USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 16 TYR OH : rot 2:sc= 0.239 USER MOD Set 1.2: A 80 THR OG1 : rot 63:sc= 1.75 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= 0.827 F(o=-0.42,f=0.83) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -122:sc=-0.00603 (180deg=-0.263) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.353 X(o=0.35,f=0) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.301 F(o=-1.5,f=-0.3) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 144:sc= -1.4 (180deg=-1.79) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -43:sc= 0.23 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.791 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -3.51! C(o=-3.5!,f=-3.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0585 K(o=-0.058,f=-2) USER MOD Single : A 74 ASN : amide:sc= -4.05 K(o=-4.1,f=-8.2!) USER MOD Single : A 75 SER OG : rot 47:sc= 0.373 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.456 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 7.373 -5.178 17.308 1.00 0.00 N ATOM 67 CA ARG A 8 8.372 -5.233 16.248 1.00 0.00 C ATOM 68 C ARG A 8 7.881 -4.508 14.999 1.00 0.00 C ATOM 69 O ARG A 8 6.751 -4.711 14.556 1.00 0.00 O ATOM 70 CB ARG A 8 8.707 -6.686 15.908 1.00 0.00 C ATOM 71 CG ARG A 8 7.531 -7.466 15.343 1.00 0.00 C ATOM 72 CD ARG A 8 7.882 -8.931 15.135 1.00 0.00 C ATOM 73 NE ARG A 8 8.464 -9.172 13.818 1.00 0.00 N ATOM 74 CZ ARG A 8 8.939 -10.351 13.429 1.00 0.00 C ATOM 75 NH1 ARG A 8 8.899 -11.390 14.252 1.00 0.00 N ATOM 76 NH2 ARG A 8 9.453 -10.492 12.214 1.00 0.00 N ATOM 0 HA ARG A 8 9.272 -4.734 16.607 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.523 -6.702 15.186 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.066 -7.187 16.807 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.681 -7.387 16.021 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.224 -7.026 14.394 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.585 -9.248 15.905 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.985 -9.539 15.252 1.00 0.00 H new ATOM 0 HE ARG A 8 8.509 -8.393 13.161 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.503 -11.286 15.186 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.264 -12.294 13.951 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.484 -9.695 11.578 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.817 -11.397 11.916 1.00 0.00 H new ATOM 90 N MET A 9 8.737 -3.661 14.437 1.00 0.00 N ATOM 91 CA MET A 9 8.390 -2.906 13.238 1.00 0.00 C ATOM 92 C MET A 9 8.631 -3.738 11.983 1.00 0.00 C ATOM 93 O MET A 9 9.631 -4.451 11.880 1.00 0.00 O ATOM 94 CB MET A 9 9.204 -1.612 13.171 1.00 0.00 C ATOM 95 CG MET A 9 9.428 -0.964 14.527 1.00 0.00 C ATOM 96 SD MET A 9 7.972 -1.052 15.588 1.00 0.00 S ATOM 97 CE MET A 9 6.860 0.059 14.730 1.00 0.00 C ATOM 0 H MET A 9 9.676 -3.480 14.792 1.00 0.00 H new ATOM 0 HA MET A 9 7.330 -2.657 13.289 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.171 -1.824 12.715 1.00 0.00 H new ATOM 0 HB3 MET A 9 8.692 -0.904 12.519 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.266 -1.452 15.025 1.00 0.00 H new ATOM 0 HG3 MET A 9 9.707 0.080 14.385 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.912 0.111 15.266 1.00 0.00 H new ATOM 0 HE2 MET A 9 7.304 1.053 14.682 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.685 -0.310 13.719 1.00 0.00 H new ATOM 107 N LEU A 10 7.710 -3.644 11.030 1.00 0.00 N ATOM 108 CA LEU A 10 7.823 -4.389 9.781 1.00 0.00 C ATOM 109 C LEU A 10 8.132 -3.454 8.616 1.00 0.00 C ATOM 110 O LEU A 10 7.331 -2.582 8.277 1.00 0.00 O ATOM 111 CB LEU A 10 6.530 -5.157 9.504 1.00 0.00 C ATOM 112 CG LEU A 10 6.022 -6.049 10.638 1.00 0.00 C ATOM 113 CD1 LEU A 10 4.626 -6.564 10.328 1.00 0.00 C ATOM 114 CD2 LEU A 10 6.980 -7.207 10.875 1.00 0.00 C ATOM 0 H LEU A 10 6.877 -3.059 11.098 1.00 0.00 H new ATOM 0 HA LEU A 10 8.645 -5.098 9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.749 -4.437 9.257 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.682 -5.778 8.621 1.00 0.00 H new ATOM 0 HG LEU A 10 5.972 -5.453 11.549 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.282 -7.197 11.146 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.945 -5.721 10.210 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.649 -7.144 9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.603 -7.831 11.685 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.062 -7.803 9.966 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.962 -6.818 11.144 1.00 0.00 H new ATOM 126 N ASP A 11 9.296 -3.643 8.005 1.00 0.00 N ATOM 127 CA ASP A 11 9.710 -2.819 6.875 1.00 0.00 C ATOM 128 C ASP A 11 9.010 -3.263 5.594 1.00 0.00 C ATOM 129 O ASP A 11 9.327 -4.312 5.033 1.00 0.00 O ATOM 130 CB ASP A 11 11.227 -2.889 6.693 1.00 0.00 C ATOM 131 CG ASP A 11 11.710 -2.048 5.528 1.00 0.00 C ATOM 132 OD1 ASP A 11 11.533 -2.482 4.370 1.00 0.00 O ATOM 133 OD2 ASP A 11 12.265 -0.957 5.774 1.00 0.00 O ATOM 0 H ASP A 11 9.970 -4.360 8.273 1.00 0.00 H new ATOM 0 HA ASP A 11 9.425 -1.788 7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.716 -2.552 7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.524 -3.926 6.536 1.00 0.00 H new ATOM 138 N PHE A 12 8.057 -2.457 5.137 1.00 0.00 N ATOM 139 CA PHE A 12 7.310 -2.768 3.923 1.00 0.00 C ATOM 140 C PHE A 12 7.728 -1.850 2.778 1.00 0.00 C ATOM 141 O PHE A 12 7.381 -0.669 2.757 1.00 0.00 O ATOM 142 CB PHE A 12 5.807 -2.636 4.176 1.00 0.00 C ATOM 143 CG PHE A 12 5.222 -3.794 4.933 1.00 0.00 C ATOM 144 CD1 PHE A 12 4.964 -4.996 4.294 1.00 0.00 C ATOM 145 CD2 PHE A 12 4.930 -3.679 6.282 1.00 0.00 C ATOM 146 CE1 PHE A 12 4.426 -6.064 4.988 1.00 0.00 C ATOM 147 CE2 PHE A 12 4.392 -4.744 6.981 1.00 0.00 C ATOM 148 CZ PHE A 12 4.139 -5.937 6.333 1.00 0.00 C ATOM 0 H PHE A 12 7.784 -1.584 5.589 1.00 0.00 H new ATOM 0 HA PHE A 12 7.534 -3.797 3.641 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.620 -1.717 4.732 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.293 -2.541 3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.186 -5.100 3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.125 -2.748 6.793 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.230 -6.996 4.479 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.170 -4.643 8.033 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.717 -6.769 6.877 1.00 0.00 H new ATOM 158 N ARG A 13 8.476 -2.402 1.828 1.00 0.00 N ATOM 159 CA ARG A 13 8.943 -1.633 0.681 1.00 0.00 C ATOM 160 C ARG A 13 7.944 -1.712 -0.469 1.00 0.00 C ATOM 161 O ARG A 13 7.830 -2.739 -1.138 1.00 0.00 O ATOM 162 CB ARG A 13 10.309 -2.145 0.219 1.00 0.00 C ATOM 163 CG ARG A 13 10.766 -1.552 -1.104 1.00 0.00 C ATOM 164 CD ARG A 13 12.280 -1.597 -1.241 1.00 0.00 C ATOM 165 NE ARG A 13 12.738 -2.849 -1.837 1.00 0.00 N ATOM 166 CZ ARG A 13 13.960 -3.025 -2.329 1.00 0.00 C ATOM 167 NH1 ARG A 13 14.840 -2.034 -2.296 1.00 0.00 N ATOM 168 NH2 ARG A 13 14.302 -4.194 -2.856 1.00 0.00 N ATOM 0 H ARG A 13 8.771 -3.378 1.830 1.00 0.00 H new ATOM 0 HA ARG A 13 9.037 -0.591 0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.051 -1.918 0.985 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.268 -3.230 0.126 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.309 -2.101 -1.927 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.423 -0.520 -1.179 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.614 -0.760 -1.854 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.737 -1.474 -0.259 1.00 0.00 H new ATOM 0 HE ARG A 13 12.084 -3.631 -1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.580 -1.134 -1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.777 -2.171 -2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.627 -4.958 -2.884 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.240 -4.328 -3.233 1.00 0.00 H new ATOM 182 N VAL A 14 7.220 -0.619 -0.694 1.00 0.00 N ATOM 183 CA VAL A 14 6.231 -0.564 -1.763 1.00 0.00 C ATOM 184 C VAL A 14 6.848 -0.046 -3.057 1.00 0.00 C ATOM 185 O VAL A 14 7.062 1.156 -3.216 1.00 0.00 O ATOM 186 CB VAL A 14 5.040 0.335 -1.379 1.00 0.00 C ATOM 187 CG1 VAL A 14 3.983 0.316 -2.473 1.00 0.00 C ATOM 188 CG2 VAL A 14 4.450 -0.103 -0.047 1.00 0.00 C ATOM 0 H VAL A 14 7.301 0.240 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 14 5.874 -1.582 -1.917 1.00 0.00 H new ATOM 0 HB VAL A 14 5.399 1.359 -1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.149 0.956 -2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.416 0.682 -3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.625 -0.704 -2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.610 0.543 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.105 -1.134 -0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.212 -0.032 0.729 1.00 0.00 H new ATOM 198 N GLU A 15 7.132 -0.961 -3.978 1.00 0.00 N ATOM 199 CA GLU A 15 7.726 -0.595 -5.259 1.00 0.00 C ATOM 200 C GLU A 15 6.653 -0.153 -6.250 1.00 0.00 C ATOM 201 O GLU A 15 5.896 -0.974 -6.770 1.00 0.00 O ATOM 202 CB GLU A 15 8.514 -1.774 -5.836 1.00 0.00 C ATOM 203 CG GLU A 15 9.298 -1.426 -7.090 1.00 0.00 C ATOM 204 CD GLU A 15 9.703 -2.652 -7.884 1.00 0.00 C ATOM 205 OE1 GLU A 15 8.807 -3.320 -8.442 1.00 0.00 O ATOM 206 OE2 GLU A 15 10.915 -2.944 -7.948 1.00 0.00 O ATOM 0 H GLU A 15 6.961 -1.960 -3.862 1.00 0.00 H new ATOM 0 HA GLU A 15 8.406 0.240 -5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.204 -2.145 -5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.823 -2.586 -6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.696 -0.772 -7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.191 -0.867 -6.812 1.00 0.00 H new ATOM 213 N TYR A 16 6.593 1.149 -6.506 1.00 0.00 N ATOM 214 CA TYR A 16 5.611 1.702 -7.431 1.00 0.00 C ATOM 215 C TYR A 16 6.297 2.449 -8.571 1.00 0.00 C ATOM 216 O TYR A 16 7.437 2.896 -8.438 1.00 0.00 O ATOM 217 CB TYR A 16 4.655 2.640 -6.693 1.00 0.00 C ATOM 218 CG TYR A 16 3.518 3.145 -7.552 1.00 0.00 C ATOM 219 CD1 TYR A 16 2.857 2.297 -8.432 1.00 0.00 C ATOM 220 CD2 TYR A 16 3.105 4.470 -7.483 1.00 0.00 C ATOM 221 CE1 TYR A 16 1.818 2.754 -9.220 1.00 0.00 C ATOM 222 CE2 TYR A 16 2.066 4.935 -8.266 1.00 0.00 C ATOM 223 CZ TYR A 16 1.426 4.074 -9.133 1.00 0.00 C ATOM 224 OH TYR A 16 0.391 4.533 -9.915 1.00 0.00 O ATOM 0 H TYR A 16 7.213 1.841 -6.086 1.00 0.00 H new ATOM 0 HA TYR A 16 5.042 0.874 -7.854 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.243 2.119 -5.829 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.218 3.492 -6.312 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.161 1.263 -8.501 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.604 5.147 -6.806 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.316 2.082 -9.900 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.756 5.968 -8.200 1.00 0.00 H new ATOM 0 HH TYR A 16 0.029 3.793 -10.445 1.00 0.00 H new ATOM 234 N ARG A 17 5.594 2.582 -9.690 1.00 0.00 N ATOM 235 CA ARG A 17 6.134 3.275 -10.854 1.00 0.00 C ATOM 236 C ARG A 17 7.030 4.434 -10.429 1.00 0.00 C ATOM 237 O ARG A 17 8.254 4.360 -10.544 1.00 0.00 O ATOM 238 CB ARG A 17 4.998 3.792 -11.739 1.00 0.00 C ATOM 239 CG ARG A 17 4.187 2.688 -12.397 1.00 0.00 C ATOM 240 CD ARG A 17 3.015 3.251 -13.185 1.00 0.00 C ATOM 241 NE ARG A 17 3.385 3.571 -14.562 1.00 0.00 N ATOM 242 CZ ARG A 17 3.463 2.665 -15.531 1.00 0.00 C ATOM 243 NH1 ARG A 17 3.199 1.392 -15.275 1.00 0.00 N ATOM 244 NH2 ARG A 17 3.806 3.034 -16.758 1.00 0.00 N ATOM 0 H ARG A 17 4.649 2.219 -9.816 1.00 0.00 H new ATOM 0 HA ARG A 17 6.734 2.564 -11.423 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.332 4.410 -11.137 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.416 4.435 -12.514 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.829 2.110 -13.061 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.818 2.002 -11.634 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.199 2.528 -13.187 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.644 4.149 -12.691 1.00 0.00 H new ATOM 0 HE ARG A 17 3.595 4.542 -14.792 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.935 1.105 -14.332 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.260 0.699 -16.021 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.010 4.013 -16.958 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.866 2.339 -17.502 1.00 0.00 H new ATOM 258 N ASP A 18 6.413 5.504 -9.939 1.00 0.00 N ATOM 259 CA ASP A 18 7.154 6.679 -9.496 1.00 0.00 C ATOM 260 C ASP A 18 8.447 6.273 -8.795 1.00 0.00 C ATOM 261 O ASP A 18 9.541 6.627 -9.235 1.00 0.00 O ATOM 262 CB ASP A 18 6.294 7.527 -8.558 1.00 0.00 C ATOM 263 CG ASP A 18 5.429 6.683 -7.643 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.634 5.451 -7.604 1.00 0.00 O ATOM 265 OD2 ASP A 18 4.548 7.252 -6.967 1.00 0.00 O ATOM 0 H ASP A 18 5.401 5.582 -9.839 1.00 0.00 H new ATOM 0 HA ASP A 18 7.409 7.271 -10.375 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.940 8.165 -7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.658 8.185 -9.149 1.00 0.00 H new ATOM 270 N ARG A 19 8.312 5.531 -7.701 1.00 0.00 N ATOM 271 CA ARG A 19 9.469 5.079 -6.937 1.00 0.00 C ATOM 272 C ARG A 19 9.048 4.114 -5.832 1.00 0.00 C ATOM 273 O ARG A 19 7.863 3.836 -5.656 1.00 0.00 O ATOM 274 CB ARG A 19 10.205 6.275 -6.331 1.00 0.00 C ATOM 275 CG ARG A 19 9.504 6.873 -5.122 1.00 0.00 C ATOM 276 CD ARG A 19 8.319 7.733 -5.534 1.00 0.00 C ATOM 277 NE ARG A 19 8.066 8.810 -4.581 1.00 0.00 N ATOM 278 CZ ARG A 19 8.911 9.811 -4.362 1.00 0.00 C ATOM 279 NH1 ARG A 19 10.057 9.873 -5.026 1.00 0.00 N ATOM 280 NH2 ARG A 19 8.610 10.754 -3.478 1.00 0.00 N ATOM 0 H ARG A 19 7.413 5.230 -7.324 1.00 0.00 H new ATOM 0 HA ARG A 19 10.140 4.555 -7.617 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.209 5.964 -6.041 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.317 7.046 -7.093 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.163 6.073 -4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.211 7.475 -4.551 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.505 8.158 -6.520 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.430 7.108 -5.619 1.00 0.00 H new ATOM 0 HE ARG A 19 7.192 8.793 -4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.292 9.151 -5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.704 10.643 -4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.729 10.710 -2.966 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.260 11.522 -3.311 1.00 0.00 H new ATOM 294 N ASN A 20 10.029 3.607 -5.092 1.00 0.00 N ATOM 295 CA ASN A 20 9.760 2.672 -4.005 1.00 0.00 C ATOM 296 C ASN A 20 9.729 3.394 -2.662 1.00 0.00 C ATOM 297 O ASN A 20 10.721 3.989 -2.241 1.00 0.00 O ATOM 298 CB ASN A 20 10.820 1.569 -3.980 1.00 0.00 C ATOM 299 CG ASN A 20 12.194 2.079 -4.370 1.00 0.00 C ATOM 300 OD1 ASN A 20 12.775 1.481 -5.404 1.00 0.00 O flip ATOM 301 ND2 ASN A 20 12.726 2.999 -3.750 1.00 0.00 N flip ATOM 0 H ASN A 20 11.016 3.827 -5.225 1.00 0.00 H new ATOM 0 HA ASN A 20 8.782 2.223 -4.178 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.866 1.136 -2.981 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.525 0.770 -4.660 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.243 3.429 -2.962 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.650 3.331 -4.024 1.00 0.00 H new ATOM 308 N VAL A 21 8.582 3.337 -1.992 1.00 0.00 N ATOM 309 CA VAL A 21 8.421 3.983 -0.695 1.00 0.00 C ATOM 310 C VAL A 21 8.503 2.968 0.439 1.00 0.00 C ATOM 311 O VAL A 21 8.021 1.842 0.314 1.00 0.00 O ATOM 312 CB VAL A 21 7.078 4.731 -0.604 1.00 0.00 C ATOM 313 CG1 VAL A 21 5.915 3.755 -0.697 1.00 0.00 C ATOM 314 CG2 VAL A 21 7.005 5.539 0.683 1.00 0.00 C ATOM 0 H VAL A 21 7.751 2.850 -2.326 1.00 0.00 H new ATOM 0 HA VAL A 21 9.236 4.700 -0.595 1.00 0.00 H new ATOM 0 HB VAL A 21 7.009 5.422 -1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.975 4.302 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.960 3.225 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.976 3.038 0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.049 6.061 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.096 4.870 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.817 6.266 0.703 1.00 0.00 H new ATOM 324 N ASP A 22 9.114 3.374 1.546 1.00 0.00 N ATOM 325 CA ASP A 22 9.258 2.500 2.705 1.00 0.00 C ATOM 326 C ASP A 22 8.166 2.778 3.733 1.00 0.00 C ATOM 327 O ASP A 22 7.879 3.931 4.053 1.00 0.00 O ATOM 328 CB ASP A 22 10.636 2.685 3.342 1.00 0.00 C ATOM 329 CG ASP A 22 10.674 2.220 4.785 1.00 0.00 C ATOM 330 OD1 ASP A 22 10.157 1.118 5.067 1.00 0.00 O ATOM 331 OD2 ASP A 22 11.221 2.956 5.631 1.00 0.00 O ATOM 0 H ASP A 22 9.518 4.303 1.666 1.00 0.00 H new ATOM 0 HA ASP A 22 9.159 1.469 2.367 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.377 2.131 2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.917 3.737 3.295 1.00 0.00 H new ATOM 336 N VAL A 23 7.561 1.712 4.248 1.00 0.00 N ATOM 337 CA VAL A 23 6.501 1.841 5.241 1.00 0.00 C ATOM 338 C VAL A 23 6.819 1.032 6.494 1.00 0.00 C ATOM 339 O VAL A 23 7.266 -0.112 6.410 1.00 0.00 O ATOM 340 CB VAL A 23 5.144 1.379 4.677 1.00 0.00 C ATOM 341 CG1 VAL A 23 4.048 1.541 5.719 1.00 0.00 C ATOM 342 CG2 VAL A 23 4.804 2.149 3.410 1.00 0.00 C ATOM 0 H VAL A 23 7.787 0.750 3.994 1.00 0.00 H new ATOM 0 HA VAL A 23 6.438 2.898 5.500 1.00 0.00 H new ATOM 0 HB VAL A 23 5.217 0.321 4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.097 1.209 5.302 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.288 0.940 6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.972 2.590 6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.842 1.810 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.750 3.214 3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.576 1.976 2.661 1.00 0.00 H new ATOM 352 N VAL A 24 6.587 1.635 7.655 1.00 0.00 N ATOM 353 CA VAL A 24 6.847 0.970 8.927 1.00 0.00 C ATOM 354 C VAL A 24 5.641 1.065 9.854 1.00 0.00 C ATOM 355 O VAL A 24 5.159 2.159 10.154 1.00 0.00 O ATOM 356 CB VAL A 24 8.074 1.575 9.635 1.00 0.00 C ATOM 357 CG1 VAL