USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 828 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 65 GLN : amide:sc= -0.0193 K(o=-0.019,f=-0.74) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 TYR OH : rot 9:sc= -2.38 USER MOD Set 2.2: A 80 ASN :FLIP amide:sc= -5.32! C(o=-12!,f=-9.4!) USER MOD Set 2.3: A 97 THR OG1 : rot -130:sc= -1.74! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0872 K(o=-0.087,f=-2.3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS :FLIP no HE2:sc= -10.2! C(o=-14!,f=-10!) USER MOD Single : A 38 SER OG : rot -42:sc= 0.619 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -70:sc= 1.06 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -112:sc= -12.5! USER MOD Single : A 59 GLN : amide:sc= -0.162 K(o=-0.16,f=-2!) USER MOD Single : A 63 GLN : amide:sc= -0.0265 X(o=-0.026,f=0) USER MOD Single : A 67 SER OG : rot 161:sc= -0.63 USER MOD Single : A 69 GLN : amide:sc= -0.0342 X(o=-0.034,f=-0.18) USER MOD Single : A 70 THR OG1 : rot -61:sc= 1.14 USER MOD Single : A 72 SER OG : rot 180:sc= 0.407 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 104:sc= 1.24 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= -1.84 USER MOD Single : A 89 HIS :FLIP no HE2:sc= -2.15 F(o=-3.9!,f=-2.2) USER MOD Single : A 90 GLN : amide:sc= -0.762 K(o=-0.76,f=-1.6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N SER A 6 -5.770 7.209 -3.509 1.00 0.00 N ATOM 95 CA SER A 6 -5.867 6.757 -4.886 1.00 0.00 C ATOM 96 C SER A 6 -5.128 5.427 -5.053 1.00 0.00 C ATOM 97 O SER A 6 -4.335 5.267 -5.981 1.00 0.00 O ATOM 98 CB SER A 6 -5.304 7.803 -5.851 1.00 0.00 C ATOM 99 OG SER A 6 -6.323 8.653 -6.371 1.00 0.00 O ATOM 0 HA SER A 6 -6.921 6.613 -5.125 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.557 8.406 -5.336 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.796 7.301 -6.674 1.00 0.00 H new ATOM 0 HG SER A 6 -5.923 9.308 -6.981 1.00 0.00 H new ATOM 105 N VAL A 7 -5.415 4.509 -4.143 1.00 0.00 N ATOM 106 CA VAL A 7 -4.787 3.199 -4.179 1.00 0.00 C ATOM 107 C VAL A 7 -5.869 2.123 -4.291 1.00 0.00 C ATOM 108 O VAL A 7 -6.040 1.518 -5.348 1.00 0.00 O ATOM 109 CB VAL A 7 -3.887 3.017 -2.956 1.00 0.00 C ATOM 110 CG1 VAL A 7 -2.904 1.862 -3.164 1.00 0.00 C ATOM 111 CG2 VAL A 7 -3.146 4.313 -2.622 1.00 0.00 C ATOM 0 H VAL A 7 -6.074 4.646 -3.376 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.145 3.107 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.524 2.767 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.276 1.755 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.458 0.938 -3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.277 2.070 -4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.513 4.156 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.527 4.607 -3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.869 5.101 -2.409 1.00 0.00 H new ATOM 121 N LEU A 8 -6.570 1.917 -3.186 1.00 0.00 N ATOM 122 CA LEU A 8 -7.631 0.925 -3.147 1.00 0.00 C ATOM 123 C LEU A 8 -8.891 1.554 -2.549 1.00 0.00 C ATOM 124 O LEU A 8 -8.850 2.675 -2.044 1.00 0.00 O ATOM 125 CB LEU A 8 -7.162 -0.331 -2.409 1.00 0.00 C ATOM 126 CG LEU A 8 -6.206 -0.103 -1.237 1.00 0.00 C ATOM 127 CD1 LEU A 8 -6.220 -1.297 -0.279 1.00 0.00 C ATOM 128 CD2 LEU A 8 -4.795 0.216 -1.734 1.00 0.00 C ATOM 0 H LEU A 8 -6.424 2.420 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.885 0.599 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.040 -0.859 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.674 -0.989 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.553 0.765 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.532 -1.110 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.227 -1.437 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.911 -2.196 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.136 0.374 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.423 -0.616 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.820 1.118 -2.345 1.00 0.00 H new ATOM 140 N SER A 9 -9.981 0.806 -2.627 1.00 0.00 N ATOM 141 CA SER A 9 -11.251 1.276 -2.100 1.00 0.00 C ATOM 142 C SER A 9 -11.322 1.014 -0.594 1.00 0.00 C ATOM 143 O SER A 9 -10.360 0.531 0.002 1.00 0.00 O ATOM 144 CB SER A 9 -12.426 0.603 -2.812 1.00 0.00 C ATOM 145 OG SER A 9 -13.020 1.457 -3.786 1.00 0.00 O ATOM 0 H SER A 9 -10.011 -0.123 -3.047 1.00 0.00 H new ATOM 0 HA SER A 9 -11.319 2.349 -2.279 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.082 -0.312 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.177 0.313 -2.077 1.00 0.00 H new ATOM 0 HG SER A 9 -13.765 0.990 -4.219 1.00 0.00 H new ATOM 151 N GLY A 10 -12.471 1.343 -0.022 1.00 0.00 N ATOM 152 CA GLY A 10 -12.680 1.149 1.403 1.00 0.00 C ATOM 153 C GLY A 10 -12.510 -0.322 1.787 1.00 0.00 C ATOM 154 O GLY A 10 -11.647 -0.661 2.595 1.00 0.00 O ATOM 0 H GLY A 10 -13.267 1.743 -0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.972 1.759 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.679 1.487 1.677 1.00 0.00 H new ATOM 158 N GLY A 11 -13.347 -1.156 1.189 1.00 0.00 N ATOM 159 CA GLY A 11 -13.300 -2.584 1.459 1.00 0.00 C ATOM 160 C GLY A 11 -11.878 -3.125 1.302 1.00 0.00 C ATOM 161 O GLY A 11 -11.377 -3.826 2.180 1.00 0.00 O ATOM 0 H GLY A 11 -14.061 -0.871 0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.657 -2.778 2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.970 -3.109 0.778 1.00 0.00 H new ATOM 165 N GLU A 12 -11.268 -2.780 0.177 1.00 0.00 N ATOM 166 CA GLU A 12 -9.913 -3.223 -0.106 1.00 0.00 C ATOM 167 C GLU A 12 -8.950 -2.697 0.961 1.00 0.00 C ATOM 168 O GLU A 12 -7.947 -3.340 1.267 1.00 0.00 O ATOM 169 CB GLU A 12 -9.475 -2.786 -1.504 1.00 0.00 C ATOM 170 CG GLU A 12 -10.071 -3.699 -2.577 1.00 0.00 C ATOM 171 CD GLU A 12 -11.516 -3.306 -2.892 1.00 0.00 C ATOM 172 OE1 GLU A 12 -12.399 -3.721 -2.110 1.00 0.00 O ATOM 173 OE2 GLU A 12 -11.704 -2.599 -3.906 1.00 0.00 O ATOM 0 H GLU A 12 -11.687 -2.199 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.894 -4.313 -0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.788 -1.757 -1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.387 -2.804 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.469 -3.641 -3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.038 -4.734 -2.238 1.00 0.00 H new ATOM 180 N LEU A 13 -9.288 -1.534 1.496 1.00 0.00 N ATOM 181 CA LEU A 13 -8.466 -0.914 2.522 1.00 0.00 C ATOM 182 C LEU A 13 -8.508 -1.770 3.789 1.00 0.00 C ATOM 183 O LEU A 13 -7.475 -2.026 4.405 1.00 0.00 O ATOM 184 CB LEU A 13 -8.891 0.537 2.746 1.00 0.00 C ATOM 185 CG LEU A 13 -7.820 1.599 2.488 1.00 0.00 C ATOM 186 CD1 LEU A 13 -6.451 1.125 2.981 1.00 0.00 C ATOM 187 CD2 LEU A 13 -7.790 2.000 1.011 1.00 0.00 C ATOM 0 H LEU A 13 -10.120 -1.004 1.239 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.425 -0.870 2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.745 0.748 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.235 0.639 3.775 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.078 2.491 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.707 1.897 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.498 0.928 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.172 0.211 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.020 2.756 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.568 1.125 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.760 2.406 0.724 1.00 0.00 H new ATOM 199 N ASP A 14 -9.715 -2.190 4.141 1.00 0.00 N ATOM 200 CA ASP A 14 -9.906 -3.012 5.324 1.00 0.00 C ATOM 201 C ASP A 14 -9.123 -4.316 5.165 1.00 0.00 C ATOM 202 O ASP A 14 -8.461 -4.765 6.101 1.00 0.00 O ATOM 203 CB ASP A 14 -11.381 -3.367 5.516 1.00 0.00 C ATOM 204 CG ASP A 14 -12.092 -2.599 6.633 1.00 0.00 C ATOM 205 OD1 ASP A 14 -11.860 -2.960 7.806 1.00 0.00 O ATOM 206 OD2 ASP A 14 -12.850 -1.667 6.288 1.00 0.00 O ATOM 0 H ASP A 14 -10.570 -1.976 3.628 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.556 -2.446 6.188 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.908 -3.186 4.579 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.458 -4.434 5.724 1.00 0.00 H new ATOM 211 N LYS A 15 -9.224 -4.889 3.975 1.00 0.00 N ATOM 212 CA LYS A 15 -8.533 -6.133 3.682 1.00 0.00 C ATOM 213 C LYS A 15 -7.031 -5.866 3.577 1.00 0.00 C ATOM 214 O LYS A 15 -6.220 -6.765 3.789 1.00 0.00 O ATOM 215 CB LYS A 15 -9.128 -6.796 2.438 1.00 0.00 C ATOM 216 CG LYS A 15 -8.933 -8.314 2.478 1.00 0.00 C ATOM 217 CD LYS A 15 -10.098 -9.035 1.797 1.00 0.00 C ATOM 218 CE LYS A 15 -11.282 -9.188 2.754 1.00 0.00 C ATOM 219 NZ LYS A 15 -12.028 -10.432 2.460 1.00 0.00 N ATOM 0 H LYS A 15 -9.774 -4.515 3.202 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.674 -6.846 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.191 -6.564 2.371 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.656 -6.389 1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.998 -8.577 1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.850 -8.646 3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.409 -8.477 0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.773 -10.018 1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.925 -9.206 3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.946 -8.328 2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.828 -10.521 3.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.385 -10.400 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.396 -11.250 2.571 1.00 0.00 H new ATOM 233 N TRP A 16 -6.706 -4.624 3.250 1.00 0.00 N ATOM 234 CA TRP A 16 -5.315 -4.226 3.114 1.00 0.00 C ATOM 235 C TRP A 16 -4.674 -4.267 4.502 1.00 0.00 C ATOM 236 O TRP A 16 -3.545 -4.731 4.655 1.00 0.00 O ATOM 237 CB TRP A 16 -5.199 -2.856 2.443 1.00 0.00 C ATOM 238 CG TRP A 16 -3.988 -2.040 2.898 1.00 0.00 C ATOM 239 CD1 TRP A 16 -3.932 -1.113 3.864 1.00 0.00 C ATOM 240 CD2 TRP A 16 -2.649 -2.115 2.362 1.00 0.00 C ATOM 241 NE1 TRP A 16 -2.663 -0.588 3.990 1.00 0.00 N ATOM 242 CE2 TRP A 16 -1.858 -1.217 3.047 1.00 0.00 C ATOM 243 CE3 TRP A 16 -2.127 -2.916 1.332 1.00 0.00 C ATOM 244 CZ2 TRP A 16 -0.496 -1.035 2.778 1.00 0.00 C ATOM 245 CZ3 TRP A 16 -0.764 -2.723 1.075 1.00 0.00 C ATOM 246 CH2 TRP A 16 0.047 -1.822 1.756 1.00 0.00 C ATOM 0 H TRP A 16 -7.382 -3.880 3.075 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.779 -4.916 2.462 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.145 -2.995 1.363 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -6.105 -2.286 2.646 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -4.776 -0.814 4.469 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.369 0.129 4.653 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.729 -3.624 0.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 0.103 -0.326 3.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -0.311 -3.315 0.293 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.092 -1.730 1.497 1.00 0.00 H new ATOM 257 N GLU A 17 -5.421 -3.775 5.480 1.00 0.00 N ATOM 258 CA GLU A 17 -4.940 -3.750 6.850 1.00 0.00 C ATOM 259 C GLU A 17 -5.269 -5.069 7.553 1.00 0.00 C ATOM 260 O GLU A 17 -5.657 -5.075 8.720 1.00 0.00 O ATOM 261 CB GLU A 17 -5.525 -2.560 7.615 1.00 0.00 C ATOM 262 CG GLU A 17 -5.404 -1.271 6.800 1.00 0.00 C ATOM 263 CD GLU A 17 -5.777 -0.052 7.645 1.00 0.00 C ATOM 264 OE1 GLU A 17 -6.396 -0.266 8.709 1.00 0.00 O ATOM 265 OE2 GLU A 17 -5.435 1.068 7.207 1.00 0.00 O ATOM 0 H GLU A 17 -6.357 -3.390 5.350 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.857 -3.631 6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.573 -2.751 7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.005 -2.443 8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.384 -1.164 6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.054 -1.326 5.927 1.00 0.00 H new ATOM 272 N LYS A 18 -5.102 -6.154 6.812 1.00 0.00 N ATOM 273 CA LYS A 18 -5.376 -7.476 7.349 1.00 0.00 C ATOM 274 C LYS A 18 -4.072 -8.273 7.423 1.00 0.00 C ATOM 275 O LYS A 18 -4.021 -9.330 8.049 1.00 0.00 O ATOM 276 CB LYS A 18 -6.473 -8.167 6.537 1.00 0.00 C ATOM 277 CG LYS A 18 -7.108 -9.310 7.334 1.00 0.00 C ATOM 278 CD LYS A 18 -8.632 -9.178 7.363 1.00 0.00 C ATOM 279 CE LYS A 18 -9.304 -10.504 7.004 1.00 0.00 C ATOM 280 NZ LYS A 18 -10.382 -10.816 7.970 1.00 0.00 N ATOM 0 H LYS A 18 -4.780 -6.145 5.844 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.762 -7.401 8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.239 -7.441 6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.054 -8.555 5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.831 -10.266 6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.720 -9.307 8.353 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.954 -8.860 8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.947 -8.405 6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.715 -10.449 5.996 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.565 -11.305 7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.828 -11.719 7.