA ASP A 7 2.082 -2.182 8.697 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.141 -3.927 8.709 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.782 -4.516 8.884 1.00 0.00 H new ATOM 72 N THR A 8 -0.292 -1.690 10.874 1.00 0.00 N ATOM 73 CA THR A 8 -1.433 -0.909 11.223 1.00 0.00 C ATOM 74 C THR A 8 -1.083 0.576 11.230 1.00 0.00 C ATOM 75 O THR A 8 -1.778 1.396 10.617 1.00 0.00 O ATOM 76 CB THR A 8 -1.917 -1.373 12.592 1.00 0.00 C ATOM 77 OG1 THR A 8 -2.044 -2.800 12.579 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.260 -0.739 12.932 1.00 0.00 C ATOM 0 H THR A 8 0.004 -2.336 11.606 1.00 0.00 H new ATOM 0 HA THR A 8 -2.227 -1.044 10.489 1.00 0.00 H new ATOM 0 HB THR A 8 -1.195 -1.068 13.349 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.580 -3.163 11.795 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.587 -1.084 13.913 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.157 0.346 12.944 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.998 -1.025 12.182 1.00 0.00 H new ATOM 86 N GLN A 9 0.023 0.910 11.871 1.00 0.00 N ATOM 87 CA GLN A 9 0.491 2.284 11.904 1.00 0.00 C ATOM 88 C GLN A 9 0.876 2.731 10.514 1.00 0.00 C ATOM 89 O GLN A 9 0.458 3.782 10.048 1.00 0.00 O ATOM 90 CB GLN A 9 1.734 2.389 12.786 1.00 0.00 C ATOM 91 CG GLN A 9 1.341 2.567 14.247 1.00 0.00 C ATOM 92 CD GLN A 9 1.312 4.053 14.615 1.00 0.00 C ATOM 93 OE1 GLN A 9 1.003 4.940 13.707 1.00 0.00 O flip ATOM 94 NE2 GLN A 9 1.579 4.413 15.766 1.00 0.00 N flip ATOM 0 H GLN A 9 0.614 0.249 12.376 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.311 2.909 12.297 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.343 1.492 12.674 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.346 3.231 12.463 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.361 2.123 14.423 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.049 2.041 14.887 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.820 3.720 16.474 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.558 5.404 16.008 1.00 0.00 H new ATOM 103 N LEU A 10 1.670 1.916 9.857 1.00 0.00 N ATOM 104 CA LEU A 10 2.181 2.242 8.543 1.00 0.00 C ATOM 105 C LEU A 10 1.052 2.364 7.568 1.00 0.00 C ATOM 106 O LEU A 10 1.049 3.241 6.716 1.00 0.00 O ATOM 107 CB LEU A 10 3.173 1.199 8.065 1.00 0.00 C ATOM 108 CG LEU A 10 4.411 1.188 8.976 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.371 0.112 8.509 1.00 0.00 C ATOM 110 CD2 LEU A 10 5.115 2.548 8.966 1.00 0.00 C ATOM 0 H LEU A 10 1.979 1.012 10.215 1.00 0.00 H new ATOM 0 HA LEU A 10 2.702 3.197 8.610 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.705 0.215 8.063 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.470 1.412 7.038 1.00 0.00 H new ATOM 0 HG LEU A 10 4.088 0.980 9.996 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.249 0.103 9.154 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.878 -0.859 8.553 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.677 0.317 7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.987 2.511 9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.432 2.786 7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.428 3.316 9.321 1.00 0.00 H new ATOM 122 N PHE A 11 0.072 1.510 7.726 1.00 0.00 N ATOM 123 CA PHE A 11 -1.116 1.552 6.900 1.00 0.00 C ATOM 124 C PHE A 11 -1.749 2.927 6.978 1.00 0.00 C ATOM 125 O PHE A 11 -2.004 3.564 5.951 1.00 0.00 O ATOM 126 CB PHE A 11 -2.102 0.509 7.406 1.00 0.00 C ATOM 127 CG PHE A 11 -3.449 0.720 6.765 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.711 0.219 5.490 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.437 1.433 7.460 1.00 0.00 C ATOM 130 CE1 PHE A 11 -4.962 0.427 4.913 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.681 1.641 6.880 1.00 0.00 C ATOM 132 CZ PHE A 11 -5.947 1.139 5.613 1.00 0.00 C ATOM 0 H PHE A 11 0.071 0.768 8.426 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.850 1.343 5.864 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.734 -0.492 7.178 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.191 0.577 8.490 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.949 -0.327 4.953 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.230 1.820 8.447 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.173 0.040 3.927 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.441 2.193 7.414 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.917 1.298 5.165 1.00 0.00 H new ATOM 142 N ASN A 12 -1.892 3.437 8.195 1.00 0.00 N ATOM 143 CA ASN A 12 -2.427 4.777 8.390 1.00 0.00 C ATOM 144 C ASN A 12 -1.524 5.767 7.700 1.00 0.00 C ATOM 145 O ASN A 12 -1.981 6.731 7.078 1.00 0.00 O ATOM 146 CB ASN A 12 -2.461 5.117 9.884 1.00 0.00 C ATOM 147 CG ASN A 12 -3.510 4.289 10.598 1.00 0.00 C ATOM 148 OD1 ASN A 12 -3.161 3.559 11.614 1.00 0.00 O flip ATOM 149 ND2 ASN A 12 -4.677 4.299 10.215 1.00 0.00 N flip ATOM 0 H ASN A 12 -1.647 2.947 9.055 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.436 4.822 7.981 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.482 4.933 10.326 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.676 6.177 10.016 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.947 4.874 9.417 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.376 3.733 10.695 1.00 0.00 H new ATOM 156 N ARG A 13 -0.227 5.557 7.848 1.00 0.00 N ATOM 157 CA ARG A 13 0.735 6.451 7.245 1.00 0.00 C ATOM 158 C ARG A 13 0.670 6.317 5.724 1.00 0.00 C ATOM 159 O ARG A 13 0.548 7.305 5.009 1.00 0.00 O ATOM 160 CB ARG A 13 2.150 6.114 7.741 1.00 0.00 C ATOM 161 CG ARG A 13 2.186 6.223 9.278 1.00 0.00 C ATOM 162 CD ARG A 13 3.596 5.987 9.805 1.00 0.00 C ATOM 163 NE ARG A 13 4.356 7.233 9.672 1.00 0.00 N ATOM 164 CZ ARG A 13 5.631 7.349 10.036 1.00 0.00 C ATOM 165 NH1 ARG A 13 6.278 6.322 10.493 1.00 0.00 N ATOM 166 NH2 ARG A 13 6.225 8.497 9.928 1.00 0.00 N ATOM 0 H ARG A 13 0.177 4.783 8.375 1.00 0.00 H new ATOM 0 HA ARG A 13 0.499 7.477 7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.428 5.107 7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.876 6.796 7.299 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.839 7.209 9.585 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.503 5.494 9.715 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.563 5.673 10.848 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.080 5.186 9.246 1.00 0.00 H new ATOM 0 HE ARG A 13 3.886 8.050 9.282 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.810 5.419 10.575 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.255 6.417 10.770 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.715 9.303 9.566 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.202 8.594 10.205 1.00 0.00 H new ATOM 180 N ALA A 14 0.685 5.076 5.248 1.00 0.00 N ATOM 181 CA ALA A 14 0.639 4.777 3.815 1.00 0.00 C ATOM 182 C ALA A 14 -0.670 5.211 3.174 1.00 0.00 C ATOM 183 O ALA A 14 -0.668 5.839 2.111 1.00 0.00 O ATOM 184 CB ALA A 14 0.876 3.282 3.571 1.00 0.00 C ATOM 0 H ALA A 14 0.729 4.248 5.842 1.00 0.00 H new ATOM 0 HA ALA A 14 1.437 5.351 3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.838 3.078 2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.854 3.000 3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.104 2.704 4.078 1.00 0.00 H new ATOM 190 N VAL A 15 -1.780 4.854 3.798 1.00 0.00 N ATOM 191 CA VAL A 15 -3.088 5.161 3.241 1.00 0.00 C ATOM 192 C VAL A 15 -3.276 6.668 3.129 1.00 0.00 C ATOM 193 O VAL A 15 -3.777 7.176 2.127 1.00 0.00 O ATOM 194 CB VAL A 15 -4.209 4.506 4.086 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.647 5.420 5.240 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.416 4.184 3.196 1.00 0.00 C ATOM 0 H VAL A 15 -1.803 4.354 4.687 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.149 4.743 2.236 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.812 3.585 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.435 4.931 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.795 5.619 5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.023 6.360 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.199 3.724 3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.794 5.104 2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.113 3.496 2.407 1.00 0.00 H new ATOM 206 N SER A 16 -2.801 7.393 4.122 1.00 0.00 N ATOM 207 CA SER A 16 -2.926 8.826 4.103 1.00 0.00 C ATOM 208 C SER A 16 -2.248 9.382 2.867 1.00 0.00 C ATOM 209 O SER A 16 -2.757 10.309 2.218 1.00 0.00 O ATOM 210 CB SER A 16 -2.279 9.422 5.361 1.00 0.00 C ATOM 211 OG SER A 16 -0.847 9.316 5.274 1.00 0.00 O ATOM 0 H SER A 16 -2.330 7.012 4.943 1.00 0.00 H new ATOM 0 HA SER A 16 -3.983 9.092 4.084 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.569 10.467 5.469 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.638 8.899 6.247 1.00 0.00 H new ATOM 0 HG SER A 16 -0.593 8.373 5.188 1.00 0.00 H new ATOM 217 N MET A 17 -1.060 8.882 2.602 1.00 0.00 N ATOM 218 CA MET A 17 -0.272 9.385 1.511 1.00 0.00 C ATOM 219 C MET A 17 -0.909 9.040 0.165 1.00 0.00 C ATOM 220 O MET A 17 -0.946 9.867 -0.744 1.00 0.00 O ATOM 221 CB MET A 17 1.156 8.839 1.582 1.00 0.00 C ATOM 222 CG MET A 17 1.822 9.307 2.888 1.00 0.00 C ATOM 223 SD MET A 17 3.595 8.897 2.865 1.00 0.00 S ATOM 224 CE MET A 17 3.450 7.124 3.197 1.00 0.00 C ATOM 0 H MET A 17 -0.623 8.127 3.131 1.00 0.00 H new ATOM 0 HA MET A 17 -0.235 10.471 1.598 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.143 7.750 1.539 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.732 9.185 0.724 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.691 10.382 3.008 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.341 8.830 3.742 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.445 6.686 3.277 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.910 6.972 4.132 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.907 6.645 2.383 1.00 0.00 H new ATOM 234 N VAL A 18 -1.371 7.793 0.029 1.00 0.00 N ATOM 235 CA VAL A 18 -1.940 7.337 -1.233 1.00 0.00 C ATOM 236 C VAL A 18 -3.309 7.923 -1.527 1.00 0.00 C ATOM 237 O VAL A 18 -3.587 8.304 -2.659 1.00 0.00 O ATOM 238 CB VAL A 18 -1.967 5.805 -1.346 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.542 5.253 -1.307 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.777 5.186 -0.205 1.00 0.00 C ATOM 0 H VAL A 18 -1.361 7.092 0.770 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.264 7.718 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.439 5.545 -2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.570 4.166 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.030 5.664 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.068 5.535 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.781 4.101 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.327 5.458 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.801 5.557 -0.243 1.00 0.00 H new ATOM 250 N GLU A 19 -4.177 7.983 -0.521 1.00 0.00 N ATOM 251 CA GLU A 19 -5.527 8.458 -0.763 1.00 0.00 C ATOM 252 C GLU A 19 -5.464 9.884 -1.252 1.00 0.00 C ATOM 253 O GLU A 19 -6.355 10.350 -1.955 1.00 0.00 O ATOM 254 CB GLU A 19 -6.349 8.473 0.523 1.00 0.00 C ATOM 255 CG GLU A 19 -6.612 7.082 1.097 1.00 0.00 C ATOM 256 CD GLU A 19 -7.375 7.248 2.418 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.639 8.389 2.799 1.00 0.00 O ATOM 258 OE2 GLU A 19 -7.695 6.257 3.030 1.00 0.00 O ATOM 0 H GLU A 19 -3.974 7.716 0.442 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.988 7.791 -1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.829 9.073 1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.303 8.963 0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.193 6.484 0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.672 6.555 1.264 1.00 0.00 H new ATOM 265 N LYS A 20 -4.543 10.631 -0.674 1.00 0.00 N ATOM 266 CA LYS A 20 -4.497 12.064 -0.873 1.00 0.00 C ATOM 267 C LYS A 20 -3.505 12.457 -1.965 1.00 0.00 C ATOM 268 O LYS A 20 -3.378 13.636 -2.299 1.00 0.00 O ATOM 269 CB LYS A 20 -4.184 12.763 0.453 1.00 0.00 C ATOM 270 CG LYS A 20 -5.179 12.272 1.526 1.00 0.00 C ATOM 271 CD LYS A 20 -6.620 12.669 1.141 1.00 0.00 C ATOM 272 CE LYS A 20 -7.546 11.440 1.192 1.00 0.00 C ATOM 273 NZ LYS A 20 -7.579 10.846 2.561 1.00 0.00 N ATOM 0 H LYS A 20 -3.814 10.266 -0.061 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.478 12.393 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.161 12.546 0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.259 13.844 0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.108 11.189 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.922 12.702 2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.987 13.437 1.822 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.630 13.099 0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.554 11.728 0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.203 10.693 0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.409 9.822 2.