A 24 8.083 1.193 11.107 1.00 0.00 C ATOM 358 CG2 VAL A 24 9.357 1.128 8.952 1.00 0.00 C ATOM 0 H VAL A 24 6.220 2.583 7.742 1.00 0.00 H new ATOM 0 HA VAL A 24 7.046 -0.078 8.702 1.00 0.00 H new ATOM 0 HB VAL A 24 8.013 2.661 9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.957 1.629 11.591 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.178 1.568 11.586 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.120 0.108 11.201 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.214 1.565 9.465 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.428 0.041 8.987 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.350 1.457 7.913 1.00 0.00 H new ATOM 368 N LEU A 25 5.157 -0.086 10.306 1.00 0.00 N ATOM 369 CA LEU A 25 4.006 -0.134 11.201 1.00 0.00 C ATOM 370 C LEU A 25 4.039 -1.392 12.063 1.00 0.00 C ATOM 371 O LEU A 25 4.457 -2.456 11.609 1.00 0.00 O ATOM 372 CB LEU A 25 2.706 -0.088 10.395 1.00 0.00 C ATOM 373 CG LEU A 25 2.231 -1.419 9.811 1.00 0.00 C ATOM 374 CD1 LEU A 25 0.852 -1.267 9.189 1.00 0.00 C ATOM 375 CD2 LEU A 25 3.227 -1.937 8.784 1.00 0.00 C ATOM 0 H LEU A 25 5.544 -0.999 10.067 1.00 0.00 H new ATOM 0 HA LEU A 25 4.050 0.735 11.857 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.918 0.306 11.037 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.834 0.620 9.576 1.00 0.00 H new ATOM 0 HG LEU A 25 2.164 -2.146 10.621 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.530 -2.224 8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.143 -0.942 9.951 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.892 -0.525 8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.872 -2.885 8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.327 -1.212 7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.196 -2.086 9.260 1.00 0.00 H new ATOM 387 N GLU A 26 3.592 -1.261 13.309 1.00 0.00 N ATOM 388 CA GLU A 26 3.570 -2.388 14.234 1.00 0.00 C ATOM 389 C GLU A 26 2.780 -3.556 13.649 1.00 0.00 C ATOM 390 O GLU A 26 2.025 -3.390 12.691 1.00 0.00 O ATOM 391 CB GLU A 26 2.961 -1.965 15.572 1.00 0.00 C ATOM 392 CG GLU A 26 3.332 -2.882 16.726 1.00 0.00 C ATOM 393 CD GLU A 26 3.339 -2.164 18.062 1.00 0.00 C ATOM 394 OE1 GLU A 26 4.203 -1.283 18.256 1.00 0.00 O ATOM 395 OE2 GLU A 26 2.483 -2.483 18.912 1.00 0.00 O ATOM 0 H GLU A 26 3.241 -0.387 13.700 1.00 0.00 H new ATOM 0 HA GLU A 26 4.598 -2.712 14.397 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.286 -0.951 15.805 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.876 -1.937 15.475 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.626 -3.712 16.767 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.317 -3.310 16.543 1.00 0.00 H new ATOM 402 N ASP A 27 2.962 -4.735 14.232 1.00 0.00 N ATOM 403 CA ASP A 27 2.267 -5.931 13.771 1.00 0.00 C ATOM 404 C ASP A 27 0.860 -6.002 14.354 1.00 0.00 C ATOM 405 O ASP A 27 0.231 -7.061 14.364 1.00 0.00 O ATOM 406 CB ASP A 27 3.055 -7.185 14.154 1.00 0.00 C ATOM 407 CG ASP A 27 3.441 -7.200 15.620 1.00 0.00 C ATOM 408 OD1 ASP A 27 3.262 -6.162 16.292 1.00 0.00 O ATOM 409 OD2 ASP A 27 3.922 -8.249 16.096 1.00 0.00 O ATOM 0 H ASP A 27 3.585 -4.888 15.025 1.00 0.00 H new ATOM 0 HA ASP A 27 2.188 -5.878 12.685 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.458 -8.069 13.929 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.956 -7.245 13.543 1.00 0.00 H new ATOM 414 N THR A 28 0.369 -4.866 14.842 1.00 0.00 N ATOM 415 CA THR A 28 -0.963 -4.799 15.430 1.00 0.00 C ATOM 416 C THR A 28 -1.955 -4.150 14.471 1.00 0.00 C ATOM 417 O THR A 28 -3.167 -4.220 14.676 1.00 0.00 O ATOM 418 CB THR A 28 -0.954 -4.010 16.753 1.00 0.00 C ATOM 419 OG1 THR A 28 -0.527 -2.664 16.517 1.00 0.00 O ATOM 420 CG2 THR A 28 -0.034 -4.669 17.769 1.00 0.00 C ATOM 0 H THR A 28 0.875 -3.980 14.841 1.00 0.00 H new ATOM 0 HA THR A 28 -1.273 -5.825 15.630 1.00 0.00 H new ATOM 0 HB THR A 28 -1.967 -4.004 17.155 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.526 -2.168 17.362 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.044 -4.094 18.695 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.379 -5.684 17.968 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.981 -4.702 17.373 1.00 0.00 H new ATOM 428 N CYS A 29 -1.433 -3.520 13.424 1.00 0.00 N ATOM 429 CA CYS A 29 -2.274 -2.858 12.433 1.00 0.00 C ATOM 430 C CYS A 29 -2.824 -3.865 11.428 1.00 0.00 C ATOM 431 O CYS A 29 -2.235 -4.923 11.206 1.00 0.00 O ATOM 432 CB CYS A 29 -1.480 -1.773 11.704 1.00 0.00 C ATOM 433 SG CYS A 29 -1.241 -0.261 12.666 1.00 0.00 S ATOM 0 H CYS A 29 -0.432 -3.454 13.240 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.113 -2.396 12.954 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.504 -2.174 11.430 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.994 -1.523 10.776 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.557 0.595 11.966 1.00 0.00 H new ATOM 439 N THR A 30 -3.960 -3.529 10.823 1.00 0.00 N ATOM 440 CA THR A 30 -4.592 -4.404 9.844 1.00 0.00 C ATOM 441 C THR A 30 -3.973 -4.221 8.463 1.00 0.00 C ATOM 442 O THR A 30 -3.561 -3.121 8.097 1.00 0.00 O ATOM 443 CB THR A 30 -6.107 -4.143 9.754 1.00 0.00 C ATOM 444 OG1 THR A 30 -6.627 -3.818 11.048 1.00 0.00 O ATOM 445 CG2 THR A 30 -6.834 -5.360 9.201 1.00 0.00 C ATOM 0 H THR A 30 -4.461 -2.657 10.994 1.00 0.00 H new ATOM 0 HA THR A 30 -4.426 -5.427 10.180 1.00 0.00 H new ATOM 0 HB THR A 30 -6.269 -3.304 9.077 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.591 -3.652 10.981 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.903 -5.152 9.147 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.457 -5.587 8.204 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.664 -6.214 9.856 1.00 0.00 H new ATOM 453 N VAL A 31 -3.911 -5.308 7.699 1.00 0.00 N ATOM 454 CA VAL A 31 -3.343 -5.267 6.357 1.00 0.00 C ATOM 455 C VAL A 31 -3.927 -4.114 5.548 1.00 0.00 C ATOM 456 O VAL A 31 -3.281 -3.586 4.644 1.00 0.00 O ATOM 457 CB VAL A 31 -3.592 -6.586 5.602 1.00 0.00 C ATOM 458 CG1 VAL A 31 -2.798 -7.720 6.233 1.00 0.00 C ATOM 459 CG2 VAL A 31 -5.077 -6.914 5.578 1.00 0.00 C ATOM 0 H VAL A 31 -4.247 -6.227 7.987 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.269 -5.119 6.472 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.253 -6.465 4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.986 -8.644 5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.734 -7.485 6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.104 -7.844 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.234 -7.849 5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.444 -7.016 6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.619 -6.112 5.077 1.00 0.00 H new ATOM 469 N GLY A 32 -5.155 -3.727 5.881 1.00 0.00 N ATOM 470 CA GLY A 32 -5.806 -2.638 5.176 1.00 0.00 C ATOM 471 C GLY A 32 -5.105 -1.311 5.385 1.00 0.00 C ATOM 472 O GLY A 32 -5.117 -0.451 4.506 1.00 0.00 O ATOM 0 H GLY A 32 -5.710 -4.148 6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.836 -2.866 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.839 -2.557 5.514 1.00 0.00 H new ATOM 476 N GLU A 33 -4.494 -1.144 6.554 1.00 0.00 N ATOM 477 CA GLU A 33 -3.788 0.090 6.876 1.00 0.00 C ATOM 478 C GLU A 33 -2.786 0.446 5.781 1.00 0.00 C ATOM 479 O GLU A 33 -2.913 1.478 5.121 1.00 0.00 O ATOM 480 CB GLU A 33 -3.065 -0.045 8.218 1.00 0.00 C ATOM 481 CG GLU A 33 -3.910 0.375 9.409 1.00 0.00 C ATOM 482 CD GLU A 33 -4.422 1.797 9.289 1.00 0.00 C ATOM 483 OE1 GLU A 33 -3.588 2.726 9.257 1.00 0.00 O ATOM 484 OE2 GLU A 33 -5.656 1.981 9.228 1.00 0.00 O ATOM 0 H GLU A 33 -4.474 -1.847 7.293 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.524 0.891 6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.754 -1.081 8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.158 0.559 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.756 -0.305 9.507 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.319 0.281 10.320 1.00 0.00 H new ATOM 491 N ILE A 34 -1.793 -0.416 5.594 1.00 0.00 N ATOM 492 CA ILE A 34 -0.770 -0.194 4.579 1.00 0.00 C ATOM 493 C ILE A 34 -1.358 0.485 3.346 1.00 0.00 C ATOM 494 O ILE A 34 -0.780 1.430 2.809 1.00 0.00 O ATOM 495 CB ILE A 34 -0.102 -1.515 4.154 1.00 0.00 C ATOM 496 CG1 ILE A 34 0.314 -2.321 5.387 1.00 0.00 C ATOM 497 CG2 ILE A 34 1.101 -1.238 3.265 1.00 0.00 C ATOM 498 CD1 ILE A 34 1.193 -3.508 5.064 1.00 0.00 C ATOM 0 H ILE A 34 -1.675 -1.275 6.132 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.018 0.456 5.026 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.822 -2.103 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.843 -1.665 6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.581 -2.671 5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.562 -2.181 2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.778 -0.700 2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.825 -0.634 3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.449 -4.032 5.985 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.659 -4.185 4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.105 -3.163 4.577 1.00 0.00 H new ATOM 510 N LYS A 35 -2.512 -0.003 2.903 1.00 0.00 N ATOM 511 CA LYS A 35 -3.181 0.558 1.735 1.00 0.00 C ATOM 512 C LYS A 35 -3.434 2.051 1.917 1.00 0.00 C ATOM 513 O LYS A 35 -2.949 2.870 1.137 1.00 0.00 O ATOM 514 CB LYS A 35 -4.505 -0.168 1.484 1.00 0.00 C ATOM 515 CG LYS A 35 -4.344 -1.655 1.222 1.00 0.00 C ATOM 516 CD LYS A 35 -5.652 -2.288 0.778 1.00 0.00 C ATOM 517 CE LYS A 35 -5.802 -2.253 -0.735 1.00 0.00 C ATOM 518 NZ LYS A 35 -7.230 -2.170 -1.149 1.00 0.00 N ATOM 0 H LYS A 35 -3.003 -0.786 3.335 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.529 0.421 0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.155 -0.028 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.005 0.291 0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.585 -1.810 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.989 -2.148 2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.694 -3.320 1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.487 -1.762 1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.258 -1.397 -1.134 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.350 -3.147 -1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.462 -2.980 -1.