USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 726 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 42 GLN : amide:sc= -1.61! X(o=-2!,f=-2.2) USER MOD Set 1.2: A 98 THR OG1 : rot -90:sc= -0.392 USER MOD Set 2.1: A 9 MET CE :methyl -128:sc= -2.07 (180deg=-2.57!) USER MOD Set 2.2: A 85 HIS : no HE2:sc= -2.75 K(o=-4.8,f=-9.6) USER MOD Set 3.1: A 29 THR OG1 : rot 125:sc= 1.23 USER MOD Set 3.2: A 31 SER OG : rot 180:sc= 1.03 USER MOD Single : A 8 THR OG1 : rot 33:sc= 0.19 USER MOD Single : A 14 SER OG : rot 170:sc= -4.96! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -5.52! K(o=-5.5!,f=-4.9) USER MOD Single : A 32 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.0043) USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= -4.43 (180deg=-4.56) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.725 USER MOD Single : A 38 GLN : amide:sc= -1.18 K(o=-1.2,f=-3.7) USER MOD Single : A 40 GLN : amide:sc= -5.72! C(o=-5.7!,f=-7.5!) USER MOD Single : A 46 HIS : no HD1:sc= -2.32! C(o=-2.3!,f=-7.2!) USER MOD Single : A 47 ASN : amide:sc= -5.08! C(o=-5.1!,f=-5.3!) USER MOD Single : A 48 GLN : amide:sc= -8.55! C(o=-8.5!,f=-20!) USER MOD Single : A 49 THR OG1 : rot 78:sc= 0.0617 USER MOD Single : A 51 SER OG : rot -159:sc= 0.228 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 53 ASN : amide:sc= -0.418 K(o=-0.42,f=-3.2!) USER MOD Single : A 55 ASN : amide:sc= -0.0941 K(o=-0.094,f=-1.8!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0698 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 169:sc= -1.56 (180deg=-2.08!) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 130:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0721 K(o=-0.072,f=1.2) USER MOD Single : A 87 SER OG : rot 110:sc= -1.6 USER MOD Single : A 88 MET CE :methyl -153:sc= -2.54! (180deg=-3.09!) USER MOD Single : A 90 TYR OH : rot 165:sc= -1.13 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 8 -9.581 8.627 8.798 1.00 0.00 N ATOM 67 CA THR A 8 -9.416 7.224 9.140 1.00 0.00 C ATOM 68 C THR A 8 -7.996 6.758 8.811 1.00 0.00 C ATOM 69 O THR A 8 -7.472 7.062 7.741 1.00 0.00 O ATOM 70 CB THR A 8 -10.501 6.429 8.412 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.719 6.899 8.983 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.474 4.941 8.767 1.00 0.00 C ATOM 0 HA THR A 8 -9.537 7.061 10.211 1.00 0.00 H new ATOM 0 HB THR A 8 -10.377 6.548 7.336 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.625 7.845 9.220 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.264 4.423 8.223 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.507 4.519 8.492 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.631 4.820 9.839 1.00 0.00 H new ATOM 80 N MET A 9 -7.415 6.028 9.751 1.00 0.00 N ATOM 81 CA MET A 9 -6.066 5.517 9.574 1.00 0.00 C ATOM 82 C MET A 9 -6.044 3.989 9.656 1.00 0.00 C ATOM 83 O MET A 9 -6.787 3.394 10.435 1.00 0.00 O ATOM 84 CB MET A 9 -5.153 6.099 10.655 1.00 0.00 C ATOM 85 CG MET A 9 -3.727 5.564 10.515 1.00 0.00 C ATOM 86 SD MET A 9 -3.548 4.051 11.445 1.00 0.00 S ATOM 87 CE MET A 9 -4.050 4.619 13.061 1.00 0.00 C ATOM 0 H MET A 9 -7.853 5.778 10.638 1.00 0.00 H new ATOM 0 HA MET A 9 -5.711 5.815 8.587 1.00 0.00 H new ATOM 0 HB2 MET A 9 -5.146 7.187 10.583 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.544 5.847 11.641 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.499 5.384 9.464 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.014 6.307 10.873 1.00 0.00 H new ATOM 0 HE1 MET A 9 -3.289 4.350 13.794 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.171 5.702 13.045 