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.841 11.285 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.510 11.017 2.991 1.00 0.00 H new ATOM 287 N ASN A 21 -2.857 11.468 -2.556 1.00 0.00 N ATOM 288 CA ASN A 21 -1.919 11.716 -3.654 1.00 0.00 C ATOM 289 C ASN A 21 -2.694 11.985 -4.938 1.00 0.00 C ATOM 290 O ASN A 21 -3.468 11.148 -5.385 1.00 0.00 O ATOM 291 CB ASN A 21 -0.984 10.513 -3.840 1.00 0.00 C ATOM 292 CG ASN A 21 -0.216 10.614 -5.164 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.824 10.696 -6.232 1.00 0.00 O ATOM 294 ND2 ASN A 21 1.081 10.622 -5.162 1.00 0.00 N ATOM 0 H ASN A 21 -2.958 10.486 -2.300 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.312 12.589 -3.413 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.280 10.463 -3.010 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.564 9.590 -3.821 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.592 10.696 -6.042 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.590 10.554 -4.281 1.00 0.00 H new ATOM 301 N LYS A 22 -2.540 13.183 -5.480 1.00 0.00 N ATOM 302 CA LYS A 22 -3.320 13.610 -6.643 1.00 0.00 C ATOM 303 C LYS A 22 -3.261 12.608 -7.799 1.00 0.00 C ATOM 304 O LYS A 22 -4.289 12.294 -8.416 1.00 0.00 O ATOM 305 CB LYS A 22 -2.891 15.022 -7.106 1.00 0.00 C ATOM 306 CG LYS A 22 -1.582 14.987 -7.938 1.00 0.00 C ATOM 307 CD LYS A 22 -0.365 14.652 -7.051 1.00 0.00 C ATOM 308 CE LYS A 22 0.027 15.868 -6.194 1.00 0.00 C ATOM 309 NZ LYS A 22 0.372 17.013 -7.072 1.00 0.00 N ATOM 0 H LYS A 22 -1.882 13.882 -5.136 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.361 13.651 -6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.688 15.466 -7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.750 15.662 -6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.672 14.245 -8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.429 15.952 -8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.600 13.805 -6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.477 14.353 -7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.797 16.140 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.876 15.617 -5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.001 17.665 -6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.854 16.664 -7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.497 17.514 -7.347 1.00 0.00 H new ATOM 323 N ASP A 23 -2.081 12.109 -8.104 1.00 0.00 N ATOM 324 CA ASP A 23 -1.957 11.155 -9.194 1.00 0.00 C ATOM 325 C ASP A 23 -2.668 9.861 -8.828 1.00 0.00 C ATOM 326 O ASP A 23 -3.518 9.368 -9.572 1.00 0.00 O ATOM 327 CB ASP A 23 -0.483 10.892 -9.538 1.00 0.00 C ATOM 328 CG ASP A 23 -0.355 10.243 -10.919 1.00 0.00 C ATOM 329 OD1 ASP A 23 -1.251 9.542 -11.316 1.00 0.00 O ATOM 330 OD2 ASP A 23 0.645 10.478 -11.568 1.00 0.00 O ATOM 0 H ASP A 23 -1.210 12.339 -7.626 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.428 11.578 -10.081 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.073 11.830 -9.519 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.039 10.243 -8.783 1.00 0.00 H new ATOM 335 N ILE A 24 -2.439 9.410 -7.609 1.00 0.00 N ATOM 336 CA ILE A 24 -3.123 8.242 -7.094 1.00 0.00 C ATOM 337 C ILE A 24 -4.607 8.506 -7.020 1.00 0.00 C ATOM 338 O ILE A 24 -5.415 7.687 -7.450 1.00 0.00 O ATOM 339 CB ILE A 24 -2.576 7.855 -5.725 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.136 7.376 -5.882 1.00 0.00 C ATOM 341 CG2 ILE A 24 -3.415 6.725 -5.140 1.00 0.00 C ATOM 342 CD1 ILE A 24 -0.487 7.205 -4.505 1.00 0.00 C ATOM 0 H ILE A 24 -1.782 9.837 -6.956 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.948 7.407 -7.773 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.613 8.718 -5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.116 6.430 -6.423 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.568 8.094 -6.474 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.022 6.450 -4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.449 7.055 -5.037 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.375 5.861 -5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.541 6.863 -4.627 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.491 8.160 -3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.048 6.470 -3.927 1.00 0.00 H new ATOM 354 N ARG A 25 -4.972 9.681 -6.544 1.00 0.00 N ATOM 355 CA ARG A 25 -6.366 10.039 -6.498 1.00 0.00 C ATOM 356 C ARG A 25 -6.965 9.893 -7.867 1.00 0.00 C ATOM 357 O ARG A 25 -8.048 9.342 -8.034 1.00 0.00 O ATOM 358 CB ARG A 25 -6.558 11.488 -6.049 1.00 0.00 C ATOM 359 CG ARG A 25 -6.397 11.631 -4.536 1.00 0.00 C ATOM 360 CD ARG A 25 -6.669 13.085 -4.172 1.00 0.00 C ATOM 361 NE ARG A 25 -8.056 13.408 -4.538 1.00 0.00 N ATOM 362 CZ ARG A 25 -8.410 14.576 -5.080 1.00 0.00 C ATOM 363 NH1 ARG A 25 -7.536 15.531 -5.194 1.00 0.00 N ATOM 364 NH2 ARG A 25 -9.643 14.766 -5.478 1.00 0.00 N ATOM 0 H ARG A 25 -4.330 10.390 -6.190 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.854 9.377 -5.783 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.833 12.126 -6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.548 11.834 -6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.090 10.971 -4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.391 11.343 -4.230 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.512 13.244 -3.105 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.976 13.743 -4.697 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.780 12.709 -4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.580 15.388 -4.869 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.806 16.423 -5.608 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.333 14.022 -5.374 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.914 15.658 -5.892 1.00 0.00 H new ATOM 378 N SER A 26 -6.236 10.360 -8.846 1.00 0.00 N ATOM 379 CA SER A 26 -6.653 10.239 -10.221 1.00 0.00 C ATOM 380 C SER A 26 -6.753 8.758 -10.598 1.00 0.00 C ATOM 381 O SER A 26 -7.737 8.327 -11.201 1.00 0.00 O ATOM 382 CB SER A 26 -5.643 10.974 -11.088 1.00 0.00 C ATOM 383 OG SER A 26 -5.479 12.298 -10.564 1.00 0.00 O ATOM 0 H SER A 26 -5.341 10.833 -8.716 1.00 0.00 H new ATOM 0 HA SER A 26 -7.637 10.682 -10.373 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.689 10.446 -11.091 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.988 11.015 -12.121 1.00 0.00 H new ATOM 0 HG SER A 26 -4.764 12.298 -9.893 1.00 0.00 H new ATOM 389 N LEU A 27 -5.793 7.964 -10.140 1.00 0.00 N ATOM 390 CA LEU A 27 -5.845 6.511 -10.334 1.00 0.00 C ATOM 391 C LEU A 27 -7.051 5.950 -9.595 1.00 0.00 C ATOM 392 O LEU A 27 -7.767 5.096 -10.103 1.00 0.00 O ATOM 393 CB LEU A 27 -4.576 5.842 -9.800 1.00 0.00 C ATOM 394 CG LEU A 27 -3.353 6.293 -10.616 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.078 5.759 -9.969 1.00 0.00 C ATOM 396 CD2 LEU A 27 -3.439 5.779 -12.064 1.00 0.00 C ATOM 0 H LEU A 27 -4.971 8.294 -9.634 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.924 6.307 -11.402 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.436 6.098 -8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.678 4.758 -9.853 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.335 7.383 -10.631 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.213 6.080 -10.550 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.997 6.145 -8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.112 4.670 -9.942 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.563 6.111 -12.621 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.476 4.690 -12.062 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.339 6.172 -12.537 1.00 0.00 H new ATOM 408 N LEU A 28 -7.285 6.471 -8.404 1.00 0.00 N ATOM 409 CA LEU A 28 -8.420 6.057 -7.593 1.00 0.00 C ATOM 410 C LEU A 28 -9.683 6.715 -8.110 1.00 0.00 C ATOM 411 O LEU A 28 -10.781 6.469 -7.593 1.00 0.00 O ATOM 412 CB LEU A 28 -8.213 6.455 -6.119 1.00 0.00 C ATOM 413 CG LEU A 28 -7.021 5.704 -5.503 1.00 0.00 C ATOM 414 CD1 LEU A 28 -6.789 6.214 -4.074 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.316 4.200 -5.453 1.00 0.00 C ATOM 0 H LEU A 28 -6.700 7.187 -7.973 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.510 4.973 -7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.044 7.530 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.117 6.237 -5.550 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.135 5.878 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.945 5.685 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.575 7.282 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.682 6.037 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.466 3.677 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.203 4.023 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.489 3.829 -6.463 1.00 0.00 H new ATOM 427 N GLN A 29 -9.510 7.616 -9.072 1.00 0.00 N ATOM 428 CA GLN A 29 -10.606 8.410 -9.589 1.00 0.00 C ATOM 429 C GLN A 29 -11.249 9.165 -8.444 1.00 0.00 C ATOM 430 O GLN A 29 -12.460 9.098 -8.229 1.00 0.00 O ATOM 431 CB GLN A 29 -11.638 7.533 -10.314 1.00 0.00 C ATOM 432 CG GLN A 29 -10.984 6.852 -11.519 1.00 0.00 C ATOM 433 CD GLN A 29 -10.489 7.889 -12.518 1.00 0.00 C ATOM 434 OE1 GLN A 29 -11.102 8.949 -12.672 1.00 0.00 O ATOM 435 NE2 GLN A 29 -9.427 7.646 -13.214 1.00 0.00 N ATOM 0 H GLN A 29 -8.609 7.811 -9.509 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.218 9.119 -10.321 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.034 6.782 -9.631 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.480 8.142 -10.642 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.151 6.233 -11.186 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.701 6.188 -12.001 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.922 6.769 -13.085 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.094 8.331 -13.892 1.00 0.00 H new ATOM 444 N CYS A 30 -10.409 9.798 -7.645 1.00 0.00 N ATOM 445 CA CYS A 30 -10.856 10.502 -6.457 1.00 0.00 C ATOM 446 C CYS A 30 -11.770 11.670 -6.821 1.00 0.00 C ATOM 447 O CYS A 30 -11.414 12.848 -6.651 1.00 0.00 O ATOM 448 CB CYS A 30 -9.662 10.969 -5.623 1.00 0.00 C ATOM 449 SG CYS A 30 -10.042 10.789 -3.859 1.00 0.00 S ATOM 0 H CYS A 30 -9.402 9.839 -7.800 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.437 9.808 -5.850 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.778 10.384 -5.876 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.431 12.010 -5.851 1.00 0.00 H new ATOM 0 HG CYS A 30 -10.202 11.965 -3.327 1.00 0.00 H new ATOM 455 N ASP A 31 -12.919 11.336 -7.394 1.00 0.00 N ATOM 456 CA ASP A 31 -13.886 12.327 -7.838 1.00 0.00 C ATOM 457 C ASP A 31 -14.868 12.644 -6.723 1.00 0.00 C ATOM 458 O ASP A 31 -15.766 11.849 -6.427 1.00 0.00 O ATOM 459 CB ASP A 31 -14.677 11.805 -9.049 1.00 0.00 C ATOM 460 CG ASP A 31 -13.756 11.461 -10.205 1.00 0.00 C ATOM 461 OD1 ASP A 31 -13.023 12.335 -10.639 1.00 0.00 O ATOM 462 OD2 ASP A 31 -13.811 10.335 -10.660 1.00 0.00 O ATOM 0 H ASP A 31 -13.205 10.372 -7.563 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.337 13.226 -8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.247 10.922 -8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.397 12.559 -9.367 1.00 0.00 H new ATOM 467 N ASP A 32 -14.767 13.845 -6.189 1.00 0.00 N ATOM 468 CA ASP A 32 -15.725 14.339 -5.206 1.00 0.00 C ATOM 469 C ASP A 32 -16.698 15.302 -5.853 1.00 0.00 C ATOM 470 O ASP A 32 -16.313 16.418 -6.217 1.00 0.00 O ATOM 471 CB ASP A 32 -15.005 15.048 -4.039 1.00 0.00 C ATOM 472 CG ASP A 32 -14.528 14.056 -2.987 1.00 0.00 C ATOM 473 OD1 ASP A 32 -15.034 12.950 -2.950 1.00 0.00 O ATOM 474 OD2 ASP A 32 -13.668 14.417 -2.228 1.00 0.00 O ATOM 0 H ASP A 32 -14.025 14.506 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.270 13.480 -4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.153 15.609 -4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.680 15.770 -3.579 1.00 0.00 H new ATOM 479 N GLY A 33 -17.968 14.911 -5.928 1.00 0.00 N ATOM 480 CA GLY A 33 -19.010 15.792 -6.454 1.00 0.00 C ATOM 481 C GLY A 33 -19.639 15.251 -7.723 1.00 0.00 C ATOM 482 O GLY A 33 -20.816 15.498 -7.984 1.00 0.00 O ATOM 0 H GLY A 33 -18.301 13.993 -5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.783 15.927 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.584 16.775 -6.654 1.00 0.00 H new