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.981 -10.889 8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.095 -10.059 7.950 1.00 0.00 H new ATOM 294 N ILE A 19 -3.050 -7.734 6.775 1.00 0.00 N ATOM 295 CA ILE A 19 -1.748 -8.382 6.759 1.00 0.00 C ATOM 296 C ILE A 19 -0.947 -7.935 7.984 1.00 0.00 C ATOM 297 O ILE A 19 -0.869 -6.743 8.279 1.00 0.00 O ATOM 298 CB ILE A 19 -1.037 -8.121 5.430 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.989 -8.326 4.250 1.00 0.00 C ATOM 300 CG2 ILE A 19 0.223 -8.982 5.306 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.598 -6.996 3.801 1.00 0.00 C ATOM 0 H ILE A 19 -3.096 -6.856 6.257 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.859 -9.464 6.827 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.719 -7.078 5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.451 -8.783 3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.783 -9.016 4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.711 -8.778 4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.907 -8.746 6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.050 -10.036 5.356 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.271 -7.169 2.961 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.155 -6.554 4.627 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.803 -6.317 3.495 1.00 0.00 H new ATOM 313 N ARG A 20 -0.371 -8.915 8.664 1.00 0.00 N ATOM 314 CA ARG A 20 0.423 -8.638 9.849 1.00 0.00 C ATOM 315 C ARG A 20 1.869 -8.329 9.460 1.00 0.00 C ATOM 316 O ARG A 20 2.358 -8.811 8.438 1.00 0.00 O ATOM 317 CB ARG A 20 0.404 -9.824 10.814 1.00 0.00 C ATOM 318 CG ARG A 20 -0.844 -9.794 11.698 1.00 0.00 C ATOM 319 CD ARG A 20 -0.483 -10.038 13.165 1.00 0.00 C ATOM 320 NE ARG A 20 -1.688 -10.446 13.921 1.00 0.00 N ATOM 321 CZ ARG A 20 -2.710 -9.628 14.206 1.00 0.00 C ATOM 322 NH1 ARG A 20 -2.679 -8.351 13.799 1.00 0.00 N ATOM 323 NH2 ARG A 20 -3.763 -10.085 14.898 1.00 0.00 N ATOM 0 H ARG A 20 -0.438 -9.902 8.417 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.015 -7.773 10.346 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.432 -10.756 10.250 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.297 -9.803 11.439 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.342 -8.829 11.598 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.550 -10.554 11.362 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.281 -10.812 13.236 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.060 -9.132 13.600 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.744 -11.411 14.246 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.878 -8.003 13.273 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.457 -7.728 14.016 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.787 -11.056 15.208 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.541 -9.461 15.114 1.00 0.00 H new ATOM 337 N LEU A 21 2.515 -7.527 10.294 1.00 0.00 N ATOM 338 CA LEU A 21 3.897 -7.147 10.048 1.00 0.00 C ATOM 339 C LEU A 21 4.820 -8.272 10.519 1.00 0.00 C ATOM 340 O LEU A 21 5.851 -8.534 9.900 1.00 0.00 O ATOM 341 CB LEU A 21 4.201 -5.792 10.690 1.00 0.00 C ATOM 342 CG LEU A 21 3.221 -4.663 10.370 1.00 0.00 C ATOM 343 CD1 LEU A 21 3.543 -3.409 11.186 1.00 0.00 C ATOM 344 CD2 LEU A 21 3.186 -4.376 8.867 1.00 0.00 C ATOM 0 H LEU A 21 2.108 -7.130 11.141 1.00 0.00 H new ATOM 0 HA LEU A 21 4.073 -7.015 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.232 -5.924 11.772 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.198 -5.480 10.378 1.00 0.00 H new ATOM 0 HG LEU A 21 2.221 -4.987 10.659 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.831 -2.621 10.939 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.475 -3.639 12.249 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.553 -3.072 10.952 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.481 -3.569 8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.180 -4.082 8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.872 -5.273 8.333 1.00 0.00 H new ATOM 356 N ARG A 22 4.418 -8.908 11.610 1.00 0.00 N ATOM 357 CA ARG A 22 5.197 -9.999 12.171 1.00 0.00 C ATOM 358 C ARG A 22 4.293 -11.193 12.480 1.00 0.00 C ATOM 359 O ARG A 22 3.099 -11.025 12.725 1.00 0.00 O ATOM 360 CB ARG A 22 5.912 -9.564 13.452 1.00 0.00 C ATOM 361 CG ARG A 22 7.188 -8.783 13.129 1.00 0.00 C ATOM 362 CD ARG A 22 6.935 -7.276 13.177 1.00 0.00 C ATOM 363 NE ARG A 22 7.738 -6.594 12.137 1.00 0.00 N ATOM 364 CZ ARG A 22 9.078 -6.544 12.136 1.00 0.00 C ATOM 365 NH1 ARG A 22 9.771 -7.133 13.119 1.00 0.00 N ATOM 366 NH2 ARG A 22 9.723 -5.904 11.151 1.00 0.00 N ATOM 0 H ARG A 22 3.563 -8.688 12.120 1.00 0.00 H new ATOM 0 HA ARG A 22 5.944 -10.287 11.431 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.245 -8.946 14.053 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.160 -10.441 14.050 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.970 -9.047 13.841 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.550 -9.063 12.140 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.876 -7.072 13.022 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.194 -6.887 14.162 1.00 0.00 H new ATOM 0 HE ARG A 22 7.241 -6.134 11.374 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.280 -7.620 13.869 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.790 -7.095 13.118 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.195 -5.455 10.403 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.742 -5.866 11.150 1.00 0.00 H new ATOM 380 N PRO A 23 4.911 -12.404 12.457 1.00 0.00 N ATOM 381 CA PRO A 23 4.175 -13.626 12.733 1.00 0.00 C ATOM 382 C PRO A 23 3.882 -13.764 14.228 1.00 0.00 C ATOM 383 O PRO A 23 2.823 -14.258 14.614 1.00 0.00 O ATOM 384 CB PRO A 23 5.052 -14.744 12.193 1.00 0.00 C ATOM 385 CG PRO A 23 6.446 -14.153 12.058 1.00 0.00 C ATOM 386 CD PRO A 23 6.323 -12.641 12.171 1.00 0.00 C ATOM 0 HA PRO A 23 3.194 -13.643 12.258 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.054 -15.599 12.869 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.684 -15.099 11.231 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.103 -14.542 12.836 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.887 -14.430 11.101 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.959 -12.250 12.965 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.628 -12.149 11.248 1.00 0.00 H new ATOM 394 N GLY A 24 4.838 -13.320 15.029 1.00 0.00 N ATOM 395 CA GLY A 24 4.696 -13.388 16.474 1.00 0.00 C ATOM 396 C GLY A 24 4.385 -12.010 17.060 1.00 0.00 C ATOM 397 O GLY A 24 4.223 -11.868 18.271 1.00 0.00 O ATOM 0 H GLY A 24 5.715 -12.911 14.705 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.899 -14.085 16.732 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.614 -13.776 16.915 1.00 0.00 H new ATOM 401 N GLY A 25 4.309 -11.028 16.173 1.00 0.00 N ATOM 402 CA GLY A 25 4.018 -9.666 16.588 1.00 0.00 C ATOM 403 C GLY A 25 2.512 -9.399 16.578 1.00 0.00 C ATOM 404 O GLY A 25 1.715 -10.323 16.418 1.00 0.00 O ATOM 0 H GLY A 25 4.444 -11.149 15.169 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.415 -9.495 17.589 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.520 -8.964 15.922 1.00 0.00 H new ATOM 408 N LYS A 26 2.167 -8.132 16.753 1.00 0.00 N ATOM 409 CA LYS A 26 0.771 -7.732 16.767 1.00 0.00 C ATOM 410 C LYS A 26 0.604 -6.447 15.954 1.00 0.00 C ATOM 411 O LYS A 26 -0.046 -5.503 16.403 1.00 0.00 O ATOM 412 CB LYS A 26 0.260 -7.620 18.205 1.00 0.00 C ATOM 413 CG LYS A 26 0.961 -6.482 18.950 1.00 0.00 C ATOM 414 CD LYS A 26 -0.050 -5.448 19.447 1.00 0.00 C ATOM 415 CE LYS A 26 0.660 -4.210 20.001 1.00 0.00 C ATOM 416 NZ LYS A 26 1.279 -4.511 21.311 1.00 0.00 N ATOM 0 H LYS A 26 2.831 -7.369 16.886 1.00 0.00 H new ATOM 0 HA LYS A 26 0.153 -8.493 16.291 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.816 -7.447 18.200 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.429 -8.561 18.729 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.519 -6.885 19.795 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.684 -6.002 18.290 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.711 -5.158 18.630 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.677 -5.890 20.222 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.424 -3.877 19.299 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.053 -3.392 20.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.756 -3.661 21.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.543 -4.807 21.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.974 -5.277 21.199 1.00 0.00 H new ATOM 430 N LYS A 27 1.201 -6.451 14.771 1.00 0.00 N ATOM 431 CA LYS A 27 1.128 -5.297 13.892 1.00 0.00 C ATOM 432 C LYS A 27 0.615 -5.739 12.519 1.00 0.00 C ATOM 433 O LYS A 27 0.676 -6.920 12.182 1.00 0.00 O ATOM 434 CB LYS A 27 2.476 -4.574 13.841 1.00 0.00 C ATOM 435 CG LYS A 27 2.979 -4.253 15.250 1.00 0.00 C ATOM 436 CD LYS A 27 3.654 -2.881 15.291 1.00 0.00 C ATOM 437 CE LYS A 27 3.255 -2.111 16.552 1.00 0.00 C ATOM 438 NZ LYS A 27 3.042 -0.681 16.241 1.00 0.00 N ATOM 0 H LYS A 27 1.738 -7.236 14.401 1.00 0.00 H new ATOM 0 HA LYS A 27 0.417 -4.568 14.280 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.207 -5.195 13.323 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.377 -3.652 13.267 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.145 -4.273 15.951 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.684 -5.019 15.572 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.737 -3.003 15.263 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.375 -2.308 14.407 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.344 -2.537 16.972 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.033 -2.213 17.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.772 -0.174 17.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.920 -0.274 15.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.284 -0.588 15.535 1.00 0.00 H new ATOM 452 N GLN A 28 0.121 -4.767 11.767 1.00 0.00 N ATOM 453 CA GLN A 28 -0.402 -5.042 10.440 1.00 0.00 C ATOM 454 C GLN A 28 -0.323 -3.786 9.568 1.00 0.00 C ATOM 455 O GLN A 28 0.151 -2.744 10.016 1.00 0.00 O ATOM 456 CB GLN A 28 -1.837 -5.568 10.513 1.00 0.00 C ATOM 457 CG GLN A 28 -2.693 -4.699 11.437 1.00 0.00 C ATOM 458 CD GLN A 28 -3.472 -5.559 12.434 1.00 0.00 C ATOM 459 OE1 GLN A 28 -3.175 -5.609 13.615 1.00 0.00 O ATOM 460 NE2 GLN A 28 -4.484 -6.232 11.892 1.00 0.00 N ATOM 0 H GLN A 28 0.072 -3.789 12.051 1.00 0.00 H new ATOM 0 HA GLN A 28 0.212 -5.819 9.983 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.274 -5.583 9.514 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.833 -6.596 10.875 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.056 -3.998 11.976 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.388 -4.105 10.843 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.678 -6.145 10.894 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.065 -6.835 12.474 1.00 0.00 H new ATOM 469 N TYR A 29 -0.794 -3.929 8.338 1.00 0.00 N ATOM 470 CA TYR A 29 -0.782 -2.820 7.399 1.00 0.00 C ATOM 471 C TYR A 29 -1.799 -1.750 7.801 1.00 0.00 C ATOM 472 O TYR A 29 -2.801 -2.053 8.447 1.00 0.00 O ATOM 473 CB TYR A 29 -1.185 -3.407 6.046 1.00 0.00 C ATOM 474 CG TYR A 29 -0.046 -4.115 5.309 1.00 0.00 C ATOM 475 CD1 TYR A 29 0.850 -4.895 6.012 1.00 0.00 C ATOM 476 CD2 TYR A 29 0.086 -3.973 3.944 1.00 0.00 C ATOM 477 CE1 TYR A 29 1.922 -5.561 5.320 1.00 0.00 C ATOM 478 CE2 TYR A 29 1.158 -4.640 3.250 1.00 0.00 C ATOM 479 CZ TYR A 29 2.024 -5.402 3.972 1.00 0.00 C ATOM 480 OH TYR A 29 3.037 -6.030 3.319 1.00 0.00 O ATOM 0 H TYR A 29 -1.186 -4.796 7.970 1.00 0.00 H new ATOM 0 HA TYR A 29 0.201 -2.350 7.374 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.001 -4.114 6.197 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.570 -2.606 5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.747 -5.006 7.081 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.615 -3.361 3.395 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.630 -6.174 5.859 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.272 -4.538 2.181 1.00 0.00 H new ATOM 0 HH TYR A 29 3.490 -6.646 3.933 1.00 0.00 H new ATOM 490 N LYS A 30 -1.507 -0.521 7.402 1.00 0.00 N ATOM 491 CA LYS A 30 -2.383 0.596 7.713 1.00 0.00 C ATOM 492 C LYS A 30 -2.051 1.771 6.792 1.00 0.00 C ATOM 493 O LYS A 30 -1.099 1.707 6.015 1.00 0.00 O ATOM 494 CB LYS A 30 -2.306 0.939 9.202 1.00 0.00 C ATOM 495 CG LYS A 30 -0.884 1.342 9.598 1.00 0.00 C ATOM 496 CD LYS A 30 -0.475 0.683 10.916 1.00 0.00 C ATOM 497 CE LYS A 30 -0.478 1.699 12.061 1.00 0.00 C ATOM 498 NZ LYS A 30 0.890 1.883 12.594 1.00 0.00 N ATOM 0 H LYS A 30 -0.675 -0.274 6.866 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.423 0.329 7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.995 1.753 9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.623 0.080 9.794 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.188 1.053 8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.823 2.426 9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.160 -0.133 11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.518 0.246 10.815 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.868 2.653 11.707 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.142 1.358 12.