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.838 -2.187 -0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.389 -1.285 -1.672 1.00 0.00 H new ATOM 532 N GLN A 36 -4.194 2.396 2.951 1.00 0.00 N ATOM 533 CA GLN A 36 -4.509 3.791 3.234 1.00 0.00 C ATOM 534 C GLN A 36 -3.239 4.596 3.485 1.00 0.00 C ATOM 535 O GLN A 36 -3.150 5.766 3.111 1.00 0.00 O ATOM 536 CB GLN A 36 -5.438 3.890 4.446 1.00 0.00 C ATOM 537 CG GLN A 36 -5.874 5.311 4.764 1.00 0.00 C ATOM 538 CD GLN A 36 -7.243 5.370 5.412 1.00 0.00 C ATOM 539 OE1 GLN A 36 -7.364 5.382 6.637 1.00 0.00 O ATOM 540 NE2 GLN A 36 -8.286 5.407 4.590 1.00 0.00 N ATOM 0 H GLN A 36 -4.603 1.729 3.606 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.014 4.207 2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.323 3.279 4.266 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.933 3.471 5.316 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.142 5.772 5.427 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.885 5.898 3.845 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.140 5.395 3.581 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.232 5.447 4.968 1.00 0.00 H new ATOM 549 N ILE A 37 -2.259 3.963 4.121 1.00 0.00 N ATOM 550 CA ILE A 37 -0.993 4.621 4.421 1.00 0.00 C ATOM 551 C ILE A 37 -0.322 5.128 3.149 1.00 0.00 C ATOM 552 O ILE A 37 0.152 6.263 3.095 1.00 0.00 O ATOM 553 CB ILE A 37 -0.026 3.673 5.155 1.00 0.00 C ATOM 554 CG1 ILE A 37 -0.516 3.414 6.581 1.00 0.00 C ATOM 555 CG2 ILE A 37 1.379 4.257 5.169 1.00 0.00 C ATOM 556 CD1 ILE A 37 0.234 2.305 7.285 1.00 0.00 C ATOM 0 H ILE A 37 -2.317 2.995 4.439 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.223 5.466 5.070 1.00 0.00 H new ATOM 0 HB ILE A 37 0.002 2.722 4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.421 4.332 7.162 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.576 3.163 6.552 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.051 3.576 5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.726 4.395 4.145 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.368 5.219 5.681 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.166 2.176 8.291 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.118 1.376 6.727 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.291 2.562 7.346 1.00 0.00 H new ATOM 568 N LEU A 38 -0.288 4.281 2.127 1.00 0.00 N ATOM 569 CA LEU A 38 0.323 4.643 0.852 1.00 0.00 C ATOM 570 C LEU A 38 -0.336 5.888 0.267 1.00 0.00 C ATOM 571 O LEU A 38 0.272 6.610 -0.523 1.00 0.00 O ATOM 572 CB LEU A 38 0.214 3.481 -0.137 1.00 0.00 C ATOM 573 CG LEU A 38 1.067 2.251 0.176 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.709 1.103 -0.754 1.00 0.00 C ATOM 575 CD2 LEU A 38 2.548 2.587 0.065 1.00 0.00 C ATOM 0 H LEU A 38 -0.676 3.338 2.156 1.00 0.00 H new ATOM 0 HA LEU A 38 1.376 4.862 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.830 3.171 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.488 3.846 -1.127 1.00 0.00 H new ATOM 0 HG LEU A 38 0.860 1.940 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.326 0.236 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.342 0.846 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.886 1.403 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.140 1.700 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.770 2.923 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.796 3.379 0.772 1.00 0.00 H new ATOM 587 N GLU A 39 -1.581 6.133 0.662 1.00 0.00 N ATOM 588 CA GLU A 39 -2.322 7.292 0.177 1.00 0.00 C ATOM 589 C GLU A 39 -1.860 8.566 0.879 1.00 0.00 C ATOM 590 O GLU A 39 -2.156 9.674 0.435 1.00 0.00 O ATOM 591 CB GLU A 39 -3.823 7.093 0.394 1.00 0.00 C ATOM 592 CG GLU A 39 -4.666 8.272 -0.063 1.00 0.00 C ATOM 593 CD GLU A 39 -6.149 8.053 0.165 1.00 0.00 C ATOM 594 OE1 GLU A 39 -6.505 7.381 1.155 1.00 0.00 O ATOM 595 OE2 GLU A 39 -6.954 8.553 -0.648 1.00 0.00 O ATOM 0 H GLU A 39 -2.098 5.545 1.316 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.127 7.395 -0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.143 6.199 -0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.008 6.914 1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.349 9.168 0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.488 8.452 -1.123 1.00 0.00 H new ATOM 602 N ASN A 40 -1.132 8.398 1.978 1.00 0.00 N ATOM 603 CA ASN A 40 -0.630 9.533 2.744 1.00 0.00 C ATOM 604 C ASN A 40 0.788 9.896 2.311 1.00 0.00 C ATOM 605 O ASN A 40 1.339 10.907 2.744 1.00 0.00 O ATOM 606 CB ASN A 40 -0.654 9.217 4.240 1.00 0.00 C ATOM 607 CG ASN A 40 -2.046 9.322 4.831 1.00 0.00 C ATOM 608 OD1 ASN A 40 -2.344 10.249 5.585 1.00 0.00 O ATOM 609 ND2 ASN A 40 -2.907 8.370 4.492 1.00 0.00 N ATOM 0 H ASN A 40 -0.876 7.487 2.358 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.280 10.386 2.551 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.268 8.210 4.402 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.013 9.902 4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.858 8.388 4.860 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.617 7.620 3.864 1.00 0.00 H new ATOM 616 N GLU A 41 1.371 9.062 1.455 1.00 0.00 N ATOM 617 CA GLU A 41 2.724 9.296 0.965 1.00 0.00 C ATOM 618 C GLU A 41 2.729 9.490 -0.548 1.00 0.00 C ATOM 619 O GLU A 41 3.505 10.284 -1.082 1.00 0.00 O ATOM 620 CB GLU A 41 3.636 8.127 1.344 1.00 0.00 C ATOM 621 CG GLU A 41 3.738 7.894 2.842 1.00 0.00 C ATOM 622 CD GLU A 41 4.567 8.953 3.542 1.00 0.00 C ATOM 623 OE1 GLU A 41 5.809 8.908 3.423 1.00 0.00 O ATOM 624 OE2 GLU A 41 3.974 9.827 4.209 1.00 0.00 O ATOM 0 H GLU A 41 0.928 8.220 1.087 1.00 0.00 H new ATOM 0 HA GLU A 41 3.100 10.207 1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.265 7.219 0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.633 8.311 0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.737 7.878 3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.179 6.914 3.024 1.00 0.00 H new ATOM 631 N LEU A 42 1.858 8.758 -1.235 1.00 0.00 N ATOM 632 CA LEU A 42 1.761 8.848 -2.688 1.00 0.00 C ATOM 633 C LEU A 42 0.510 9.616 -3.103 1.00 0.00 C ATOM 634 O LEU A 42 0.287 9.863 -4.288 1.00 0.00 O ATOM 635 CB LEU A 42 1.743 7.449 -3.305 1.00 0.00 C ATOM 636 CG LEU A 42 2.895 6.525 -2.907 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.641 5.111 -3.405 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.215 7.055 -3.448 1.00 0.00 C ATOM 0 H LEU A 42 1.209 8.096 -0.809 1.00 0.00 H new ATOM 0 HA LEU A 42 2.634 9.388 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.805 6.965 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.745 7.552 -4.390 1.00 0.00 H new ATOM 0 HG LEU A 42 2.956 6.499 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.471 4.468 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.717 4.732 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.553 5.118 -4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.023 6.385 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.166 7.111 -4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.402 8.049 -3.041 1.00 0.00 H new ATOM 650 N GLN A 43 -0.302 9.992 -2.120 1.00 0.00 N ATOM 651 CA GLN A 43 -1.529 10.732 -2.384 1.00 0.00 C ATOM 652 C GLN A 43 -2.440 9.957 -3.330 1.00 0.00 C ATOM 653 O GLN A 43 -3.260 10.543 -4.038 1.00 0.00 O ATOM 654 CB GLN A 43 -1.204 12.103 -2.981 1.00 0.00 C ATOM 655 CG GLN A 43 -0.661 13.095 -1.965 1.00 0.00 C ATOM 656 CD GLN A 43 0.848 13.027 -1.832 1.00 0.00 C ATOM 657 OE1 GLN A 43 1.331 12.064 -1.055 1.00 0.00 O flip ATOM 658 NE2 GLN A 43 1.572 13.830 -2.422 1.00 0.00 N flip ATOM 0 H GLN A 43 -0.132 9.796 -1.134 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.051 10.869 -1.437 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.474 11.978 -3.781 