ATOM 486 N ILE A 34 -18.879 14.494 -8.503 1.00 0.00 N ATOM 487 CA ILE A 34 -19.404 13.958 -9.765 1.00 0.00 C ATOM 488 C ILE A 34 -20.571 13.022 -9.510 1.00 0.00 C ATOM 489 O ILE A 34 -21.622 13.140 -10.140 1.00 0.00 O ATOM 490 CB ILE A 34 -18.290 13.255 -10.564 1.00 0.00 C ATOM 491 CG1 ILE A 34 -18.817 12.817 -11.937 1.00 0.00 C ATOM 492 CG2 ILE A 34 -17.776 12.032 -9.808 1.00 0.00 C ATOM 493 CD1 ILE A 34 -19.224 14.038 -12.763 1.00 0.00 C ATOM 0 H ILE A 34 -17.914 14.237 -8.296 1.00 0.00 H new ATOM 0 HA ILE A 34 -19.771 14.791 -10.364 1.00 0.00 H new ATOM 0 HB ILE A 34 -17.471 13.962 -10.697 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -18.049 12.251 -12.465 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -19.672 12.153 -11.811 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.990 11.549 -10.389 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -17.376 12.343 -8.843 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -18.595 11.330 -9.652 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -19.596 13.713 -13.735 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.007 14.587 -12.240 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -18.359 14.686 -12.904 1.00 0.00 H new ATOM 505 N THR A 35 -20.425 12.207 -8.501 1.00 0.00 N ATOM 506 CA THR A 35 -21.492 11.359 -8.028 1.00 0.00 C ATOM 507 C THR A 35 -21.650 11.615 -6.540 1.00 0.00 C ATOM 508 O THR A 35 -21.609 10.687 -5.721 1.00 0.00 O ATOM 509 CB THR A 35 -21.186 9.865 -8.346 1.00 0.00 C ATOM 510 OG1 THR A 35 -21.961 9.004 -7.521 1.00 0.00 O ATOM 511 CG2 THR A 35 -19.691 9.560 -8.147 1.00 0.00 C ATOM 0 H THR A 35 -19.555 12.110 -7.977 1.00 0.00 H new ATOM 0 HA THR A 35 -22.430 11.588 -8.533 1.00 0.00 H new ATOM 0 HB THR A 35 -21.449 9.688 -9.389 1.00 0.00 H new ATOM 0 HG1 THR A 35 -21.749 9.175 -6.580 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.500 8.511 -8.375 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.100 10.189 -8.812 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.413 9.763 -7.113 1.00 0.00 H new ATOM 519 N GLY A 36 -21.614 12.897 -6.191 1.00 0.00 N ATOM 520 CA GLY A 36 -21.522 13.306 -4.814 1.00 0.00 C ATOM 521 C GLY A 36 -20.091 13.147 -4.386 1.00 0.00 C ATOM 522 O GLY A 36 -19.211 12.923 -5.235 1.00 0.00 O ATOM 0 H GLY A 36 -21.648 13.669 -6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -21.843 14.342 -4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -22.178 12.699 -4.190 1.00 0.00 H new ATOM 526 N LYS A 37 -19.843 13.145 -3.103 1.00 0.00 N ATOM 527 CA LYS A 37 -18.517 12.842 -2.643 1.00 0.00 C ATOM 528 C LYS A 37 -18.520 11.431 -2.132 1.00 0.00 C ATOM 529 O LYS A 37 -19.252 11.109 -1.193 1.00 0.00 O ATOM 530 CB LYS A 37 -18.116 13.796 -1.524 1.00 0.00 C ATOM 531 CG LYS A 37 -17.915 15.217 -2.090 1.00 0.00 C ATOM 532 CD LYS A 37 -19.263 15.930 -2.309 1.00 0.00 C ATOM 533 CE LYS A 37 -19.886 16.310 -0.962 1.00 0.00 C ATOM 534 NZ LYS A 37 -19.279 17.566 -0.470 1.00 0.00 N ATOM 0 H LYS A 37 -20.526 13.345 -2.373 1.00 0.00 H new ATOM 0 HA LYS A 37 -17.802 12.954 -3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.886 13.808 -0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.196 13.450 -1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.300 15.800 -1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.373 15.161 -3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.115 16.824 -2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.941 15.279 -2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.964 16.433 -1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.728 15.510 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.703 17.822 0.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.254 17.433 -0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.452 18.327 -1.157 1.00 0.00 H new ATOM 548 N GLU A 38 -17.728 10.597 -2.747 1.00 0.00 N ATOM 549 CA GLU A 38 -17.645 9.208 -2.360 1.00 0.00 C ATOM 550 C GLU A 38 -16.643 8.949 -1.272 1.00 0.00 C ATOM 551 O GLU A 38 -15.650 9.667 -1.130 1.00 0.00 O ATOM 552 CB GLU A 38 -17.469 8.278 -3.552 1.00 0.00 C ATOM 553 CG GLU A 38 -18.815 8.112 -4.258 1.00 0.00 C ATOM 554 CD GLU A 38 -19.812 7.415 -3.340 1.00 0.00 C ATOM 555 OE1 GLU A 38 -19.390 6.758 -2.412 1.00 0.00 O ATOM 556 OE2 GLU A 38 -20.986 7.556 -3.560 1.00 0.00 O ATOM 0 H GLU A 38 -17.123 10.855 -3.527 1.00 0.00 H new ATOM 0 HA GLU A 38 -18.615 8.970 -1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.730 8.686 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.095 7.309 -3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -19.202 9.088 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.685 7.532 -5.172 1.00 0.00 H new ATOM 563 N ARG A 39 -16.924 7.936 -0.494 1.00 0.00 N ATOM 564 CA ARG A 39 -16.108 7.579 0.646 1.00 0.00 C ATOM 565 C ARG A 39 -15.259 6.375 0.308 1.00 0.00 C ATOM 566 O ARG A 39 -15.774 5.353 -0.139 1.00 0.00 O ATOM 567 CB ARG A 39 -17.023 7.242 1.824 1.00 0.00 C ATOM 568 CG ARG A 39 -18.312 8.076 1.704 1.00 0.00 C ATOM 569 CD ARG A 39 -19.412 7.188 1.115 1.00 0.00 C ATOM 570 NE ARG A 39 -19.942 7.712 -0.158 1.00 0.00 N ATOM 571 CZ ARG A 39 -20.745 8.779 -0.222 1.00 0.00 C ATOM 572 NH1 ARG A 39 -21.004 9.466 0.854 1.00 0.00 N ATOM 573 NH2 ARG A 39 -21.272 9.136 -1.365 1.00 0.00 N ATOM 0 H ARG A 39 -17.732 7.328 -0.632 1.00 0.00 H new ATOM 0 HA ARG A 39 -15.457 8.413 0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -17.260 6.178 1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.520 7.458 2.767 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -18.612 8.452 2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -18.144 8.944 1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -19.017 6.185 0.955 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -20.226 7.099 1.834 1.00 0.00 H new ATOM 0 HE ARG A 39 -19.685 7.241 -1.025 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -20.594 9.190 1.746 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -21.617 10.280 0.804 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -21.070 8.600 -2.209 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -21.884 9.950 -1.412 1.00 0.00 H new ATOM 587 N LEU A 40 -13.972 6.510 0.501 1.00 0.00 N ATOM 588 CA LEU A 40 -13.033 5.444 0.195 1.00 0.00 C ATOM 589 C LEU A 40 -12.867 4.537 1.388 1.00 0.00 C ATOM 590 O LEU A 40 -13.012 4.969 2.549 1.00 0.00 O ATOM 591 CB LEU A 40 -11.666 6.015 -0.213 1.00 0.00 C ATOM 592 CG LEU A 40 -11.809 6.870 -1.482 1.00 0.00 C ATOM 593 CD1 LEU A 40 -12.559 8.163 -1.151 1.00 0.00 C ATOM 594 CD2 LEU A 40 -10.417 7.211 -2.025 1.00 0.00 C ATOM 0 H LEU A 40 -13.540 7.356 0.873 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.435 4.872 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.259 6.619 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.962 5.202 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.368 6.312 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.659 8.767 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.549 7.921 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.004 8.723 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.516 7.817 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.859 7.768 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.884 6.291 -2.264 1.00 0.00 H new ATOM 606 N LYS A 41 -12.540 3.293 1.125 1.00 0.00 N ATOM 607 CA LYS A 41 -12.257 2.341 2.180 1.00 0.00 C ATOM 608 C LYS A 41 -10.943 1.658 1.897 1.00 0.00 C ATOM 609 O LYS A 41 -10.658 1.333 0.760 1.00 0.00 O ATOM 610 CB LYS A 41 -13.391 1.317 2.321 1.00 0.00 C ATOM 611 CG LYS A 41 -14.561 1.956 3.086 1.00 0.00 C ATOM 612 CD LYS A 41 -14.391 1.719 4.599 1.00 0.00 C ATOM 613 CE LYS A 41 -13.487 2.799 5.221 1.00 0.00 C ATOM 614 NZ LYS A 41 -13.840 4.144 4.675 1.00 0.00 N ATOM 0 H LYS A 41 -12.462 2.912 0.182 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.185 2.874 3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.722 0.987 1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.035 0.433 2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.601 3.025 2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.505 1.530 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.366 1.730 5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.959 0.733 4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.599 2.798 6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.442 2.575 5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.594 4.877 5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.312 4.311 3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.861 4.182 4.479 1.00 0.00 H new ATOM 628 N ALA A 42 -10.153 1.437 2.931 1.00 0.00 N ATOM 629 CA ALA A 42 -8.868 0.778 2.775 1.00 0.00 C ATOM 630 C ALA A 42 -8.717 -0.318 3.805 1.00 0.00 C ATOM 631 O ALA A 42 -9.002 -0.102 4.986 1.00 0.00 O ATOM 632 CB ALA A 42 -7.720 1.791 2.902 1.00 0.00 C ATOM 0 H ALA A 42 -10.378 1.704 3.889 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.825 0.335 1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.766 1.277 2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.821 2.554 2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.757 2.262 3.884 1.00 0.00 H new ATOM 638 N TYR A 43 -8.367 -1.502 3.355 1.00 0.00 N ATOM 639 CA TYR A 43 -8.263 -2.655 4.236 1.00 0.00 C ATOM 640 C TYR A 43 -7.323 -3.709 3.671 1.00 0.00 C ATOM 641 O TYR A 43 -6.845 -3.589 2.534 1.00 0.00 O ATOM 642 CB TYR A 43 -9.644 -3.245 4.538 1.00 0.00 C ATOM 643 CG TYR A 43 -10.392 -3.474 3.250 1.00 0.00 C ATOM 644 CD1 TYR A 43 -11.183 -2.458 2.703 1.00 0.00 C ATOM 645 CD2 TYR A 43 -10.293 -4.701 2.609 1.00 0.00 C ATOM 646 CE1 TYR A 43 -11.873 -2.683 1.511 1.00 0.00 C ATOM 647 CE2 TYR A 43 -10.975 -4.926 1.427 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.770 -3.920 0.870 1.00 0.00 C ATOM 649 OH TYR A 43 -12.456 -4.156 -0.303 1.00 0.00 O ATOM 0 H TYR A 43 -8.147 -1.697 2.378 1.00 0.00 H new ATOM 0 HA TYR A 43 -7.835 -2.310 5.177 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.538 -4.185 5.080 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.207 -2.568 5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.259 -1.503 3.201 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.681 -5.483 3.035 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -12.486 -1.902 1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -10.893 -5.883 0.932 1.00 0.00 H new ATOM 0 HH TYR A 43 -13.407 -3.958 -0.172 1.00 0.00 H new ATOM 659 N GLY A 44 -7.031 -4.723 4.467 1.00 0.00 N ATOM 660 CA GLY A 44 -6.156 -5.784 4.048 1.00 0.00 C ATOM 661 C GLY A 44 -6.736 -6.472 2.832 1.00 0.00 C ATOM 662 O GLY A 44 -7.932 -6.456 2.607 1.00 0.00 O ATOM 0 H GLY A 44 -7.395 -4.826 5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.169 -5.384 3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.026 -6.503 4.857 1.00 0.00 H new ATOM 666 N GLU A 45 -5.878 -7.020 2.033 1.00 0.00 N ATOM 667 CA GLU A 45 -6.273 -7.649 0.799 1.00 0.00 C ATOM 668 C GLU A 45 -7.513 -8.544 0.979 1.00 0.00 C ATOM 669 O GLU A 45 -7.582 -9.338 1.922 1.00 0.00 O ATOM 670 CB GLU A 45 -5.126 -8.511 0.299 1.00 0.00 C ATOM 671 CG GLU A 45 -3.914 -7.655 -0.129 1.00 0.00 C ATOM 672 CD GLU A 45 -2.975 -8.490 -0.970 1.00 0.00 C ATOM 673 OE1 GLU A 45 -3.407 -8.960 -1.998 1.00 0.00 O ATOM 674 OE2 GLU A 45 -1.836 -8.650 -0.599 1.00 0.00 O ATOM 0 H GLU A 45 -4.874 -7.048 2.213 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.520 -6.862 0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.823 -9.205 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.463 -9.112 -0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.251 -6.787 -0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.393 -7.279 0.751 1.00 0.00 H new ATOM 881 N PRO A 57 -4.951 -9.743 6.751 1.00 0.00 N ATOM 882 CA PRO A 57 -5.292 -8.299 6.865 1.00 0.00 C ATOM 883 C PRO A 57 -4.062 -7.414 6.786 1.00 0.00 C ATOM 884 O PRO A 57 -2.952 -7.896 6.581 1.00 0.00 O ATOM 885 CB PRO A 57 -5.976 -8.159 8.232 1.00 0.00 C ATOM 886 CG PRO A 57 -6.083 -9.549 8.790 1.00 0.00 C ATOM 887 CD PRO A 57 -5.811 -10.524 7.638 1.00 0.00 C ATOM 0 HA PRO A 57 -5.933 -7.980 6.043 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.395 -7.517 8.894 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.961 -7.703 8.130 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.364 -9.696 9.596 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.074 -9.719 9.212 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.317 -11.432 7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.732 -10.831 7.142 1.00 0.00 H new ATOM 895 N ILE A 58 -4.275 -6.111 6.896 1.00 0.00 N ATOM 896 CA ILE A 58 -3.195 -5.141 6.825 1.00 0.00 C ATOM 897 C ILE A 58 -2.076 -5.522 7.798 1.00 0.00 C ATOM 898 O ILE A 58 -2.042 -5.054 8.950 1.00 0.00 O ATOM 899 CB ILE A 58 -3.744 -3.752 7.186 1.00 0.00 C ATOM 900 CG1 ILE A 58 -4.801 -3.330 6.174 1.00 0.00 C ATOM 901 CG2 ILE A 58 -2.627 -2.706 7.194 1.00 0.00 C ATOM 902 CD1 ILE A 58 -5.524 -2.093 6.695 1.00 0.00 C ATOM 0 H ILE A 58 -5.197 -5.699 7.036 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.789 -5.127 5.814 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.182 -3.815 8.182 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.336 -3.116 5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.511 -4.141 6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.042 -1.732 7.452 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.872 -2.985 7.929 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.169 -2.655 6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.283 -1.785 5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.000 -2.324 7.648 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.807 -1.284 6.835 1.00 0.00 H new ATOM 914 N VAL A 59 -1.156 -6.339 7.317 1.00 0.00 N ATOM 915 CA VAL A 59 -0.001 -6.749 8.083 1.00 0.00 C ATOM 916 C VAL A 59 1.250 -6.648 7.223 1.00 0.00 C ATOM 917 O VAL A 59 1.176 -6.759 5.993 1.00 0.00 O ATOM 918 CB VAL A 59 -0.178 -8.193 8.596 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.343 -8.250 9.583 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.475 -9.141 7.421 1.00 0.00 C ATOM 0 H VAL A 59 -1.193 -6.737 6.378 1.00 0.00 H new ATOM 0 HA VAL A 59 0.102 -6.088 8.943 1.00 0.00 H new ATOM 0 HB VAL A 59 0.743 -8.503 9.089 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.465 -9.271 9.943 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.138 -7.590 10.426 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.258 -7.929 9.085 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.598 -10.157 7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.391 -8.825 6.921 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.353 -9.113 6.713 1.00 0.00 H new ATOM 930 N SER A 60 2.399 -6.530 7.855 1.00 0.00 N ATOM 931 CA SER A 60 3.653 -6.533 7.122 1.00 0.00 C ATOM 932 C SER A 60 4.331 -7.860 7.346 1.00 0.00 C ATOM 933 O SER A 60 4.609 -8.213 8.488 1.00 0.00 O ATOM 934 CB SER A 60 4.585 -5.414 7.607 1.00 0.00 C ATOM 935 OG SER A 60 3.837 -4.266 8.022 1.00 0.00 O ATOM 0 H SER A 60 2.494 -6.431 8.866 1.00 0.00 H new ATOM 0 HA SER A 60 3.442 -6.370 6.065 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.192 -5.776 8.437 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.271 -5.135 6.807 1.00 0.00 H new ATOM 0 HG SER A 60 4.424 -3.652 8.511 1.00 0.00 H new ATOM 941 N THR A 61 4.639 -8.586 6.288 1.00 0.00 N ATOM 942 CA THR A 61 5.335 -9.826 6.493 1.00 0.00 C ATOM 943 C THR A 61 6.725 -9.507 7.011 1.00 0.00 C ATOM 944 O THR A 61 7.590 -9.069 6.240 1.00 0.00 O ATOM 945 CB THR A 61 5.398 -10.665 5.195 1.00 0.00 C ATOM 946 OG1 THR A 61 6.504 -10.259 4.403 1.00 0.00 O ATOM 947 CG2 THR A 61 4.110 -10.490 4.380 1.00 0.00 C ATOM 0 H THR A 61 4.426 -8.347 5.320 1.00 0.00 H new ATOM 0 HA THR A 61 4.797 -10.431 7.223 1.00 0.00 H new ATOM 0 HB THR A 61 5.510 -11.713 5.473 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.974 -9.524 4.850 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.171 -11.087 3.470 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.257 -10.819 4.973 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.986 -9.440 4.117 1.00 0.00 H new ATOM 955 N LYS A 62 6.912 -9.615 8.313 1.00 0.00 N ATOM 956 CA LYS A 62 8.185 -9.262 8.912 1.00 0.00 C ATOM 957 C LYS A 62 9.282 -10.150 8.342 1.00 0.00 C ATOM 958 O LYS A 62 9.331 -11.347 8.651 1.00 0.00 O ATOM 959 CB LYS A 62 8.129 -9.489 10.435 1.00 0.00 C ATOM 960 CG LYS A 62 7.100 -8.575 11.119 1.00 0.00 C ATOM 961 CD LYS A 62 7.574 -7.113 11.072 1.00 0.00 C ATOM 962 CE LYS A 62 6.598 -6.234 11.864 1.00 0.00 C ATOM 963 NZ LYS A 62 6.697 -6.567 13.311 1.00 0.00 N ATOM 0 H LYS A 62 6.205 -9.942 8.972 1.00 0.00 H new ATOM 0 HA LYS A 62 8.393 -8.214 8.696 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.879 -10.530 10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.115 -9.309 10.864 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.134 -8.668 10.623 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.958 -8.886 12.154 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.577 -7.031 11.491 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.632 -6.771 10.039 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.829 -5.181 11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.579 -6.394 11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.332 -5.774 13.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.137 -7.420 13.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.692 -6.740 13.560 1.00 0.00 H new ATOM 977 N LYS A 63 10.217 -9.563 7.604 1.00 0.00 N ATOM 978 CA LYS A 63 11.368 -10.317 7.128 1.00 0.00 C ATOM 979 C LYS A 63 12.640 -9.602 7.534 1.00 0.00 C ATOM 980 O LYS A 63 12.746 -8.393 7.372 1.00 0.00 O ATOM 981 CB LYS A 63 11.349 -10.466 5.602 1.00 0.00 C ATOM 982 CG LYS A 63 10.086 -11.222 5.153 1.00 0.00 C ATOM 983 CD LYS A 63 10.260 -11.720 3.704 1.00 0.00 C ATOM 984 CE LYS A 63 10.212 -10.540 2.730 1.00 0.00 C ATOM 985 NZ LYS A 63 11.040 -10.841 1.532 1.00 0.00 N ATOM 0 H LYS A 63 10.202 -8.582 7.326 1.00 0.00 H new ATOM 0 HA LYS A 63 11.327 -11.311 7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.377 -9.482 5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.238 -11.002 5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.901 -12.066 5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.217 -10.568 5.220 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.210 -12.245 3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.474 -12.434 3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.182 -10.345 2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.579 -9.638 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.004 -10.036 0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.025 -11.006 1.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.671 -11.691 1.060 1.00 0.00 H new ATOM 999 N LEU A 64 13.613 -10.344 8.011 1.00 0.00 N ATOM 1000 CA LEU A 64 14.891 -9.762 8.379 1.00 0.00 C ATOM 1001 C LEU A 64 15.994 -10.385 7.558 1.00 0.00 C ATOM 1002 O LEU A 64 16.205 -11.603 7.604 1.00 0.00 O ATOM 1003 CB LEU A 64 15.135 -9.936 9.887 1.00 0.00 C ATOM 1004 CG LEU A 64 16.432 -9.227 10.334 1.00 0.00 C ATOM 1005 CD1 LEU A 64 16.380 -7.747 9.978 1.00 0.00 C ATOM 1006 CD2 LEU A 64 16.548 -9.344 11.852 1.00 0.00 C ATOM 0 H LEU A 64 13.548 -11.352 8.155 1.00 0.00 H new ATOM 0 HA LEU A 64 14.881 -8.693 8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.288 -9.533 10.443 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.198 -10.997 10.127 1.00 0.00 H new ATOM 0 HG LEU A 64 17.281 -9.691 9.833 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.302 -7.263 10.300 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.269 -7.636 8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.531 -7.282 10.479 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.459 -8.848 12.187 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.685 -8.871 12.320 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.583 -10.396 12.134 1.00 0.00 H new ATOM 1018 N ASP A 65 16.637 -9.568 6.742 1.00 0.00 N ATOM 1019 CA ASP A 65 17.665 -10.037 5.834 1.00 0.00 C ATOM 1020 C ASP A 65 19.021 -9.578 6.315 1.00 0.00 C ATOM 1021 O ASP A 65 19.140 -8.969 7.389 1.00 0.00 O ATOM 1022 CB ASP A 65 17.395 -9.496 4.414 1.00 0.00 C ATOM 1023 CG ASP A 65 17.524 -10.592 3.364 1.00 0.00 C ATOM 1024 OD1 ASP A 65 17.148 -11.707 3.646 1.00 0.00 O ATOM 1025 OD2 ASP A 65 17.988 -10.299 2.289 1.00 0.00 O ATOM 0 H ASP A 65 16.461 -8.565 6.691 1.00 0.00 H new ATOM 0 HA ASP A 65 17.650 -11.127 5.806 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.394 -9.066 4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.097 -8.692 4.190 1.00 0.00 H new ATOM 1030 N LYS A 66 20.029 -9.798 5.497 1.00 0.00 N ATOM 1031 CA LYS A 66 21.390 -9.372 5.806 1.00 0.00 C ATOM 1032 C LYS A 66 21.399 -7.890 6.153 1.00 0.00 C ATOM 1033 O LYS A 66 22.368 -7.360 6.699 1.00 0.00 O ATOM 1034 CB LYS A 66 22.303 -9.626 4.595 1.00 0.00 C ATOM 1035 CG LYS A 66 21.918 -8.670 3.443 1.00 0.00 C ATOM 1036 CD LYS A 66 21.022 -9.398 2.441 1.00 0.00 C ATOM 1037 CE LYS A 66 20.192 -8.376 1.649 1.00 0.00 C ATOM 1038 NZ LYS A 66 19.326 -9.094 0.695 1.00 0.00 N ATOM 0 H LYS A 66 19.935 -10.275 4.600 1.00 0.00 H new ATOM 0 HA LYS A 66 21.758 -9.943 6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 66 23.345 -9.473 4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 66 22.210 -10.662 4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 66 21.400 -7.797 3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 66 22.817 -8.307 2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.631 -9.993 1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.362 -10.089 2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.587 -7.776 2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.850 -7.689 1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.811 -8.407 0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.910 -9.701 0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.645 -9.681 1.218 1.00 0.00 H new ATOM 1052 N GLU A 67 20.313 -7.225 5.796 1.00 0.00 N ATOM 1053 CA GLU A 67 20.177 -5.801 5.974 1.00 0.00 C ATOM 1054 C GLU A 67 20.366 -5.444 7.439 1.00 0.00 C ATOM 1055 O GLU A 67 20.917 -4.401 7.767 1.00 0.00 O ATOM 1056 CB GLU A 67 18.770 -5.375 5.533 1.00 0.00 C ATOM 1057 CG GLU A 67 18.581 -5.655 4.034 1.00 0.00 C ATOM 1058 CD GLU A 67 17.173 -5.278 3.596 1.00 0.00 C ATOM 1059 OE1 GLU A 67 16.439 -4.746 4.397 1.00 0.00 O ATOM 1060 OE2 GLU A 67 16.851 -5.526 2.461 1.00 0.00 O ATOM 0 H GLU A 67 19.498 -7.668 5.372 1.00 0.00 H new ATOM 0 HA GLU A 67 20.931 -5.288 5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.020 -5.916 6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.623 -4.314 5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.312 -5.088 3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 67 18.762 -6.710 3.829 1.00 0.00 H new ATOM 1067 N GLY A 68 19.852 -6.289 8.313 1.00 0.00 N ATOM 1068 CA GLY A 68 19.913 -6.022 9.738 1.00 0.00 C ATOM 1069 C GLY A 68 18.767 -5.119 10.146 1.00 0.00 C ATOM 1070 O GLY A 68 18.657 -4.722 11.308 1.00 0.00 O ATOM 0 H GLY A 68 19.389 -7.163 8.063 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.865 -6.958 10.294 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.864 -5.552 9.988 1.00 0.00 H new ATOM 1074 N ARG A 69 17.882 -4.838 9.200 1.00 0.00 N ATOM 1075 CA ARG A 69 16.691 -4.052 9.470 1.00 0.00 C ATOM 1076 C ARG A 69 15.494 -4.929 9.123 1.00 0.00 C ATOM 1077 O ARG A 69 15.425 -5.460 8.011 1.00 0.00 O ATOM 1078 CB ARG A 69 16.653 -2.800 8.556 1.00 0.00 C ATOM 1079 CG ARG A 69 18.043 -2.484 7.982 1.00 0.00 C ATOM 1080 CD ARG A 69 19.033 -2.044 9.063 1.00 0.00 C ATOM 1081 NE ARG A 69 20.397 -2.206 8.547 1.00 0.00 N ATOM 1082 CZ ARG A 69 21.143 -1.200 8.081 1.00 0.00 C ATOM 1083 NH1 ARG A 69 20.710 0.032 8.118 1.00 0.00 N ATOM 1084 NH2 ARG A 69 22.318 -1.458 7.584 1.00 0.00 N ATOM 0 H ARG A 69 17.970 -5.147 8.232 1.00 0.00 H new ATOM 0 HA ARG A 69 16.681 -3.731 10.512 1.00 0.00 H new ATOM 0 HB2 ARG A 69 15.949 -2.964 7.740 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.289 -1.944 9.124 1.00 0.00 H new ATOM 0 HG2 ARG A 69 18.432 -3.366 7.473 1.00 0.00 H new ATOM 0 HG3 ARG A 69 17.954 -1.697 7.233 1.00 0.00 H new ATOM 0 HD2 ARG A 69 18.854 -1.005 9.338 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.897 -2.641 9.965 1.00 0.00 H new ATOM 0 HE ARG A 69 20.800 -3.143 8.544 1.00 0.00 H new ATOM 0 HH11 ARG A 69 19.790 0.238 8.507 1.00 0.00 H new ATOM 0 HH12 ARG A 69 21.292 0.788 7.758 1.00 0.00 H new ATOM 0 HH21 ARG A 69 22.659 -2.419 7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 69 22.898 -0.699 7.225 1.00 0.00 H new ATOM 1098 N THR A 70 14.580 -5.116 10.052 1.00 0.00 N ATOM 1099 CA THR A 70 13.421 -5.965 9.782 1.00 0.00 C ATOM 1100 C THR A 70 12.533 -5.326 8.715 1.00 0.00 C ATOM 1101 O THR A 70 12.167 -4.153 8.823 1.00 0.00 O ATOM 1102 CB THR A 70 12.640 -6.249 11.076 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.535 -6.721 12.087 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.565 -7.314 10.817 1.00 0.00 C ATOM 0 H THR A 70 14.607 -4.704 10.985 1.00 