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.870 2.575 13.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.249 0.974 12.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.514 2.229 11.837 1.00 0.00 H new ATOM 512 N LEU A 31 -2.854 2.819 6.910 1.00 0.00 N ATOM 513 CA LEU A 31 -2.656 4.007 6.097 1.00 0.00 C ATOM 514 C LEU A 31 -1.241 4.544 6.321 1.00 0.00 C ATOM 515 O LEU A 31 -0.700 5.251 5.472 1.00 0.00 O ATOM 516 CB LEU A 31 -3.755 5.035 6.375 1.00 0.00 C ATOM 517 CG LEU A 31 -4.323 5.758 5.152 1.00 0.00 C ATOM 518 CD1 LEU A 31 -3.226 6.519 4.407 1.00 0.00 C ATOM 519 CD2 LEU A 31 -5.069 4.783 4.237 1.00 0.00 C ATOM 0 H LEU A 31 -3.642 2.870 7.556 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.740 3.762 5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.575 4.531 6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.360 5.782 7.063 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.048 6.495 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.656 7.024 3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.779 7.257 5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.459 5.819 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.463 5.322 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.384 4.006 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.892 4.326 4.786 1.00 0.00 H new ATOM 531 N LYS A 32 -0.683 4.188 7.468 1.00 0.00 N ATOM 532 CA LYS A 32 0.658 4.625 7.815 1.00 0.00 C ATOM 533 C LYS A 32 1.658 4.025 6.825 1.00 0.00 C ATOM 534 O LYS A 32 2.541 4.723 6.328 1.00 0.00 O ATOM 535 CB LYS A 32 0.969 4.296 9.277 1.00 0.00 C ATOM 536 CG LYS A 32 2.144 5.131 9.790 1.00 0.00 C ATOM 537 CD LYS A 32 1.650 6.360 10.555 1.00 0.00 C ATOM 538 CE LYS A 32 2.655 6.776 11.632 1.00 0.00 C ATOM 539 NZ LYS A 32 2.097 7.862 12.468 1.00 0.00 N ATOM 0 H LYS A 32 -1.135 3.602 8.169 1.00 0.00 H new ATOM 0 HA LYS A 32 0.737 5.709 7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.089 4.485 9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.203 3.236 9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.772 4.521 10.440 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.765 5.446 8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.493 7.186 9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.686 6.143 11.016 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.903 5.918 12.257 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.582 7.108 11.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.791 8.133 13.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.882 8.685 11.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.225 7.532 12.929 1.00 0.00 H new ATOM 553 N HIS A 33 1.486 2.737 6.567 1.00 0.00 N ATOM 554 CA HIS A 33 2.362 2.034 5.644 1.00 0.00 C ATOM 555 C HIS A 33 2.077 2.496 4.214 1.00 0.00 C ATOM 556 O HIS A 33 2.990 2.597 3.397 1.00 0.00 O ATOM 557 CB HIS A 33 2.229 0.520 5.816 1.00 0.00 C ATOM 558 CG HIS A 33 2.259 0.060 7.254 1.00 0.00 C ATOM 559 ND1 HIS A 33 2.327 0.771 8.416 1.00 0.00 N flip ATOM 560 CD2 HIS A 33 2.218 -1.275 7.615 1.00 0.00 C flip ATOM 561 CE1 HIS A 33 2.325 -0.084 9.431 1.00 0.00 C flip ATOM 562 NE2 HIS A 33 2.259 -1.353 8.936 1.00 0.00 N flip ATOM 0 H HIS A 33 0.753 2.161 6.981 1.00 0.00 H new ATOM 0 HA HIS A 33 3.401 2.276 5.867 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.294 0.194 5.360 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.037 0.031 5.272 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.372 1.787 8.492 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.162 -2.112 6.934 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.368 0.182 10.477 1.00 0.00 H new ATOM 571 N ILE A 34 0.805 2.765 3.955 1.00 0.00 N ATOM 572 CA ILE A 34 0.388 3.214 2.637 1.00 0.00 C ATOM 573 C ILE A 34 0.982 4.596 2.363 1.00 0.00 C ATOM 574 O ILE A 34 1.378 4.893 1.237 1.00 0.00 O ATOM 575 CB ILE A 34 -1.136 3.163 2.512 1.00 0.00 C ATOM 576 CG1 ILE A 34 -1.619 1.732 2.268 1.00 0.00 C ATOM 577 CG2 ILE A 34 -1.629 4.127 1.431 1.00 0.00 C ATOM 578 CD1 ILE A 34 -3.126 1.700 2.008 1.00 0.00 C ATOM 0 H ILE A 34 0.050 2.681 4.635 1.00 0.00 H new ATOM 0 HA ILE A 34 0.770 2.544 1.867 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.568 3.491 3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.090 1.306 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.382 1.112 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.715 4.072 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.333 5.144 1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.190 3.853 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.444 0.671 1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.653 2.104 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.356 2.301 1.129 1.00 0.00 H new ATOM 590 N VAL A 35 1.027 5.406 3.411 1.00 0.00 N ATOM 591 CA VAL A 35 1.566 6.750 3.297 1.00 0.00 C ATOM 592 C VAL A 35 3.081 6.672 3.099 1.00 0.00 C ATOM 593 O VAL A 35 3.648 7.428 2.313 1.00 0.00 O ATOM 594 CB VAL A 35 1.164 7.580 4.517 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.084 8.793 4.681 1.00 0.00 C ATOM 596 CG2 VAL A 35 -0.301 8.011 4.430 1.00 0.00 C ATOM 0 H VAL A 35 0.698 5.156 4.344 1.00 0.00 H new ATOM 0 HA VAL A 35 1.150 7.256 2.426 1.00 0.00 H new ATOM 0 HB VAL A 35 1.275 6.952 5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.777 9.367 5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.112 8.455 4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.019 9.422 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.560 8.600 5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.450 8.613 3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.938 7.128 4.384 1.00 0.00 H new ATOM 606 N TRP A 36 3.694 5.749 3.827 1.00 0.00 N ATOM 607 CA TRP A 36 5.133 5.562 3.741 1.00 0.00 C ATOM 608 C TRP A 36 5.466 5.106 2.319 1.00 0.00 C ATOM 609 O TRP A 36 6.361 5.658 1.681 1.00 0.00 O ATOM 610 CB TRP A 36 5.623 4.586 4.812 1.00 0.00 C ATOM 611 CG TRP A 36 7.117 4.268 4.726 1.00 0.00 C ATOM 612 CD1 TRP A 36 8.151 5.093 4.939 1.00 0.00 C ATOM 613 CD2 TRP A 36 7.706 2.992 4.394 1.00 0.00 C ATOM 614 NE1 TRP A 36 9.358 4.447 4.768 1.00 0.00 N ATOM 615 CE2 TRP A 36 9.079 3.129 4.427 1.00 0.00 C ATOM 616 CE3 TRP A 36 7.100 1.765 4.077 1.00 0.00 C ATOM 617 CZ2 TRP A 36 9.961 2.078 4.152 1.00 0.00 C ATOM 618 CZ3 TRP A 36 7.994 0.723 3.805 1.00 0.00 C ATOM 619 CH2 TRP A 36 9.379 0.845 3.832 1.00 0.00 C ATOM 0 H TRP A 36 3.221 5.123 4.479 1.00 0.00 H new ATOM 0 HA TRP A 36 5.657 6.497 3.938 1.00 0.00 H new ATOM 0 HB2 TRP A 36 5.407 5.003 5.796 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.059 3.657 4.728 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.052 6.134 5.211 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.284 4.861 4.873 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.028 1.636 4.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 11.032 2.210 4.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 7.579 -0.243 3.557 1.00 0.00 H new ATOM 0 HH2 TRP A 36 10.003 -0.007 3.607 1.00 0.00 H new ATOM 630 N ALA A 37 4.729 4.103 1.865 1.00 0.00 N ATOM 631 CA ALA A 37 4.935 3.567 0.530 1.00 0.00 C ATOM 632 C ALA A 37 4.688 4.669 -0.502 1.00 0.00 C ATOM 633 O ALA A 37 5.477 4.844 -1.428 1.00 0.00 O ATOM 634 CB ALA A 37 4.024 2.355 0.320 1.00 0.00 C ATOM 0 H ALA A 37 3.988 3.647 2.398 1.00 0.00 H new ATOM 0 HA ALA A 37 5.963 3.227 0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.178 1.953 -0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.261 1.589 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.983 2.658 0.433 1.00 0.00 H new ATOM 640 N SER A 38 3.589 5.382 -0.306 1.00 0.00 N ATOM 641 CA SER A 38 3.228 6.463 -1.208 1.00 0.00 C ATOM 642 C SER A 38 4.366 7.482 -1.285 1.00 0.00 C ATOM 643 O SER A 38 4.703 7.961 -2.367 1.00 0.00 O ATOM 644 CB SER A 38 1.933 7.144 -0.762 1.00 0.00 C ATOM 645 OG SER A 38 2.150 8.047 0.320 1.00 0.00 O ATOM 0 H SER A 38 2.937 5.233 0.464 1.00 0.00 H new ATOM 0 HA SER A 38 3.060 6.040 -2.199 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.499 7.684 -1.603 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.209 6.386 -0.462 1.00 0.00 H new ATOM 0 HG SER A 38 2.770 7.644 0.963 1.00 0.00 H new ATOM 651 N ARG A 39 4.925 7.786 -0.123 1.00 0.00 N ATOM 652 CA ARG A 39 6.017 8.741 -0.045 1.00 0.00 C ATOM 653 C ARG A 39 7.229 8.226 -0.825 1.00 0.00 C ATOM 654 O ARG A 39 7.909 8.996 -1.501 1.00 0.00 O ATOM 655 CB ARG A 39 6.424 8.994 1.408 1.00 0.00 C ATOM 656 CG ARG A 39 6.251 10.468 1.777 1.00 0.00 C ATOM 657 CD ARG A 39 5.908 10.626 3.260 1.00 0.00 C ATOM 658 NE ARG A 39 6.649 11.773 3.831 1.00 0.00 N ATOM 659 CZ ARG A 39 6.267 12.442 4.927 1.00 0.00 C ATOM 660 NH1 ARG A 39 5.152 12.083 5.578 1.00 0.00 N ATOM 661 NH2 ARG A 39 7.001 13.471 5.375 1.00 0.00 N ATOM 0 H ARG A 39 4.642 7.388 0.772 1.00 0.00 H new ATOM 0 HA ARG A 39 5.671 9.678 -0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.819 8.376 2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.463 8.698 1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.168 11.013 1.552 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.461 10.909 1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.835 10.779 3.379 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.161 9.714 3.800 1.00 0.00 H new ATOM 0 HE ARG A 39 7.503 12.073 3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.593 11.300 5.239 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.862 12.593 6.412 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.851 13.745 4.881 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.710 13.980 6.210 1.00 0.00 H new ATOM 675 N GLU A 40 7.462 6.928 -0.705 1.00 0.00 N ATOM 676 CA GLU A 40 8.579 6.301 -1.390 1.00 0.00 C ATOM 677 C GLU A 40 8.354 6.323 -2.903 1.00 0.00 C ATOM 678 O GLU A 40 9.293 6.522 -3.672 1.00 0.00 O ATOM 679 CB GLU A 40 8.798 4.871 -0.889 1.00 0.00 C ATOM 680 CG GLU A 40 10.266 4.462 -1.024 1.00 0.00 C ATOM 681 CD GLU A 40 11.037 4.752 0.265 1.00 0.00 C ATOM 682 OE1 GLU A 40 10.361 4.980 1.291 1.00 0.00 O ATOM 683 OE2 GLU A 40 12.285 4.740 0.194 1.00 0.00 O ATOM 0 H GLU A 40 6.896 6.293 -0.143 1.00 0.00 H new ATOM 0 HA GLU A 40 9.481 6.871 -1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.490 4.796 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.171 4.183 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.331 3.400 -1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.723 5.001 -1.854 1.00 0.00 H new ATOM 690 N LEU A 41 7.102 6.116 -3.286 1.00 0.00 N ATOM 691 CA LEU A 41 6.741 6.109 -4.693 1.00 0.00 C ATOM 692 C LEU A 41 7.058 7.477 -5.303 1.00 0.00 C ATOM 693 O LEU A 41 7.724 7.562 -6.334 1.00 0.00 O ATOM 694 CB LEU A 41 5.284 5.679 -4.871 1.00 0.00 C ATOM 695 CG