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.105 12.516 -3.434 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.951 14.104 -2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.117 12.901 -0.994 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.158 14.554 -3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.586 13.771 -2.324 1.00 0.00 H new ATOM 667 N ILE A 44 -2.292 8.636 -3.336 1.00 0.00 N ATOM 668 CA ILE A 44 -3.102 7.781 -4.194 1.00 0.00 C ATOM 669 C ILE A 44 -4.247 7.145 -3.413 1.00 0.00 C ATOM 670 O ILE A 44 -4.068 6.634 -2.307 1.00 0.00 O ATOM 671 CB ILE A 44 -2.256 6.668 -4.840 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.060 7.271 -5.580 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.108 5.837 -5.787 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.201 6.241 -6.280 1.00 0.00 C ATOM 0 H ILE A 44 -1.619 8.135 -2.756 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.510 8.418 -4.979 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.880 6.014 -4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.422 7.990 -6.315 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.445 7.824 -4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.496 5.055 -6.236 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.929 5.382 -5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.510 6.478 -6.572 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.627 6.740 -6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.191 5.536 -5.547 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.802 5.705 -7.014 1.00 0.00 H new ATOM 686 N PRO A 45 -5.452 7.174 -4.001 1.00 0.00 N ATOM 687 CA PRO A 45 -6.650 6.603 -3.379 1.00 0.00 C ATOM 688 C PRO A 45 -6.605 5.080 -3.324 1.00 0.00 C ATOM 689 O PRO A 45 -6.280 4.422 -4.313 1.00 0.00 O ATOM 690 CB PRO A 45 -7.783 7.072 -4.295 1.00 0.00 C ATOM 691 CG PRO A 45 -7.134 7.295 -5.617 1.00 0.00 C ATOM 692 CD PRO A 45 -5.738 7.767 -5.318 1.00 0.00 C ATOM 0 HA PRO A 45 -6.762 6.921 -2.343 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.573 6.324 -4.363 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.242 7.987 -3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.118 6.377 -6.204 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.680 8.037 -6.200 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.029 7.429 -6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.679 8.855 -5.290 1.00 0.00 H new ATOM 700 N VAL A 46 -6.933 4.523 -2.162 1.00 0.00 N ATOM 701 CA VAL A 46 -6.931 3.077 -1.980 1.00 0.00 C ATOM 702 C VAL A 46 -7.894 2.399 -2.948 1.00 0.00 C ATOM 703 O VAL A 46 -7.847 1.184 -3.138 1.00 0.00 O ATOM 704 CB VAL A 46 -7.315 2.693 -0.538 1.00 0.00 C ATOM 705 CG1 VAL A 46 -7.269 1.183 -0.358 1.00 0.00 C ATOM 706 CG2 VAL A 46 -6.399 3.385 0.459 1.00 0.00 C ATOM 0 H VAL A 46 -7.203 5.052 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.916 2.734 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.336 3.027 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.543 0.930 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.970 0.713 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.261 0.823 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.685 3.102 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.368 3.084 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.487 4.465 0.345 1.00 0.00 H new ATOM 716 N SER A 47 -8.766 3.194 -3.560 1.00 0.00 N ATOM 717 CA SER A 47 -9.743 2.671 -4.508 1.00 0.00 C ATOM 718 C SER A 47 -9.110 2.458 -5.879 1.00 0.00 C ATOM 719 O SER A 47 -9.605 1.676 -6.691 1.00 0.00 O ATOM 720 CB SER A 47 -10.933 3.626 -4.625 1.00 0.00 C ATOM 721 OG SER A 47 -11.513 3.876 -3.357 1.00 0.00 O ATOM 0 H SER A 47 -8.816 4.203 -3.416 1.00 0.00 H new ATOM 0 HA SER A 47 -10.094 1.708 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.607 4.566 -5.071 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.681 3.199 -5.293 1.00 0.00 H new ATOM 0 HG SER A 47 -12.270 4.490 -3.459 1.00 0.00 H new ATOM 727 N LYS A 48 -8.010 3.160 -6.131 1.00 0.00 N ATOM 728 CA LYS A 48 -7.305 3.049 -7.403 1.00 0.00 C ATOM 729 C LYS A 48 -6.000 2.277 -7.237 1.00 0.00 C ATOM 730 O LYS A 48 -5.232 2.127 -8.186 1.00 0.00 O ATOM 731 CB LYS A 48 -7.018 4.440 -7.974 1.00 0.00 C ATOM 732 CG LYS A 48 -8.257 5.307 -8.113 1.00 0.00 C ATOM 733 CD LYS A 48 -8.889 5.160 -9.487 1.00 0.00 C ATOM 734 CE LYS A 48 -10.386 5.428 -9.444 1.00 0.00 C ATOM 735 NZ LYS A 48 -11.108 4.719 -10.536 1.00 0.00 N ATOM 0 H LYS A 48 -7.587 3.812 -5.471 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.944 2.503 -8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.300 4.947 -7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.548 4.333 -8.952 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.982 5.033 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.993 6.351 -7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.414 5.852 -10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.709 4.154 -9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.784 5.111 -8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.566 6.500 -9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.125 4.927 -10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.746 5.040 -11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.958 3.694 -10.443 1.00 0.00 H new ATOM 749 N MET A 49 -5.758 1.788 -6.025 1.00 0.00 N ATOM 750 CA MET A 49 -4.547 1.029 -5.736 1.00 0.00 C ATOM 751 C MET A 49 -4.873 -0.439 -5.477 1.00 0.00 C ATOM 752 O MET A 49 -5.967 -0.770 -5.018 1.00 0.00 O ATOM 753 CB MET A 49 -3.823 1.623 -4.527 1.00 0.00 C ATOM 754 CG MET A 49 -3.611 3.125 -4.623 1.00 0.00 C ATOM 755 SD MET A 49 -3.823 3.960 -3.039 1.00 0.00 S ATOM 756 CE MET A 49 -2.334 3.447 -2.185 1.00 0.00 C ATOM 0 H MET A 49 -6.384 1.904 -5.228 1.00 0.00 H new ATOM 0 HA MET A 49 -3.895 1.090 -6.607 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.396 1.402 -3.626 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.855 1.134 -4.417 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.608 3.323 -5.002 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.313 3.541 -5.345 1.00 0.00 H new ATOM 0 HE1 MET A 49 -1.973 4.264 -1.560 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.553 2.581 -1.560 1.00 0.00 H new ATOM 0 HE3 MET A 49 -1.569 3.183 -2.915 1.00 0.00 H new ATOM 766 N LEU A 50 -3.920 -1.314 -5.775 1.00 0.00 N ATOM 767 CA LEU A 50 -4.106 -2.747 -5.574 1.00 0.00 C ATOM 768 C LEU A 50 -2.955 -3.338 -4.767 1.00 0.00 C ATOM 769 O LEU A 50 -1.856 -3.537 -5.286 1.00 0.00 O ATOM 770 CB LEU A 50 -4.218 -3.460 -6.922 1.00 0.00 C ATOM 771 CG LEU A 50 -5.187 -2.842 -7.931 1.00 0.00 C ATOM 772 CD1 LEU A 50 -4.883 -3.337 -9.336 1.00 0.00 C ATOM 773 CD2 LEU A 50 -6.626 -3.160 -7.551 1.00 0.00 C ATOM 0 H LEU A 50 -3.010 -1.057 -6.157 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.030 -2.894 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.227 -3.495 -7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.522 -4.491 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.058 -1.760 -7.914 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.583 -2.886 -10.040 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.865 -3.058 -9.608 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.983 -4.422 -9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.302 -2.713 -8.280 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.769 -4.241 -7.539 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.839 -2.755 -6.562 1.00 0.00 H new ATOM 785 N LEU A 51 -3.215 -3.620 -3.495 1.00 0.00 N ATOM 786 CA LEU A 51 -2.202 -4.191 -2.615 1.00 0.00 C ATOM 787 C LEU A 51 -1.913 -5.642 -2.987 1.00 0.00 C ATOM 788 O LEU A 51 -2.793 -6.501 -2.913 1.00 0.00 O ATOM 789 CB LEU A 51 -2.657 -4.108 -1.157 1.00 0.00 C ATOM 790 CG LEU A 51 -1.548 -4.124 -0.105 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.580 -5.267 -0.368 1.00 0.00 C ATOM 792 CD2 LEU A 51 -0.811 -2.793 -0.086 1.00 0.00 C ATOM 0 H LEU A 51 -4.119 -3.462 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.285 -3.614 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.237 -3.194 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.330 -4.943 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.004 -4.278 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.203 -5.263 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.117 -6.215 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.131 -5.144 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.025 -2.823 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.367 -2.609 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.512 -1.992 0.151 1.00 0.00 H new ATOM 804 N LYS A 52 -0.674 -5.910 -3.386 1.00 0.00 N ATOM 805 CA LYS A 52 -0.267 -7.258 -3.766 1.00 0.00 C ATOM 806 C LYS A 52 1.108 -7.592 -3.196 1.00 0.00 C ATOM 807 O LYS A 52 1.767 -6.741 -2.600 1.00 0.00 O ATOM 808 CB LYS A 52 -0.247 -7.395 -5.290 1.00 0.00 C ATOM 809 CG LYS A 52 -1.627 -7.552 -5.905 1.00 0.00 C ATOM 810 CD LYS A 52 -1.544 -7.825 -7.398 1.00 0.00 C ATOM 811 CE LYS A 52 -2.813 -7.390 -8.115 1.00 0.00 C ATOM 812 NZ LYS A 52 -2.728 -7.626 -9.583 1.00 0.00 N ATOM 0 H LYS A 52 0.066 -5.211 -3.455 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.992 -7.960 -3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.235 -6.516 -5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.362 -8.257 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.155 -8.369 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.209 -6.647 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.688 -7.297 -7.819 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.376 -8.889 -7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.665 -7.935 -7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.992 -6.331 -7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.612 -7.317 -10.