0.00 H new ATOM 0 HA THR A 70 13.769 -6.923 9.396 1.00 0.00 H new ATOM 0 HB THR A 70 12.164 -5.327 11.409 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.034 -6.899 12.910 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.017 -7.509 11.739 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.875 -6.956 10.053 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.039 -8.234 10.475 1.00 0.00 H new ATOM 1112 N HIS A 71 12.257 -6.078 7.663 1.00 0.00 N ATOM 1113 CA HIS A 71 11.498 -5.590 6.525 1.00 0.00 C ATOM 1114 C HIS A 71 9.995 -5.733 6.752 1.00 0.00 C ATOM 1115 O HIS A 71 9.517 -6.768 7.225 1.00 0.00 O ATOM 1116 CB HIS A 71 11.912 -6.361 5.259 1.00 0.00 C ATOM 1117 CG HIS A 71 12.430 -5.411 4.212 1.00 0.00 C ATOM 1118 ND1 HIS A 71 13.737 -4.933 4.219 1.00 0.00 N ATOM 1119 CD2 HIS A 71 11.837 -4.855 3.102 1.00 0.00 C ATOM 1120 CE1 HIS A 71 13.876 -4.136 3.141 1.00 0.00 C ATOM 1121 NE2 HIS A 71 12.750 -4.053 2.427 1.00 0.00 N ATOM 0 H HIS A 71 12.555 -7.049 7.574 1.00 0.00 H new ATOM 0 HA HIS A 71 11.718 -4.530 6.400 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.680 -7.094 5.507 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.059 -6.914 4.867 1.00 0.00 H new ATOM 0 HD1 HIS A 71 14.456 -5.146 4.911 1.00 0.00 H new ATOM 0 HD2 HIS A 71 10.813 -5.018 2.800 1.00 0.00 H new ATOM 0 HE1 HIS A 71 14.792 -3.624 2.884 1.00 0.00 H new ATOM 0 HE2 HIS A 71 12.594 -3.518 1.573 1.00 0.00 H new ATOM 1130 N HIS A 72 9.262 -4.724 6.309 1.00 0.00 N ATOM 1131 CA HIS A 72 7.810 -4.703 6.329 1.00 0.00 C ATOM 1132 C HIS A 72 7.285 -4.913 4.923 1.00 0.00 C ATOM 1133 O HIS A 72 7.307 -3.984 4.115 1.00 0.00 O ATOM 1134 CB HIS A 72 7.301 -3.317 6.790 1.00 0.00 C ATOM 1135 CG HIS A 72 7.249 -3.197 8.284 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.066 -3.365 9.000 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.205 -2.864 9.209 1.00 0.00 C ATOM 1138 CE1 HIS A 72 6.345 -3.129 10.296 1.00 0.00 C ATOM 1139 NE2 HIS A 72 7.633 -2.818 10.480 1.00 0.00 N ATOM 0 H HIS A 72 9.672 -3.876 5.916 1.00 0.00 H new ATOM 0 HA HIS A 72 7.468 -5.485 7.007 1.00 0.00 H new ATOM 0 HB2 HIS A 72 7.953 -2.541 6.388 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.307 -3.143 6.379 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.243 -2.667 8.987 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.616 -3.184 11.091 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.097 -2.595 11.361 1.00 0.00 H new ATOM 1148 N TYR A 73 6.693 -6.068 4.668 1.00 0.00 N ATOM 1149 CA TYR A 73 6.014 -6.294 3.392 1.00 0.00 C ATOM 1150 C TYR A 73 4.525 -6.299 3.615 1.00 0.00 C ATOM 1151 O TYR A 73 3.969 -7.283 4.116 1.00 0.00 O ATOM 1152 CB TYR A 73 6.451 -7.612 2.746 1.00 0.00 C ATOM 1153 CG TYR A 73 7.815 -7.444 2.132 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.962 -7.675 2.896 1.00 0.00 C ATOM 1155 CD2 TYR A 73 7.925 -7.044 0.801 1.00 0.00 C ATOM 1156 CE1 TYR A 73 10.224 -7.501 2.324 1.00 0.00 C ATOM 1157 CE2 TYR A 73 9.176 -6.877 0.226 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.330 -7.099 0.980 1.00 0.00 C ATOM 1159 OH TYR A 73 11.563 -6.911 0.404 1.00 0.00 O ATOM 0 H TYR A 73 6.665 -6.857 5.314 1.00 0.00 H new ATOM 0 HA TYR A 73 6.286 -5.487 2.711 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.472 -8.406 3.493 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.732 -7.911 1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.873 -7.987 3.926 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.035 -6.864 0.217 1.00 0.00 H new ATOM 0 HE1 TYR A 73 11.114 -7.674 2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.258 -6.574 -0.808 1.00 0.00 H new ATOM 0 HH TYR A 73 11.517 -6.167 -0.232 1.00 0.00 H new ATOM 1169 N MET A 74 3.897 -5.173 3.334 1.00 0.00 N ATOM 1170 CA MET A 74 2.477 -4.987 3.578 1.00 0.00 C ATOM 1171 C MET A 74 1.765 -4.522 2.326 1.00 0.00 C ATOM 1172 O MET A 74 2.114 -3.482 1.756 1.00 0.00 O ATOM 1173 CB MET A 74 2.278 -3.965 4.709 1.00 0.00 C ATOM 1174 CG MET A 74 0.781 -3.742 4.992 1.00 0.00 C ATOM 1175 SD MET A 74 0.609 -2.560 6.347 1.00 0.00 S ATOM 1176 CE MET A 74 1.245 -1.106 5.473 1.00 0.00 C ATOM 0 H MET A 74 4.358 -4.358 2.929 1.00 0.00 H new ATOM 0 HA MET A 74 2.048 -5.945 3.873 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.775 -4.316 5.613 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.745 -3.019 4.436 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.281 -3.367 4.099 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.302 -4.686 5.253 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.173 -0.777 5.941 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.435 -1.362 4.431 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.510 -0.302 5.521 1.00 0.00 H new ATOM 1186 N ARG A 75 0.695 -5.217 1.974 1.00 0.00 N ATOM 1187 CA ARG A 75 -0.169 -4.791 0.889 1.00 0.00 C ATOM 1188 C ARG A 75 -1.555 -4.613 1.444 1.00 0.00 C ATOM 1189 O ARG A 75 -1.966 -5.361 2.331 1.00 0.00 O ATOM 1190 CB ARG A 75 -0.248 -5.846 -0.229 1.00 0.00 C ATOM 1191 CG ARG A 75 1.139 -6.236 -0.721 1.00 0.00 C ATOM 1192 CD ARG A 75 1.035 -6.841 -2.129 1.00 0.00 C ATOM 1193 NE ARG A 75 -0.207 -7.602 -2.322 1.00 0.00 N ATOM 1194 CZ ARG A 75 -0.580 -8.027 -3.549 1.00 0.00 C ATOM 1195 NH1 ARG A 75 0.197 -7.802 -4.581 1.00 0.00 N ATOM 1196 NH2 ARG A 75 -1.707 -8.655 -3.710 1.00 0.00 N ATOM 0 H ARG A 75 0.405 -6.083 2.428 1.00 0.00 H new ATOM 0 HA ARG A 75 0.235 -3.869 0.471 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.768 -6.731 0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.834 -5.455 -1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.789 -5.361 -0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.589 -6.956 -0.037 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.087 -6.043 -2.869 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.889 -7.495 -2.304 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.797 -7.813 -1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.080 -7.307 -4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.082 -8.122 -5.509 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.313 -8.828 -2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.985 -8.974 -4.638 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.290 -3.690 0.894 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.659 -3.502 1.289 1.00 0.00 C ATOM 1212 C PHE A 76 -4.514 -3.055 0.138 1.00 0.00 C ATOM 1213 O PHE A 76 -4.001 -2.603 -0.900 1.00 0.00 O ATOM 1214 CB PHE A 76 -3.793 -2.602 2.533 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.151 -1.246 2.325 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -1.801 -1.063 2.651 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -3.905 -0.163 1.846 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -1.203 0.185 2.490 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -3.301 1.093 1.691 1.00 0.00 C ATOM 1220 CZ PHE A 76 -1.952 1.264 2.011 1.00 0.00 C ATOM 0 H PHE A 76 -1.964 -3.053 0.168 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.043 -4.476 1.593 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.848 -2.470 2.773 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.330 -3.095 3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.222 -1.892 3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.947 -0.297 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.160 0.319 2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.879 1.928 1.324 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.487 2.231 1.888 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.799 -3.299 0.251 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.718 -3.000 -0.812 1.00 0.00 C ATOM 1232 C HIS A 77 -7.654 -1.916 -0.381 1.00 0.00 C ATOM 1233 O HIS A 77 -8.018 -1.829 0.796 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.489 -4.259 -1.243 1.00 0.00 C ATOM 1235 CG HIS A 77 -6.543 -5.232 -1.901 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -5.250 -4.884 -2.255 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -6.688 -6.540 -2.275 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -4.678 -5.968 -2.823 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -5.508 -7.003 -2.853 1.00 0.00 N ATOM 0 H HIS A 77 -6.231 -3.708 1.080 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.154 -2.651 -1.677 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.960 -4.724 -0.377 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.288 -3.990 -1.934 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.585 -7.127 -2.142 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.668 -5.990 -3.206 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.322 -7.936 -3.220 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.990 -1.048 -1.300 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.845 0.048 -0.981 1.00 0.00 C ATOM 1250 C VAL A 78 -10.000 0.109 -1.953 1.00 0.00 C ATOM 1251 O VAL A 78 -9.867 -0.265 -3.119 1.00 0.00 O ATOM 1252 CB VAL A 78 -8.057 1.379 -0.963 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.705 1.173 -0.260 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.809 1.877 -2.397 1.00 0.00 C ATOM 0 H VAL A 78 -7.681 -1.085 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.248 -0.107 0.020 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.645 2.122 -0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.153 2.113 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.874 0.840 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.128 0.419 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.254 2.814 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.233 1.132 -2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.764 2.038 -2.897 1.00 0.00 H new ATOM 1264 N GLU A 79 -11.084 0.669 -1.501 1.00 0.00 N ATOM 1265 CA GLU A 79 -12.232 0.881 -2.328 1.00 0.00 C ATOM 1266 C GLU A 79 -12.289 2.348 -2.683 1.00 0.00 C ATOM 1267 O GLU A 79 -12.395 3.209 -1.805 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.492 0.431 -1.580 1.00 0.00 C ATOM 1269 CG GLU A 79 -13.449 -1.116 -1.443 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.573 -1.650 -0.576 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.361 -0.872 -0.090 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.628 -2.852 -0.411 1.00 0.00 O ATOM 0 H GLU A 79 -11.195 0.993 -0.540 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.169 0.296 -3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.537 0.899 -0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.386 0.740 -2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.511 -1.568 -2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.491 -1.414 -1.016 1.00 0.00 H new ATOM 1279 N SER A 80 -12.046 2.621 -3.945 1.00 0.00 N ATOM 1280 CA SER A 80 -11.889 3.965 -4.443 1.00 0.00 C ATOM 1281 C SER A 80 -13.235 4.548 -4.799 1.00 0.00 C ATOM 1282 O SER A 80 -14.275 3.963 -4.497 1.00 0.00 O ATOM 1283 CB SER A 80 -10.983 3.944 -5.672 1.00 0.00 C ATOM 1284 OG SER A 80 -10.159 2.774 -5.625 1.00 0.00 O ATOM 0 H SER A 80 -11.951 1.903 -4.664 1.00 0.00 H new ATOM 0 HA SER A 80 -11.436 4.587 -3.671 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.583 3.945 -6.582 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.363 4.840 -5.698 1.00 0.00 H new ATOM 0 HG SER A 80 -10.630 2.025 -6.045 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.232 5.708 -5.424 1.00 0.00 N ATOM 1291 CA LYS A 81 -14.478 6.339 -5.793 1.00 0.00 C ATOM 1292 C LYS A 81 -15.205 5.485 -6.818 1.00 0.00 C ATOM 1293 O LYS A 81 -16.432 5.546 -6.918 1.00 0.00 O ATOM 1294 CB LYS A 81 -14.222 7.712 -6.409 1.00 0.00 C ATOM 1295 CG LYS A 81 -13.452 8.637 -5.446 1.00 0.00 C ATOM 1296 CD LYS A 81 -14.208 8.835 -4.137 1.00 0.00 C ATOM 1297 CE LYS A 81 -14.499 10.332 -3.933 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.126 10.754 -2.568 1.00 0.00 N ATOM 0 H LYS A 81 -12.392 6.225 -5.683 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.082 6.448 -4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.655 7.596 -7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.173 8.174 -6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.470 8.212 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.287 9.604 -5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.141 8.272 -4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.620 8.451 -3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.944 10.919 -4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.557 10.529 -4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.423 11.739 -2.