LEU A 41 5.041 4.175 -5.013 1.00 0.00 C ATOM 696 CD1 LEU A 41 6.039 3.549 -5.989 1.00 0.00 C ATOM 697 CD2 LEU A 41 5.062 3.485 -3.649 1.00 0.00 C ATOM 0 H LEU A 41 6.325 5.952 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 41 7.334 5.372 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.712 6.040 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.884 6.177 -5.755 1.00 0.00 H new ATOM 0 HG LEU A 41 4.046 4.027 -5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.845 2.480 -6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.931 4.015 -6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.054 3.706 -5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.887 2.417 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.033 3.639 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.281 3.907 -3.016 1.00 0.00 H new ATOM 709 N GLU A 42 6.566 8.513 -4.639 1.00 0.00 N ATOM 710 CA GLU A 42 6.788 9.872 -5.103 1.00 0.00 C ATOM 711 C GLU A 42 8.288 10.176 -5.156 1.00 0.00 C ATOM 712 O GLU A 42 8.762 10.813 -6.095 1.00 0.00 O ATOM 713 CB GLU A 42 6.055 10.880 -4.216 1.00 0.00 C ATOM 714 CG GLU A 42 5.618 12.103 -5.024 1.00 0.00 C ATOM 715 CD GLU A 42 6.557 13.286 -4.779 1.00 0.00 C ATOM 716 OE1 GLU A 42 6.681 13.678 -3.598 1.00 0.00 O ATOM 717 OE2 GLU A 42 7.129 13.772 -5.778 1.00 0.00 O ATOM 0 H GLU A 42 6.015 8.439 -3.784 1.00 0.00 H new ATOM 0 HA GLU A 42 6.383 9.963 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.183 10.407 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.706 11.192 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.607 11.857 -6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.600 12.379 -4.750 1.00 0.00 H new ATOM 724 N ARG A 43 8.990 9.708 -4.135 1.00 0.00 N ATOM 725 CA ARG A 43 10.425 9.922 -4.053 1.00 0.00 C ATOM 726 C ARG A 43 11.147 9.094 -5.119 1.00 0.00 C ATOM 727 O ARG A 43 12.262 9.425 -5.517 1.00 0.00 O ATOM 728 CB ARG A 43 10.961 9.541 -2.672 1.00 0.00 C ATOM 729 CG ARG A 43 11.292 10.788 -1.850 1.00 0.00 C ATOM 730 CD ARG A 43 11.865 10.408 -0.483 1.00 0.00 C ATOM 731 NE ARG A 43 10.804 10.472 0.546 1.00 0.00 N ATOM 732 CZ ARG A 43 10.951 10.040 1.806 1.00 0.00 C ATOM 733 NH1 ARG A 43 12.116 9.508 2.199 1.00 0.00 N ATOM 734 NH2 ARG A 43 9.933 10.139 2.671 1.00 0.00 N ATOM 0 H ARG A 43 8.592 9.181 -3.357 1.00 0.00 H new ATOM 0 HA ARG A 43 10.612 10.982 -4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.221 8.939 -2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.854 8.925 -2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.010 11.404 -2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.393 11.389 -1.717 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.285 9.403 -0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.679 11.083 -0.220 1.00 0.00 H new ATOM 0 HE ARG A 43 9.904 10.870 0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.890 9.432 1.539 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.229 9.179 3.158 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.046 10.543 2.371 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.045 9.810 3.630 1.00 0.00 H new ATOM 748 N PHE A 44 10.480 8.032 -5.550 1.00 0.00 N ATOM 749 CA PHE A 44 11.044 7.154 -6.561 1.00 0.00 C ATOM 750 C PHE A 44 10.761 7.686 -7.967 1.00 0.00 C ATOM 751 O PHE A 44 11.137 7.061 -8.959 1.00 0.00 O ATOM 752 CB PHE A 44 10.368 5.793 -6.398 1.00 0.00 C ATOM 753 CG PHE A 44 11.133 4.821 -5.497 1.00 0.00 C ATOM 754 CD1 PHE A 44 12.486 4.725 -5.595 1.00 0.00 C ATOM 755 CD2 PHE A 44 10.460 4.055 -4.597 1.00 0.00 C ATOM 756 CE1 PHE A 44 13.196 3.824 -4.758 1.00 0.00 C ATOM 757 CE2 PHE A 44 11.170 3.153 -3.760 1.00 0.00 C ATOM 758 CZ PHE A 44 12.524 3.058 -3.858 1.00 0.00 C ATOM 0 H PHE A 44 9.555 7.761 -5.217 1.00 0.00 H new ATOM 0 HA PHE A 44 12.125 7.088 -6.437 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.369 5.942 -5.988 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.245 5.340 -7.382 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.020 5.334 -6.309 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.386 4.132 -4.519 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.270 3.747 -4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 44 10.636 2.543 -3.047 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.065 2.374 -3.221 1.00 0.00 H new ATOM 768 N ALA A 45 10.103 8.835 -8.010 1.00 0.00 N ATOM 769 CA ALA A 45 9.765 9.457 -9.279 1.00 0.00 C ATOM 770 C ALA A 45 8.759 8.577 -10.023 1.00 0.00 C ATOM 771 O ALA A 45 8.621 8.678 -11.241 1.00 0.00 O ATOM 772 CB ALA A 45 11.043 9.693 -10.088 1.00 0.00 C ATOM 0 H ALA A 45 9.795 9.352 -7.186 1.00 0.00 H new ATOM 0 HA ALA A 45 9.297 10.428 -9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.790 10.160 -11.040 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.712 10.348 -9.529 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.539 8.740 -10.272 1.00 0.00 H new ATOM 778 N VAL A 46 8.082 7.733 -9.259 1.00 0.00 N ATOM 779 CA VAL A 46 7.092 6.836 -9.830 1.00 0.00 C ATOM 780 C VAL A 46 5.699 7.451 -9.672 1.00 0.00 C ATOM 781 O VAL A 46 5.450 8.195 -8.725 1.00 0.00 O ATOM 782 CB VAL A 46 7.208 5.452 -9.189 1.00 0.00 C ATOM 783 CG1 VAL A 46 6.285 4.448 -9.881 1.00 0.00 C ATOM 784 CG2 VAL A 46 8.659 4.962 -9.203 1.00 0.00 C ATOM 0 H VAL A 46 8.200 7.651 -8.249 1.00 0.00 H new ATOM 0 HA VAL A 46 7.270 6.703 -10.897 1.00 0.00 H new ATOM 0 HB VAL A 46 6.892 5.537 -8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.387 3.472 -9.406 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.252 4.786 -9.798 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.557 4.369 -10.934 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.715 3.976 -8.742 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.013 4.902 -10.232 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.284 5.659 -8.645 1.00 0.00 H new ATOM 794 N ASN A 47 4.830 7.119 -10.615 1.00 0.00 N ATOM 795 CA ASN A 47 3.470 7.630 -10.593 1.00 0.00 C ATOM 796 C ASN A 47 2.667 6.883 -9.527 1.00 0.00 C ATOM 797 O ASN A 47 2.584 5.656 -9.553 1.00 0.00 O ATOM 798 CB ASN A 47 2.780 7.418 -11.941 1.00 0.00 C ATOM 799 CG ASN A 47 2.156 8.719 -12.450 1.00 0.00 C ATOM 800 OD1 ASN A 47 2.742 9.457 -13.224 1.00 0.00 O ATOM 801 ND2 ASN A 47 0.938 8.958 -11.971 1.00 0.00 N ATOM 0 H ASN A 47 5.041 6.502 -11.399 1.00 0.00 H new ATOM 0 HA ASN A 47 3.514 8.697 -10.375 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.502 7.048 -12.669 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.008 6.655 -11.842 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.437 9.802 -12.249 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.505 8.297 -11.326 1.00 0.00 H new ATOM 808 N PRO A 48 2.080 7.674 -8.589 1.00 0.00 N ATOM 809 CA PRO A 48 1.286 7.101 -7.516 1.00 0.00 C ATOM 810 C PRO A 48 -0.079 6.638 -8.031 1.00 0.00 C ATOM 811 O PRO A 48 -0.607 5.624 -7.577 1.00 0.00 O ATOM 812 CB PRO A 48 1.184 8.199 -6.471 1.00 0.00 C ATOM 813 CG PRO A 48 1.526 9.493 -7.191 1.00 0.00 C ATOM 814 CD PRO A 48 2.156 9.131 -8.527 1.00 0.00 C ATOM 0 HA PRO A 48 1.739 6.206 -7.090 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.181 8.242 -6.046 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.872 8.018 -5.646 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.629 10.094 -7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.214 10.092 -6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.619 9.591 -9.356 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.188 9.477 -8.585 1.00 0.00 H new ATOM 822 N GLY A 49 -0.612 7.404 -8.971 1.00 0.00 N ATOM 823 CA GLY A 49 -1.905 7.087 -9.552 1.00 0.00 C ATOM 824 C GLY A 49 -1.880 5.714 -10.227 1.00 0.00 C ATOM 825 O GLY A 49 -2.839 4.950 -10.125 1.00 0.00 O ATOM 0 H GLY A 49 -0.171 8.244 -9.345 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.670 7.101 -8.776 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.177 7.850 -10.281 1.00 0.00 H new ATOM 829 N LEU A 50 -0.772 5.440 -10.901 1.00 0.00 N ATOM 830 CA LEU A 50 -0.610 4.173 -11.592 1.00 0.00 C ATOM 831 C LEU A 50 -0.444 3.053 -10.562 1.00 0.00 C ATOM 832 O LEU A 50 -0.580 1.877 -10.893 1.00 0.00 O ATOM 833 CB LEU A 50 0.537 4.256 -12.601 1.00 0.00 C ATOM 834 CG LEU A 50 1.898 3.755 -12.112 1.00 0.00 C ATOM 835 CD1 LEU A 50 1.879 2.241 -11.893 1.00 0.00 C ATOM 836 CD2 LEU A 50 3.016 4.184 -13.065 1.00 0.00 C ATOM 0 H LEU A 50 0.022 6.075 -10.983 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.501 3.940 -12.176 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.258 3.684 -13.486 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.645 5.295 -12.914 1.00 0.00 H new ATOM 0 HG LEU A 50 2.105 4.217 -11.146 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.858 1.911 -11.546 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.126 1.991 -11.146 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.639 1.741 -12.831 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.972 3.815 -12.694 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.828 3.771 -14.056 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.046 5.272 -13.125 1.00 0.00 H new ATOM 848 N LEU A 51 -0.153 3.459 -9.336 1.00 0.00 N ATOM 849 CA LEU A 51 0.033 2.505 -8.256 1.00 0.00 C ATOM 850 C LEU A 51 -1.334 2.088 -7.708 1.00 0.00 C ATOM 851 O LEU A 51 -1.418 1.245 -6.817 1.00 0.00 O ATOM 852 CB LEU A 51 0.973 3.076 -7.192 1.00 0.00 C ATOM 853 CG LEU A 51 1.387 2.114 -6.077 1.00 0.00 C ATOM 854 CD1 LEU A 51 2.571 1.248 -6.511 1.00 0.00 C ATOM 855 CD2 LEU A 51 1.676 2.871 -4.779 1.00 0.00 C ATOM 0 H LEU A 51 -0.041 4.436 -9.066 1.00 0.00 H new ATOM 0 HA LEU A 51 0.518 1.602 -8.626 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.875 3.436 -7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.492 3.942 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 51 0.552 1.442 -5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.845 0.573 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.293 0.665 -7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.420 1.887 -6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.968 2.164 -4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.485 3.582 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.781 3.407 -4.463 1.00 0.00 H new ATOM 867 N GLU A 52 -2.369 2.699 -8.265 1.00 0.00 N ATOM 868 CA GLU A 52 -3.728 2.402 -7.844 1.00 0.00 C ATOM 869 C GLU A 52 -4.225 1.122 -8.518 1.00 0.00 C ATOM 870 O GLU A 52 -5.321 0.647 -8.225 1.00 0.00 O ATOM 871 CB GLU A 52 -4.663 3.576 -8.140 1.00 0.00 C ATOM 872 CG GLU A 52 -5.229 3.482 -9.558 1.00 0.00 C ATOM 873 CD GLU A 52 -5.868 4.806 -9.983 1.00 0.00 C ATOM 874 OE1 GLU A 52 -6.931 5.132 -9.411 1.00 0.00 O ATOM 875 OE2 GLU A 52 -5.280 5.462 -10.869 1.00 0.00 O ATOM 0 H GLU A 52 -2.294 3.398 -9.004 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.727 2.244 -6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.480 3.586 -7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.122 4.515 -8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.433 3.218 -10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.971 2.685 -9.605 1.00 0.00 H new ATOM 882 N THR A 53 -3.395 0.599 -9.408 1.00 0.00 N ATOM 883 CA THR A 53 -3.735 -0.617 -10.126 1.00 0.00 C ATOM 884 C THR A 53 -2.808 -1.760 -9.709 1.00 0.00 C ATOM 885 O THR A 53 -1.624 -1.543 -9.456 1.00 0.00 O ATOM 886 CB THR A 53 -3.687 -0.311 -11.625 1.00 0.00 C ATOM 887 OG1 THR A 53 -2.295 -0.297 -11.932 1.00 0.00 O ATOM 888 CG2 THR A 53 -4.154 1.111 -11.947 1.00 0.00 C ATOM 0 H THR A 53 -2.487 0.996 -9.648 1.00 0.00 H new ATOM 0 HA THR A 53 -4.743 -0.952 -9.880 1.00 0.00 H new ATOM 0 HB THR A 53 -4.308 -1.028 -12.162 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.879 0.493 -11.529 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.101 1.277 -13.023 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.183 1.241 -11.611 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.512 1.829 -11.437 1.00 0.00 H new ATOM 896 N SER A 54 -3.382 -2.953 -9.651 1.00 0.00 N ATOM 897 CA SER A 54 -2.621 -4.131 -9.270 1.00 0.00 C ATOM 898 C SER A 54 -1.422 -4.305 -10.203 1.00 0.00 C ATOM 899 O SER A 54 -0.367 -4.778 -9.783 1.00 0.00 O ATOM 900 CB SER A 54 -3.499 -5.385 -9.294 1.00 0.00 C ATOM 901 OG SER A 54 -3.397 -6.084 -10.531 1.00 0.00 O ATOM 0 H SER A 54 -4.364 -3.129 -9.861 1.00 0.00 H new ATOM 0 