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.930 -7.086 -9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.583 -8.640 -9.764 1.00 0.00 H new ATOM 826 N GLY A 53 1.536 -8.836 -3.386 1.00 0.00 N ATOM 827 CA GLY A 53 2.831 -9.260 -2.886 1.00 0.00 C ATOM 828 C GLY A 53 2.716 -10.229 -1.726 1.00 0.00 C ATOM 829 O GLY A 53 3.661 -10.954 -1.419 1.00 0.00 O ATOM 0 H GLY A 53 1.009 -9.558 -3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.393 -9.730 -3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.399 -8.385 -2.570 1.00 0.00 H new ATOM 833 N TRP A 54 1.556 -10.240 -1.080 1.00 0.00 N ATOM 834 CA TRP A 54 1.322 -11.127 0.055 1.00 0.00 C ATOM 835 C TRP A 54 1.869 -12.522 -0.223 1.00 0.00 C ATOM 836 O TRP A 54 1.711 -13.055 -1.322 1.00 0.00 O ATOM 837 CB TRP A 54 -0.174 -11.205 0.367 1.00 0.00 C ATOM 838 CG TRP A 54 -0.757 -9.896 0.808 1.00 0.00 C ATOM 839 CD1 TRP A 54 -1.737 -9.182 0.179 1.00 0.00 C ATOM 840 CD2 TRP A 54 -0.396 -9.146 1.973 1.00 0.00 C ATOM 841 NE1 TRP A 54 -2.006 -8.033 0.882 1.00 0.00 N ATOM 842 CE2 TRP A 54 -1.198 -7.988 1.987 1.00 0.00 C ATOM 843 CE3 TRP A 54 0.524 -9.340 3.006 1.00 0.00 C ATOM 844 CZ2 TRP A 54 -1.104 -7.030 2.993 1.00 0.00 C ATOM 845 CZ3 TRP A 54 0.616 -8.389 4.004 1.00 0.00 C ATOM 846 CH2 TRP A 54 -0.194 -7.246 3.992 1.00 0.00 C ATOM 0 H TRP A 54 0.763 -9.646 -1.322 1.00 0.00 H new ATOM 0 HA TRP A 54 1.846 -10.717 0.919 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.705 -11.551 -0.520 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.337 -11.949 1.147 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.228 -9.477 -0.736 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.696 -7.328 0.623 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.152 -10.218 3.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.727 -6.148 2.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.324 -8.529 4.807 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.098 -6.521 4.787 1.00 0.00 H new ATOM 912 N VAL A 59 -4.198 -11.256 0.530 1.00 0.00 N ATOM 913 CA VAL A 59 -4.671 -11.035 1.891 1.00 0.00 C ATOM 914 C VAL A 59 -5.802 -10.013 1.921 1.00 0.00 C ATOM 915 O VAL A 59 -5.739 -8.984 1.249 1.00 0.00 O ATOM 916 CB VAL A 59 -3.532 -10.551 2.809 1.00 0.00 C ATOM 917 CG1 VAL A 59 -4.088 -10.062 4.137 1.00 0.00 C ATOM 918 CG2 VAL A 59 -2.513 -11.660 3.023 1.00 0.00 C ATOM 0 HA VAL A 59 -5.041 -11.993 2.257 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.028 -9.715 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.269 -9.724 4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.776 -9.235 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.618 -10.876 4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.716 -11.301 3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.001 -12.518 3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.092 -11.957 2.063 1.00 0.00 H new ATOM 928 N GLU A 60 -6.835 -10.304 2.705 1.00 0.00 N ATOM 929 CA GLU A 60 -7.981 -9.410 2.822 1.00 0.00 C ATOM 930 C GLU A 60 -7.732 -8.343 3.884 1.00 0.00 C ATOM 931 O GLU A 60 -7.057 -8.592 4.883 1.00 0.00 O ATOM 932 CB GLU A 60 -9.242 -10.204 3.166 1.00 0.00 C ATOM 933 CG GLU A 60 -9.122 -11.012 4.448 1.00 0.00 C ATOM 934 CD GLU A 60 -10.435 -11.649 4.860 1.00 0.00 C ATOM 935 OE1 GLU A 60 -11.479 -10.970 4.771 1.00 0.00 O ATOM 936 OE2 GLU A 60 -10.417 -12.828 5.274 1.00 0.00 O ATOM 0 H GLU A 60 -6.902 -11.152 3.268 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.123 -8.915 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.081 -9.515 3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.473 -10.879 2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.371 -11.790 4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.769 -10.364 5.250 1.00 0.00 H new ATOM 943 N ASP A 61 -8.280 -7.154 3.659 1.00 0.00 N ATOM 944 CA ASP A 61 -8.119 -6.048 4.596 1.00 0.00 C ATOM 945 C ASP A 61 -8.606 -6.440 5.988 1.00 0.00 C ATOM 946 O ASP A 61 -8.234 -5.819 6.984 1.00 0.00 O ATOM 947 CB ASP A 61 -8.883 -4.818 4.103 1.00 0.00 C ATOM 948 CG ASP A 61 -10.291 -5.154 3.651 1.00 0.00 C ATOM 949 OD1 ASP A 61 -11.142 -5.433 4.520 1.00 0.00 O ATOM 950 OD2 ASP A 61 -10.541 -5.139 2.427 1.00 0.00 O ATOM 0 H ASP A 61 -8.840 -6.931 2.836 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.058 -5.807 4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.928 -4.077 4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.338 -4.363 3.276 1.00 0.00 H new ATOM 955 N SER A 62 -9.439 -7.474 6.049 1.00 0.00 N ATOM 956 CA SER A 62 -9.981 -7.945 7.318 1.00 0.00 C ATOM 957 C SER A 62 -8.967 -8.821 8.049 1.00 0.00 C ATOM 958 O SER A 62 -9.273 -9.414 9.084 1.00 0.00 O ATOM 959 CB SER A 62 -11.274 -8.728 7.085 1.00 0.00 C ATOM 960 OG SER A 62 -12.005 -8.876 8.291 1.00 0.00 O ATOM 0 H SER A 62 -9.753 -8.001 5.234 1.00 0.00 H new ATOM 0 HA SER A 62 -10.198 -7.075 7.938 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.887 -8.213 6.346 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.039 -9.710 6.675 1.00 0.00 H new ATOM 0 HG SER A 62 -11.392 -9.111 9.018 1.00 0.00 H new ATOM 966 N THR A 63 -7.758 -8.897 7.503 1.00 0.00 N ATOM 967 CA THR A 63 -6.698 -9.700 8.101 1.00 0.00 C ATOM 968 C THR A 63 -5.675 -8.820 8.810 1.00 0.00 C ATOM 969 O THR A 63 -5.430 -7.684 8.404 1.00 0.00 O ATOM 970 CB THR A 63 -5.977 -10.555 7.043 1.00 0.00 C ATOM 971 OG1 THR A 63 -6.928 -11.343 6.318 1.00 0.00 O ATOM 972 CG2 THR A 63 -4.948 -11.467 7.694 1.00 0.00 C ATOM 0 H THR A 63 -7.488 -8.412 6.647 1.00 0.00 H new ATOM 0 HA THR A 63 -7.172 -10.359 8.828 1.00 0.00 H new ATOM 0 HB THR A 63 -5.462 -9.884 6.355 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.461 -11.882 5.646 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.452 -12.061 6.927 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.209 -10.864 8.221 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.446 -12.130 8.401 1.00 0.00 H new ATOM 980 N VAL A 64 -5.080 -9.352 9.873 1.00 0.00 N ATOM 981 CA VAL A 64 -4.081 -8.615 10.638 1.00 0.00 C ATOM 982 C VAL A 64 -2.679 -9.151 10.370 1.00 0.00 C ATOM 983 O VAL A 64 -2.483 -10.355 10.202 1.00 0.00 O ATOM 984 CB VAL A 64 -4.366 -8.688 12.150 1.00 0.00 C ATOM 985 CG1 VAL A 64 -4.263 -10.123 12.644 1.00 0.00 C ATOM 986 CG2 VAL A 64 -3.414 -7.782 12.916 1.00 0.00 C ATOM 0 H VAL A 64 -5.272 -10.290 10.224 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.138 -7.576 10.315 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.384 -8.340 12.328 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.467 -10.155 13.714 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.989 -10.742 12.117 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.258 -10.502 12.455 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.630 -7.846 13.983 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.386 -8.097 12.734 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.543 -6.753 12.581 1.00 0.00 H new ATOM 996 N LEU A 65 -1.705 -8.248 10.332 1.00 0.00 N ATOM 997 CA LEU A 65 -0.318 -8.629 10.085 1.00 0.00 C ATOM 998 C LEU A 65 0.099 -9.784 10.989 1.00 0.00 C ATOM 999 O LEU A 65 0.514 -10.841 10.513 1.00 0.00 O ATOM 1000 CB LEU A 65 0.608 -7.432 10.308 1.00 0.00 C ATOM 1001 CG LEU A 65 0.263 -6.162 9.529 1.00 0.00 C ATOM 1002 CD1 LEU A 65 0.734 -4.929 10.284 1.00 0.00 C ATOM 1003 CD2 LEU A 65 0.878 -6.206 8.138 1.00 0.00 C ATOM 0 H LEU A 65 -1.850 -7.248 10.469 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.236 -8.956 9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.610 -7.193 11.371 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.623 -7.730 10.047 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.820 -6.106 9.423 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.480 -4.035 9.715 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.246 -4.890 11.258 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.814 -4.977 10.421 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.622 -5.294 7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.962 -6.286 8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.491 -7.069 7.596 1.00 0.00 H new ATOM 1015 N LYS A 66 -0.017 -9.577 12.296 1.00 0.00 N ATOM 1016 CA LYS A 66 0.344 -10.602 13.269 1.00 0.00 C ATOM 1017 C LYS A 66 -0.171 -11.970 12.834 1.00 0.00 C ATOM 1018 O LYS A 66 0.370 -13.002 13.231 1.00 0.00 O ATOM 1019 CB LYS A 66 -0.219 -10.247 14.647 1.00 0.00 C ATOM 1020 CG LYS A 66 -1.621 -10.780 14.887 1.00 0.00 C ATOM 1021 CD LYS A 66 -2.171 -10.319 16.226 1.00 0.00 C ATOM 1022 CE LYS A 66 -2.685 -8.889 16.155 1.00 0.00 C ATOM 1023 NZ LYS A 66 -2.956 -8.329 17.508 1.00 0.00 N ATOM 0 H LYS A 66 -0.358 -8.708 12.707 1.00 0.00 H new ATOM 0 HA LYS A 66 1.432 -10.645 13.328 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.447 -10.641 15.415 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.228 -9.163 14.758 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.281 -10.445 14.087 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.608 -11.869 14.854 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.979 -10.982 16.537 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.391 -10.389 16.984 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.952 -8.265 15.644 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.598 -8.860 15.