USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 568 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 51 THR OG1 : rot 143:sc= 0.0732 USER MOD Set 1.2: A 54 TYR OH : rot 59:sc= 0.0473 USER MOD Set 2.1: A 43 ASN :FLIP amide:sc= -0.0386 F(o=-1.6,f=0.046) USER MOD Set 2.2: A 44 THR OG1 : rot -11:sc= 0.0846 USER MOD Set 3.1: A 33 LYS NZ :NH3+ -118:sc= 1.36 (180deg=0.379) USER MOD Set 3.2: A 35 TYR OH : rot 0:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.0236 F(o=-1.8!,f=-0.024) USER MOD Single : A 16 ASN : amide:sc= 0.724 K(o=0.72,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.523 X(o=-0.52,f=-0.13) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 180:sc= -0.39 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0523 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 120:sc= -0.0622 USER MOD Single : A 39 CYS SG : rot 89:sc= -1.24! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc=-0.00625 USER MOD Single : A 47 CYS SG : rot 50:sc= -2.58! USER MOD Single : A 52 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.41) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N ALA A 5 4.407 -9.193 9.167 1.00 0.00 N ATOM 62 CA ALA A 5 3.298 -9.328 8.218 1.00 0.00 C ATOM 63 C ALA A 5 3.339 -8.267 7.127 1.00 0.00 C ATOM 64 O ALA A 5 3.206 -8.538 5.936 1.00 0.00 O ATOM 65 CB ALA A 5 1.996 -9.206 9.012 1.00 0.00 C ATOM 0 HA ALA A 5 3.373 -10.294 7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.147 -9.302 8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 5 1.953 -9.995 9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.960 -8.234 9.504 1.00 0.00 H new ATOM 71 N VAL A 6 3.545 -7.030 7.563 1.00 0.00 N ATOM 72 CA VAL A 6 3.467 -5.862 6.681 1.00 0.00 C ATOM 73 C VAL A 6 4.697 -5.826 5.750 1.00 0.00 C ATOM 74 O VAL A 6 4.608 -5.431 4.592 1.00 0.00 O ATOM 75 CB VAL A 6 3.320 -4.599 7.556 1.00 0.00 C ATOM 76 CG1 VAL A 6 3.560 -3.324 6.747 1.00 0.00 C ATOM 77 CG2 VAL A 6 1.923 -4.544 8.194 1.00 0.00 C ATOM 0 H VAL A 6 3.770 -6.804 8.532 1.00 0.00 H new ATOM 0 HA VAL A 6 2.595 -5.914 6.028 1.00 0.00 H new ATOM 0 HB VAL A 6 4.076 -4.658 8.339 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.448 -2.455 7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.568 -3.340 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.835 -3.266 5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.838 -3.647 8.807 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.166 -4.521 7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.773 -5.425 8.818 1.00 0.00 H new ATOM 87 N GLN A 7 5.826 -6.331 6.257 1.00 0.00 N ATOM 88 CA GLN A 7 7.103 -6.490 5.573 1.00 0.00 C ATOM 89 C GLN A 7 6.965 -7.389 4.343 1.00 0.00 C ATOM 90 O GLN A 7 7.146 -6.957 3.208 1.00 0.00 O ATOM 91 CB GLN A 7 8.068 -7.097 6.612 1.00 0.00 C ATOM 92 CG GLN A 7 9.450 -7.570 6.129 1.00 0.00 C ATOM 93 CD GLN A 7 10.399 -6.388 6.018 1.00 0.00 C ATOM 94 OE1 GLN A 7 9.993 -5.399 5.266 1.00 0.00 O flip ATOM 95 NE2 GLN A 7 11.437 -6.320 6.663 1.00 0.00 N flip ATOM 0 H GLN A 7 5.870 -6.660 7.221 1.00 0.00 H new ATOM 0 HA GLN A 7 7.476 -5.535 5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.225 -6.355 7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.568 -7.948 7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.854 -8.306 6.824 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.356 -8.063 5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.730 -7.107 7.242 1.00 0.00 H new ATOM 0 HE22 GLN A 7 12.009 -5.476 6.622 1.00 0.00 H new ATOM 104 N ASP A 8 6.594 -8.625 4.642 1.00 0.00 N ATOM 105 CA ASP A 8 6.391 -9.809 3.765 1.00 0.00 C ATOM 106 C ASP A 8 5.616 -9.436 2.520 1.00 0.00 C ATOM 107 O ASP A 8 6.029 -9.758 1.410 1.00 0.00 O ATOM 108 CB ASP A 8 5.595 -10.901 4.549 1.00 0.00 C ATOM 109 CG ASP A 8 4.836 -11.973 3.725 1.00 0.00 C ATOM 110 OD1 ASP A 8 5.456 -13.021 3.395 1.00 0.00 O ATOM 111 OD2 ASP A 8 3.634 -11.788 3.434 1.00 0.00 O1- ATOM 0 H ASP A 8 6.401 -8.869 5.614 1.00 0.00 H new ATOM 0 HA ASP A 8 7.369 -10.188 3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.294 -11.417 5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.871 -10.394 5.187 1.00 0.00 H new ATOM 116 N PHE A 9 4.495 -8.746 2.709 1.00 0.00 N ATOM 117 CA PHE A 9 3.686 -8.293 1.610 1.00 0.00 C ATOM 118 C PHE A 9 4.331 -7.137 0.833 1.00 0.00 C ATOM 119 O PHE A 9 4.211 -7.096 -0.387 1.00 0.00 O ATOM 120 CB PHE A 9 2.327 -7.914 2.187 1.00 0.00 C ATOM 121 CG PHE A 9 1.450 -7.301 1.118 1.00 0.00 C ATOM 122 CD1 PHE A 9 0.876 -8.097 0.111 1.00 0.00 C ATOM 123 CD2 PHE A 9 1.435 -5.903 0.991 1.00 0.00 C ATOM 124 CE1 PHE A 9 0.286 -7.486 -1.012 1.00 0.00 C ATOM 125 CE2 PHE A 9 0.841 -5.304 -0.129 1.00 0.00 C ATOM 126 CZ PHE A 9 0.235 -6.089 -1.118 1.00 0.00 C ATOM 0 H PHE A 9 4.133 -8.492 3.628 1.00 0.00 H new ATOM 0 HA PHE A 9 3.580 -9.089 0.872 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.842 -8.798 2.601 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.458 -7.208 3.007 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.888 -9.173 0.199 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.882 -5.288 1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.131 -8.098 -1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.851 -4.229 -0.230 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.266 -5.623 -1.953 1.00 0.00 H new ATOM 136 N VAL A 10 4.999 -6.205 1.514 1.00 0.00 N ATOM 137 CA VAL A 10 5.530 -4.982 0.899 1.00 0.00 C ATOM 138 C VAL A 10 6.631 -5.271 -0.108 1.00 0.00 C ATOM 139 O VAL A 10 6.533 -4.824 -1.249 1.00 0.00 O ATOM 140 CB VAL A 10 5.986 -3.955 1.956 1.00 0.00 C ATOM 141 CG1 VAL A 10 6.951 -2.870 1.439 1.00 0.00 C ATOM 142 CG2 VAL A 10 4.736 -3.230 2.457 1.00 0.00 C ATOM 0 H VAL A 10 5.189 -6.275 2.514 1.00 0.00 H new ATOM 0 HA VAL A 10 4.705 -4.534 0.346 1.00 0.00 H new ATOM 0 HB VAL A 10 6.522 -4.519 2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.213 -2.197 2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.855 -3.341 1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.468 -2.303 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.019 -2.493 3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.248 -2.727 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.049 -3.952 2.898 1.00 0.00 H new ATOM 152 N VAL A 11 7.636 -6.041 0.316 1.00 0.00 N ATOM 153 CA VAL A 11 8.820 -6.399 -0.498 1.00 0.00 C ATOM 154 C VAL A 11 8.481 -7.084 -1.842 1.00 0.00 C ATOM 155 O VAL A 11 9.295 -7.088 -2.755 1.00 0.00 O ATOM 156 CB VAL A 11 9.813 -7.292 0.239 1.00 0.00 C ATOM 157 CG1 VAL A 11 10.501 -6.577 1.416 1.00 0.00 C ATOM 158 CG2 VAL A 11 9.089 -8.527 0.698 1.00 0.00 C ATOM 0 H VAL A 11 7.658 -6.445 1.252 1.00 0.00 H new ATOM 0 HA VAL A 11 9.274 -5.429 -0.700 1.00 0.00 H new ATOM 0 HB VAL A 11 10.616 -7.559 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.196 -7.262 1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.046 -5.709 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.749 -6.253 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.783 -9.180 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.275 -8.245 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.684 -9.054 -0.166 1.00 0.00 H new ATOM 168 N ASP A 12 7.301 -7.692 -1.960 1.00 0.00 N ATOM 169 CA ASP A 12 6.866 -8.419 -3.159 1.00 0.00 C ATOM 170 C ASP A 12 6.630 -7.484 -4.354 1.00 0.00 C ATOM 171 O ASP A 12 7.328 -7.582 -5.362 1.00 0.00 O ATOM 172 CB ASP A 12 5.652 -9.298 -2.806 1.00 0.00 C ATOM 173 CG ASP A 12 5.388 -10.403 -3.843 1.00 0.00 C ATOM 174 OD1 ASP A 12 4.209 -10.793 -4.002 1.00 0.00 O ATOM 175 OD2 ASP A 12 6.355 -10.891 -4.470 1.00 0.00 O1- ATOM 0 H ASP A 12 6.606 -7.695 -1.213 1.00 0.00 H new ATOM 0 HA ASP A 12 7.667 -9.080 -3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.813 -9.755 -1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.767 -8.668 -2.721 1.00 0.00 H new ATOM 180 N ILE A 13 5.744 -6.497 -4.179 1.00 0.00 N ATOM 181 CA ILE A 13 5.560 -5.318 -5.052 1.00 0.00 C ATOM 182 C ILE A 13 6.902 -4.639 -5.249 1.00 0.00 C ATOM 183 O ILE A 13 7.210 -4.188 -6.343 1.00 0.00 O ATOM 184 CB ILE A 13 4.563 -4.369 -4.391 1.00 0.00 C ATOM 185 CG1 ILE A 13 3.113 -4.896 -4.354 1.00 0.00 C ATOM 186 CG2 ILE A 13 4.562 -3.077 -5.219 1.00 0.00 C ATOM 187 CD1 ILE A 13 2.846 -5.996 -3.325 1.00 0.00 C ATOM 0 H ILE A 13 5.101 -6.493 -3.387 1.00 0.00 H new ATOM 0 HA ILE A 13 5.172 -5.614 -6.026 1.00 0.00 H new ATOM 0 HB ILE A 13 4.877 -4.237 -3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.444 -4.060 -4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.856 -5.276 -5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.861 -2.366 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.563 -2.645 -5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.261 -3.301 -6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.800 -6.298 -3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.483 -6.855 -3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.065 -5.620 -2.326 1.00 0.00 H new ATOM 199 N LEU A 14 7.676 -4.556 -4.181 1.00 0.00 N ATOM 200 CA LEU A 14 8.950 -3.878 -4.169 1.00 0.00 C ATOM 201 C LEU A 14 10.006 -4.470 -5.121 1.00 0.00 C ATOM 202 O LEU A 14 10.594 -3.761 -5.930 1.00 0.00 O ATOM 203 CB LEU A 14 9.435 -3.953 -2.713 1.00 0.00 C ATOM 204 CG LEU A 14 9.844 -2.612 -2.120 1.00 0.00 C ATOM 205 CD1 LEU A 14 10.474 -2.872 -0.749 1.00 0.00 C ATOM 206 CD2 LEU A 14 10.815 -1.912 -3.075 1.00 0.00 C ATOM 0 H LEU A 14 7.427 -4.968 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 14 8.816 -2.859 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.642 -4.382 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.284 -4.635 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 14 8.984 -1.955 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.776 -1.925 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.747 -3.363 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.348 -3.513 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.110 -0.951 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.699 -2.534 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.328 -1.752 -4.037 1.00 0.00 H new ATOM 218 N LEU A 15 10.314 -5.757 -4.951 1.00 0.00 N ATOM 219 CA LEU A 15 11.494 -6.451 -5.469 1.00 0.00 C ATOM 220 C LEU A 15 11.159 -7.318 -6.672 1.00 0.00 C ATOM 221 O LEU A 15 11.904 -7.326 -7.652 1.00 0.00 O ATOM 222 CB LEU A 15 12.074 -7.348 -4.356 1.00 0.00 C ATOM 223 CG LEU A 15 12.584 -6.631 -3.083 1.00 0.00 C ATOM 224 CD1 LEU A 15 13.322 -7.643 -2.190 1.00 0.00 C ATOM 225 CD2 LEU A 15 13.490 -5.421 -3.351 1.00 0.00 C ATOM 0 H LEU A 15 9.710 -6.380 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 15 12.217 -5.698 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.306 -8.063 -4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.899 -7.923 -4.777 1.00 0.00 H new ATOM 0 HG LEU A 15 11.700 -6.233 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.683 -7.141 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.640 -8.445 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.167 -8.061 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.800 -4.981 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.371 -5.742 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.944 -4.679 -3.934 1.00 0.00 H new ATOM 237 N ASN A 16 10.043 -8.049 -6.610 1.00 0.00 N ATOM 238 CA ASN A 16 9.537 -8.837 -7.735 1.00 0.00 C ATOM 239 C ASN A 16 8.643 -7.990 -8.673 1.00 0.00 C ATOM 240 O ASN A 16 8.540 -8.316 -9.861 1.00 0.00 O ATOM 241 CB ASN A 16 8.758 -10.053 -7.201 1.00 0.00 C ATOM 242 CG ASN A 16 9.589 -10.912 -6.238 1.00 0.00 C ATOM 243 OD1 ASN A 16 10.641 -11.432 -6.594 1.00 0.00 O ATOM 244 ND2 ASN A 16 9.124 -11.116 -5.014 1.00 0.00 N ATOM 0 H ASN A 16 9.463 -8.111 -5.773 1.00 0.00 H new ATOM 0 HA ASN A 16 10.389 -9.178 -8.323 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.859 -9.708 -6.690 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.432 -10.667 -8.040 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.642 -11.707 -4.364 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.249 -10.682 -4.722 1.00 0.00 H new ATOM 251 N GLY A 17 8.043 -6.916 -8.131 1.00 0.00 N ATOM 252 CA GLY A 17 7.089 -6.053 -8.830 1.00 0.00 C ATOM 253 C GLY A 17 5.631 -6.315 -8.515 1.00 0.00 C ATOM 254 O GLY A 17 5.279 -7.282 -7.851 1.00 0.00 O ATOM 0 H GLY A 17 8.216 -6.621 -7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.316 -5.015 -8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.239 -6.168 -9.904 1.00 0.00 H new ATOM 258 N ALA A 18 4.754 -5.459 -9.038 1.00 0.00 N ATOM 259 CA ALA A 18 3.316 -5.498 -8.796 1.00 0.00 C ATOM 260 C ALA A 18 2.511 -6.414 -9.758 1.00 0.00 C ATOM 261 O ALA A 18 3.082 -7.058 -10.647 1.00 0.00 O ATOM 262 CB ALA A 18 2.832 -4.042 -8.800 1.00 0.00 C ATOM 0 H ALA A 18 5.034 -4.699 -9.658 1.00 0.00 H new ATOM 0 HA ALA A 18 3.130 -5.970 -7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.757 -4.015 -8.622 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.344 -3.486 -8.014 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.051 -3.588 -9.767 1.00 0.00 H new ATOM 268 N ARG A 19 1.179 -6.368 -9.564 1.00 0.00 N ATOM 269 CA ARG A 19 0.138 -6.498 -10.595 1.00 0.00 C ATOM 270 C ARG A 19 0.354 -5.508 -11.765 1.00 0.00 C ATOM 271 O ARG A 19 1.460 -5.012 -11.972 1.00 0.00 O ATOM 272 CB ARG A 19 -1.222 -6.316 -9.872 1.00 0.00 C ATOM 273 CG ARG A 19 -2.148 -7.536 -9.906 1.00 0.00 C ATOM 274 CD ARG A 19 -1.617 -8.739 -9.116 1.00 0.00 C ATOM 275 NE ARG A 19 -0.823 -9.652 -9.958 1.00 0.00 N ATOM 276 CZ ARG A 19 -1.212 -10.827 -10.447 1.00 0.00 C ATOM 277 NH1 ARG A 19 -2.354 -11.380 -10.112 1.00 0.00 N ATOM 278 NH2 ARG A 19 -0.451 -11.500 -11.282 1.00 0.00 N ATOM 0 H ARG A 19 0.782 -6.232 -8.634 1.00 0.00 H new ATOM 0 HA ARG A 19 0.172 -7.478 -11.072 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.030 -6.055 -8.831 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.744 -5.471 -10.322 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.122 -7.252 -9.507 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.303 -7.834 -10.943 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.003 -8.385 -8.288 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.455 -9.284 -8.681 1.00 0.00 H new ATOM 0 HE ARG A 19 0.124 -9.352 -10.190 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.976 -10.908 -9.456 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.619 -12.282 -10.507 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.454 -11.123 -11.565 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.765 -12.399 -11.647 1.00 0.00 H new ATOM 292 N ASP A 20 -0.709 -5.212 -12.528 1.00 0.00 N ATOM 293 CA ASP A 20 -0.738 -4.173 -13.585 1.00 0.00 C ATOM 294 C ASP A 20 -0.336 -2.768 -13.050 1.00 0.00 C ATOM 295 O ASP A 20 -0.517 -1.757 -13.708 1.00 0.00 O ATOM 296 CB ASP A 20 -2.149 -4.197 -14.225 1.00 0.00 C ATOM 297 CG ASP A 20 -2.280 -3.642 -15.667 1.00 0.00 C ATOM 298 OD1 ASP A 20 -1.246 -3.492 -16.378 1.00 0.00 O ATOM 299 OD2 ASP A 20 -3.452 -3.455 -16.058 1.00 0.00 O1- ATOM 0 H ASP A 20 -1.600 -5.699 -12.429 1.00 0.00 H new ATOM 0 HA ASP A 20 0.010 -4.394 -14.346 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.503 -5.228 -14.226 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.822 -3.630 -13.582 1.00 0.00 H new ATOM 304 N TRP A 21 0.148 -2.639 -11.817 1.00 0.00 N ATOM 305 CA TRP A 21 0.705 -1.369 -11.261 1.00 0.00 C ATOM 306 C TRP A 21 2.154 -1.097 -11.774 1.00 0.00 C ATOM 307 O TRP A 21 2.911 -2.008 -12.045 1.00 0.00 O ATOM 308 CB TRP A 21 0.556 -1.369 -9.696 1.00 0.00 C ATOM 309 CG TRP A 21 -0.793 -1.676 -9.065 1.00 0.00 C ATOM 310 CD1 TRP A 21 -1.813 -2.422 -9.563 1.00 0.00 C ATOM 311 CD2 TRP A 21 -1.364 -1.025 -7.903 1.00 0.00 C ATOM 312 NE1 TRP A 21 -2.941 -2.339 -8.772 1.00 0.00 N ATOM 313 CE2 TRP A 21 -2.737 -1.409 -7.780 1.00 0.00 C ATOM 314 CE3 TRP A 21 -0.875 -0.016 -7.057 1.00 0.00 C ATOM 315 CZ2 TRP A 21 -3.586 -0.817 -6.841 1.00 0.00 C ATOM 316 CZ3 TRP A 21 -1.717 0.579 -6.124 1.00 0.00 C ATOM 317 CH2 TRP A 21 -3.048 0.160 -6.000 1.00 0.00 C ATOM 0 H TRP A 21 0.173 -3.413 -11.153 1.00 0.00 H new ATOM 0 HA TRP A 21 0.127 -0.522 -11.631 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.271 -2.091 -9.301 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.865 -0.386 -9.340 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.749 -3.009 -10.468 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.794 -2.883 -8.903 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.156 0.298 -7.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.624 -1.105 -6.