HA SER A 54 -2.262 -3.991 -8.251 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.208 -6.047 -8.478 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.538 -5.104 -9.121 1.00 0.00 H new ATOM 0 HG SER A 54 -3.970 -6.878 -10.506 1.00 0.00 H new ATOM 907 N GLU A 55 -1.624 -3.914 -11.453 1.00 0.00 N ATOM 908 CA GLU A 55 -0.572 -4.021 -12.450 1.00 0.00 C ATOM 909 C GLU A 55 0.587 -3.084 -12.101 1.00 0.00 C ATOM 910 O GLU A 55 1.745 -3.498 -12.099 1.00 0.00 O ATOM 911 CB GLU A 55 -1.112 -3.726 -13.850 1.00 0.00 C ATOM 912 CG GLU A 55 -0.282 -4.441 -14.919 1.00 0.00 C ATOM 913 CD GLU A 55 -0.549 -3.851 -16.306 1.00 0.00 C ATOM 914 OE1 GLU A 55 -1.722 -3.913 -16.733 1.00 0.00 O ATOM 915 OE2 GLU A 55 0.426 -3.350 -16.906 1.00 0.00 O ATOM 0 H GLU A 55 -2.500 -3.523 -11.798 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.199 -5.045 -12.448 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.152 -4.046 -13.918 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.097 -2.651 -14.031 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.778 -4.353 -14.680 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.522 -5.504 -14.920 1.00 0.00 H new ATOM 922 N GLY A 56 0.235 -1.840 -11.813 1.00 0.00 N ATOM 923 CA GLY A 56 1.231 -0.842 -11.463 1.00 0.00 C ATOM 924 C GLY A 56 2.048 -1.286 -10.247 1.00 0.00 C ATOM 925 O GLY A 56 3.272 -1.158 -10.238 1.00 0.00 O ATOM 0 H GLY A 56 -0.727 -1.500 -11.815 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.896 -0.673 -12.310 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.740 0.107 -11.249 1.00 0.00 H new ATOM 929 N CYS A 57 1.338 -1.797 -9.252 1.00 0.00 N ATOM 930 CA CYS A 57 1.982 -2.260 -8.035 1.00 0.00 C ATOM 931 C CYS A 57 2.891 -3.438 -8.390 1.00 0.00 C ATOM 932 O CYS A 57 3.978 -3.579 -7.831 1.00 0.00 O ATOM 933 CB CYS A 57 0.959 -2.632 -6.960 1.00 0.00 C ATOM 934 SG CYS A 57 1.817 -3.070 -5.404 1.00 0.00 S ATOM 0 H CYS A 57 0.323 -1.901 -9.264 1.00 0.00 H new ATOM 0 HA CYS A 57 2.582 -1.455 -7.610 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.280 -1.797 -6.788 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.352 -3.472 -7.299 1.00 0.00 H new ATOM 0 HG CYS A 57 1.664 -4.339 -5.166 1.00 0.00 H new ATOM 940 N ARG A 58 2.413 -4.254 -9.318 1.00 0.00 N ATOM 941 CA ARG A 58 3.169 -5.415 -9.754 1.00 0.00 C ATOM 942 C ARG A 58 4.436 -4.977 -10.493 1.00 0.00 C ATOM 943 O ARG A 58 5.498 -5.573 -10.318 1.00 0.00 O ATOM 944 CB ARG A 58 2.332 -6.303 -10.677 1.00 0.00 C ATOM 945 CG ARG A 58 3.082 -7.588 -11.032 1.00 0.00 C ATOM 946 CD ARG A 58 2.858 -7.968 -12.496 1.00 0.00 C ATOM 947 NE ARG A 58 4.072 -7.668 -13.288 1.00 0.00 N ATOM 948 CZ ARG A 58 5.239 -8.310 -13.146 1.00 0.00 C ATOM 949 NH1 ARG A 58 5.358 -9.292 -12.243 1.00 0.00 N ATOM 950 NH2 ARG A 58 6.288 -7.970 -13.909 1.00 0.00 N ATOM 0 H ARG A 58 1.512 -4.134 -9.780 1.00 0.00 H new ATOM 0 HA ARG A 58 3.440 -5.986 -8.866 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.389 -6.551 -10.191 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.087 -5.757 -11.588 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.148 -7.454 -10.847 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.746 -8.399 -10.387 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.617 -9.028 -12.572 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.007 -7.418 -12.897 1.00 0.00 H new ATOM 0 HE ARG A 58 4.016 -6.926 -13.986 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.560 -9.551 -11.663 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.247 -9.781 -12.135 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.197 -7.223 -14.597 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.177 -8.459 -13.801 1.00 0.00 H new ATOM 964 N GLN A 59 4.283 -3.938 -11.301 1.00 0.00 N ATOM 965 CA GLN A 59 5.400 -3.414 -12.067 1.00 0.00 C ATOM 966 C GLN A 59 6.510 -2.936 -11.127 1.00 0.00 C ATOM 967 O GLN A 59 7.666 -3.327 -11.276 1.00 0.00 O ATOM 968 CB GLN A 59 4.947 -2.288 -12.998 1.00 0.00 C ATOM 969 CG GLN A 59 5.138 -2.678 -14.464 1.00 0.00 C ATOM 970 CD GLN A 59 6.535 -2.294 -14.957 1.00 0.00 C ATOM 971 OE1 GLN A 59 7.211 -1.451 -14.392 1.00 0.00 O ATOM 972 NE2 GLN A 59 6.929 -2.958 -16.040 1.00 0.00 N ATOM 0 H GLN A 59 3.401 -3.445 -11.442 1.00 0.00 H new ATOM 0 HA GLN A 59 5.797 -4.216 -12.689 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.898 -2.058 -12.813 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.514 -1.383 -12.782 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.990 -3.752 -14.581 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.384 -2.184 -15.077 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.314 -3.652 -16.465 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.846 -2.773 -16.446 1.00 0.00 H new ATOM 981 N ILE A 60 6.116 -2.097 -10.179 1.00 0.00 N ATOM 982 CA ILE A 60 7.062 -1.561 -9.215 1.00 0.00 C ATOM 983 C ILE A 60 7.710 -2.715 -8.447 1.00 0.00 C ATOM 984 O ILE A 60 8.911 -2.692 -8.181 1.00 0.00 O ATOM 985 CB ILE A 60 6.382 -0.529 -8.314 1.00 0.00 C ATOM 986 CG1 ILE A 60 6.152 0.786 -9.063 1.00 0.00 C ATOM 987 CG2 ILE A 60 7.176 -0.321 -7.022 1.00 0.00 C ATOM 988 CD1 ILE A 60 4.776 1.368 -8.737 1.00 0.00 C ATOM 0 H ILE A 60 5.155 -1.776 -10.058 1.00 0.00 H new ATOM 0 HA ILE A 60 7.863 -1.026 -9.725 1.00 0.00 H new ATOM 0 HB ILE A 60 5.402 -0.915 -8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.927 1.503 -8.793 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.234 0.617 -10.137 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.671 0.417 -6.399 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.245 -1.265 -6.481 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.178 0.033 -7.264 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.638 2.302 -9.282 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.002 0.659 -9.030 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.706 1.559 -7.666 1.00 0.00 H new ATOM 1000 N LEU A 61 6.887 -3.698 -8.113 1.00 0.00 N ATOM 1001 CA LEU A 61 7.365 -4.858 -7.382 1.00 0.00 C ATOM 1002 C LEU A 61 8.517 -5.504 -8.154 1.00 0.00 C ATOM 1003 O LEU A 61 9.555 -5.824 -7.575 1.00 0.00 O ATOM 1004 CB LEU A 61 6.209 -5.818 -7.085 1.00 0.00 C ATOM 1005 CG LEU A 61 6.111 -6.325 -5.645 1.00 0.00 C ATOM 1006 CD1 LEU A 61 5.388 -7.671 -5.585 1.00 0.00 C ATOM 1007 CD2 LEU A 61 7.493 -6.387 -4.991 1.00 0.00 C ATOM 0 H LEU A 61 5.892 -3.715 -8.336 1.00 0.00 H new ATOM 0 HA LEU A 61 7.760 -4.560 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.274 -5.318 -7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.299 -6.679 -7.747 1.00 0.00 H new ATOM 0 HG LEU A 61 5.515 -5.614 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.332 -8.008 -4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.380 -7.561 -5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.935 -8.405 -6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.395 -6.750 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.133 -7.064 -5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.936 -5.391 -4.982 1.00 0.00 H new ATOM 1019 N GLY A 62 8.297 -5.677 -9.449 1.00 0.00 N ATOM 1020 CA GLY A 62 9.304 -6.278 -10.306 1.00 0.00 C ATOM 1021 C GLY A 62 10.471 -5.317 -10.537 1.00 0.00 C ATOM 1022 O GLY A 62 11.583 -5.747 -10.843 1.00 0.00 O ATOM 0 H GLY A 62 7.435 -5.411 -9.926 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.671 -7.199 -9.852 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.857 -6.550 -11.262 1.00 0.00 H new ATOM 1026 N GLN A 63 10.180 -4.034 -10.383 1.00 0.00 N ATOM 1027 CA GLN A 63 11.192 -3.008 -10.572 1.00 0.00 C ATOM 1028 C GLN A 63 12.210 -3.052 -9.430 1.00 0.00 C ATOM 1029 O GLN A 63 13.400 -2.825 -9.646 1.00 0.00 O ATOM 1030 CB GLN A 63 10.553 -1.622 -10.684 1.00 0.00 C ATOM 1031 CG GLN A 63 11.484 -0.648 -11.409 1.00 0.00 C ATOM 1032 CD GLN A 63 10.778 0.001 -12.601 1.00 0.00 C ATOM 1033 OE1 GLN A 63 9.819 0.742 -12.461 1.00 0.00 O ATOM 1034 NE2 GLN A 63 11.304 -0.320 -13.781 1.00 0.00 N ATOM 0 H GLN A 63 9.257 -3.681 -10.129 1.00 0.00 H new ATOM 0 HA GLN A 63 11.715 -3.207 -11.507 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.607 -1.696 -11.221 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.325 -1.241 -9.689 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.819 0.124 -10.716 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.373 -1.177 -11.752 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.108 -0.946 -13.828 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.903 0.060 -14.638 1.00 0.00 H new ATOM 1043 N LEU A 64 11.706 -3.344 -8.241 1.00 0.00 N ATOM 1044 CA LEU A 64 12.557 -3.420 -7.066 1.00 0.00 C ATOM 1045 C LEU A 64 12.970 -4.874 -6.833 1.00 0.00 C ATOM 1046 O LEU A 64 13.913 -5.145 -6.091 1.00 0.00 O ATOM 1047 CB LEU A 64 11.866 -2.777 -5.861 1.00 0.00 C ATOM 1048 CG LEU A 64 11.088 -1.490 -6.142 1.00 0.00 C ATOM 1049 CD1 LEU A 64 10.745 -0.762 -4.842 1.00 0.00 C ATOM 1050 CD2 LEU A 64 11.849 -0.591 -7.119 1.00 0.00 C ATOM 0 H LEU A 64 10.719 -3.531 -8.066 1.00 0.00 H new ATOM 0 HA LEU A 64 13.472 -2.849 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.180 -3.506 -5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.622 -2.564 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 64 10.145 -1.758 -6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.192 0.149 -5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.134 -1.409 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.664 -0.506 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.274 0.317 -7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.817 -0.328 -6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.999 -1.121 -8.060 1.00 0.00 H new ATOM 1062 N GLN A 65 12.244 -5.774 -7.481 1.00 0.00 N ATOM 1063 CA GLN A 65 12.523 -7.194 -7.355 1.00 0.00 C ATOM 1064 C GLN A 65 14.033 -7.435 -7.300 1.00 0.00 C ATOM 1065 O GLN A 65 14.529 -8.084 -6.380 1.00 0.00 O ATOM 1066 CB GLN A 65 11.883 -7.983 -8.500 1.00 0.00 C ATOM 1067 CG GLN A 65 10.668 -8.773 -8.010 1.00 0.00 C ATOM 1068 CD GLN A 65 11.101 -10.040 -7.271 1.00 0.00 C ATOM 1069 OE1 GLN A 65 12.276 -10.327 -7.111 1.00 0.00 O ATOM 1070 NE2 GLN A 65 10.089 -10.782 -6.830 1.00 0.00 N ATOM 0 H GLN A 65 11.462 -5.546 -8.095 1.00 0.00 H new ATOM 0 HA GLN A 65 12.083 -7.549 -6.423 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.581 -7.299 -9.293 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.616 -8.666 -8.930 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.067 -8.149 -7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.037 -9.040 -8.858 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.128 -10.485 -6.997 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.274 -11.648 -6.324 1.00 0.00 H new ATOM 1079 N PRO A 66 14.741 -6.884 -8.322 1.00 0.00 N ATOM 1080 CA PRO A 66 16.184 -7.033 -8.399 1.00 0.00 C ATOM 1081 C PRO A 66 16.884 -6.129 -7.382 1.00 0.00 C ATOM 1082 O PRO A 66 17.932 -6.485 -6.847 1.00 0.00 O ATOM 1083 CB PRO A 66 16.539 -6.696 -9.837 1.00 0.00 C ATOM 1084 CG PRO A 66 15.351 -5.924 -10.389 1.00 0.00 C ATOM 1085 CD PRO A 66 14.188 -6.110 -9.429 1.00 0.00 C ATOM 0 HA PRO A 66 16.516 -8.040 -8.147 1.00 0.00 H new ATOM 0 HB2 PRO A 66 17.449 -6.099 -9.885 1.00 0.00 H new ATOM 0 HB3 PRO A 66 16.721 -7.601 -10.417 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.597 -4.867 -10.491 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.088 -6.287 -11.382 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.800 -5.151 -9.086 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.361 -6.636 -9.906 1.00 0.00 H new ATOM 1093 N SER A 67 16.273 -4.976 -7.146 1.00 0.00 N ATOM 1094 CA SER A 67 16.825 -4.017 -6.203 1.00 0.00 C ATOM 1095 C SER A 67 16.992 -4.671 -4.830 1.00 0.00 C ATOM 1096 O SER A 67 17.721 -4.161 -3.980 1.00 0.00 O ATOM 1097 CB SER A 67 15.934 -2.777 -6.095 1.00 0.00 C ATOM 1098 OG SER A 67 16.679 -1.615 -5.746 1.00 0.00 O ATOM 0 H SER A 67 15.403 -4.685 -7.591 1.00 0.00 H new ATOM 0 HA SER A 67 17.802 -3.700 -6.569 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.427 -2.611 -7.045 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.160 -2.950 -5.347 1.00 0.00 H new ATOM 0 HG SER A 67 16.164 -0.814 -5.979 1.00 0.00 H new ATOM 1104 N LEU A 68 16.306 -5.790 -4.655 1.00 0.00 N ATOM 1105 CA LEU A 68 16.370 -6.520 -3.400 1.00 0.00 C ATOM 1106 C LEU A 68 17.744 -7.180 -3.269 1.00 