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.597 10.139 -1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.095 10.681 -2.452 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.439 4.815 -7.678 1.00 0.00 N ATOM 1313 CA LYS A 82 -15.033 4.074 -8.792 1.00 0.00 C ATOM 1314 C LYS A 82 -14.687 2.582 -8.733 1.00 0.00 C ATOM 1315 O LYS A 82 -15.491 1.732 -9.132 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.520 4.654 -10.114 1.00 0.00 C ATOM 1317 CG LYS A 82 -14.669 6.190 -10.129 1.00 0.00 C ATOM 1318 CD LYS A 82 -16.143 6.611 -10.166 1.00 0.00 C ATOM 1319 CE LYS A 82 -16.217 8.144 -10.176 1.00 0.00 C ATOM 1320 NZ LYS A 82 -15.440 8.676 -11.329 1.00 0.00 N ATOM 0 H LYS A 82 -13.421 4.769 -7.628 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.116 4.173 -8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.473 4.384 -10.254 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.075 4.221 -10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.191 6.612 -9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.151 6.598 -10.997 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.630 6.203 -11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.672 6.213 -9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -17.256 8.467 -10.245 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.820 8.543 -9.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.522 9.032 -10.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.285 7.917 -12.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.969 9.451 -11.776 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.454 2.278 -8.358 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.957 0.893 -8.352 1.00 0.00 C ATOM 1336 C LYS A 83 -12.238 0.566 -7.049 1.00 0.00 C ATOM 1337 O LYS A 83 -12.097 1.418 -6.169 1.00 0.00 O ATOM 1338 CB LYS A 83 -12.009 0.659 -9.536 1.00 0.00 C ATOM 1339 CG LYS A 83 -12.750 0.836 -10.874 1.00 0.00 C ATOM 1340 CD LYS A 83 -13.820 -0.257 -11.058 1.00 0.00 C ATOM 1341 CE LYS A 83 -14.539 -0.037 -12.401 1.00 0.00 C ATOM 1342 NZ LYS A 83 -15.585 -1.080 -12.601 1.00 0.00 N ATOM 0 H LYS A 83 -12.769 2.969 -8.051 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.820 0.234 -8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.174 1.358 -9.483 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.589 -0.345 -9.478 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.219 1.819 -10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.037 0.795 -11.697 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.357 -1.244 -11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.537 -0.223 -10.238 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.994 0.953 -12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.818 -0.073 -13.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.064 -0.922 -13.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.141 -2.021 -12.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -16.281 -1.026 -11.830 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.783 -0.665 -6.937 1.00 0.00 N ATOM 1357 CA ILE A 84 -11.080 -1.130 -5.747 1.00 0.00 C ATOM 1358 C ILE A 84 -9.589 -1.248 -6.068 1.00 0.00 C ATOM 1359 O ILE A 84 -9.229 -1.805 -7.097 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.655 -2.487 -5.342 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -13.164 -2.339 -5.171 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -11.043 -2.939 -4.011 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.786 -3.709 -4.975 1.00 0.00 C ATOM 0 H ILE A 84 -11.887 -1.374 -7.663 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.206 -0.429 -4.922 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.426 -3.227 -6.109 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.383 -1.702 -4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.595 -1.854 -6.047 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.458 -3.907 -3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.962 -3.025 -4.118 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.273 -2.207 -3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.864 -3.605 -4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -13.578 -4.331 -5.846 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -13.363 -4.177 -4.086 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.745 -0.621 -5.257 1.00 0.00 N ATOM 1376 CA ALA A 85 -7.311 -0.524 -5.565 1.00 0.00 C ATOM 1377 C ALA A 85 -6.424 -1.245 -4.561 1.00 0.00 C ATOM 1378 O ALA A 85 -6.805 -1.471 -3.417 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.887 0.944 -5.671 1.00 0.00 C ATOM 0 H ALA A 85 -9.021 -0.172 -4.384 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.172 -1.025 -6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.823 1.000 -5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.454 1.430 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.082 1.448 -4.724 1.00 0.00 H new ATOM 1385 N LEU A 86 -5.213 -1.535 -5.005 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.182 -2.179 -4.209 1.00 0.00 C ATOM 1387 C LEU A 86 -3.038 -1.223 -3.907 1.00 0.00 C ATOM 1388 O LEU A 86 -2.492 -0.586 -4.807 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.675 -3.449 -4.941 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.227 -3.824 -4.513 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.142 -4.156 -3.024 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -1.761 -5.031 -5.332 1.00 0.00 C ATOM 0 H LEU A 86 -4.911 -1.323 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.612 -2.474 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.344 -4.283 -4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.704 -3.284 -6.018 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.584 -2.963 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.114 -4.412 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.458 -3.292 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.793 -5.001 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.747 -5.300 -5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.428 -5.874 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.777 -4.779 -6.392 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.633 -1.180 -2.649 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.479 -0.403 -2.244 1.00 0.00 C ATOM 1406 C VAL A 87 -0.481 -1.346 -1.571 1.00 0.00 C ATOM 1407 O VAL A 87 -0.869 -2.170 -0.730 1.00 0.00 O ATOM 1408 CB VAL A 87 -1.904 0.720 -1.283 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.700 1.575 -0.902 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -2.973 1.615 -1.943 1.00 0.00 C ATOM 0 H VAL A 87 -3.092 -1.679 -1.887 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.015 0.064 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.320 0.261 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.016 2.366 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.048 0.952 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.270 2.019 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.264 2.405 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.565 2.060 -2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.846 1.013 -2.195 1.00 0.00 H new ATOM 1420 N HIS A 88 0.778 -1.283 -1.989 1.00 0.00 N ATOM 1421 CA HIS A 88 1.812 -2.162 -1.461 1.00 0.00 C ATOM 1422 C HIS A 88 2.961 -1.336 -0.924 1.00 0.00 C ATOM 1423 O HIS A 88 3.488 -0.469 -1.624 1.00 0.00 O ATOM 1424 CB HIS A 88 2.280 -3.155 -2.548 1.00 0.00 C ATOM 1425 CG HIS A 88 3.578 -3.820 -2.151 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.460 -4.325 -3.093 1.00 0.00 N ATOM 1427 CD2 HIS A 88 4.166 -4.043 -0.930 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.528 -4.811 -2.430 1.00 0.00 C ATOM 1429 NE2 HIS A 88 5.398 -4.664 -1.108 1.00 0.00 N ATOM 0 H HIS A 88 1.108 -0.627 -2.697 1.00 0.00 H new ATOM 0 HA HIS A 88 1.405 -2.748 -0.637 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.513 -3.913 -2.708 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.411 -2.629 -3.494 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.325 -4.328 -4.104 1.00 0.00 H new ATOM 0 HD2 HIS A 88 3.737 -3.776 0.024 1.00 0.00 H new ATOM 0 HE1 HIS A 88 6.384 -5.264 -2.908 1.00 0.00 H new ATOM 1438 N LEU A 89 3.284 -1.545 0.341 1.00 0.00 N ATOM 1439 CA LEU A 89 4.291 -0.754 1.026 1.00 0.00 C ATOM 1440 C LEU A 89 5.444 -1.651 1.478 1.00 0.00 C ATOM 1441 O LEU A 89 5.220 -2.638 2.192 1.00 0.00 O ATOM 1442 CB LEU A 89 3.628 -0.105 2.257 1.00 0.00 C ATOM 1443 CG LEU A 89 4.636 0.703 3.090 1.00 0.00 C ATOM 1444 CD1 LEU A 89 5.037 1.968 2.348 1.00 0.00 C ATOM 1445 CD2 LEU A 89 4.008 1.074 4.433 1.00 0.00 C ATOM 0 H LEU A 89 2.856 -2.267 0.921 1.00 0.00 H new ATOM 0 HA LEU A 89 4.688 0.009 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.819 0.549 1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.181 -0.880 2.880 1.00 0.00 H new ATOM 0 HG LEU A 89 5.525 0.095 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.751 2.531 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.495 1.701 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.153 2.580 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.723 1.647 5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.114 1.674 4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.738 0.166 4.972 1.00 0.00 H new ATOM 1457 N GLU A 90 6.679 -1.251 1.163 1.00 0.00 N ATOM 1458 CA GLU A 90 7.859 -1.932 1.680 1.00 0.00 C ATOM 1459 C GLU A 90 8.558 -1.000 2.658 1.00 0.00 C ATOM 1460 O GLU A 90 8.941 0.119 2.286 1.00 0.00 O ATOM 1461 CB GLU A 90 8.857 -2.325 0.560 1.00 0.00 C ATOM 1462 CG GLU A 90 9.898 -3.303 1.155 1.00 0.00 C ATOM 1463 CD GLU A 90 10.996 -3.632 0.161 1.00 0.00 C ATOM 1464 OE1 GLU A 90 11.949 -2.889 0.106 1.00 0.00 O ATOM 1465 OE2 GLU A 90 10.892 -4.633 -0.519 1.00 0.00 O ATOM 0 H GLU A 90 6.883 -0.459 0.553 1.00 0.00 H new ATOM 0 HA GLU A 90 7.532 -2.853 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.329 -2.792 -0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.352 -1.438 0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.338 -2.864 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.399 -4.222 1.462 1.00 0.00 H new ATOM 1472 N ALA A 91 8.723 -1.440 3.891 1.00 0.00 N ATOM 1473 CA ALA A 91 9.375 -0.626 4.911 1.00 0.00 C ATOM 1474 C ALA A 91 10.327 -1.467 5.726 1.00 0.00 C ATOM 1475 O ALA A 91 10.182 -2.674 5.772 1.00 0.00 O ATOM 1476 CB ALA A 91 8.338 0.047 5.831 1.00 0.00 C ATOM 0 H ALA A 91 8.416 -2.357 4.215 1.00 0.00 H new ATOM 0 HA ALA A 91 9.940 0.157 4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.853 0.647 6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.687 0.689 5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.740 -0.718 6.326 1.00 0.00 H new ATOM 1482 N LYS A 92 11.284 -0.840 6.382 1.00 0.00 N ATOM 1483 CA LYS A 92 12.209 -1.576 7.244 1.00 0.00 C ATOM 1484 C LYS A 92 12.263 -0.978 8.632 1.00 0.00 C ATOM 1485 O LYS A 92 12.461 0.232 8.785 1.00 0.00 O ATOM 1486 CB LYS A 92 13.624 -1.651 6.637 1.00 0.00 C ATOM 1487 CG LYS A 92 14.136 -0.239 6.315 1.00 0.00 C ATOM 1488 CD LYS A 92 15.587 -0.309 5.824 1.00 0.00 C ATOM 1489 CE LYS A 92 15.985 1.036 5.189 1.00 0.00 C ATOM 1490 NZ LYS A 92 15.825 2.134 6.175 1.00 0.00 N ATOM 0 H LYS A 92 11.447 0.166 6.341 1.00 0.00 H new ATOM 0 HA LYS A 92 11.824 -2.593 7.322 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.302 -2.142 7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.608 -2.256 5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.507 0.220 5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.073 0.391 7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.252 -0.540 6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.696 -1.113 5.096 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.019 0.993 4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.366 1.231 4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.367 2.948 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.236 1.806 6.