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.342 1.370 -5.491 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.672 0.602 -5.237 1.00 0.00 H new ATOM 328 N ASP A 22 2.593 0.161 -11.567 1.00 0.00 N ATOM 329 CA ASP A 22 3.953 0.655 -11.519 1.00 0.00 C ATOM 330 C ASP A 22 4.558 0.574 -10.078 1.00 0.00 C ATOM 331 O ASP A 22 3.846 0.575 -9.073 1.00 0.00 O ATOM 332 CB ASP A 22 3.975 2.083 -12.103 1.00 0.00 C ATOM 333 CG ASP A 22 5.333 2.705 -12.429 1.00 0.00 C ATOM 334 OD1 ASP A 22 5.373 3.868 -12.779 1.00 0.00 O ATOM 335 OD2 ASP A 22 6.361 1.974 -12.233 1.00 0.00 O1- ATOM 0 H ASP A 22 1.926 0.918 -11.416 1.00 0.00 H new ATOM 0 HA ASP A 22 4.596 0.019 -12.127 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.382 2.079 -13.017 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.468 2.740 -11.397 1.00 0.00 H new ATOM 340 N VAL A 23 5.877 0.434 -10.013 1.00 0.00 N ATOM 341 CA VAL A 23 6.541 0.147 -8.761 1.00 0.00 C ATOM 342 C VAL A 23 7.213 1.473 -8.507 1.00 0.00 C ATOM 343 O VAL A 23 8.227 1.817 -9.129 1.00 0.00 O ATOM 344 CB VAL A 23 7.532 -1.025 -8.862 1.00 0.00 C ATOM 345 CG1 VAL A 23 8.355 -1.191 -7.572 1.00 0.00 C ATOM 346 CG2 VAL A 23 6.817 -2.339 -9.206 1.00 0.00 C ATOM 0 H VAL A 23 6.501 0.516 -10.815 1.00 0.00 H new ATOM 0 HA VAL A 23 5.879 -0.184 -7.961 1.00 0.00 H new ATOM 0 HB VAL A 23 8.219 -0.784 -9.673 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.043 -2.029 -7.684 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.922 -0.280 -7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.684 -1.382 -6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.548 -3.145 -9.269 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.088 -2.570 -8.430 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.307 -2.236 -10.164 1.00 0.00 H new ATOM 356 N LEU A 24 6.606 2.187 -7.564 1.00 0.00 N ATOM 357 CA LEU A 24 7.100 3.449 -7.155 1.00 0.00 C ATOM 358 C LEU A 24 7.435 3.400 -5.661 1.00 0.00 C ATOM 359 O LEU A 24 6.744 2.871 -4.791 1.00 0.00 O ATOM 360 CB LEU A 24 6.021 4.472 -7.402 1.00 0.00 C ATOM 361 CG LEU A 24 6.521 5.691 -8.202 1.00 0.00 C ATOM 362 CD1 LEU A 24 6.035 5.526 -9.640 1.00 0.00 C ATOM 363 CD2 LEU A 24 5.918 7.009 -7.700 1.00 0.00 C ATOM 0 H LEU A 24 5.761 1.887 -7.077 1.00 0.00 H new ATOM 0 HA LEU A 24 8.001 3.709 -7.711 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.199 4.002 -7.942 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.622 4.810 -6.446 1.00 0.00 H new ATOM 0 HG LEU A 24 7.606 5.732 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.371 6.373 -10.237 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.440 4.604 -10.057 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.946 5.482 -9.653 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.303 7.836 -8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.832 6.970 -7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.190 7.159 -6.655 1.00 0.00 H new ATOM 375 N GLN A 25 8.523 4.067 -5.375 1.00 0.00 N ATOM 376 CA GLN A 25 8.866 4.267 -3.980 1.00 0.00 C ATOM 377 C GLN A 25 8.773 5.739 -3.685 1.00 0.00 C ATOM 378 O GLN A 25 9.786 6.440 -3.614 1.00 0.00 O ATOM 379 CB GLN A 25 10.222 3.673 -3.608 1.00 0.00 C ATOM 380 CG GLN A 25 10.335 2.155 -3.884 1.00 0.00 C ATOM 381 CD GLN A 25 9.331 1.324 -3.094 1.00 0.00 C ATOM 382 OE1 GLN A 25 9.363 1.271 -1.877 1.00 0.00 O ATOM 383 NE2 GLN A 25 8.435 0.605 -3.741 1.00 0.00 N ATOM 0 H GLN A 25 9.168 4.469 -6.055 1.00 0.00 H new ATOM 0 HA GLN A 25 8.158 3.725 -3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.001 4.193 -4.165 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.410 3.856 -2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.188 1.974 -4.949 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.344 1.822 -3.640 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.394 0.637 -4.760 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.783 0.016 -3.223 1.00 0.00 H new ATOM 392 N THR A 26 7.530 6.160 -3.446 1.00 0.00 N ATOM 393 CA THR A 26 7.166 7.486 -2.957 1.00 0.00 C ATOM 394 C THR A 26 6.458 7.366 -1.605 1.00 0.00 C ATOM 395 O THR A 26 6.328 6.263 -1.064 1.00 0.00 O ATOM 396 CB THR A 26 6.412 8.240 -4.071 1.00 0.00 C ATOM 397 OG1 THR A 26 6.111 9.540 -3.654 1.00 0.00 O ATOM 398 CG2 THR A 26 5.089 7.614 -4.518 1.00 0.00 C ATOM 0 H THR A 26 6.718 5.560 -3.595 1.00 0.00 H new ATOM 0 HA THR A 26 8.037 8.104 -2.741 1.00 0.00 H new ATOM 0 HB THR A 26 7.098 8.203 -4.917 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.634 10.011 -4.369 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.644 8.225 -5.304 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.272 6.610 -4.900 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.407 7.561 -3.670 1.00 0.00 H new ATOM 406 N THR A 27 6.045 8.468 -0.998 1.00 0.00 N ATOM 407 CA THR A 27 5.350 8.513 0.280 1.00 0.00 C ATOM 408 C THR A 27 4.260 9.572 0.078 1.00 0.00 C ATOM 409 O THR A 27 4.437 10.497 -0.714 1.00 0.00 O ATOM 410 CB THR A 27 6.299 8.807 1.447 1.00 0.00 C ATOM 411 OG1 THR A 27 6.790 10.113 1.370 1.00 0.00 O ATOM 412 CG2 THR A 27 7.489 7.856 1.578 1.00 0.00 C ATOM 0 H THR A 27 6.191 9.394 -1.399 1.00 0.00 H new ATOM 0 HA THR A 27 4.915 7.553 0.560 1.00 0.00 H new ATOM 0 HB THR A 27 5.680 8.661 2.333 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.392 10.281 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.098 8.150 2.433 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.127 6.838 1.723 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.092 7.901 0.671 1.00 0.00 H new ATOM 420 N CYS A 28 3.094 9.369 0.673 1.00 0.00 N ATOM 421 CA CYS A 28 1.886 10.085 0.281 1.00 0.00 C ATOM 422 C CYS A 28 1.090 10.543 1.465 1.00 0.00 C ATOM 423 O CYS A 28 1.004 9.827 2.460 1.00 0.00 O ATOM 424 CB CYS A 28 1.052 9.127 -0.510 1.00 0.00 C ATOM 425 SG CYS A 28 -0.197 9.994 -1.491 1.00 0.00 S ATOM 0 H CYS A 28 2.957 8.707 1.437 1.00 0.00 H new ATOM 0 HA CYS A 28 2.165 10.971 -0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.693 8.542 -1.169 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.563 8.424 0.165 1.00 0.00 H new ATOM 0 HG CYS A 28 -0.897 9.130 -2.164 1.00 0.00 H new ATOM 431 N THR A 29 0.542 11.748 1.350 1.00 0.00 N ATOM 432 CA THR A 29 0.261 12.536 2.541 1.00 0.00 C ATOM 433 C THR A 29 -1.217 12.766 2.760 1.00 0.00 C ATOM 434 O THR A 29 -1.833 13.548 2.039 1.00 0.00 O ATOM 435 CB THR A 29 0.971 13.895 2.497 1.00 0.00 C ATOM 436 OG1 THR A 29 2.298 13.755 2.042 1.00 0.00 O ATOM 437 CG2 THR A 29 0.969 14.584 3.868 1.00 0.00 C ATOM 0 H THR A 29 0.289 12.191 0.467 1.00 0.00 H new ATOM 0 HA THR A 29 0.643 11.946 3.374 1.00 0.00 H new ATOM 0 HB THR A 29 0.415 14.520 1.798 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.731 14.634 2.020 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.481 15.543 3.794 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.059 14.746 4.192 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.483 13.953 4.593 1.00 0.00 H new ATOM 445 N VAL A 30 -1.726 12.089 3.784 1.00 0.00 N ATOM 446 CA VAL A 30 -3.154 11.907 4.106 1.00 0.00 C ATOM 447 C VAL A 30 -3.306 11.609 5.620 1.00 0.00 C ATOM 448 O VAL A 30 -2.348 11.168 6.242 1.00 0.00 O ATOM 449 CB VAL A 30 -3.811 10.823 3.197 1.00 0.00 C ATOM 450 CG1 VAL A 30 -5.344 10.874 3.297 1.00 0.00 C ATOM 451 CG2 VAL A 30 -3.528 10.981 1.685 1.00 0.00 C ATOM 0 H VAL A 30 -1.122 11.620 4.459 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.696 12.829 3.894 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.372 9.896 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.776 10.108 2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.647 10.695 4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.697 11.855 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.026 10.182 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.904 11.945 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.454 10.927 1.508 1.00 0.00 H new ATOM 461 N ASP A 31 -4.446 11.932 6.246 1.00 0.00 N ATOM 462 CA ASP A 31 -4.682 11.883 7.727 1.00 0.00 C ATOM 463 C ASP A 31 -3.725 12.799 8.521 1.00 0.00 C ATOM 464 O ASP A 31 -3.401 12.553 9.689 1.00 0.00 O ATOM 465 CB ASP A 31 -4.643 10.439 8.284 1.00 0.00 C ATOM 466 CG ASP A 31 -5.949 9.642 8.133 1.00 0.00 C ATOM 467 OD1 ASP A 31 -7.034 10.288 8.299 1.00 0.00 O ATOM 468 OD2 ASP A 31 -5.861 8.406 8.037 1.00 0.00 O1- ATOM 0 H ASP A 31 -5.269 12.248 5.732 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.691 12.269 7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.844 9.894 7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.383 10.482 9.342 1.00 0.00 H new ATOM 473 N ARG A 32 -3.195 13.843 7.864 1.00 0.00 N ATOM 474 CA ARG A 32 -2.168 14.747 8.401 1.00 0.00 C ATOM 475 C ARG A 32 -0.838 13.986 8.613 1.00 0.00 C ATOM 476 O ARG A 32 0.023 14.393 9.391 1.00 0.00 O ATOM 477 CB ARG A 32 -2.604 15.430 9.716 1.00 0.00 C ATOM 478 CG ARG A 32 -4.057 15.925 9.721 1.00 0.00 C ATOM 479 CD ARG A 32 -4.480 16.405 11.111 1.00 0.00 C ATOM 480 NE ARG A 32 -4.233 17.843 11.255 1.00 0.00 N ATOM 