0.00 C ATOM 1107 O LEU A 68 18.329 -7.194 -2.187 1.00 0.00 O ATOM 1108 CB LEU A 68 15.203 -7.503 -3.291 1.00 0.00 C ATOM 1109 CG LEU A 68 13.802 -6.888 -3.344 1.00 0.00 C ATOM 1110 CD1 LEU A 68 12.756 -7.942 -3.714 1.00 0.00 C ATOM 1111 CD2 LEU A 68 13.464 -6.179 -2.032 1.00 0.00 C ATOM 0 H LEU A 68 15.702 -6.210 -5.362 1.00 0.00 H new ATOM 0 HA LEU A 68 16.261 -5.838 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.290 -8.231 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.302 -8.052 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 68 13.789 -6.132 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.769 -7.480 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.992 -8.361 -4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 68 12.761 -8.737 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.464 -5.751 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.500 -6.896 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 68 14.187 -5.384 -1.851 1.00 0.00 H new ATOM 1123 N GLN A 69 18.219 -7.712 -4.385 1.00 0.00 N ATOM 1124 CA GLN A 69 19.513 -8.373 -4.409 1.00 0.00 C ATOM 1125 C GLN A 69 20.495 -7.649 -3.485 1.00 0.00 C ATOM 1126 O GLN A 69 21.269 -8.288 -2.774 1.00 0.00 O ATOM 1127 CB GLN A 69 20.061 -8.455 -5.835 1.00 0.00 C ATOM 1128 CG GLN A 69 21.233 -9.434 -5.915 1.00 0.00 C ATOM 1129 CD GLN A 69 20.899 -10.618 -6.825 1.00 0.00 C ATOM 1130 OE1 GLN A 69 20.377 -10.466 -7.917 1.00 0.00 O ATOM 1131 NE2 GLN A 69 21.227 -11.802 -6.316 1.00 0.00 N ATOM 0 H GLN A 69 17.731 -7.699 -5.280 1.00 0.00 H new ATOM 0 HA GLN A 69 19.385 -9.393 -4.045 1.00 0.00 H new ATOM 0 HB2 GLN A 69 19.270 -8.772 -6.515 1.00 0.00 H new ATOM 0 HB3 GLN A 69 20.385 -7.467 -6.162 1.00 0.00 H new ATOM 0 HG2 GLN A 69 22.116 -8.919 -6.292 1.00 0.00 H new ATOM 0 HG3 GLN A 69 21.477 -9.796 -4.916 1.00 0.00 H new ATOM 0 HE21 GLN A 69 21.662 -11.858 -5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 69 21.044 -12.654 -6.847 1.00 0.00 H new ATOM 1140 N THR A 70 20.430 -6.326 -3.525 1.00 0.00 N ATOM 1141 CA THR A 70 21.304 -5.509 -2.700 1.00 0.00 C ATOM 1142 C THR A 70 20.587 -4.227 -2.272 1.00 0.00 C ATOM 1143 O THR A 70 21.188 -3.154 -2.250 1.00 0.00 O ATOM 1144 CB THR A 70 22.592 -5.253 -3.487 1.00 0.00 C ATOM 1145 OG1 THR A 70 23.377 -4.448 -2.611 1.00 0.00 O ATOM 1146 CG2 THR A 70 22.364 -4.360 -4.708 1.00 0.00 C ATOM 0 H THR A 70 19.786 -5.800 -4.116 1.00 0.00 H new ATOM 0 HA THR A 70 21.568 -6.020 -1.774 1.00 0.00 H new ATOM 0 HB THR A 70 23.018 -6.204 -3.807 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.904 -3.610 -2.426 1.00 0.00 H new ATOM 0 HG21 THR A 70 23.309 -4.210 -5.231 1.00 0.00 H new ATOM 0 HG22 THR A 70 21.650 -4.837 -5.379 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.971 -3.396 -4.385 1.00 0.00 H new ATOM 1154 N GLY A 71 19.313 -4.381 -1.942 1.00 0.00 N ATOM 1155 CA GLY A 71 18.509 -3.249 -1.516 1.00 0.00 C ATOM 1156 C GLY A 71 18.704 -2.968 -0.024 1.00 0.00 C ATOM 1157 O GLY A 71 19.359 -3.739 0.676 1.00 0.00 O ATOM 0 H GLY A 71 18.818 -5.273 -1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.782 -2.366 -2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.457 -3.449 -1.717 1.00 0.00 H new ATOM 1161 N SER A 72 18.125 -1.861 0.418 1.00 0.00 N ATOM 1162 CA SER A 72 18.227 -1.469 1.813 1.00 0.00 C ATOM 1163 C SER A 72 17.078 -2.083 2.615 1.00 0.00 C ATOM 1164 O SER A 72 16.121 -2.598 2.039 1.00 0.00 O ATOM 1165 CB SER A 72 18.221 0.054 1.958 1.00 0.00 C ATOM 1166 OG SER A 72 16.907 0.595 1.863 1.00 0.00 O ATOM 0 H SER A 72 17.584 -1.223 -0.166 1.00 0.00 H new ATOM 0 HA SER A 72 19.174 -1.841 2.205 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.657 0.328 2.919 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.851 0.494 1.185 1.00 0.00 H new ATOM 0 HG SER A 72 16.946 1.569 1.962 1.00 0.00 H new ATOM 1172 N GLU A 73 17.210 -2.007 3.931 1.00 0.00 N ATOM 1173 CA GLU A 73 16.195 -2.549 4.818 1.00 0.00 C ATOM 1174 C GLU A 73 14.840 -1.899 4.532 1.00 0.00 C ATOM 1175 O GLU A 73 13.816 -2.581 4.489 1.00 0.00 O ATOM 1176 CB GLU A 73 16.593 -2.366 6.284 1.00 0.00 C ATOM 1177 CG GLU A 73 17.106 -3.679 6.880 1.00 0.00 C ATOM 1178 CD GLU A 73 17.078 -3.634 8.409 1.00 0.00 C ATOM 1179 OE1 GLU A 73 16.065 -3.133 8.944 1.00 0.00 O ATOM 1180 OE2 GLU A 73 18.071 -4.100 9.008 1.00 0.00 O ATOM 0 H GLU A 73 18.005 -1.578 4.405 1.00 0.00 H new ATOM 0 HA GLU A 73 16.110 -3.619 4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 73 17.365 -1.601 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.735 -2.013 6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 73 16.493 -4.508 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.123 -3.866 6.537 1.00 0.00 H new ATOM 1187 N GLU A 74 14.875 -0.588 4.345 1.00 0.00 N ATOM 1188 CA GLU A 74 13.663 0.162 4.066 1.00 0.00 C ATOM 1189 C GLU A 74 13.105 -0.224 2.694 1.00 0.00 C ATOM 1190 O GLU A 74 11.902 -0.432 2.545 1.00 0.00 O ATOM 1191 CB GLU A 74 13.917 1.668 4.150 1.00 0.00 C ATOM 1192 CG GLU A 74 13.537 2.212 5.528 1.00 0.00 C ATOM 1193 CD GLU A 74 14.425 3.396 5.916 1.00 0.00 C ATOM 1194 OE1 GLU A 74 15.507 3.132 6.483 1.00 0.00 O ATOM 1195 OE2 GLU A 74 14.002 4.538 5.634 1.00 0.00 O ATOM 0 H GLU A 74 15.725 -0.026 4.381 1.00 0.00 H new ATOM 0 HA GLU A 74 12.921 -0.090 4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.969 1.875 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.340 2.181 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.492 2.523 5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.632 1.422 6.273 1.00 0.00 H new ATOM 1202 N LEU A 75 14.006 -0.307 1.726 1.00 0.00 N ATOM 1203 CA LEU A 75 13.619 -0.665 0.372 1.00 0.00 C ATOM 1204 C LEU A 75 12.958 -2.044 0.382 1.00 0.00 C ATOM 1205 O LEU A 75 11.957 -2.262 -0.300 1.00 0.00 O ATOM 1206 CB LEU A 75 14.819 -0.564 -0.572 1.00 0.00 C ATOM 1207 CG LEU A 75 14.612 -1.124 -1.981 1.00 0.00 C ATOM 1208 CD1 LEU A 75 15.577 -0.475 -2.976 1.00 0.00 C ATOM 1209 CD2 LEU A 75 14.722 -2.650 -1.986 1.00 0.00 C ATOM 0 H LEU A 75 15.003 -0.132 1.853 1.00 0.00 H new ATOM 0 HA LEU A 75 12.881 0.039 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.102 0.485 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.660 -1.085 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 75 13.601 -0.874 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.409 -0.891 -3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.406 0.601 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 75 16.604 -0.673 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.571 -3.022 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 75 15.711 -2.945 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.963 -3.072 -1.328 1.00 0.00 H new ATOM 1221 N ARG A 76 13.544 -2.940 1.162 1.00 0.00 N ATOM 1222 CA ARG A 76 13.024 -4.292 1.270 1.00 0.00 C ATOM 1223 C ARG A 76 11.598 -4.271 1.823 1.00 0.00 C ATOM 1224 O ARG A 76 10.697 -4.880 1.249 1.00 0.00 O ATOM 1225 CB ARG A 76 13.905 -5.150 2.183 1.00 0.00 C ATOM 1226 CG ARG A 76 13.594 -6.637 2.004 1.00 0.00 C ATOM 1227 CD ARG A 76 12.638 -7.132 3.091 1.00 0.00 C ATOM 1228 NE ARG A 76 12.946 -8.538 3.435 1.00 0.00 N ATOM 1229 CZ ARG A 76 12.165 -9.313 4.198 1.00 0.00 C ATOM 1230 NH1 ARG A 76 11.023 -8.824 4.702 1.00 0.00 N ATOM 1231 NH2 ARG A 76 12.524 -10.578 4.458 1.00 0.00 N ATOM 0 H ARG A 76 14.374 -2.756 1.725 1.00 0.00 H new ATOM 0 HA ARG A 76 13.023 -4.727 0.271 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.956 -4.965 1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.745 -4.864 3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.151 -6.804 1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.519 -7.212 2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.726 -6.504 3.978 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.608 -7.051 2.745 1.00 0.00 H new ATOM 0 HE ARG A 76 13.807 -8.942 3.068 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.749 -7.862 4.504 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.428 -9.414 5.283 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.393 -10.951 4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.929 -11.168 5.039 1.00 0.00 H new ATOM 1245 N SER A 77 11.437 -3.562 2.932 1.00 0.00 N ATOM 1246 CA SER A 77 10.136 -3.454 3.568 1.00 0.00 C ATOM 1247 C SER A 77 9.106 -2.928 2.566 1.00 0.00 C ATOM 1248 O SER A 77 7.940 -3.318 2.607 1.00 0.00 O ATOM 1249 CB SER A 77 10.198 -2.541 4.795 1.00 0.00 C ATOM 1250 OG SER A 77 9.792 -3.215 5.982 1.00 0.00 O ATOM 0 H SER A 77 12.186 -3.057 3.405 1.00 0.00 H new ATOM 0 HA SER A 77 9.834 -4.447 3.902 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.215 -2.169 4.919 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.558 -1.673 4.634 1.00 0.00 H new ATOM 0 HG SER A 77 9.847 -2.600 6.743 1.00 0.00 H new ATOM 1256 N LEU A 78 9.574 -2.051 1.690 1.00 0.00 N ATOM 1257 CA LEU A 78 8.707 -1.468 0.680 1.00 0.00 C ATOM 1258 C LEU A 78 8.272 -2.556 -0.303 1.00 0.00 C ATOM 1259 O LEU A 78 7.091 -2.666 -0.629 1.00 0.00 O ATOM 1260 CB LEU A 78 9.392 -0.274 0.012 1.00 0.00 C ATOM 1261 CG LEU A 78 8.748 1.092 0.256 1.00 0.00 C ATOM 1262 CD1 LEU A 78 9.777 2.096 0.782 1.00 0.00 C ATOM 1263 CD2 LEU A 78 8.043 1.600 -1.003 1.00 0.00 C ATOM 0 H LEU A 78 10.542 -1.730 1.659 1.00 0.00 H new ATOM 0 HA LEU A 78 7.801 -1.072 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.425 -0.233 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.422 -0.452 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 78 7.986 0.977 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.294 3.059 0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.193 1.732 1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.578 2.212 0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.594 2.573 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.767 1.695 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.265 0.895 -1.294 1.00 0.00 H new ATOM 1275 N TYR A 79 9.249 -3.333 -0.747 1.00 0.00 N ATOM 1276 CA TYR A 79 8.982 -4.410 -1.686 1.00 0.00 C ATOM 1277 C TYR A 79 7.943 -5.381 -1.123 1.00 0.00 C ATOM 1278 O TYR A 79 7.068 -5.850 -1.851 1.00 0.00 O ATOM 1279 CB TYR A 79 10.309 -5.149 -1.867 1.00 0.00 C ATOM 1280 CG TYR A 79 10.159 -6.571 -2.412 1.00 0.00 C ATOM 1281 CD1 TYR A 79 9.915 -6.773 -3.755 1.00 0.00 C ATOM 1282 CD2 TYR A 79 10.268 -7.652 -1.560 1.00 0.00 C ATOM 1283 CE1 TYR A 79 9.773 -8.111 -4.268 1.00 0.00 C ATOM 1284 CE2 TYR A 79 10.126 -8.990 -2.073 1.00 0.00 C ATOM 1285 CZ TYR A 79 9.886 -9.154 -3.402 1.00 0.00 C ATOM 1286 OH TYR A 79 9.753 -10.418 -3.886 1.00 0.00 O ATOM 0 H TYR A 79 10.227 -3.238 -0.474 1.00 0.00 H new ATOM 0 HA TYR A 79 8.592 -4.015 -2.624 1.00 0.00 H new ATOM 0 HB2 TYR A 79 10.943 -4.576 -2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.824 -5.191 -0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.831 -5.927 -4.422 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.460 -7.494 -0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.581 -8.283 -5.317 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.208 -9.844 -1.417 1.00 0.00 H new ATOM 0 HH TYR A 79 9.859 -11.061 -3.154 1.00 0.00 H new ATOM 1296 N ASN A 80 8.072 -5.656 0.166 1.00 0.00 N ATOM 1297 CA ASN A 80 7.155 -6.564 0.834 1.00 0.00 C ATOM 1298 C ASN A 80 5.752 -5.953 0.838 1.00 0.00 C ATOM 1299 O ASN A 80 4.775 -6.630 0.519 1.00 0.00 O ATOM 1300 CB ASN A 80 7.572 -6.798 2.287 1.00 0.00 C ATOM 1301 CG ASN A 80 6.967 -8.095 2.829 1.00 0.00 C ATOM 1302 OD1 ASN A 80 7.472 -8.481 3.997 1.00 0.00 O flip ATOM 1303 ND2 ASN A 80 6.098 -8.703 2.227 1.00 0.00 N flip ATOM 0 H ASN A 80 8.798 -5.266 0.766 1.00 0.00 H new ATOM 0 HA ASN A 80 7.169 -7.513 0.297 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.659 -6.844 2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.250 -5.957 2.902 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.755 -8.351 1.333 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.714 -9.564 2.617 1.00 0.00 H new ATOM 1310 N THR A 81 5.696 -4.680 1.202 1.00 0.00 N ATOM 1311 CA THR A 81 4.429 -3.971 1.252 1.00 0.00 C ATOM 1312 C THR A 81 3.781 -3.941 -0.134 1.00 0.00 C ATOM 1313 O THR A 81 2.570 -4.114 -0.259 1.00 0.00 O ATOM 1314 CB THR A 81 4.690 -2.579 1.831 1.00 0.00 C ATOM 1315 OG1 THR A 81 5.392 -2.833 3.045 1.00 0.00 O ATOM 1316 CG2 THR A 81 3.404 -1.884 2.283 1.00 0.00 C ATOM 0 H THR A 81 