1.00 0.00 H new ATOM 0 HE3 MET A 9 -4.997 4.152 13.333 1.00 0.00 H new ATOM 97 N LEU A 10 -5.183 3.397 8.841 1.00 0.00 N ATOM 98 CA LEU A 10 -5.054 1.950 8.811 1.00 0.00 C ATOM 99 C LEU A 10 -3.572 1.573 8.877 1.00 0.00 C ATOM 100 O LEU A 10 -2.709 2.368 8.508 1.00 0.00 O ATOM 101 CB LEU A 10 -5.781 1.372 7.595 1.00 0.00 C ATOM 102 CG LEU A 10 -7.310 1.394 7.656 1.00 0.00 C ATOM 103 CD1 LEU A 10 -7.916 0.620 6.484 1.00 0.00 C ATOM 104 CD2 LEU A 10 -7.813 0.878 9.005 1.00 0.00 C ATOM 0 H LEU A 10 -4.568 3.893 8.196 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.536 1.507 9.682 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.464 1.925 6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.457 0.340 7.459 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.641 2.429 7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.004 0.651 6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.597 1.073 5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.580 -0.416 6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.903 0.904 9.021 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.473 -0.147 9.152 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.423 1.508 9.804 1.00 0.00 H new ATOM 116 N ARG A 11 -3.324 0.361 9.351 1.00 0.00 N ATOM 117 CA ARG A 11 -1.962 -0.131 9.471 1.00 0.00 C ATOM 118 C ARG A 11 -1.652 -1.115 8.341 1.00 0.00 C ATOM 119 O ARG A 11 -2.269 -2.175 8.250 1.00 0.00 O ATOM 120 CB ARG A 11 -1.743 -0.824 10.817 1.00 0.00 C ATOM 121 CG ARG A 11 -1.104 0.130 11.828 1.00 0.00 C ATOM 122 CD ARG A 11 -0.786 -0.592 13.139 1.00 0.00 C ATOM 123 NE ARG A 11 -0.645 0.390 14.236 1.00 0.00 N ATOM 124 CZ ARG A 11 -0.028 0.135 15.398 1.00 0.00 C ATOM 125 NH1 ARG A 11 0.507 -1.073 15.621 1.00 0.00 N ATOM 126 NH2 ARG A 11 0.052 1.087 16.338 1.00 0.00 N ATOM 0 H ARG A 11 -4.043 -0.295 9.656 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.292 0.726 9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.696 -1.184 11.204 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.104 -1.697 10.681 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.190 0.550 11.409 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.778 0.964 12.022 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.579 -1.301 13.375 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.134 -1.166 13.033 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.042 1.320 14.100 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.445 -1.798 14.906 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.977 -1.267 16.505 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.357 2.006 16.169 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.522 0.892 17.222 1.00 0.00 H new ATOM 140 N VAL A 12 -0.695 -0.730 7.509 1.00 0.00 N ATOM 141 CA VAL A 12 -0.296 -1.565 6.390 1.00 0.00 C ATOM 142 C VAL A 12 1.034 -2.247 6.716 1.00 0.00 C ATOM 143 O VAL A 12 2.077 -1.595 6.753 1.00 0.00 O ATOM 144 CB VAL A 12 -0.242 -0.732 5.108 1.00 0.00 C ATOM 145 CG1 VAL A 12 0.309 -1.555 3.941 1.00 0.00 C ATOM 146 CG2 VAL A 12 -1.618 -0.155 4.770 1.00 0.00 C ATOM 0 H VAL A 12 -0.185 0.150 7.588 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.031 -2.351 6.220 1.00 0.00 H new ATOM 0 HB VAL A 12 0.438 0.102 5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.337 -0.939 3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.317 -1.895 4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.334 -2.418 3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.551 0.433 3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.329 -0.969 