481 CZ ARG A 32 -5.068 18.817 10.888 1.00 0.00 C ATOM 482 NH1 ARG A 32 -6.302 18.544 10.505 1.00 0.00 N ATOM 483 NH2 ARG A 32 -4.699 20.085 10.893 1.00 0.00 N ATOM 0 H ARG A 32 -3.479 14.088 6.915 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.024 15.535 7.662 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.469 14.727 10.538 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.944 16.276 9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.168 16.739 9.004 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.718 15.121 9.396 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.538 16.194 11.269 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.928 15.857 11.875 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.345 18.123 11.672 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.628 17.578 10.487 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.929 19.299 10.227 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.755 20.340 11.182 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.358 20.809 10.607 1.00 0.00 H new ATOM 497 N LYS A 33 -0.741 12.812 7.992 1.00 0.00 N ATOM 498 CA LYS A 33 0.284 11.778 8.085 1.00 0.00 C ATOM 499 C LYS A 33 0.826 11.536 6.688 1.00 0.00 C ATOM 500 O LYS A 33 0.258 11.971 5.685 1.00 0.00 O ATOM 501 CB LYS A 33 -0.308 10.465 8.651 1.00 0.00 C ATOM 502 CG LYS A 33 0.486 9.887 9.834 1.00 0.00 C ATOM 503 CD LYS A 33 1.403 8.682 9.564 1.00 0.00 C ATOM 504 CE LYS A 33 0.711 7.472 8.912 1.00 0.00 C ATOM 505 NZ LYS A 33 -0.437 6.956 9.688 1.00 0.00 N ATOM 0 H LYS A 33 -1.467 12.531 7.333 1.00 0.00 H new ATOM 0 HA LYS A 33 1.077 12.104 8.758 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.335 10.647 8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.348 9.722 7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.099 10.687 10.249 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.227 9.599 10.606 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.221 9.004 8.920 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.846 8.363 10.507 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.368 7.753 7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.441 6.672 8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.246 5.976 9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.580 7.547 10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.294 6.981 9.099 1.00 0.00 H new ATOM 519 N VAL A 34 1.954 10.860 6.624 1.00 0.00 N ATOM 520 CA VAL A 34 2.525 10.370 5.376 1.00 0.00 C ATOM 521 C VAL A 34 2.560 8.844 5.460 1.00 0.00 C ATOM 522 O VAL A 34 2.879 8.292 6.509 1.00 0.00 O ATOM 523 CB VAL A 34 3.923 10.972 5.229 1.00 0.00 C ATOM 524 CG1 VAL A 34 4.793 10.277 4.179 1.00 0.00 C ATOM 525 CG2 VAL A 34 3.903 12.483 4.951 1.00 0.00 C ATOM 0 H VAL A 34 2.512 10.630 7.446 1.00 0.00 H new ATOM 0 HA VAL A 34 1.940 10.658 4.502 1.00 0.00 H new ATOM 0 HB VAL A 34 4.377 10.800 6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.768 10.762 4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.921 9.229 4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.310 10.344 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.925 12.849 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.362 12.675 4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.407 12.998 5.774 1.00 0.00 H new ATOM 535 N TYR A 35 2.246 8.189 4.349 1.00 0.00 N ATOM 536 CA TYR A 35 2.278 6.735 4.209 1.00 0.00 C ATOM 537 C TYR A 35 3.223 6.345 3.110 1.00 0.00 C ATOM 538 O TYR A 35 3.182 6.897 2.011 1.00 0.00 O ATOM 539 CB TYR A 35 0.926 6.214 3.774 1.00 0.00 C ATOM 540 CG TYR A 35 -0.126 6.537 4.759 1.00 0.00 C ATOM 541 CD1 TYR A 35 -0.340 5.653 5.826 1.00 0.00 C ATOM 542 CD2 TYR A 35 -0.821 7.747 4.629 1.00 0.00 C ATOM 543 CE1 TYR A 35 -1.366 5.940 6.740 1.00 0.00 C ATOM 544 CE2 TYR A 35 -1.809 8.057 5.573 1.00 0.00 C ATOM 545 CZ TYR A 35 -2.114 7.134 6.608 1.00 0.00 C ATOM 546 OH TYR A 35 -3.113 7.412 7.485 1.00 0.00 O ATOM 0 H TYR A 35 1.954 8.666 3.496 1.00 0.00 H new ATOM 0 HA TYR A 35 2.577 6.327 5.174 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.664 6.644 2.807 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.979 5.134 3.639 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.271 4.770 5.942 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.600 8.426 3.819 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.584 5.251 7.542 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.338 8.997 5.513 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.184 6.687 8.141 1.00 0.00 H new ATOM 556 N LYS A 36 4.063 5.358 3.352 1.00 0.00 N ATOM 557 CA LYS A 36 5.069 5.011 2.371 1.00 0.00 C ATOM 558 C LYS A 36 4.503 4.041 1.327 1.00 0.00 C ATOM 559 O LYS A 36 3.928 3.025 1.712 1.00 0.00 O ATOM 560 CB LYS A 36 6.309 4.492 3.090 1.00 0.00 C ATOM 561 CG LYS A 36 6.782 5.264 4.343 1.00 0.00 C ATOM 562 CD LYS A 36 7.911 4.540 5.101 1.00 0.00 C ATOM 563 CE LYS A 36 9.201 4.350 4.279 1.00 0.00 C ATOM 564 NZ LYS A 36 10.357 5.089 4.848 1.00 0.00 N ATOM 0 H LYS A 36 4.070 4.793 4.201 1.00 0.00 H new ATOM 0 HA LYS A 36 5.371 5.894 1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.121 3.459 3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.131 4.476 2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.128 6.254 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.936 5.411 5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.148 5.104 6.003 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.550 3.563 5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.442 3.288 4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.028 4.686 3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.197 4.927 4.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.141 6.106 4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.543 4.752 5.814 1.00 0.00 H new ATOM 578 N THR A 37 4.595 4.430 0.048 1.00 0.00 N ATOM 579 CA THR A 37 3.951 3.809 -1.092 1.00 0.00 C ATOM 580 C THR A 37 4.904 2.781 -1.679 1.00 0.00 C ATOM 581 O THR A 37 6.119 2.947 -1.598 1.00 0.00 O ATOM 582 CB THR A 37 3.500 4.812 -2.157 1.00 0.00 C ATOM 583 OG1 THR A 37 4.630 5.126 -2.923 1.00 0.00 O ATOM 584 CG2 THR A 37 2.976 6.151 -1.612 1.00 0.00 C ATOM 0 H THR A 37 5.158 5.236 -0.223 1.00 0.00 H new ATOM 0 HA THR A 37 3.036 3.329 -0.744 1.00 0.00 H new ATOM 0 HB THR A 37 2.681 4.339 -2.699 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.470 4.879 -3.858 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.682 6.792 -2.443 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.114 5.970 -0.970 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.761 6.641 -1.036 1.00 0.00 H new ATOM 592 N ILE A 38 4.323 1.748 -2.266 1.00 0.00 N ATOM 593 CA ILE A 38 5.055 0.643 -2.885 1.00 0.00 C ATOM 594 C ILE A 38 4.893 0.661 -4.376 1.00 0.00 C ATOM 595 O ILE A 38 5.757 0.231 -5.127 1.00 0.00 O ATOM 596 CB ILE A 38 4.491 -0.717 -2.448 1.00 0.00 C ATOM 597 CG1 ILE A 38 3.859 -0.701 -1.033 1.00 0.00 C ATOM 598 CG2 ILE A 38 5.765 -1.602 -2.422 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.337 -2.094 -0.680 1.00 0.00 C ATOM 0 H ILE A 38 3.310 1.647 -2.330 1.00 0.00 H new ATOM 0 HA ILE A 38 6.094 0.769 -2.580 1.00 0.00 H new ATOM 0 HB ILE A 38 3.691 -1.050 -3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.599 -0.384 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.044 0.022 -0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.498 -2.615 -2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.212 -1.625 -3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.481 -1.189 -1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.894 -2.075 0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.583 -2.395 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.162 -2.807 -0.697 1.00 0.00 H new ATOM 611 N CYS A 39 3.717 1.097 -4.790 1.00 0.00 N ATOM 612 CA CYS A 39 3.274 0.878 -6.163 1.00 0.00 C ATOM 613 C CYS A 39 2.170 1.833 -6.421 1.00 0.00 C ATOM 614 O CYS A 39 1.284 2.029 -5.588 1.00 0.00 O ATOM 615 CB CYS A 39 2.810 -0.575 -6.473 1.00 0.00 C ATOM 616 SG CYS A 39 1.654 -1.268 -5.264 1.00 0.00 S ATOM 0 H CYS A 39 3.053 1.602 -4.203 1.00 0.00 H new ATOM 0 HA CYS A 39 4.129 1.039 -6.820 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.340 -0.591 -7.456 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.688 -1.219 -6.528 1.00 0.00 H new ATOM 0 HG CYS A 39 0.435 -0.982 -5.615 1.00 0.00 H new ATOM 622 N LYS A 40 2.210 2.334 -7.640 1.00 0.00 N ATOM 623 CA LYS A 40 1.211 3.152 -8.214 1.00 0.00 C ATOM 624 C LYS A 40 0.519 2.515 -9.401 1.00 0.00 C ATOM 625 O LYS A 40 1.139 2.140 -10.396 1.00 0.00 O ATOM 626 CB LYS A 40 1.877 4.453 -8.611 1.00 0.00 C ATOM 627 CG LYS A 40 0.894 5.561 -8.978 1.00 0.00 C ATOM 628 CD LYS A 40 1.579 6.609 -9.891 1.00 0.00 C ATOM 629 CE LYS A 40 1.667 6.193 -11.380 1.00 0.00 C ATOM 630 NZ LYS A 40 2.436 7.194 -12.188 1.00 0.00 N ATOM 0 H LYS A 40 2.990 2.160 -8.274 1.00 0.00 H new ATOM 0 HA LYS A 40 0.421 3.313 -7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.505 4.795 -7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.536 4.269 -9.460 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.029 5.135 -9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.525 6.043 -8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.032 7.549 -9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.586 6.797 -9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.146 5.217 -11.458 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.662 6.089 -11.