6.508 -4.121 1.465 1.00 0.00 H new ATOM 0 HA THR A 81 3.715 -4.480 1.900 1.00 0.00 H new ATOM 0 HB THR A 81 5.193 -1.964 1.085 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.343 -2.634 2.920 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.644 -0.900 2.686 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.732 -1.773 1.432 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.918 -2.483 3.054 1.00 0.00 H new ATOM 1324 N ILE A 82 4.616 -3.720 -1.139 1.00 0.00 N ATOM 1325 CA ILE A 82 4.139 -3.666 -2.510 1.00 0.00 C ATOM 1326 C ILE A 82 3.527 -5.017 -2.886 1.00 0.00 C ATOM 1327 O ILE A 82 2.460 -5.071 -3.499 1.00 0.00 O ATOM 1328 CB ILE A 82 5.259 -3.215 -3.450 1.00 0.00 C ATOM 1329 CG1 ILE A 82 5.736 -1.805 -3.096 1.00 0.00 C ATOM 1330 CG2 ILE A 82 4.824 -3.324 -4.912 1.00 0.00 C ATOM 1331 CD1 ILE A 82 7.167 -1.572 -3.586 1.00 0.00 C ATOM 0 H ILE A 82 5.620 -3.576 -1.031 1.00 0.00 H new ATOM 0 HA ILE A 82 3.351 -2.920 -2.610 1.00 0.00 H new ATOM 0 HB ILE A 82 6.109 -3.885 -3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.070 -1.068 -3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.689 -1.662 -2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.638 -2.997 -5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.572 -4.360 -5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.951 -2.693 -5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.482 -0.563 -3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.834 -2.295 -3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.205 -1.692 -4.669 1.00 0.00 H new ATOM 1343 N ALA A 83 4.227 -6.074 -2.506 1.00 0.00 N ATOM 1344 CA ALA A 83 3.766 -7.422 -2.796 1.00 0.00 C ATOM 1345 C ALA A 83 2.371 -7.617 -2.201 1.00 0.00 C ATOM 1346 O ALA A 83 1.461 -8.088 -2.883 1.00 0.00 O ATOM 1347 CB ALA A 83 4.778 -8.435 -2.257 1.00 0.00 C ATOM 0 H ALA A 83 5.111 -6.026 -1.999 1.00 0.00 H new ATOM 0 HA ALA A 83 3.690 -7.579 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.432 -9.446 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.745 -8.272 -2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.879 -8.310 -1.179 1.00 0.00 H new ATOM 1353 N VAL A 84 2.244 -7.246 -0.935 1.00 0.00 N ATOM 1354 CA VAL A 84 0.974 -7.376 -0.240 1.00 0.00 C ATOM 1355 C VAL A 84 -0.061 -6.469 -0.908 1.00 0.00 C ATOM 1356 O VAL A 84 -1.229 -6.837 -1.024 1.00 0.00 O ATOM 1357 CB VAL A 84 1.160 -7.077 1.248 1.00 0.00 C ATOM 1358 CG1 VAL A 84 -0.158 -6.632 1.887 1.00 0.00 C ATOM 1359 CG2 VAL A 84 1.745 -8.285 1.983 1.00 0.00 C ATOM 0 H VAL A 84 3.000 -6.855 -0.372 1.00 0.00 H new ATOM 0 HA VAL A 84 0.603 -8.399 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 84 1.871 -6.255 1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.002 -6.426 2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.516 -5.730 1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.900 -7.423 1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.867 -8.044 3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.071 -9.135 1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.715 -8.537 1.554 1.00 0.00 H new ATOM 1369 N LEU A 85 0.404 -5.303 -1.329 1.00 0.00 N ATOM 1370 CA LEU A 85 -0.468 -4.341 -1.982 1.00 0.00 C ATOM 1371 C LEU A 85 -1.078 -4.978 -3.232 1.00 0.00 C ATOM 1372 O LEU A 85 -2.240 -4.735 -3.553 1.00 0.00 O ATOM 1373 CB LEU A 85 0.285 -3.038 -2.261 1.00 0.00 C ATOM 1374 CG LEU A 85 -0.530 -1.920 -2.915 1.00 0.00 C ATOM 1375 CD1 LEU A 85 -1.480 -1.272 -1.905 1.00 0.00 C ATOM 1376 CD2 LEU A 85 0.387 -0.892 -3.580 1.00 0.00 C ATOM 0 H LEU A 85 1.374 -5.002 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.295 -4.070 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.687 -2.665 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.136 -3.264 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.145 -2.359 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.047 -0.481 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.167 -2.024 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.903 -0.849 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.217 -0.108 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.045 -0.453 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.987 -1.382 -4.347 1.00 0.00 H new ATOM 1388 N TYR A 86 -0.266 -5.782 -3.904 1.00 0.00 N ATOM 1389 CA TYR A 86 -0.711 -6.456 -5.112 1.00 0.00 C ATOM 1390 C TYR A 86 -1.624 -7.638 -4.775 1.00 0.00 C ATOM 1391 O TYR A 86 -2.572 -7.921 -5.506 1.00 0.00 O ATOM 1392 CB TYR A 86 0.555 -6.982 -5.792 1.00 0.00 C ATOM 1393 CG TYR A 86 0.285 -7.956 -6.941 1.00 0.00 C ATOM 1394 CD1 TYR A 86 0.115 -7.478 -8.224 1.00 0.00 C ATOM 1395 CD2 TYR A 86 0.210 -9.311 -6.694 1.00 0.00 C ATOM 1396 CE1 TYR A 86 -0.139 -8.395 -9.306 1.00 0.00 C ATOM 1397 CE2 TYR A 86 -0.044 -10.228 -7.775 1.00 0.00 C ATOM 1398 CZ TYR A 86 -0.206 -9.724 -9.028 1.00 0.00 C ATOM 1399 OH TYR A 86 -0.446 -10.589 -10.049 1.00 0.00 O ATOM 0 H TYR A 86 0.697 -5.982 -3.635 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.274 -5.773 -5.748 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.129 -6.137 -6.173 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.176 -7.479 -5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.172 -6.417 -8.417 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.342 -9.684 -5.689 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -0.273 -8.035 -10.315 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -0.104 -11.291 -7.595 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.466 -11.506 -9.703 1.00 0.00 H new ATOM 1409 N CYS A 87 -1.304 -8.295 -3.670 1.00 0.00 N ATOM 1410 CA CYS A 87 -2.084 -9.438 -3.228 1.00 0.00 C ATOM 1411 C CYS A 87 -3.527 -8.982 -3.009 1.00 0.00 C ATOM 1412 O CYS A 87 -4.467 -9.676 -3.391 1.00 0.00 O ATOM 1413 CB CYS A 87 -1.490 -10.077 -1.971 1.00 0.00 C ATOM 1414 SG CYS A 87 -0.023 -11.079 -2.411 1.00 0.00 S ATOM 0 H CYS A 87 -0.516 -8.058 -3.068 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.062 -10.213 -3.995 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.211 -9.302 -1.257 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.237 -10.705 -1.485 1.00 0.00 H new ATOM 0 HG CYS A 87 0.475 -11.615 -1.336 1.00 0.00 H new ATOM 1420 N VAL A 88 -3.657 -7.815 -2.395 1.00 0.00 N ATOM 1421 CA VAL A 88 -4.970 -7.256 -2.120 1.00 0.00 C ATOM 1422 C VAL A 88 -5.588 -6.750 -3.425 1.00 0.00 C ATOM 1423 O VAL A 88 -6.749 -7.032 -3.716 1.00 0.00 O ATOM 1424 CB VAL A 88 -4.862 -6.170 -1.048 1.00 0.00 C ATOM 1425 CG1 VAL A 88 -4.917 -4.774 -1.675 1.00 0.00 C ATOM 1426 CG2 VAL A 88 -5.951 -6.336 0.013 1.00 0.00 C ATOM 0 H VAL A 88 -2.875 -7.241 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.636 -8.022 -1.721 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.895 -6.280 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.838 -4.020 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.090 -4.657 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.862 -4.650 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.851 -5.551 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.932 -6.265 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.848 -7.310 0.491 1.00 0.00 H new ATOM 1436 N HIS A 89 -4.784 -6.011 -4.176 1.00 0.00 N ATOM 1437 CA HIS A 89 -5.237 -5.463 -5.442 1.00 0.00 C ATOM 1438 C HIS A 89 -5.758 -6.593 -6.333 1.00 0.00 C ATOM 1439 O HIS A 89 -6.592 -6.363 -7.208 1.00 0.00 O ATOM 1440 CB HIS A 89 -4.128 -4.647 -6.109 1.00 0.00 C ATOM 1441 CG HIS A 89 -4.002 -3.236 -5.582 1.00 0.00 C ATOM 1442 ND1 HIS A 89 -2.901 -2.468 -5.348 1.00 0.00 N flip ATOM 1443 CD2 HIS A 89 -5.099 -2.466 -5.235 1.00 0.00 C flip ATOM 1444 CE1 HIS A 89 -3.302 -1.290 -4.883 1.00 0.00 C flip ATOM 1445 NE2 HIS A 89 -4.665 -1.288 -4.813 1.00 0.00 N flip ATOM 0 H HIS A 89 -3.821 -5.779 -3.931 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.063 -4.773 -5.269 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.178 -5.162 -5.970 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.315 -4.608 -7.182 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -1.933 -2.750 -5.504 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -6.132 -2.773 -5.298 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -2.656 -0.470 -4.606 1.00 0.00 H new ATOM 1454 N GLN A 90 -5.246 -7.788 -6.079 1.00 0.00 N ATOM 1455 CA GLN A 90 -5.650 -8.954 -6.846 1.00 0.00 C ATOM 1456 C GLN A 90 -6.750 -9.720 -6.109 1.00 0.00 C ATOM 1457 O GLN A 90 -7.436 -10.551 -6.702 1.00 0.00 O ATOM 1458 CB GLN A 90 -4.451 -9.859 -7.138 1.00 0.00 C ATOM 1459 CG GLN A 90 -3.864 -9.564 -8.519 1.00 0.00 C ATOM 1460 CD GLN A 90 -4.920 -9.733 -9.612 1.00 0.00 C ATOM 1461 OE1 GLN A 90 -5.606 -8.801 -9.998 1.00 0.00 O ATOM 1462 NE2 GLN A 90 -5.013 -10.971 -10.088 1.00 0.00 N ATOM 0 H GLN A 90 -4.555 -7.974 -5.353 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.050 -8.616 -7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.686 -9.713 -6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.758 -10.904 -7.085 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.472 -8.547 -8.542 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.026 -10.233 -8.712 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.408 -11.705 -9.721 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.689 -11.186 -10.821 1.00 0.00 H new ATOM 1471 N ARG A 91 -6.884 -9.412 -4.827 1.00 0.00 N ATOM 1472 CA ARG A 91 -7.890 -10.061 -4.004 1.00 0.00 C ATOM 1473 C ARG A 91 -7.391 -11.431 -3.537 1.00 0.00 C ATOM 1474 O ARG A 91 -8.079 -12.436 -3.704 1.00 0.00 O ATOM 1475 CB ARG A 91 -9.201 -10.239 -4.772 1.00 0.00 C ATOM 1476 CG ARG A 91 -10.404 -10.132 -3.833 1.00 0.00 C ATOM 1477 CD ARG A 91 -11.708 -10.425 -4.579 1.00 0.00 C ATOM 1478 NE ARG A 91 -12.235 -9.181 -5.184 1.00 0.00 N ATOM 1479 CZ ARG A 91 -13.507 -9.015 -5.572 1.00 0.00 C ATOM 1480 NH1 ARG A 91 -14.389 -10.012 -5.421 1.00 0.00 N ATOM 1481 NH2 ARG A 91 -13.897 -7.852 -6.112 1.00 0.00 N ATOM 0 H ARG A 91 -6.313 -8.722 -4.339 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.073 -9.422 -3.140 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.275 -9.482 -5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.207 -11.210 -5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.288 -10.833 -3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.445 -9.132 -3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.533 -11.171 -5.354 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.443 -10.845 -3.892 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.590 -8.402 -5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.092 -10.897 -5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.357 -9.886 -5.716 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.226 -7.093 -6.228 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.865 -7.726 -6.407 1.00 0.00 H new ATOM 1495 N ILE A 92 -6.196 -11.425 -2.963 1.00 0.00 N ATOM 1496 CA ILE A 92 -5.598 -12.655 -2.472 1.00 0.00 C ATOM 1497 C ILE A 92 -5.573 -12.629 -0.942 1.00 0.00 C ATOM 1498 O ILE A 92 -5.158 -11.639 -0.341 1.00 0.00 O ATOM 1499 CB ILE A 92 -4.222 -12.871 -3.105 1.00 0.00 C ATOM 1500 CG1 ILE A 92 -4.353 -13.360 -4.550 1.00 0.00 C ATOM 1501 CG2 ILE A 92 -3.369 -13.815 -2.256 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -3.638 -12.415 -5.517 1.00 0.00 C ATOM 0 H ILE A 92 -5.627 -10.589 -2.827 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.199 -13.515 -2.768 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.706 -11.911 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.933 -14.362 -4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.407 -13.432 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.396 -13.951 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.233 -13.388 -1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.869 -14.780 -2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.747 -12.786 -6.536 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.077 -11.420 -5.444 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.580 -12.364 -5.261 1.00 0.00 H new ATOM 1514 N ASP A 93 -6.022 -13.729 -0.357 1.00 0.00 N ATOM 1515 CA ASP A 93 -6.057 -13.846 1.091 1.00 0.00 C ATOM 1516 C ASP A 93 -4.628 -13.794 1.637 1.00 0.00 C ATOM 1517 O ASP A 93 -3.698 -14.291 1.003 1.00 0.00 O ATOM 1518 CB ASP A 93 -6.679 -15.176 1.522 1.00 0.00 C ATOM 1519 CG ASP A 93 -8.188 -15.134 1.766 1.00 0.00 C ATOM 1520 OD1 ASP A 93 -8.893 -14.617 0.873 1.00 0.00 O ATOM 1521 OD2 ASP A 93 -8.603 -15.620 2.840 1.00 0.00 O ATOM 0 H ASP A 93 -6.365 -14.548 -0.859 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.657 -13.024 1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.471 -15.923 0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.187 -15.511 2.435 1.00 0.00 H new ATOM 1526 N VAL A 94 -4.498 -13.187 2.807 1.00 0.00 N ATOM 1527 CA VAL A 94 -3.198 -13.062 3.446 1.00 0.00 C ATOM 1528 C VAL A 94 -3.380 -13.055 4.966 1.00 0.00 C ATOM 1529 O VAL A 94 -4.505 -12.984 5.459 1.00 0.00 O ATOM 1530 CB VAL A 94 -2.476 -11.819 2.924 1.00 0.00 C ATOM 1531 CG1 VAL A 94 -1.757 -12.116 1.607 1.00 0.00 C ATOM 1532 CG2 VAL A 94 -3.445 -10.646 2.768 1.00 0.00 C ATOM 0 H VAL A 94 -5.271 -12.776 3.330 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.567 -13.915 3.199 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.724 -11.535 3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.252 -11.216 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.023 -12.907 1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.483 -12.438 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.905 -9.775 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.231 -10.915 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.890 -10.411 3.735 1.00 0.00 H new ATOM 1542 N LYS A 95 -2.256 -13.129 5.663 1.00 0.00 N ATOM 1543 CA LYS A 95 -2.278 -13.130 7.117 1.00 0.00 C ATOM 1544 C LYS A 95 -1.072 -12.349 7.641 1.00 0.00 C ATOM 1545 O LYS A 95 -1.212 -11.504 8.524 1.00 0.00 O ATOM 1546 CB LYS A 95 -2.360 -14.563 7.649 1.00 0.00 C ATOM 1547 CG LYS A 95 -3.609 -14.756 8.512 1.00 0.00 C ATOM 1548 CD LYS A 95 -3.671 -16.176 9.077 1.00 0.00 C ATOM 1549 CE LYS A 95 -5.079 -16.759 8.941 1.00 0.00 C ATOM 1550 NZ LYS A 95 -5.789 -16.705 10.238 1.00 0.00 N ATOM 0 H LYS A 95 -1.325 -13.189 5.250 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.171 -12.625 7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.378 -15.264 6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.470 -14.789 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.605 -14.035 9.330 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.501 -14.558 7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.958 -16.812 8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.377 -16.167 10.127 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.639 -16.202 8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.020 -17.791 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.743 -17.104 10.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.262 -17.256 10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.862 -15.717 10.553 1.00 0.00 H new ATOM 1564 N ASP A 96 0.085 -12.657 7.075 1.00 0.00 N ATOM 1565 CA ASP A 96 1.314 -11.994 7.475 1.00 0.00 C ATOM 1566 C ASP A 96 2.071 -11.536 6.225 1.00 0.00 C ATOM 1567 O ASP A 96 1.901 -12.105 5.149 1.00 0.00 O ATOM 1568 CB ASP A 96 2.224 -12.943 8.255 1.00 0.00 C ATOM 1569 CG ASP A 96 2.067 -14.424 7.905 1.00 0.00 C ATOM 1570 OD1 ASP A 96 1.042 -15.002 8.328 1.00 0.00 O ATOM 1571 OD2 ASP A 96 2.976 -14.945 7.223 1.00 0.00 O ATOM 0 H ASP A 96 0.197 -13.357 6.342 1.00 0.00 H new ATOM 0 HA ASP A 96 1.049 -11.147 8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.260 -12.652 8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.030 -12.814 9.320 1.00 0.00 H new ATOM 1576 N THR A 97 2.890 -10.511 6.412 1.00 0.00 N ATOM 1577 CA THR A 97 3.673 -9.969 5.313 1.00 0.00 C ATOM 1578 C THR A 97 4.597 -11.043 4.737 1.00 0.00 C ATOM 1579 O THR A 97 4.877 -11.050 3.539 1.00 0.00 O ATOM 1580 CB THR A 97 4.419 -8.736 5.827 1.00 0.00 C ATOM 1581 OG1 THR A 97 5.080 -8.225 4.673 1.00 0.00 O ATOM 1582 CG2 THR A 97 5.561 -9.099 6.780 1.00 0.00 C ATOM 0 H THR A 97 3.029 -10.042 7.307 1.00 0.00 H new ATOM 0 HA THR A 97 3.034 -9.658 4.487 1.00 0.00 H new ATOM 0 HB THR A 97 3.719 -8.073 6.335 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.026 -8.073 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.058 -8.189 7.116 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.160 -9.633 7.642 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.279 -9.734 6.262 1.00 0.00 H new ATOM 1590 N LYS A 98 5.046 -11.927 5.618 1.00 0.00 N ATOM 1591 CA LYS A 98 5.934 -13.002 5.211 1.00 0.00 C ATOM 1592 C LYS A 98 5.155 -14.006 4.358 1.00 0.00 C ATOM 1593 O LYS A 98 5.661 -14.494 3.350 1.00 0.00 O ATOM 1594 CB LYS A 98 6.610 -13.629 6.433 1.00 0.00 C ATOM 1595 CG LYS A 98 7.454 -14.840 6.031 1.00 0.00 C ATOM 1596 CD LYS A 98 8.826 -14.404 5.512 1.00 0.00 C ATOM 1597 CE LYS A 98 9.330 -15.357 4.427 1.00 0.00 C ATOM 1598 NZ LYS A 98 10.790 -15.205 4.241 1.00 0.00 N ATOM 0 H LYS A 98 4.811 -11.920 6.611 1.00 0.00 H new ATOM 0 HA LYS A 98 6.742 -12.614 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.241 -12.888 6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.853 -13.933 7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.579 -15.501 6.888 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.934 -15.411 5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.762 -13.392 5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.539 -14.376 6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.098 -16.386 4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.815 -15.154 3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.116 -15.859 3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.004 -14.227 3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.278 -15.421 5.134 1.00 0.00 H new ATOM 1612 N GLU A 99 3.935 -14.283 4.794 1.00 0.00 N ATOM 1613 CA GLU A 99 3.080 -15.219 4.083 1.00 0.00 C ATOM 1614 C GLU A 99 2.745 -14.680 2.691 1.00 0.00 C ATOM 1615 O GLU A 99 2.686 -15.438 1.725 1.00 0.00 O ATOM 1616 CB GLU A 99 1.807 -15.513 4.879 1.00 0.00 C ATOM 1617 CG GLU A 99 1.958 -16.793 5.702 1.00 0.00 C ATOM 1618 CD GLU A 99 1.304 -17.982 4.994 1.00 0.00 C ATOM 1619 OE1 GLU A 99 1.428 -18.040 3.752 1.00 0.00 O ATOM 1620 OE2 GLU A 99 0.695 -18.805 5.711 1.00 0.00 O ATOM 0 H GLU A 99 3.518 -13.876 5.631 1.00 0.00 H new ATOM 0 HA GLU A 99 3.621 -16.158 3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.586 -14.675 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.962 -15.612 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.015 -17.000 5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 99 1.503 -16.654 6.683 1.00 0.00 H new ATOM 1627 N ALA A 100 2.534 -13.372 2.633 1.00 0.00 N ATOM 1628 CA ALA A 100 2.205 -12.722 1.376 1.00 0.00 C ATOM 1629 C ALA A 100 3.444 -12.704 0.477 1.00 0.00 C ATOM 1630 O ALA A 100 3.334 -12.838 -0.740 1.00 0.00 O ATOM 1631 CB ALA A 100 1.665 -11.318 1.652 1.00 0.00 C ATOM 0 H ALA A 100 2.585 -12.746 3.437 1.00 0.00 H new ATOM 0 HA ALA A 100 1.424 -13.274 0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.418 -10.831 0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.769 -11.387 2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.422 -10.733 2.175 1.00 0.00 H new ATOM 1637 N LEU A 101 4.594 -12.538 1.114 1.00 0.00 N ATOM 1638 CA LEU A 101 5.853 -12.502 0.387 1.00 0.00 C ATOM 1639 C LEU A 101 6.139 -13.886 -0.198 1.00 0.00 C ATOM 1640 O LEU A 101 6.523 -14.005 -1.361 1.00 0.00 O ATOM 1641 CB LEU A 101 6.972 -11.968 1.282 1.00 0.00 C ATOM 1642 CG LEU A 101 7.759 -10.775 0.734 1.00 0.00 C ATOM 1643 CD1 LEU A 101 8.907 -10.398 1.671 1.00 0.00 C ATOM 1644 CD2 LEU A 101 8.249 -11.050 -0.690 1.00 0.00 C ATOM 0 H LEU A 101 4.681 -12.427 2.124 1.00 0.00 H new ATOM 0 HA LEU A 101 5.790 -11.809 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.538 -11.682 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.672 -12.780 1.478 1.00 0.00 H new ATOM 0 HG LEU A 101 7.089 -9.917 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.450 -9.548 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.506 -10.132 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.585 -11.245 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.805 -10.187 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.898 -11.926 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.393 -11.233 -1.340 1.00 0.00 H new ATOM 1656 N ASP A 102 5.942 -14.897 0.634 1.00 0.00 N ATOM 1657 CA ASP A 102 6.175 -16.269 0.214 1.00 0.00 C ATOM 1658 C ASP A 102 5.086 -16.686 -0.777 1.00 0.00 C ATOM 1659 O ASP A 102 5.335 -17.485 -1.678 1.00 0.00 O ATOM 1660 CB ASP A 102 6.121 -17.227 1.406 1.00 0.00 C ATOM 1661 CG ASP A 102 6.355 -18.699 1.063 1.00 0.00 C ATOM 1662 OD1 ASP A 102 7.503 -19.017 0.683 1.00 0.00 O ATOM 1663 OD2 ASP A 102 5.382 -19.473 1.188 1.00 0.00 O ATOM 0 H ASP A 102 5.623 -14.794 1.598 1.00 0.00 H new ATOM 0 HA ASP A 102 7.163 -16.318 -0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.868 -16.917 2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.147 -17.132 1.886 1.00 0.00 H new ATOM 1668 N LYS A 103 3.902 -16.125 -0.577 1.00 0.00 N ATOM 1669 CA LYS A 103 2.775 -16.428 -1.442 1.00 0.00 C ATOM 1670 C LYS A 103 3.070 -15.922 -2.855 1.00 0.00 C ATOM 1671 O LYS A 103 2.904 -16.655 -3.828 1.00 0.00 O ATOM 1672 CB LYS A 103 1.479 -15.872 -0.847 1.00 0.00 C ATOM 1673 CG LYS A 103 0.748 -16.940 -0.031 1.00 0.00 C ATOM 1674 CD LYS A 103 -0.521 -17.406 -0.748 1.00 0.00 C ATOM 1675 CE LYS A 103 -1.093 -18.664 -0.090 1.00 0.00 C ATOM 1676 NZ LYS A 103 -0.861 -19.847 -0.947 1.00 0.00 N ATOM 0 H LYS A 103 3.699 -15.462 0.172 1.00 0.00 H new ATOM 0 HA LYS A 103 2.629 -17.506 -1.514 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.704 -15.015 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 103 0.831 -15.514 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.409 -17.791 0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 103 0.490 -16.540 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.266 -16.611 -0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.297 -17.609 -1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.628 -18.816 0.884 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -2.162 -18.537 0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.255 -20.692 -0.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.325 -19.706 -1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.161 -19.976 -1.091 1.00 0.00 H new ATOM 1690 N ILE A 104 3.504 -14.672 -2.922 1.00 0.00 N ATOM 1691 CA ILE A 104 3.824 -14.058 -4.200 1.00 0.00 C ATOM 1692 C ILE A 104 5.113 -14.675 -4.748 1.00 0.00 C ATOM 1693 O ILE A 104 5.246 -14.873 -5.954 1.00 0.00 O ATOM 1694 CB ILE A 104 3.880 -12.535 -4.064 1.00 0.00 C ATOM 1695 CG1 ILE A 104 3.293 -11.853 -5.300 1.00 0.00 C ATOM 1696 CG2 ILE A 104 5.306 -12.064 -3.771 1.00 0.00 C ATOM 1697 CD1 ILE A 104 1.832 -11.464 -5.071 1.00 0.00 C ATOM 0 H ILE A 104 3.642 -14.067 -2.112 1.00 0.00 H new ATOM 0 HA ILE A 104 3.038 -14.261 -4.928 1.00 0.00 H new ATOM 0 HB ILE A 104 3.264 -12.244 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.876 -10.964 -5.540 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.364 -12.522 -6.157 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.319 -10.978 -3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.653 -12.511 -2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.964 -12.367 -4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.440 -10.981 -5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.247 -12.358 -4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.767 -10.775 -4.229 1.00 0.00 H new ATOM 1709 N GLU A 105 6.029 -14.961 -3.834 1.00 0.00 N ATOM 1710 CA GLU A 105 7.303 -15.551 -4.211 1.00 0.00 C ATOM 1711 C GLU A 105 7.084 -16.933 -4.831 1.00 0.00 C ATOM 1712 O GLU A 105 7.746 -17.292 -5.804 1.00 0.00 O ATOM 1713 CB GLU A 105 8.246 -15.632 -3.010 1.00 0.00 C ATOM 1714 CG GLU A 105 9.131 -14.386 -2.922 1.00 0.00 C ATOM 1715 CD GLU A 105 10.479 -14.715 -2.280 1.00 0.00 C ATOM 1716 OE1 GLU A 105 10.557 -14.612 -1.038 1.00 0.00 O ATOM 1717 OE2 GLU A 105 11.403 -15.063 -3.048 1.00 0.00 O ATOM 0 H GLU A 105 5.915 -14.795 -2.834 1.00 0.00 H new ATOM 0 HA GLU A 105 7.773 -14.910 -4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.665 -15.735 -2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.871 -16.521 -3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.290 -13.977 -3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.625 -13.617 -2.339 1.00 0.00 H new