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 16.759 2.418 6.533 1.00 0.00 H new ATOM 1504 N GLU A 93 12.173 -1.825 9.643 1.00 0.00 N ATOM 1505 CA GLU A 93 12.290 -1.375 11.018 1.00 0.00 C ATOM 1506 C GLU A 93 13.651 -0.755 11.231 1.00 0.00 C ATOM 1507 O GLU A 93 14.672 -1.453 11.223 1.00 0.00 O ATOM 1508 CB GLU A 93 12.081 -2.554 11.981 1.00 0.00 C ATOM 1509 CG GLU A 93 10.601 -2.967 11.984 1.00 0.00 C ATOM 1510 CD GLU A 93 9.751 -1.956 12.746 1.00 0.00 C ATOM 1511 OE1 GLU A 93 10.298 -1.236 13.557 1.00 0.00 O ATOM 1512 OE2 GLU A 93 8.564 -1.925 12.518 1.00 0.00 O ATOM 0 H GLU A 93 12.019 -2.828 9.537 1.00 0.00 H new ATOM 0 HA GLU A 93 11.523 -0.627 11.219 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.703 -3.397 11.679 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.392 -2.273 12.987 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.241 -3.050 10.958 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.496 -3.952 12.439 1.00 0.00 H new ATOM 1519 N SER A 94 13.675 0.554 11.393 1.00 0.00 N ATOM 1520 CA SER A 94 14.917 1.252 11.565 1.00 0.00 C ATOM 1521 C SER A 94 15.558 0.806 12.854 1.00 0.00 C ATOM 1522 O SER A 94 14.865 0.411 13.787 1.00 0.00 O ATOM 1523 CB SER A 94 14.637 2.734 11.641 1.00 0.00 C ATOM 1524 OG SER A 94 13.680 3.095 10.637 1.00 0.00 O ATOM 0 H SER A 94 12.845 1.147 11.408 1.00 0.00 H new ATOM 0 HA SER A 94 15.583 1.040 10.729 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.257 2.992 12.629 1.00 0.00 H new ATOM 0 HB3 SER A 94 15.560 3.296 11.497 1.00 0.00 H new ATOM 0 HG SER A 94 12.796 3.193 11.048 1.00 0.00 H new ATOM 1604 N GLN A 99 9.932 4.135 14.086 1.00 0.00 N ATOM 1605 CA GLN A 99 9.154 3.726 12.934 1.00 0.00 C ATOM 1606 C GLN A 99 10.044 3.093 11.865 1.00 0.00 C ATOM 1607 O GLN A 99 11.182 3.542 11.634 1.00 0.00 O ATOM 1608 CB GLN A 99 8.432 4.932 12.335 1.00 0.00 C ATOM 1609 CG GLN A 99 7.776 5.779 13.445 1.00 0.00 C ATOM 1610 CD GLN A 99 6.270 5.809 13.254 1.00 0.00 C ATOM 1611 OE1 GLN A 99 5.672 6.877 13.169 1.00 0.00 O ATOM 1612 NE2 GLN A 99 5.608 4.697 13.176 1.00 0.00 N ATOM 0 HA GLN A 99 8.426 2.986 13.268 1.00 0.00 H new ATOM 0 HB2 GLN A 99 9.138 5.543 11.773 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.672 4.594 11.630 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.019 5.363 14.423 1.00 0.00 H new ATOM 0 HG3 GLN A 99 8.174 6.794 13.423 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.099 3.805 13.246 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.597 4.714 13.045 1.00 0.00 H new ATOM 1621 N PRO A 100 9.527 2.126 11.148 1.00 0.00 N ATOM 1622 CA PRO A 100 10.265 1.517 10.006 1.00 0.00 C ATOM 1623 C PRO A 100 10.365 2.467 8.807 1.00 0.00 C ATOM 1624 O PRO A 100 9.471 3.285 8.571 1.00 0.00 O ATOM 1625 CB PRO A 100 9.447 0.271 9.667 1.00 0.00 C ATOM 1626 CG PRO A 100 8.071 0.616 10.090 1.00 0.00 C ATOM 1627 CD PRO A 100 8.234 1.443 11.363 1.00 0.00 C ATOM 0 HA PRO A 100 11.300 1.288 10.261 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.491 0.043 8.602 1.00 0.00 H new ATOM 0 HB3 PRO A 100 9.819 -0.606 10.197 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.553 1.183 9.317 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.481 -0.281 10.277 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.418 2.154 11.491 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.252 0.815 12.254 1.00 0.00 H new ATOM 1635 N ASP A 101 11.445 2.343 8.061 1.00 0.00 N ATOM 1636 CA ASP A 101 11.704 3.189 6.896 1.00 0.00 C ATOM 1637 C ASP A 101 10.973 2.661 5.681 1.00 0.00 C ATOM 1638 O ASP A 101 11.249 1.539 5.246 1.00 0.00 O ATOM 1639 CB ASP A 101 13.196 3.169 6.592 1.00 0.00 C ATOM 1640 CG ASP A 101 13.544 4.066 5.429 1.00 0.00 C ATOM 1641 OD1 ASP A 101 12.820 4.984 5.167 1.00 0.00 O ATOM 1642 OD2 ASP A 101 14.562 3.816 4.823 1.00 0.00 O ATOM 0 H ASP A 101 12.174 1.653 8.240 1.00 0.00 H new ATOM 0 HA ASP A 101 11.361 4.199 7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.751 3.487 7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.508 2.148 6.370 1.00 0.00 H new ATOM 1647 N PHE A 102 10.089 3.466 5.098 1.00 0.00 N ATOM 1648 CA PHE A 102 9.397 3.047 3.881 1.00 0.00 C ATOM 1649 C PHE A 102 10.413 2.969 2.747 1.00 0.00 C ATOM 1650 O PHE A 102 10.710 3.981 2.099 1.00 0.00 O ATOM 1651 CB PHE A 102 8.342 4.093 3.482 1.00 0.00 C ATOM 1652 CG PHE A 102 7.306 4.300 4.564 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.556 3.224 5.041 1.00 0.00 C ATOM 1654 CD2 PHE A 102 7.076 5.585 5.066 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.576 3.435 6.015 1.00 0.00 C ATOM 1656 CE2 PHE A 102 6.101 5.794 6.046 1.00 0.00 C ATOM 1657 CZ PHE A 102 5.349 4.721 6.518 1.00 0.00 C ATOM 0 H PHE A 102 9.838 4.394 5.439 1.00 0.00 H new ATOM 0 HA PHE A 102 8.919 2.084 4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 102 8.835 5.041 3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.848 3.776 2.564 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.733 2.230 4.658 1.00 0.00 H new ATOM 0 HD2 PHE A 102 7.654 6.419 4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 102 4.992 2.603 6.380 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.931 6.786 6.437 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.592 4.881 7.271 1.00 0.00 H new ATOM 1667 N ILE A 103 10.927 1.783 2.483 1.00 0.00 N ATOM 1668 CA ILE A 103 11.863 1.609 1.395 1.00 0.00 C ATOM 1669 C ILE A 103 11.175 1.818 0.058 1.00 0.00 C ATOM 1670 O ILE A 103 11.681 2.521 -0.794 1.00 0.00 O ATOM 1671 CB ILE A 103 12.554 0.234 1.474 1.00 0.00 C ATOM 1672 CG1 ILE A 103 13.433 0.214 2.724 1.00 0.00 C ATOM 1673 CG2 ILE A 103 13.460 0.015 0.241 1.00 0.00 C ATOM 1674 CD1 ILE A 103 13.953 -1.190 2.964 1.00 0.00 C ATOM 0 H ILE A 103 10.713 0.933 3.004 1.00 0.00 H new ATOM 0 HA ILE A 103 12.642 2.366 1.487 1.00 0.00 H new ATOM 0 HB ILE A 103 11.797 -0.549 1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.267 0.905 2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.861 0.552 3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.941 -0.961 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.857 0.057 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 103 14.222 0.794 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.579 -1.199 3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.113 -1.870 3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.541 -1.512 2.105 1.00 0.00 H new ATOM 1686 N ASN A 104 9.993 1.240 -0.098 1.00 0.00 N ATOM 1687 CA ASN A 104 9.239 1.344 -1.351 1.00 0.00 C ATOM 1688 C ASN A 104 7.752 1.344 -1.070 1.00 0.00 C ATOM 1689 O ASN A 104 7.303 0.746 -0.091 1.00 0.00 O ATOM 1690 CB ASN A 104 9.568 0.144 -2.256 1.00 0.00 C ATOM 1691 CG ASN A 104 9.058 0.385 -3.682 1.00 0.00 C ATOM 1692 OD1 ASN A 104 8.177 1.205 -3.906 1.00 0.00 O ATOM 1693 ND2 ASN A 104 9.580 -0.266 -4.658 1.00 0.00 N ATOM 0 H ASN A 104 9.529 0.691 0.626 1.00 0.00 H new ATOM 0 HA ASN A 104 9.517 2.275 -1.846 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.645 -0.021 -2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 104 9.114 -0.760 -1.850 1.00 0.00 H new ATOM 0 HD21 ASN A 104 9.260 -0.098 -5.612 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.315 -0.951 -4.479 1.00 0.00 H new ATOM 1700 N MET A 105 6.983 1.912 -1.977 1.00 0.00 N ATOM 1701 CA MET A 105 5.537 1.874 -1.879 1.00 0.00 C ATOM 1702 C MET A 105 4.882 2.402 -3.148 1.00 0.00 C ATOM 1703 O MET A 105 5.249 3.479 -3.662 1.00 0.00 O ATOM 1704 CB MET A 105 5.048 2.582 -0.596 1.00 0.00 C ATOM 1705 CG MET A 105 4.277 3.862 -0.892 1.00 0.00 C ATOM 1706 SD MET A 105 2.605 3.457 -1.448 1.00 0.00 S ATOM 1707 CE MET A 105 1.926 3.017 0.168 1.00 0.00 C ATOM 0 H MET A 105 7.337 2.408 -2.795 1.00 0.00 H new ATOM 0 HA MET A 105 5.223 0.834 -1.791 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.412 1.902 -0.030 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.905 2.816 0.035 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.232 4.485 0.001 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.794 4.440 -1.658 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.904 3.387 0.246 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.929 1.933 0.281 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.535 3.465 0.953 1.00 0.00 H new ATOM 1717 N TYR A 106 3.946 1.626 -3.676 1.00 0.00 N ATOM 1718 CA TYR A 106 3.288 1.954 -4.928 1.00 0.00 C ATOM 1719 C TYR A 106 1.824 1.573 -4.886 1.00 0.00 C ATOM 1720 O TYR A 106 1.380 0.841 -3.986 1.00 0.00 O ATOM 1721 CB TYR A 106 3.990 1.283 -6.124 1.00 0.00 C ATOM 1722 CG TYR A 106 4.025 -0.216 -5.950 1.00 0.00 C ATOM 1723 CD1 TYR A 106 5.100 -0.822 -5.296 1.00 0.00 C ATOM 1724 CD2 TYR A 106 2.986 -0.996 -6.458 1.00 0.00 C ATOM 1725 CE1 TYR A 106 5.134 -2.209 -5.146 1.00 0.00 C ATOM 1726 CE2 TYR A 106 3.015 -2.380 -6.312 1.00 0.00 C ATOM 1727 CZ TYR A 106 4.088 -2.988 -5.657 1.00 0.00 C ATOM 1728 OH TYR A 106 4.117 -4.360 -5.518 1.00 0.00 O ATOM 0 H TYR A 106 3.624 0.757 -3.250 1.00 0.00 H new ATOM 0 HA TYR A 106 3.357 3.033 -5.062 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.467 1.535 -7.047 1.00 0.00 H new ATOM 0 HB3 TYR A 106 5.006 1.667 -6.218 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.905 -0.217 -4.906 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.157 -0.525 -6.966 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.963 -2.680 -4.638 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.209 -2.982 -6.705 1.00 0.00 H new ATOM 0 HH TYR A 106 3.315 -4.747 -5.927 1.00 0.00 H new ATOM 1738 N VAL A 107 1.065 2.115 -5.818 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.369 1.903 -5.838 1.00 0.00 C ATOM 1740 C VAL A 107 -0.777 1.152 -7.095 1.00 0.00 C ATOM 1741 O VAL A 107 -0.375 1.512 -8.215 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.091 3.259 -5.754 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.593 3.083 -6.014 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -0.879 3.861 -4.358 1.00 0.00 C ATOM 0 H VAL A 107 1.417 2.705 -6.571 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.654 1.298 -4.978 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.680 3.926 -6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.089 4.052 -5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.743 2.662 -7.008 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.015 2.410 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.389 4.822 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.284 3.185 -3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.187 4.004 -4.181 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.569 0.112 -6.910 1.00 0.00 N ATOM 1755 CA ASP A 108 -2.063 -0.693 -8.009 1.00 0.00 C ATOM 1756 C ASP A 108 -3.575 -0.611 -8.080 1.00 0.00 C ATOM 1757 O ASP A 108 -4.279 -1.230 -7.271 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.632 -2.159 -7.840 1.00 0.00 C ATOM 1759 CG ASP A 108 -1.836 -2.941 -9.131 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -2.567 -2.487 -9.987 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -1.240 -3.986 -9.263 1.00 0.00 O ATOM 0 H ASP A 108 -1.888 -0.198 -5.992 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.639 -0.305 -8.935 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.583 -2.202 -7.547 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.207 -2.620 -7.037 1.00 0.00 H new ATOM 1766 N VAL A 109 -4.081 0.118 -9.052 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.520 0.235 -9.247 1.00 0.00 C ATOM 1768 C VAL A 109 -5.916 -0.491 -10.525 1.00 0.00 C ATOM 1769 O VAL A 109 -5.190 -0.435 -11.522 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.934 1.709 -9.324 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -7.432 1.852 -9.036 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -5.127 2.532 -8.315 1.00 0.00 C ATOM 0 H VAL A 109 -3.520 0.642 -9.724 1.00 0.00 H new ATOM 0 HA VAL A 109 -6.033 -0.219 -8.399 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.731 2.080 -10.329 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.715 2.903 -9.093 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.000 1.283 -9.772 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.648 1.472 -8.038 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.427 3.578 -8.376 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.315 2.159 -7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.064 2.445 -8.542 1.00 0.00 H new ATOM 1782 N PRO A 110 -7.013 -1.199 -10.516 1.00 0.00 N ATOM 1783 CA PRO A 110 -7.439 -1.962 -11.718 1.00 0.00 C ATOM 1784 C PRO A 110 -7.618 -1.030 -12.901 1.00 0.00 C ATOM 1785 O PRO A 110 -8.130 0.076 -12.756 1.00 0.00 O ATOM 1786 CB PRO A 110 -8.792 -2.563 -11.300 1.00 0.00 C ATOM 1787 CG PRO A 110 -8.738 -2.595 -9.814 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.990 -1.342 -9.422 1.00 0.00 C ATOM 0 HA PRO A 110 -6.713 -2.715 -12.025 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.624 -1.954 -11.655 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -8.928 -3.562 -11.714 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.739 -2.608 -9.383 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.226 -3.488 -9.457 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.652 -0.479 -9.354 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.502 -1.447 -8.453 1.00 0.00 H new ATOM 1796 N GLY A 111 -7.198 -1.474 -14.065 1.00 0.00 N ATOM 1797 CA GLY A 111 -7.332 -0.684 -15.281 1.00 0.00 C ATOM 1798 C GLY A 111 -6.513 0.604 -15.223 1.00 0.00 C ATOM 1799 O GLY A 111 -6.624 1.453 -16.115 1.00 0.00 O ATOM 0 H GLY A 111 -6.757 -2.384 -14.201 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.011 -1.279 -16.136 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.382 -0.438 -15.439 1.00 0.00 H new ATOM 1803 N GLU A 112 -5.713 0.766 -14.177 1.00 0.00 N ATOM 1804 CA GLU A 112 -4.903 1.973 -14.028 1.00 0.00 C ATOM 1805 C GLU A 112 -3.418 1.636 -14.149 1.00 0.00 C ATOM 1806 O GLU A 112 -3.007 0.483 -13.951 1.00 0.00 O ATOM 1807 CB GLU A 112 -5.152 2.632 -12.668 1.00 0.00 C ATOM 1808 CG GLU A 112 -6.641 3.037 -12.513 1.00 0.00 C ATOM 1809 CD GLU A 112 -7.039 4.156 -13.469 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -6.177 4.865 -13.923 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -8.214 4.302 -13.719 1.00 0.00 O ATOM 0 H GLU A 112 -5.606 0.085 -13.425 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.189 2.664 -14.821 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.873 1.944 -11.870 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.519 3.513 -12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.272 2.167 -12.693 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.823 3.357 -11.487 1.00 0.00 H new ATOM 1818 N LYS A 113 -2.619 2.641 -14.442 1.00 0.00 N ATOM 1819 CA LYS A 113 -1.176 2.484 -14.553 1.00 0.00 C ATOM 1820 C LYS A 113 -0.552 2.394 -13.181 1.00 0.00 C ATOM 1821 O LYS A 113 -1.094 2.925 -12.208 1.00 0.00 O ATOM 1822 CB LYS A 113 -0.630 3.675 -15.280 1.00 0.00 C ATOM 1823 CG LYS A 113 -1.175 3.604 -16.682 1.00 0.00 C ATOM 1824 CD LYS A 113 -0.793 4.834 -17.455 1.00 0.00 C ATOM 1825 CE LYS A 113 -1.407 4.697 -18.827 1.00 0.00 C ATOM 1826 NZ LYS A 113 -1.190 5.935 -19.612 1.00 0.00 N ATOM 0 H LYS A 113 -2.948 3.592 -14.611 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.944 1.568 -15.096 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.934 4.601 -14.792 1.00 0.00 H new ATOM 0 HB3 LYS A 113 0.460 3.660 -15.286 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -0.790 2.717 -17.184 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.260 3.508 -16.653 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -1.158 5.732 -16.957 1.00 0.00 H new ATOM 0 HD3 LYS A 113 0.291 4.926 -17.524 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.966 3.846 -19.347 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.475 4.497 -18.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.617 5.828 -20.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -1.631 6.739 -19.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -0.169 6.108 -19.712 1.00 0.00 H new ATOM 1840 N ARG A 114 0.565 1.708 -13.098 1.00 0.00 N ATOM 1841 CA ARG A 114 1.246 1.525 -11.823 1.00 0.00 C ATOM 1842 C ARG A 114 1.819 2.847 -11.336 1.00 0.00 C ATOM 1843 O ARG A 114 2.321 3.645 -12.135 1.00 0.00 O ATOM 1844 CB ARG A 114 2.348 0.470 -11.970 1.00 0.00 C ATOM 1845 CG ARG A 114 3.622 1.095 -12.527 1.00 0.00 C ATOM 1846 CD ARG A 114 4.519 -0.020 -13.058 1.00 0.00 C ATOM 1847 NE ARG A 114 5.871 0.467 -13.344 1.00 0.00 N ATOM 1848 CZ ARG A 114 6.135 1.244 -14.389 1.00 0.00 C ATOM 1849 NH1 ARG A 114 5.167 1.630 -15.171 1.00 0.00 N ATOM 1850 NH2 ARG A 114 7.360 1.618 -14.627 1.00 0.00 N ATOM 0 H ARG A 114 1.026 1.266 -13.893 1.00 0.00 H new ATOM 0 HA ARG A 114 0.529 1.175 -11.080 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.554 0.015 -11.001 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.009 -0.327 -12.631 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.381 1.799 -13.324 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.138 1.658 -11.750 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.569 -0.827 -12.327 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.083 -0.438 -13.965 1.00 0.00 H new ATOM 0 HE ARG A 114 6.634 0.201 -12.721 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.209 1.336 -14.980 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.367 2.227 -15.974 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.115 1.314 -14.012 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.564 2.214 -15.429 1.00 0.00 H new ATOM 1864 N TYR A 115 1.710 3.098 -10.049 1.00 0.00 N ATOM 1865 CA TYR A 115 2.183 4.356 -9.484 1.00 0.00 C ATOM 1866 C TYR A 115 2.990 4.111 -8.237 1.00 0.00 C ATOM 1867 O TYR A 115 2.486 3.538 -7.270 1.00 0.00 O ATOM 1868 CB TYR A 115 0.994 5.252 -9.163 1.00 0.00 C ATOM 1869 CG TYR A 115 1.468 6.600 -8.669 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.747 7.626 -9.584 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.618 6.828 -7.299 1.00 0.00 C ATOM 1872 CE1 TYR A 115 2.169 8.868 -9.130 1.00 0.00 C ATOM 1873 CE2 TYR A 115 2.043 8.078 -6.841 1.00 0.00 C ATOM 1874 CZ TYR A 115 2.319 9.100 -7.756 1.00 0.00 C ATOM 1875 OH TYR A 115 2.729 10.342 -7.309 1.00 0.00 O ATOM 0 H TYR A 115 1.301 2.454 -9.372 1.00 0.00 H new ATOM 0 HA TYR A 115 2.823 4.848 -10.217 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.377 5.380 -10.052 1.00 0.00 H new ATOM 0 HB3 TYR A 115 0.368 4.779 -8.406 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.633 7.449 -10.643 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.406 6.038 -6.594 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.382 9.657 -9.836 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.158 8.255 -5.782 1.00 0.00 H new ATOM 0 HH TYR A 115 2.424 11.032 -7.934 1.00 0.00 H new ATOM 1885 N TYR A 116 4.197 4.628 -8.222 1.00 0.00 N ATOM 1886 CA TYR A 116 5.051 4.518 -7.063 1.00 0.00 C ATOM 1887 C TYR A 116 4.974 5.780 -6.239 1.00 0.00 C ATOM 1888 O TYR A 116 5.647 6.778 -6.542 1.00 0.00 O ATOM 1889 CB TYR A 116 6.503 4.264 -7.491 1.00 0.00 C ATOM 1890 CG TYR A 116 6.673 2.842 -7.971 1.00 0.00 C ATOM 1891 CD1 TYR A 116 6.185 2.462 -9.226 1.00 0.00 C ATOM 1892 CD2 TYR A 116 7.333 1.907 -7.166 1.00 0.00 C ATOM 1893 CE1 TYR A 116 6.357 1.152 -9.678 1.00 0.00 C ATOM 1894 CE2 TYR A 116 7.499 0.591 -7.619 1.00 0.00 C ATOM 1895 CZ TYR A 116 7.014 0.216 -8.871 1.00 0.00 C ATOM 1896 OH TYR A 116 7.188 -1.073 -9.318 1.00 0.00 O ATOM 0 H TYR A 116 4.611 5.132 -9.006 1.00 0.00 H new ATOM 0 HA TYR A 116 4.709 3.677 -6.460 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.781 4.957 -8.285 1.00 0.00 H new ATOM 0 HB3 TYR A 116 7.174 4.454 -6.653 1.00 0.00 H new ATOM 0 HD1 TYR A 116 5.674 3.183 -9.847 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.713 2.199 -6.198 1.00 0.00 H new ATOM 0 HE1 TYR A 116 5.984 0.862 -10.649 1.00 0.00 H new ATOM 0 HE2 TYR A 116 8.003 -0.134 -6.997 1.00 0.00 H new ATOM 0 HH TYR A 116 7.663 -1.594 -8.638 1.00 0.00 H new ATOM 1906 N LEU A 117 4.252 5.698 -5.145 1.00 0.00 N ATOM 1907 CA LEU A 117 4.193 6.775 -4.187 1.00 0.00 C ATOM 1908 C LEU A 117 5.566 6.989 -3.612 1.00 0.00 C ATOM 1909 O LEU A 117 6.039 8.124 -3.503 1.00 0.00 O ATOM 1910 CB LEU A 117 3.206 6.426 -3.074 1.00 0.00 C ATOM 1911 CG LEU A 117 3.172 7.534 -2.013 1.00 0.00 C ATOM 1912 CD1 LEU A 117 2.757 8.869 -2.638 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.187 7.150 -0.910 1.00 0.00 C ATOM 0 H LEU A 117 3.690 4.884 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 117 3.855 7.688 -4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.210 6.287 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.491 5.481 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 117 4.171 7.648 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.739 9.641 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.472 9.146 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.764 8.772 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.161 7.936 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.192 7.025 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.504 6.214 -0.449 1.00 0.00 H new ATOM 1925 N ILE A 118 6.229 5.891 -3.317 1.00 0.00 N ATOM 1926 CA ILE A 118 7.576 5.948 -2.823 1.00 0.00 C ATOM 1927 C ILE A 118 8.488 5.179 -3.764 1.00 0.00 C ATOM 1928 O ILE A 118 8.283 3.990 -4.009 1.00 0.00 O ATOM 1929 CB ILE A 118 7.635 5.349 -1.404 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.743 6.171 -0.460 1.00 0.00 C ATOM 1931 CG2 ILE A 118 9.074 5.378 -0.878 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.660 5.488 0.911 1.00 0.00 C ATOM 0 H ILE A 118 5.850 4.949 -3.413 1.00 0.00 H new ATOM 0 HA ILE A 118 7.908 6.985 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 118 7.284 4.318 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.146 7.178 -0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.745 6.272 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.103 4.952 0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.715 4.794 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.429 6.408 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.026 6.077 1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.236 4.491 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.659 5.410 1.340 1.00 0.00 H new ATOM 1944 N LYS A 119 9.511 5.850 -4.254 1.00 0.00 N ATOM 1945 CA LYS A 119 10.491 5.205 -5.100 1.00 0.00 C ATOM 1946 C LYS A 119 11.580 4.618 -4.225 1.00 0.00 C ATOM 1947 O LYS A 119 12.149 5.321 -3.388 1.00 0.00 O ATOM 1948 CB LYS A 119 11.110 6.199 -6.097 1.00 0.00 C ATOM 1949 CG LYS A 119 10.057 7.202 -6.604 1.00 0.00 C ATOM 1950 CD LYS A 119 8.885 6.458 -7.276 1.00 0.00 C ATOM 1951 CE LYS A 119 8.347 7.260 -8.483 1.00 0.00 C ATOM 1952 NZ LYS A 119 8.715 8.699 -8.356 1.00 0.00 N ATOM 0 H LYS A 119 9.684 6.840 -4.080 1.00 0.00 H new ATOM 0 HA LYS A 119 9.997 4.420 -5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.929 6.737 -5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.535 5.656 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.686 7.801 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.514 7.891 -7.315 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.215 5.473 -7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.085 6.301 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.755 6.854 -9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.263 7.159 -8.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.111 9.268 -8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 8.580 9.006 -7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.711 8.828 -8.625 1.00 0.00 H new ATOM 1966 N PRO A 120 11.871 3.364 -4.373 1.00 0.00 N ATOM 1967 CA PRO A 120 12.898 2.718 -3.530 1.00 0.00 C ATOM 1968 C PRO A 120 14.275 3.282 -3.786 1.00 0.00 C ATOM 1969 O PRO A 120 14.477 4.057 -4.729 1.00 0.00 O ATOM 1970 CB PRO A 120 12.815 1.240 -3.884 1.00 0.00 C ATOM 1971 CG PRO A 120 12.238 1.207 -5.258 1.00 0.00 C ATOM 1972 CD PRO A 120 11.317 2.422 -5.371 1.00 0.00 C ATOM 0 HA PRO A 120 12.721 2.893 -2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.799 0.771 -3.857 1.00 0.00 H new ATOM 0 HB3 PRO A 120 12.185 0.699 -3.178 1.00 0.00 H new ATOM 0 HG2 PRO A 120 13.026 1.246 -6.011 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.684 0.283 -5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 120 11.332 2.846 -6.375 1.00 0.00 H new ATOM 0 HD3 PRO A 120 10.282 2.164 -5.149 1.00 0.00 H new ATOM 1980 N LYS A 121 15.184 2.996 -2.881 1.00 0.00 N ATOM 1981 CA LYS A 121 16.538 3.487 -2.997 1.00 0.00 C ATOM 1982 C LYS A 121 17.177 2.936 -4.264 1.00 0.00 C ATOM 1983 O LYS A 121 18.122 2.123 -4.218 1.00 0.00 O ATOM 1984 CB LYS A 121 17.358 3.115 -1.757 1.00 0.00 C ATOM 1985 CG LYS A 121 17.059 1.665 -1.347 1.00 0.00 C ATOM 1986 CD LYS A 121 18.015 1.228 -0.246 1.00 0.00 C ATOM 1987 CE LYS A 121 17.688 1.970 1.067 1.00 0.00 C ATOM 1988 NZ LYS A 121 18.947 2.448 1.702 1.00 0.00 N ATOM 0 H LYS A 121 15.009 2.424 -2.055 1.00 0.00 H new ATOM 0 HA LYS A 121 16.517 4.575 -3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 121 18.422 3.231 -1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.119 3.791 -0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 121 16.029 1.581 -1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 121 17.159 1.006 -2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 121 17.938 0.152 -0.093 1.00 0.00 H new ATOM 0 HD3 LYS A 121 19.043 1.435 -0.543 1.00 0.00 H new ATOM 0 HE2 LYS A 121 17.029 2.814 0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 121 17.156 1.306 1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 18.722 2.947 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 19.561 1.635 1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 19.438 3.096 1.054 1.00 0.00 H new