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.304 -7.353 17.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.674 -8.910 17.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.079 -8.332 18.067 1.00 0.00 H new ATOM 1037 N SER A 67 -1.219 -11.970 12.016 1.00 0.00 N ATOM 1038 CA SER A 67 -1.808 -13.212 11.530 1.00 0.00 C ATOM 1039 C SER A 67 -0.852 -13.933 10.584 1.00 0.00 C ATOM 1040 O SER A 67 -0.632 -15.139 10.705 1.00 0.00 O ATOM 1041 CB SER A 67 -3.132 -12.928 10.817 1.00 0.00 C ATOM 1042 OG SER A 67 -3.898 -14.112 10.673 1.00 0.00 O ATOM 0 H SER A 67 -1.677 -11.124 11.676 1.00 0.00 H new ATOM 0 HA SER A 67 -1.997 -13.857 12.389 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.701 -12.189 11.381 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.935 -12.497 9.835 1.00 0.00 H new ATOM 0 HG SER A 67 -4.740 -13.904 10.216 1.00 0.00 H new ATOM 1048 N LEU A 68 -0.288 -13.186 9.641 1.00 0.00 N ATOM 1049 CA LEU A 68 0.645 -13.752 8.673 1.00 0.00 C ATOM 1050 C LEU A 68 2.072 -13.727 9.212 1.00 0.00 C ATOM 1051 O LEU A 68 2.966 -14.372 8.663 1.00 0.00 O ATOM 1052 CB LEU A 68 0.573 -12.981 7.354 1.00 0.00 C ATOM 1053 CG LEU A 68 -0.802 -12.919 6.688 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -0.867 -11.759 5.706 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -1.114 -14.232 5.986 1.00 0.00 C ATOM 0 H LEU A 68 -0.460 -12.187 9.526 1.00 0.00 H new ATOM 0 HA LEU A 68 0.361 -14.789 8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.914 -11.961 7.533 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.274 -13.433 6.653 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.553 -12.756 7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.853 -11.730 5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.688 -10.823 6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.107 -11.891 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.096 -14.170 5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.360 -14.425 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.110 -15.044 6.714 1.00 0.00 H new ATOM 1067 N HIS A 69 2.278 -12.980 10.293 1.00 0.00 N ATOM 1068 CA HIS A 69 3.596 -12.873 10.908 1.00 0.00 C ATOM 1069 C HIS A 69 4.678 -12.697 9.848 1.00 0.00 C ATOM 1070 O HIS A 69 5.641 -13.464 9.795 1.00 0.00 O ATOM 1071 CB HIS A 69 3.889 -14.113 11.753 1.00 0.00 C ATOM 1072 CG HIS A 69 3.336 -15.378 11.172 1.00 0.00 C ATOM 1073 ND1 HIS A 69 4.062 -16.205 10.341 1.00 0.00 N ATOM 1074 CD2 HIS A 69 2.120 -15.957 11.308 1.00 0.00 C ATOM 1075 CE1 HIS A 69 3.316 -17.237 9.989 1.00 0.00 C ATOM 1076 NE2 HIS A 69 2.133 -17.111 10.563 1.00 0.00 N ATOM 0 H HIS A 69 1.549 -12.441 10.760 1.00 0.00 H new ATOM 0 HA HIS A 69 3.599 -11.994 11.553 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.968 -14.217 11.869 1.00 0.00 H new ATOM 0 HB3 HIS A 69 3.474 -13.969 12.751 1.00 0.00 H new ATOM 0 HD2 HIS A 69 1.294 -15.582 11.893 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.621 -18.046 9.342 1.00 0.00 H new ATOM 0 HE2 HIS A 69 1.356 -17.764 10.468 1.00 0.00 H new ATOM 1085 N LEU A 70 4.514 -11.684 9.005 1.00 0.00 N ATOM 1086 CA LEU A 70 5.477 -11.407 7.944 1.00 0.00 C ATOM 1087 C LEU A 70 6.892 -11.312 8.505 1.00 0.00 C ATOM 1088 O LEU A 70 7.102 -11.001 9.678 1.00 0.00 O ATOM 1089 CB LEU A 70 5.113 -10.108 7.224 1.00 0.00 C ATOM 1090 CG LEU A 70 3.914 -10.178 6.278 1.00 0.00 C ATOM 1091 CD1 LEU A 70 3.871 -11.523 5.569 1.00 0.00 C ATOM 1092 CD2 LEU A 70 2.619 -9.933 7.039 1.00 0.00 C ATOM 0 H LEU A 70 3.723 -11.040 9.035 1.00 0.00 H new ATOM 0 HA LEU A 70 5.443 -12.231 7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.914 -9.343 7.975 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.981 -9.776 6.654 1.00 0.00 H new ATOM 0 HG LEU A 70 4.023 -9.397 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.011 -11.554 4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.785 -11.659 4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.786 -12.321 6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.776 -9.987 6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.503 -10.691 7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.649 -8.946 7.500 1.00 0.00 H new ATOM 1104 N PRO A 71 7.888 -11.583 7.649 1.00 0.00 N ATOM 1105 CA PRO A 71 9.301 -11.531 8.036 1.00 0.00 C ATOM 1106 C PRO A 71 9.780 -10.107 8.295 1.00 0.00 C ATOM 1107 O PRO A 71 9.199 -9.144 7.792 1.00 0.00 O ATOM 1108 CB PRO A 71 10.023 -12.126 6.824 1.00 0.00 C ATOM 1109 CG PRO A 71 9.105 -11.877 5.677 1.00 0.00 C ATOM 1110 CD PRO A 71 7.712 -11.960 6.236 1.00 0.00 C ATOM 0 HA PRO A 71 9.488 -12.067 8.967 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.991 -11.650 6.667 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.209 -13.192 6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.290 -10.898 5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.254 -12.616 4.890 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.031 -11.282 5.721 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.298 -12.963 6.136 1.00 0.00 H new ATOM 1118 N LYS A 72 10.843 -9.978 9.081 1.00 0.00 N ATOM 1119 CA LYS A 72 11.402 -8.671 9.406 1.00 0.00 C ATOM 1120 C LYS A 72 11.360 -7.745 8.194 1.00 0.00 C ATOM 1121 O LYS A 72 10.874 -6.618 8.280 1.00 0.00 O ATOM 1122 CB LYS A 72 12.844 -8.818 9.898 1.00 0.00 C ATOM 1123 CG LYS A 72 13.461 -7.513 10.370 1.00 0.00 C ATOM 1124 CD LYS A 72 14.912 -7.700 10.782 1.00 0.00 C ATOM 1125 CE LYS A 72 15.353 -6.627 11.766 1.00 0.00 C ATOM 1126 NZ LYS A 72 15.860 -5.411 11.071 1.00 0.00 N ATOM 0 H LYS A 72 11.336 -10.764 9.505 1.00 0.00 H new ATOM 0 HA LYS A 72 10.797 -8.232 10.199 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.869 -9.538 10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.454 -9.228 9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.401 -6.772 9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.890 -7.123 11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.040 -8.684 11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.549 -7.669 9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.514 -6.356 12.407 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.133 -7.027 12.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.150 -4.704 11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.676 -5.665 10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.108 -5.014 10.472 1.00 0.00 H new ATOM 1140 N ASN A 73 11.871 -8.229 7.067 1.00 0.00 N ATOM 1141 CA ASN A 73 11.890 -7.445 5.837 1.00 0.00 C ATOM 1142 C ASN A 73 10.740 -7.846 4.918 1.00 0.00 C ATOM 1143 O ASN A 73 10.532 -9.027 4.647 1.00 0.00 O ATOM 1144 CB ASN A 73 13.225 -7.627 5.112 1.00 0.00 C ATOM 1145 CG ASN A 73 13.619 -6.402 4.310 1.00 0.00 C ATOM 1146 OD1 ASN A 73 12.830 -5.470 4.151 1.00 0.00 O ATOM 1147 ND2 ASN A 73 14.844 -6.399 3.799 1.00 0.00 N ATOM 0 H ASN A 73 12.278 -9.160 6.980 1.00 0.00 H new ATOM 0 HA ASN A 73 11.769 -6.395 6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 73 14.005 -7.846 5.842 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.160 -8.488 4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.165 -5.602 3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 73 15.464 -7.193 3.956 1.00 0.00 H new ATOM 1154 N ASN A 74 9.997 -6.852 4.442 1.00 0.00 N ATOM 1155 CA ASN A 74 8.868 -7.101 3.553 1.00 0.00 C ATOM 1156 C ASN A 74 9.028 -6.336 2.243 1.00 0.00 C ATOM 1157 O ASN A 74 9.686 -5.296 2.196 1.00 0.00 O ATOM 1158 CB ASN A 74 7.558 -6.700 4.234 1.00 0.00 C ATOM 1159 CG ASN A 74 7.048 -7.769 5.181 1.00 0.00 C ATOM 1160 OD1 ASN A 74 6.309 -8.668 4.781 1.00 0.00 O ATOM 1161 ND2 ASN A 74 7.442 -7.674 6.446 1.00 0.00 N ATOM 0 H ASN A 74 10.156 -5.868 4.657 1.00 0.00 H new ATOM 0 HA ASN A 74 8.842 -8.167 3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.708 -5.772 4.785 