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.475 6.883 -13.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.965 8.120 -12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.402 7.275 -11.812 1.00 0.00 H new ATOM 644 N ARG A 41 -0.797 2.496 -9.330 1.00 0.00 N ATOM 645 CA ARG A 41 -1.653 2.202 -10.471 1.00 0.00 C ATOM 646 C ARG A 41 -2.651 3.319 -10.532 1.00 0.00 C ATOM 647 O ARG A 41 -3.365 3.511 -9.554 1.00 0.00 O ATOM 648 CB ARG A 41 -2.396 0.874 -10.355 1.00 0.00 C ATOM 649 CG ARG A 41 -3.481 0.697 -11.440 1.00 0.00 C ATOM 650 CD ARG A 41 -4.890 0.839 -10.870 1.00 0.00 C ATOM 651 NE ARG A 41 -5.834 1.373 -11.895 1.00 0.00 N ATOM 652 CZ ARG A 41 -7.084 1.760 -11.613 1.00 0.00 C ATOM 653 NH1 ARG A 41 -7.686 1.472 -10.477 1.00 0.00 N ATOM 654 NH2 ARG A 41 -7.746 2.469 -12.491 1.00 0.00 N ATOM 0 H ARG A 41 -1.312 2.686 -8.470 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.036 2.118 -11.366 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.680 0.055 -10.427 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.859 0.807 -9.371 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.332 1.437 -12.226 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.374 -0.284 -11.902 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.242 -0.130 -10.517 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.871 1.505 -10.007 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.510 1.447 -12.859 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.198 0.930 -9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.641 1.791 -10.311 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.309 2.720 -13.378 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.699 2.770 -12.289 1.00 0.00 H new ATOM 668 N GLY A 42 -2.717 4.008 -11.677 1.00 0.00 N ATOM 669 CA GLY A 42 -3.759 4.983 -11.904 1.00 0.00 C ATOM 670 C GLY A 42 -3.516 6.211 -11.064 1.00 0.00 C ATOM 671 O GLY A 42 -2.397 6.720 -11.018 1.00 0.00 O ATOM 0 H GLY A 42 -2.059 3.901 -12.449 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.788 5.255 -12.959 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.730 4.552 -11.659 1.00 0.00 H new ATOM 675 N ASN A 43 -4.552 6.630 -10.325 1.00 0.00 N ATOM 676 CA ASN A 43 -4.439 7.590 -9.211 1.00 0.00 C ATOM 677 C ASN A 43 -4.097 6.952 -7.842 1.00 0.00 C ATOM 678 O ASN A 43 -4.063 7.628 -6.815 1.00 0.00 O ATOM 679 CB ASN A 43 -5.758 8.370 -9.148 1.00 0.00 C ATOM 680 CG ASN A 43 -7.048 7.551 -9.084 1.00 0.00 C ATOM 681 OD1 ASN A 43 -7.099 6.474 -8.329 1.00 0.00 O flip ATOM 682 ND2 ASN A 43 -8.015 7.845 -9.777 1.00 0.00 N flip ATOM 0 H ASN A 43 -5.507 6.309 -10.484 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.592 8.246 -9.412 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.726 9.020 -8.273 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.811 9.017 -10.024 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.986 8.677 -10.366 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.849 7.257 -9.765 1.00 0.00 H new ATOM 689 N THR A 44 -3.941 5.629 -7.850 1.00 0.00 N ATOM 690 CA THR A 44 -3.896 4.741 -6.663 1.00 0.00 C ATOM 691 C THR A 44 -2.442 4.400 -6.340 1.00 0.00 C ATOM 692 O THR A 44 -1.608 4.305 -7.240 1.00 0.00 O ATOM 693 CB THR A 44 -4.749 3.484 -6.913 1.00 0.00 C ATOM 694 OG1 THR A 44 -5.962 3.825 -7.543 1.00 0.00 O ATOM 695 CG2 THR A 44 -5.183 2.737 -5.671 1.00 0.00 C ATOM 0 H THR A 44 -3.836 5.110 -8.722 1.00 0.00 H new ATOM 0 HA THR A 44 -4.319 5.249 -5.797 1.00 0.00 H new ATOM 0 HB THR A 44 -4.088 2.855 -7.510 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.080 4.798 -7.520 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.778 1.870 -5.957 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.303 2.407 -5.119 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.781 3.395 -5.041 1.00 0.00 H new ATOM 703 N TYR A 45 -2.113 4.286 -5.052 1.00 0.00 N ATOM 704 CA TYR A 45 -0.802 4.258 -4.439 1.00 0.00 C ATOM 705 C TYR A 45 -1.019 3.407 -3.200 1.00 0.00 C ATOM 706 O TYR A 45 -1.745 3.759 -2.265 1.00 0.00 O ATOM 707 CB TYR A 45 -0.300 5.639 -3.990 1.00 0.00 C ATOM 708 CG TYR A 45 0.138 6.559 -5.102 1.00 0.00 C ATOM 709 CD1 TYR A 45 -0.851 7.232 -5.832 1.00 0.00 C ATOM 710 CD2 TYR A 45 1.497 6.757 -5.398 1.00 0.00 C ATOM 711 CE1 TYR A 45 -0.522 8.181 -6.817 1.00 0.00 C ATOM 712 CE2 TYR A 45 1.838 7.677 -6.411 1.00 0.00 C ATOM 713 CZ TYR A 45 0.838 8.416 -7.099 1.00 0.00 C ATOM 714 OH TYR A 45 1.184 9.353 -8.029 1.00 0.00 O ATOM 0 H TYR A 45 -2.844 4.203 -4.345 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.058 3.889 -5.145 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.093 6.130 -3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.537 5.498 -3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.891 7.017 -5.634 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.263 6.217 -4.862 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.296 8.718 -7.346 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.877 7.822 -6.668 1.00 0.00 H new ATOM 0 HH TYR A 45 2.160 9.394 -8.105 1.00 0.00 H new ATOM 724 N LEU A 46 -0.488 2.208 -3.245 1.00 0.00 N ATOM 725 CA LEU A 46 -0.606 1.284 -2.152 1.00 0.00 C ATOM 726 C LEU A 46 0.470 1.635 -1.125 1.00 0.00 C ATOM 727 O LEU A 46 1.606 1.868 -1.524 1.00 0.00 O ATOM 728 CB LEU A 46 -0.381 -0.092 -2.733 1.00 0.00 C ATOM 729 CG LEU A 46 -1.046 -1.111 -1.802 1.00 0.00 C ATOM 730 CD1 LEU A 46 -2.536 -1.266 -2.159 1.00 0.00 C ATOM 731 CD2 LEU A 46 -0.324 -2.436 -1.835 1.00 0.00 C ATOM 0 H LEU A 46 0.037 1.849 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.578 1.323 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.805 -0.157 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.685 -0.298 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.981 -0.739 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.997 -1.993 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.038 -0.304 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.629 -1.611 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.820 -3.137 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.338 -2.833 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.708 -2.296 -1.515 1.00 0.00 H new ATOM 743 N CYS A 47 0.147 1.708 0.163 1.00 0.00 N ATOM 744 CA CYS A 47 1.042 2.218 1.204 1.00 0.00 C ATOM 745 C CYS A 47 0.915 1.451 2.539 1.00 0.00 C ATOM 746 O CYS A 47 0.054 0.585 2.669 1.00 0.00 O ATOM 747 CB CYS A 47 0.753 3.716 1.446 1.00 0.00 C ATOM 748 SG CYS A 47 0.280 4.643 -0.041 1.00 0.00 S ATOM 0 H CYS A 47 -0.760 1.410 0.522 1.00 0.00 H new ATOM 0 HA CYS A 47 2.061 2.073 0.845 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.045 3.804 2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.640 4.178 1.880 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.660 4.003 -0.671 1.00 0.00 H new ATOM 754 N PHE A 48 1.730 1.775 3.544 1.00 0.00 N ATOM 755 CA PHE A 48 1.755 1.030 4.811 1.00 0.00 C ATOM 756 C PHE A 48 2.254 1.830 6.021 1.00 0.00 C ATOM 757 O PHE A 48 2.997 2.805 5.861 1.00 0.00 O ATOM 758 CB PHE A 48 2.564 -0.256 4.602 1.00 0.00 C ATOM 759 CG PHE A 48 4.062 -0.090 4.464 1.00 0.00 C ATOM 760 CD1 PHE A 48 4.627 0.252 3.221 1.00 0.00 C ATOM 761 CD2 PHE A 48 4.892 -0.374 5.561 1.00 0.00 C ATOM 762 CE1 PHE A 48 6.022 0.303 3.068 1.00 0.00 C ATOM 763 CE2 PHE A 48 6.285 -0.371 5.405 1.00 0.00 C ATOM 764 CZ PHE A 48 6.852 -0.032 4.160 1.00 0.00 C ATOM 0 H PHE A 48 2.388 2.554 3.507 1.00 0.00 H new ATOM 0 HA PHE A 48 0.722 0.796 5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.369 -0.923 5.442 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.191 -0.753 3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.985 0.476 2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.457 -0.595 6.525 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.456 0.596 2.123 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.923 -0.628 6.238 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.925 -0.028 4.041 1.00 0.00 H new ATOM 774 N ASP A 49 1.876 1.378 7.232 1.00 0.00 N ATOM 775 CA ASP A 49 2.424 1.857 8.526 1.00 0.00 C ATOM 776 C ASP A 49 2.954 0.651 9.359 1.00 0.00 C ATOM 777 O ASP A 49 3.284 -0.389 8.799 1.00 0.00 O ATOM 778 CB ASP A 49 1.359 2.565 9.397 1.00 0.00 C ATOM 779 CG ASP A 49 0.773 3.899 8.934 1.00 0.00 C ATOM 780 OD1 ASP A 49 -0.274 4.299 9.503 1.00 0.00 O ATOM 781 OD2 ASP A 49 1.427 4.622 8.155 1.00 0.00 O1- ATOM 0 H ASP A 49 1.166 0.654 7.346 1.00 0.00 H new ATOM 0 HA ASP A 49 3.216 2.563 8.277 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.529 1.871 9.526 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.797 2.725 10.382 1.00 0.00 H new ATOM 786 N ASP A 50 2.964 0.776 10.693 1.00 0.00 N ATOM 787 CA ASP A 50 3.157 -0.351 11.625 1.00 0.00 C ATOM 788 C ASP A 50 1.956 -1.289 11.784 1.00 0.00 C ATOM 789 O ASP A 50 2.118 -2.439 12.203 1.00 0.00 O ATOM 790 CB ASP A 50 3.554 0.134 13.037 1.00 0.00 C ATOM 791 CG ASP A 50 5.050 0.331 13.283 1.00 0.00 C ATOM 792 OD1 ASP A 50 5.759 -0.669 13.541 1.00 0.00 O ATOM 793 OD2 ASP A 50 5.478 1.508 13.276 1.00 0.00 O1- ATOM 0 H ASP A 50 2.837 1.672 11.164 1.00 0.00 H new ATOM 0 HA ASP A 50 3.959 -0.919 11.154 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.047 1.079 13.231 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.178 -0.585 13.765 1.00 0.00 H new ATOM 798 N THR A 51 0.736 -0.793 11.542 1.00 0.00 N ATOM 799 CA THR A 51 -0.510 -1.480 11.919 1.00 0.00 C ATOM 800 C THR A 51 -1.007 -2.400 10.822 1.00 0.00 C ATOM 801 O THR A 51 -1.613 -3.426 11.137 1.00 0.00 O ATOM 802 CB THR A 51 -1.621 -0.459 12.209 1.00 0.00 C ATOM 803 OG1 THR A 51 -1.522 0.587 11.265 1.00 0.00 O ATOM 804 CG2 THR A 51 -1.488 0.136 13.606 1.00 0.00 C ATOM 0 H THR A 51 0.583 0.101 11.076 1.00 0.00 H new ATOM 0 HA THR A 51 -0.280 -2.068 12.807 1.00 0.00 H new ATOM 0 HB THR A 51 -2.582 -0.968 12.144 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.420 0.891 11.018 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.291 0.853 13.774 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.551 -0.660 14.348 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.526 0.641 13.696 1.00 0.00 H new ATOM 812 N ASN A 52 -0.801 -2.016 9.558 1.00 0.00 N ATOM 813 CA ASN A 52 -1.381 -2.534 8.330 1.00 0.00 C ATOM 814 C ASN A 52 -1.006 -1.662 7.109 1.00 0.00 C ATOM 815 O ASN A 52 -0.319 -0.646 7.208 1.00 0.00 O ATOM 816 CB ASN A 52 -2.906 -2.746 8.423 1.00 0.00 C ATOM 817 CG ASN A 52 -3.692 -1.707 9.241 1.00 0.00 C ATOM 818 OD1 ASN A 52 -4.149 -1.973 10.335 1.00 0.00 O ATOM 819 ND2 ASN A 52 -3.915 -0.546 8.690 1.00 0.00 N ATOM 0 H ASN A 52 -0.154 -1.253 9.357 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.943 -3.521 8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.311 -2.762 7.411 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.089 -3.730 8.855 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.478 0.150 9.178 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.526 -0.334 7.771 1.00 0.00 H new ATOM 826 N LEU A 53 -1.522 -2.093 5.963 1.00 0.00 N ATOM 827 CA LEU A 53 -1.547 -1.367 4.713 1.00 0.00 C ATOM 828 C LEU A 53 -2.768 -0.457 4.544 1.00 0.00 C ATOM 829 O LEU A 53 -3.791 -0.612 5.219 1.00 0.00 O ATOM 830 CB LEU A 53 -1.430 -2.419 3.611 1.00 0.00 C ATOM 831 CG LEU A 53 0.047 -2.832 3.457 1.00 0.00 C ATOM 832 CD1 LEU A 53 0.327 -4.223 4.015 1.00 0.00 C ATOM 833 CD2 LEU A 53 0.459 -2.806 2.000 1.00 0.00 C ATOM 0 H LEU A 53 -1.957 -3.012 5.885 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.717 -0.662 4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.039 -3.289 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.808 -2.020 2.670 1.00 0.00 H new ATOM 0 HG LEU A 53 0.627 -2.108 4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.382 -4.463 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.082 -4.245 5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.282 -4.956 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.505 -3.101 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.162 -3.500 1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.331 -1.799 1.604 1.00 0.00 H new ATOM 845 N TYR A 54 -2.644 0.479 3.600 1.00 0.00 N ATOM 846 CA TYR A 54 -3.685 1.414 3.168 1.00 0.00 C ATOM 847 C TYR A 54 -3.569 1.588 1.639 1.00 0.00 C ATOM 848 O TYR A 54 -2.457 1.575 1.109 1.00 0.00 O ATOM 849 CB TYR A 54 -3.569 2.795 3.860 1.00 0.00 C ATOM 850 CG TYR A 54 -3.332 2.808 5.369 1.00 0.00 C ATOM 851 CD1 TYR A 54 -2.152 2.301 5.957 1.00 0.00 C ATOM 852 CD2 TYR A 54 -4.329 3.335 6.202 1.00 0.00 C ATOM 853 CE1 TYR A 54 -2.038 2.207 7.359 1.00 0.00 C ATOM 854 CE2 TYR A 54 -4.208 3.289 7.601 1.00 0.00 C ATOM 855 CZ TYR A 54 -3.070 2.699 8.189 1.00 0.00 C ATOM 856 OH TYR A 54 -2.996 2.595 9.545 1.00 0.00 O ATOM 0 H TYR A 54 -1.770 0.612 3.091 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.654 1.002 3.448 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.753 3.342 3.386 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.485 3.351 3.658 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.333 1.984 5.329 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.206 3.785 5.760 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.160 1.758 7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.985 3.705 8.225 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.194 3.059 9.865 1.00 0.00 H new ATOM 866 N ALA A 55 -4.660 1.786 0.893 1.00 0.00 N ATOM 867 CA ALA A 55 -4.567 2.308 -0.471 1.00 0.00 C ATOM 868 C ALA A 55 -4.938 3.786 -0.395 1.00 0.00 C ATOM 869 O ALA A 55 -6.098 4.108 -0.156 1.00 0.00 O ATOM 870 CB ALA A 55 -5.476 1.483 -1.408 1.00 0.00 C ATOM 0 H ALA A 55 -5.611 1.594 1.209 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.565 2.221 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.404 1.875 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.158 0.440 -1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.509 1.551 -1.065 1.00 0.00 H new ATOM 876 N ILE A 56 -3.984 4.672 -0.688 1.00 0.00 N ATOM 877 CA ILE A 56 -4.315 6.054 -0.984 1.00 0.00 C ATOM 878 C ILE A 56 -4.701 6.171 -2.471 1.00 0.00 C ATOM 879 O ILE A 56 -3.908 5.943 -3.387 1.00 0.00 O ATOM 880 CB ILE A 56 -3.211 7.024 -0.528 1.00 0.00 C ATOM 881 CG1 ILE A 56 -3.236 7.197 1.014 1.00 0.00 C ATOM 882 CG2 ILE A 56 -3.512 8.421 -1.115 1.00 0.00 C ATOM 883 CD1 ILE A 56 -2.365 6.236 1.801 1.00 0.00 C ATOM 0 H ILE A 56 -2.988 4.454 -0.725 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.184 6.361 -0.403 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.251 6.626 -0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.927 8.215 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.265 7.088 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.738 9.122 -0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.529 8.362 -2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.481 8.766 -0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.460 6.448 2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.684 5.212 1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.325 6.357 1.498 1.00 0.00 H new ATOM 895 N THR A 57 -6.003 6.392 -2.677 1.00 0.00 N ATOM 896 CA THR A 57 -6.664 6.450 -3.974 1.00 0.00 C ATOM 897 C THR A 57 -6.837 7.944 -4.175 1.00 0.00 C ATOM 898 O THR A 57 -7.842 8.530 -3.783 1.00 0.00 O ATOM 899 CB THR A 57 -7.971 5.638 -4.039 1.00 0.00 C ATOM 900 OG1 THR A 57 -7.769 4.340 -3.534 1.00 0.00 O ATOM 901 CG2 THR A 57 -8.552 5.527 -5.447 1.00 0.00 C ATOM 0 H THR A 57 -6.651 6.542 -1.904 1.00 0.00 H new ATOM 0 HA THR A 57 -6.093 5.982 -4.776 1.00 0.00 H new ATOM 0 HB THR A 57 -8.688 6.186 -3.428 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.609 3.837 -3.580 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.471 4.942 -5.416 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.769 6.524 -5.831 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.831 5.036 -6.100 1.00 0.00 H new ATOM 909 N GLY A 58 -5.774 8.554 -4.708 1.00 0.00 N ATOM 910 CA GLY A 58 -5.647 9.990 -4.903 1.00 0.00 C ATOM 911 C GLY A 58 -5.382 10.605 -3.540 1.00 0.00 C ATOM 912 O GLY A 58 -4.258 10.963 -3.246 1.00 0.00 O ATOM 0 H GLY A 58 -4.953 8.038 -5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.832 10.214 -5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.557 10.401 -5.341 1.00 0.00 H new ATOM 916 N ASP A 59 -6.475 10.756 -2.789 1.00 0.00 N ATOM 917 CA ASP A 59 -6.523 11.553 -1.507 1.00 0.00 C ATOM 918 C ASP A 59 -7.351 10.693 -0.487 1.00 0.00 C ATOM 919 O ASP A 59 -7.634 11.100 0.635 1.00 0.00 O ATOM 920 CB ASP A 59 -7.249 12.930 -1.784 1.00 0.00 C ATOM 921 CG ASP A 59 -6.722 14.199 -1.080 1.00 0.00 C ATOM 922 OD1 ASP A 59 -5.519 14.511 -1.237 1.00 0.00 O ATOM 923 OD2 ASP A 59 -7.553 15.000 -0.587 1.00 0.00 O1- ATOM 0 H ASP A 59 -7.372 10.335 -3.033 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.528 11.766 -1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.217 13.110 -2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.298 12.812 -1.511 1.00 0.00 H new ATOM 928 N VAL A 60 -7.835 9.508 -0.908 1.00 0.00 N ATOM 929 CA VAL A 60 -8.679 8.593 -0.125 1.00 0.00 C ATOM 930 C VAL A 60 -7.829 7.511 0.556 1.00 0.00 C ATOM 931 O VAL A 60 -7.385 6.565 -0.077 1.00 0.00 O ATOM 932 CB VAL A 60 -9.717 7.901 -1.035 1.00 0.00 C ATOM 933 CG1 VAL A 60 -10.510 6.780 -0.328 1.00 0.00 C ATOM 934 CG2 VAL A 60 -10.652 8.946 -1.661 1.00 0.00 C ATOM 0 H VAL A 60 -7.638 9.150 -1.843 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.189 9.187 0.634 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.159 7.402 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.220 6.339 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.821 6.011 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.050 7.197 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.380 8.446 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.174 9.487 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.067 9.648 -2.256 1.00 0.00 H new ATOM 944 N VAL A 61 -7.618 7.647 1.858 1.00 0.00 N ATOM 945 CA VAL A 61 -6.871 6.682 2.672 1.00 0.00 C ATOM 946 C VAL A 61 -7.757 5.493 3.025 1.00 0.00 C ATOM 947 O VAL A 61 -8.430 5.415 4.051 1.00 0.00 O ATOM 948 CB VAL A 61 -6.243 7.395 3.876 1.00 0.00 C ATOM 949 CG1 VAL A 61 -7.267 8.021 4.840 1.00 0.00 C ATOM 950 CG2 VAL A 61 -5.278 6.473 4.626 1.00 0.00 C ATOM 0 H VAL A 61 -7.965 8.443 2.393 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.038 6.263 2.107 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.681 8.230 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.742 8.505 5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.865 8.760 4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.920 7.242 5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.849 7.007 5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.817 5.596 4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.479 6.158 3.954 1.00 0.00 H new ATOM 960 N LEU A 62 -7.757 4.513 2.128 1.00 0.00 N ATOM 961 CA LEU A 62 -8.482 3.271 2.313 1.00 0.00 C ATOM 962 C LEU A 62 -7.622 2.292 3.131 1.00 0.00 C ATOM 963 O LEU A 62 -6.892 1.461 2.602 1.00 0.00 O ATOM 964 CB LEU A 62 -8.962 2.786 0.935 1.00 0.00 C ATOM 965 CG LEU A 62 -9.948 1.596 0.883 1.00 0.00 C ATOM 966 CD1 LEU A 62 -9.668 0.391 1.795 1.00 0.00 C ATOM 967 CD2 LEU A 62 -11.381 2.082 1.155 1.00 0.00 C ATOM 0 H LEU A 62 -7.248 4.563 1.246 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.387 3.386 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.432 3.630 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.082 2.515 0.352 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.807 1.216 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.442 -0.363 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.696 -0.035 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.668 0.715 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -12.066 1.235 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.428 2.541 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.666 2.815 0.400 1.00 0.00 H new ATOM 979 N LYS A 63 -7.737 2.418 4.442 1.00 0.00 N ATOM 980 CA LYS A 63 -7.183 1.517 5.466 1.00 0.00 C ATOM 981 C LYS A 63 -7.678 0.065 5.343 1.00 0.00 C ATOM 982 O LYS A 63 -8.884 -0.209 5.373 1.00 0.00 O ATOM 983 CB LYS A 63 -7.483 2.112 6.858 1.00 0.00 C ATOM 984 CG LYS A 63 -8.898 2.689 7.079 1.00 0.00 C ATOM 985 CD LYS A 63 -8.998 3.354 8.459 1.00 0.00 C ATOM 986 CE LYS A 63 -9.237 2.309 9.554 1.00 0.00 C ATOM 987 NZ LYS A 63 -10.693 2.166 9.800 1.00 0.00 N ATOM 0 H LYS A 63 -8.249 3.197 4.856 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.106 1.452 5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.313 1.335 7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.759 2.904 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.126 3.417 6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.638 1.893 6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.081 3.904 8.669 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.812 4.079 8.459 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.813 1.351 9.254 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.731 2.608 10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.851 1.456 10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.085 3.080 10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.165 1.862 8.925 1.00 0.00 H new ATOM 1001 N PHE A 64 -6.758 -0.900 5.271 1.00 0.00 N ATOM 1002 CA PHE A 64 -7.042 -2.332 5.260 1.00 0.00 C ATOM 1003 C PHE A 64 -6.967 -2.914 6.684 1.00 0.00 C ATOM 1004 O PHE A 64 -5.995 -2.681 7.387 1.00 0.00 O ATOM 1005 CB PHE A 64 -6.036 -3.030 4.358 1.00 0.00 C ATOM 1006 CG PHE A 64 -6.122 -2.628 2.900 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -5.002 -2.086 2.248 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -7.335 -2.777 2.206 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -5.076 -1.703 0.899 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -7.426 -2.364 0.871 1.00 0.00 C ATOM 1011 CZ PHE A 64 -6.301 -1.825 0.219 1.00 0.00 C ATOM 0 H PHE A 64 -5.760 -0.695 5.217 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.052 -2.493 4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.031 -2.818 4.722 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.183 -4.107 4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.076 -1.963 2.789 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.193 -3.208 2.700 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.204 -1.320 0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.362 -2.459 0.340 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.379 -1.503 -0.809 1.00 0.00 H new ATOM 1021 N ALA A 65 -7.903 -3.785 7.057 1.00 0.00 N ATOM 1022 CA ALA A 65 -7.804 -4.560 8.311 1.00 0.00 C ATOM 1023 C ALA A 65 -6.736 -5.657 8.316 1.00 0.00 C ATOM 1024 O ALA A 65 -6.601 -6.378 9.314 1.00 0.00 O ATOM 1025 CB ALA A 65 -9.160 -5.205 8.570 1.00 0.00 C ATOM 0 H ALA A 65 -8.744 -3.978 6.513 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.506 -3.854 9.086 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.117 -5.785 9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.920 -4.429 8.665 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.415 -5.863 7.739 1.00 0.00 H new ATOM 1031 N THR A 66 -6.062 -5.893 7.181 1.00 0.00 N ATOM 1032 CA THR A 66 -5.246 -7.071 6.932 1.00 0.00 C ATOM 1033 C THR A 66 -4.370 -6.806 5.741 1.00 0.00 C ATOM 1034 O THR A 66 -4.743 -6.149 4.775 1.00 0.00 O ATOM 1035 CB THR A 66 -6.104 -8.315 6.627 1.00 0.00 C ATOM 1036 OG1 THR A 66 -7.400 -8.248 7.173 1.00 0.00 O ATOM 1037 CG2 THR A 66 -5.505 -9.616 7.094 1.00 0.00 C ATOM 0 H THR A 66 -6.076 -5.245 6.393 1.00 0.00 H new ATOM 0 HA THR A 66 -4.660 -7.268 7.830 1.00 0.00 H new ATOM 0 HB THR A 66 -6.145 -8.304 5.538 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.894 -9.063 6.944 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.175 -10.437 6.839 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.542 -9.768 6.607 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.365 -9.585 8.175 1.00 0.00 H new ATOM 1045 N VAL A 67 -3.177 -7.341 5.824 1.00 0.00 N ATOM 1046 CA VAL A 67 -2.125 -6.872 4.943 1.00 0.00 C ATOM 1047 C VAL A 67 -2.329 -7.473 3.542 1.00 0.00 C ATOM 1048 O VAL A 67 -2.074 -6.855 2.518 1.00 0.00 O ATOM 1049 CB VAL A 67 -0.780 -7.185 5.599 1.00 0.00 C ATOM 1050 CG1 VAL A 67 -0.807 -6.887 7.110 1.00 0.00 C ATOM 1051 CG2 VAL A 67 -0.207 -8.554 5.241 1.00 0.00 C ATOM 0 H VAL A 67 -2.910 -8.082 6.472 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.150 -5.792 4.795 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.058 -6.496 5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.165 -7.121 7.544 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.031 -5.832 7.269 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.574 -7.497 7.587 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.747 -8.693 5.749 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.902 -9.333 5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.056 -8.615 4.163 1.00 0.00 H new ATOM 1061 N SER A 68 -2.896 -8.676 3.534 1.00 0.00 N ATOM 1062 CA SER A 68 -3.359 -9.411 2.359 1.00 0.00 C ATOM 1063 C SER A 68 -4.627 -8.838 1.716 1.00 0.00 C ATOM 1064 O SER A 68 -4.836 -9.062 0.522 1.00 0.00 O ATOM 1065 CB SER A 68 -3.485 -10.905 2.698 1.00 0.00 C ATOM 1066 OG SER A 68 -2.339 -11.366 3.409 1.00 0.00 O ATOM 0 H SER A 68 -3.054 -9.195 4.398 1.00 0.00 H new ATOM 0 HA SER A 68 -2.601 -9.289 1.585 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.380 -11.071 3.297 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.604 -11.481 1.780 1.00 0.00 H new ATOM 0 HG SER A 68 -2.443 -12.318 3.615 1.00 0.00 H new ATOM 1072 N LYS A 69 -5.429 -8.003 2.407 1.00 0.00 N ATOM 1073 CA LYS A 69 -6.431 -7.186 1.713 1.00 0.00 C ATOM 1074 C LYS A 69 -5.795 -6.322 0.620 1.00 0.00 C ATOM 1075 O LYS A 69 -6.298 -6.259 -0.493 1.00 0.00 O ATOM 1076 CB LYS A 69 -7.165 -6.254 2.671 1.00 0.00 C ATOM 1077 CG LYS A 69 -7.604 -6.880 3.997 1.00 0.00 C ATOM 1078 CD LYS A 69 -9.028 -6.494 4.326 1.00 0.00 C ATOM 1079 CE LYS A 69 -9.847 -7.586 3.627 1.00 0.00 C ATOM 1080 NZ LYS A 69 -11.297 -7.274 3.477 1.00 0.00 N ATOM 0 H LYS A 69 -5.401 -7.881 3.419 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.134 -7.892 1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.519 -5.403 2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.048 -5.863 2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.521 -7.965 3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.939 -6.553 4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.205 -6.482 5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.275 -5.501 3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.423 -7.763 2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.745 -8.514 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.774 -8.063 2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.721 -7.134 4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.409 -6.407 2.914 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.669 -5.684 0.947 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.889 -4.912 -0.021 1.00 0.00 C ATOM 1096 C ALA A 70 -3.393 -5.735 -1.250 1.00 0.00 C ATOM 1097 O ALA A 70 -3.283 -5.168 -2.336 1.00 0.00 O ATOM 1098 CB ALA A 70 -2.751 -4.255 0.763 1.00 0.00 C ATOM 0 H ALA A 70 -4.274 -5.688 1.887 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.525 -4.159 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.136 -3.664 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.167 -3.606 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.138 -5.026 1.230 1.00 0.00 H new ATOM 1104 N ARG A 71 -3.226 -7.065 -1.106 1.00 0.00 N ATOM 1105 CA ARG A 71 -2.903 -7.998 -2.208 1.00 0.00 C ATOM 1106 C ARG A 71 -4.087 -8.199 -3.142 1.00 0.00 C ATOM 1107 O ARG A 71 -3.966 -8.033 -4.354 1.00 0.00 O ATOM 1108 CB ARG A 71 -2.407 -9.351 -1.662 1.00 0.00 C ATOM 1109 CG ARG A 71 -1.690 -10.201 -2.731 1.00 0.00 C ATOM 1110 CD ARG A 71 -0.496 -11.003 -2.197 1.00 0.00 C ATOM 1111 NE ARG A 71 -0.884 -12.183 -1.393 1.00 0.00 N ATOM 1112 CZ ARG A 71 -0.167 -12.755 -0.426 1.00 0.00 C ATOM 1113 NH1 ARG A 71 0.981 -12.252 -0.028 1.00 0.00 N ATOM 1114 NH2 ARG A 71 -0.600 -13.835 0.194 1.00 0.00 N ATOM 0 H ARG A 71 -3.313 -7.531 -0.203 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.098 -7.545 -2.787 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.727 -9.174 -0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.255 -9.911 -1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.409 -10.891 -3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.345 -9.545 -3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.115 -11.332 -3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.127 -10.348 -1.588 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.791 -12.601 -1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.344 -11.403 -0.462 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.509 -12.711 0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.497 -14.246 -0.064 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.038 -14.259 0.932 1.00 0.00 H new ATOM 1128 N ALA A 72 -5.254 -8.481 -2.558 1.00 0.00 N ATOM 1129 CA ALA A 72 -6.495 -8.636 -3.299 1.00 0.00 C ATOM 1130 C ALA A 72 -6.979 -7.292 -3.891 1.00 0.00 C ATOM 1131 O ALA A 72 -7.612 -7.280 -4.943 1.00 0.00 O ATOM 1132 CB ALA A 72 -7.487 -9.285 -2.326 1.00 0.00 C ATOM 0 H ALA A 72 -5.359 -8.608 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.373 -9.272 -4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.445 -9.429 -2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.099 -10.250 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.623 -8.638 -1.460 1.00 0.00 H new ATOM 1138 N TYR A 73 -6.574 -6.162 -3.300 1.00 0.00 N ATOM 1139 CA TYR A 73 -6.896 -4.824 -3.787 1.00 0.00 C ATOM 1140 C TYR A 73 -6.107 -4.527 -5.062 1.00 0.00 C ATOM 1141 O TYR A 73 -6.640 -3.989 -6.017 1.00 0.00 O ATOM 1142 CB TYR A 73 -6.606 -3.771 -2.710 1.00 0.00 C ATOM 1143 CG TYR A 73 -7.116 -2.410 -3.132 1.00 0.00 C ATOM 1144 CD1 TYR A 73 -6.413 -1.677 -4.103 1.00 0.00 C ATOM 1145 CD2 TYR A 73 -8.366 -1.952 -2.676 1.00 0.00 C ATOM 1146 CE1 TYR A 73 -7.037 -0.602 -4.750 1.00 0.00 C ATOM 1147 CE2 TYR A 73 -8.957 -0.810 -3.245 1.00 0.00 C ATOM 1148 CZ TYR A 73 -8.325 -0.177 -4.339 1.00 0.00 C ATOM 1149 OH TYR A 73 -8.999 0.763 -5.054 1.00 0.00 O ATOM 0 H TYR A 73 -6.003 -6.156 -2.455 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.960 -4.783 -4.019 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.077 -4.065 -1.772 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.533 -3.720 -2.525 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.395 -1.941 -4.350 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.875 -2.481 -1.884 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.536 -0.097 -5.563 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.884 -0.421 -2.850 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.866 0.935 -4.632 1.00 0.00 H new ATOM 1159 N LEU A 74 -4.851 -4.948 -5.143 1.00 0.00 N ATOM 1160 CA LEU A 74 -4.036 -4.861 -6.348 1.00 0.00 C ATOM 1161 C LEU A 74 -4.663 -5.511 -7.591 1.00 0.00 C ATOM 1162 O LEU A 74 -4.356 -5.082 -8.700 1.00 0.00 O ATOM 1163 CB LEU A 74 -2.680 -5.513 -6.026 1.00 0.00 C ATOM 1164 CG LEU A 74 -1.487 -4.547 -6.066 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -1.661 -3.363 -5.111 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -0.216 -5.296 -5.659 1.00 0.00 C ATOM 0 H LEU A 74 -4.360 -5.369 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.936 -3.808 -6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.734 -5.964 -5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.502 -6.321 -6.735 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.420 -4.163 -7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.790 -2.711 -5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.556 -2.803 -5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.761 -3.731 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.633 -4.613 -5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.333 -5.689 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.042 -6.120 -6.351 1.00 0.00 H new ATOM 1178 N GLU A 75 -5.540 -6.500 -7.394 1.00 0.00 N ATOM 1179 CA GLU A 75 -6.385 -7.101 -8.432 1.00 0.00 C ATOM 1180 C GLU A 75 -7.889 -6.773 -8.279 1.00 0.00 C ATOM 1181 O GLU A 75 -8.706 -7.317 -9.022 1.00 0.00 O ATOM 1182 CB GLU A 75 -6.062 -8.600 -8.566 1.00 0.00 C ATOM 1183 CG GLU A 75 -5.896 -9.378 -7.248 1.00 0.00 C ATOM 1184 CD GLU A 75 -5.471 -10.823 -7.523 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -4.321 -11.061 -7.965 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -6.298 -11.742 -7.329 1.00 0.00 O1- ATOM 0 H GLU A 75 -5.687 -6.919 -6.476 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.138 -6.634 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.856 -9.072 -9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.143 -8.703 -9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.151 -8.887 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.834 -9.369 -6.694 1.00 0.00 H new