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.802 -6.501 3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.131 -8.364 7.130 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.055 -6.911 6.733 1.00 0.00 H new ATOM 1168 N SER A 75 8.422 -6.857 1.181 1.00 0.00 N ATOM 1169 CA SER A 75 8.499 -6.225 -0.131 1.00 0.00 C ATOM 1170 C SER A 75 7.140 -6.240 -0.823 1.00 0.00 C ATOM 1171 O SER A 75 6.666 -7.289 -1.262 1.00 0.00 O ATOM 1172 CB SER A 75 9.536 -6.936 -1.002 1.00 0.00 C ATOM 1173 OG SER A 75 9.297 -8.332 -1.043 1.00 0.00 O ATOM 0 H SER A 75 7.872 -7.716 1.203 1.00 0.00 H new ATOM 0 HA SER A 75 8.803 -5.188 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.507 -6.529 -2.013 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.536 -6.746 -0.611 1.00 0.00 H new ATOM 0 HG SER A 75 8.345 -8.496 -1.209 1.00 0.00 H new ATOM 1179 N LEU A 76 6.517 -5.071 -0.916 1.00 0.00 N ATOM 1180 CA LEU A 76 5.211 -4.947 -1.554 1.00 0.00 C ATOM 1181 C LEU A 76 5.283 -4.027 -2.768 1.00 0.00 C ATOM 1182 O LEU A 76 6.319 -3.419 -3.039 1.00 0.00 O ATOM 1183 CB LEU A 76 4.182 -4.415 -0.556 1.00 0.00 C ATOM 1184 CG LEU A 76 3.698 -5.406 0.503 1.00 0.00 C ATOM 1185 CD1 LEU A 76 2.906 -4.687 1.584 1.00 0.00 C ATOM 1186 CD2 LEU A 76 2.859 -6.502 -0.137 1.00 0.00 C ATOM 0 H LEU A 76 6.895 -4.194 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 76 4.903 -5.937 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.612 -3.552 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.316 -4.058 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 76 4.569 -5.868 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.570 -5.408 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.539 -3.939 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.041 -4.197 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.523 -7.198 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.993 -6.058 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.459 -7.036 -0.874 1.00 0.00 H new ATOM 1198 N TYR A 77 4.176 -3.928 -3.495 1.00 0.00 N ATOM 1199 CA TYR A 77 4.113 -3.081 -4.681 1.00 0.00 C ATOM 1200 C TYR A 77 2.678 -2.653 -4.969 1.00 0.00 C ATOM 1201 O TYR A 77 1.725 -3.303 -4.538 1.00 0.00 O ATOM 1202 CB TYR A 77 4.690 -3.819 -5.891 1.00 0.00 C ATOM 1203 CG TYR A 77 4.020 -5.146 -6.167 1.00 0.00 C ATOM 1204 CD1 TYR A 77 2.841 -5.212 -6.898 1.00 0.00 C ATOM 1205 CD2 TYR A 77 4.568 -6.333 -5.697 1.00 0.00 C ATOM 1206 CE1 TYR A 77 2.225 -6.423 -7.152 1.00 0.00 C ATOM 1207 CE2 TYR A 77 3.960 -7.548 -5.948 1.00 0.00 C ATOM 1208 CZ TYR A 77 2.789 -7.588 -6.675 1.00 0.00 C ATOM 1209 OH TYR A 77 2.179 -8.795 -6.927 1.00 0.00 O ATOM 0 H TYR A 77 3.310 -4.424 -3.284 1.00 0.00 H new ATOM 0 HA TYR A 77 4.708 -2.188 -4.491 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.596 -3.184 -6.772 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.755 -3.986 -5.730 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.398 -4.302 -7.274 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.484 -6.306 -5.126 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.307 -6.457 -7.721 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.400 -8.462 -5.577 1.00 0.00 H new ATOM 0 HH TYR A 77 2.704 -9.517 -6.523 1.00 0.00 H new ATOM 1219 N VAL A 78 2.531 -1.554 -5.702 1.00 0.00 N ATOM 1220 CA VAL A 78 1.213 -1.038 -6.051 1.00 0.00 C ATOM 1221 C VAL A 78 0.993 -1.065 -7.559 1.00 0.00 C ATOM 1222 O VAL A 78 1.941 -0.949 -8.338 1.00 0.00 O ATOM 1223 CB VAL A 78 1.021 0.403 -5.541 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -0.194 1.044 -6.195 1.00 0.00 C ATOM 1225 CG2 VAL A 78 0.891 0.419 -4.026 1.00 0.00 C ATOM 0 H VAL A 78 3.309 -1.004 -6.066 1.00 0.00 H new ATOM 0 HA VAL A 78 0.482 -1.687 -5.569 1.00 0.00 H new ATOM 0 HB VAL A 78 1.901 0.986 -5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.313 2.061 -5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.055 1.067 -7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.085 0.463 -5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.756 1.445 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.030 -0.179 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.794 0.003 -3.579 1.00 0.00 H new ATOM 1235 N LEU A 79 -0.262 -1.218 -7.966 1.00 0.00 N ATOM 1236 CA LEU A 79 -0.607 -1.260 -9.383 1.00 0.00 C ATOM 1237 C LEU A 79 -1.901 -0.498 -9.651 1.00 0.00 C ATOM 1238 O LEU A 79 -2.974 -0.894 -9.194 1.00 0.00 O ATOM 1239 CB LEU A 79 -0.750 -2.710 -9.851 1.00 0.00 C ATOM 1240 CG LEU A 79 0.320 -3.683 -9.354 1.00 0.00 C ATOM 1241 CD1 LEU A 79 -0.239 -5.096 -9.276 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.542 -3.641 -10.260 1.00 0.00 C ATOM 0 H LEU A 79 -1.058 -1.315 -7.335 1.00 0.00 H new ATOM 0 HA LEU A 79 0.198 -0.782 -9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.725 -3.079 -9.533 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.745 -2.721 -10.941 1.00 0.00 H new ATOM 0 HG LEU A 79 0.624 -3.378 -8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.536 -5.775 -8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.083 -5.116 -8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.571 -5.411 -10.265 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.293 -4.340 -9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.253 -3.920 -11.273 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.956 -2.633 -10.266 1.00 0.00 H new ATOM 1254 N THR A 80 -1.793 0.598 -10.396 1.00 0.00 N ATOM 1255 CA THR A 80 -2.953 1.415 -10.726 1.00 0.00 C ATOM 1256 C THR A 80 -3.360 1.229 -12.184 1.00 0.00 C ATOM 1257 O THR A 80 -2.845 1.890 -13.086 1.00 0.00 O ATOM 1258 CB THR A 80 -2.680 2.909 -10.468 1.00 0.00 C ATOM 1259 OG1 THR A 80 -1.751 3.411 -11.434 1.00 0.00 O ATOM 1260 CG2 THR A 80 -2.128 3.123 -9.067 1.00 0.00 C ATOM 0 H THR A 80 -0.913 0.940 -10.782 1.00 0.00 H new ATOM 0 HA THR A 80 -3.766 1.085 -10.079 1.00 0.00 H new ATOM 0 HB THR A 80 -3.623 3.449 -10.557 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.142 3.342 -12.330 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.943 4.185 -8.907 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.850 2.766 -8.333 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.195 2.571 -8.955 1.00 0.00 H new ATOM 1268 N PRO A 81 -4.307 0.309 -12.422 1.00 0.00 N ATOM 1269 CA PRO A 81 -4.805 0.016 -13.769 1.00 0.00 C ATOM 1270 C PRO A 81 -5.634 1.161 -14.342 1.00 0.00 C ATOM 1271 O PRO A 81 -5.425 1.582 -15.480 1.00 0.00 O ATOM 1272 CB PRO A 81 -5.676 -1.225 -13.563 1.00 0.00 C ATOM 1273 CG PRO A 81 -6.104 -1.155 -12.138 1.00 0.00 C ATOM 1274 CD PRO A 81 -4.964 -0.515 -11.394 1.00 0.00 C ATOM 0 HA PRO A 81 -3.993 -0.131 -14.481 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.534 -1.222 -14.235 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.117 -2.139 -13.764 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.017 -0.568 -12.033 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.317 -2.149 -11.745 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.318 0.090 -10.559 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.284 -1.261 -10.981 1.00 0.00 H new ATOM 1282 N ASP A 82 -6.575 1.659 -13.548 1.00 0.00 N ATOM 1283 CA ASP A 82 -7.435 2.756 -13.976 1.00 0.00 C ATOM 1284 C ASP A 82 -6.727 4.097 -13.811 1.00 0.00 C ATOM 1285 O ASP A 82 -6.532 4.832 -14.780 1.00 0.00 O ATOM 1286 CB ASP A 82 -8.739 2.751 -13.177 1.00 0.00 C ATOM 1287 CG ASP A 82 -9.580 1.520 -13.448 1.00 0.00 C ATOM 1288 OD1 ASP A 82 -9.198 0.425 -12.983 1.00 0.00 O ATOM 1289 OD2 ASP A 82 -10.621 1.650 -14.125 1.00 0.00 O ATOM 0 H ASP A 82 -6.762 1.320 -12.604 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.665 2.615 -15.032 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.510 2.803 -12.113 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.316 3.643 -13.423 1.00 0.00 H new ATOM 1294 N LEU A 83 -6.346 4.411 -12.578 1.00 0.00 N ATOM 1295 CA LEU A 83 -5.661 5.666 -12.285 1.00 0.00 C ATOM 1296 C LEU A 83 -4.314 5.729 -12.997 1.00 0.00 C ATOM 1297 O LEU A 83 -3.496 4.812 -12.913 1.00 0.00 O ATOM 1298 CB LEU A 83 -5.462 5.820 -10.776 1.00 0.00 C ATOM 1299 CG LEU A 83 -4.755 7.097 -10.320 1.00 0.00 C ATOM 1300 CD1 LEU A 83 -5.766 8.202 -10.057 1.00 0.00 C ATOM 1301 CD2 LEU A 83 -3.919 6.829 -9.077 1.00 0.00 C ATOM 0 H LEU A 83 -6.499 3.815 -11.765 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.282 6.485 -12.649 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.439 5.778 -10.295 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.892 4.964 -10.416 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.089 7.425 -11.118 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.245 9.103 -9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.321 8.413 -10.971 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.458 7.884 -9.277 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.423 7.749 -8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.565 6.476 -8.273 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.169 6.070 -9.300 1.00 0.00 H new