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.956 0.483 5.587 1.00 0.00 H new ATOM 156 N ARG A 13 0.955 -3.549 6.946 1.00 0.00 N ATOM 157 CA ARG A 13 2.140 -4.326 7.268 1.00 0.00 C ATOM 158 C ARG A 13 2.687 -5.006 6.012 1.00 0.00 C ATOM 159 O ARG A 13 1.931 -5.597 5.242 1.00 0.00 O ATOM 160 CB ARG A 13 1.831 -5.391 8.322 1.00 0.00 C ATOM 161 CG ARG A 13 3.035 -6.308 8.545 1.00 0.00 C ATOM 162 CD ARG A 13 3.686 -6.039 9.903 1.00 0.00 C ATOM 163 NE ARG A 13 4.146 -7.311 10.504 1.00 0.00 N ATOM 164 CZ ARG A 13 3.370 -8.119 11.239 1.00 0.00 C ATOM 165 NH1 ARG A 13 2.091 -7.793 11.468 1.00 0.00 N ATOM 166 NH2 ARG A 13 3.873 -9.254 11.745 1.00 0.00 N ATOM 0 H ARG A 13 0.088 -4.086 6.916 1.00 0.00 H new ATOM 0 HA ARG A 13 2.887 -3.640 7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.557 -4.910 9.261 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.972 -5.983 8.005 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.718 -7.350 8.490 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.766 -6.154 7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.529 -5.358 9.783 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.973 -5.550 10.567 1.00 0.00 H new ATOM 0 HE ARG A 13 5.115 -7.590 10.349 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.708 -6.930 11.083 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.500 -8.408 12.028 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.847 -9.503 11.571 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.282 -9.869 12.305 1.00 0.00 H new ATOM 180 N SER A 14 3.997 -4.900 5.842 1.00 0.00 N ATOM 181 CA SER A 14 4.654 -5.497 4.692 1.00 0.00 C ATOM 182 C SER A 14 5.448 -6.731 5.126 1.00 0.00 C ATOM 183 O SER A 14 5.511 -7.047 6.313 1.00 0.00 O ATOM 184 CB SER A 14 5.574 -4.491 3.999 1.00 0.00 C ATOM 185 OG SER A 14 6.757 -4.241 4.753 1.00 0.00 O ATOM 0 H SER A 14 4.621 -4.409 6.482 1.00 0.00 H new ATOM 0 HA SER A 14 3.887 -5.798 3.978 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.846 -4.868 3.013 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.037 -3.555 3.846 1.00 0.00 H new ATOM 0 HG SER A 14 7.388 -3.724 4.210 1.00 0.00 H new ATOM 191 N ARG A 15 6.034 -7.394 4.140 1.00 0.00 N ATOM 192 CA ARG A 15 6.822 -8.586 4.405 1.00 0.00 C ATOM 193 C ARG A 15 7.664 -8.397 5.668 1.00 0.00 C ATOM 194 O ARG A 15 7.715 -9.279 6.523 1.00 0.00 O ATOM 195 CB ARG A 15 7.745 -8.909 3.228 1.00 0.00 C ATOM 196 CG ARG A 15 8.111 -7.641 2.454 1.00 0.00 C ATOM 197 CD ARG A 15 9.423 -7.825 1.689 1.00 0.00 C ATOM 198 NE ARG A 15 10.559 -7.352 2.512 1.00 0.00 N ATOM 199 CZ ARG A 15 11.845 -7.611 2.237 1.00 0.00 C ATOM 200 NH1 ARG A 15 12.166 -8.340 1.159 1.00 0.00 N ATOM 201 NH2 ARG A 15 12.809 -7.141 3.039 1.00 0.00 N ATOM 0 H ARG A 15 5.979 -7.129 3.157 1.00 0.00 H new ATOM 0 HA ARG A 15 6.130 -9.416 4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.652 -9.390 3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.255 -9.618 2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.311 -7.393 1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.203 -6.803 3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.561 -8.876 1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.387 -7.271 0.751 1.00 0.00 H new ATOM 0 HE ARG A 15 10.350 -6.794 3.340 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.432 -8.698 0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.145 -8.537 0.950 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.565 -6.586 3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.788 -7.338 2.830 1.00 0.00 H new ATOM 215 N ASP A 16 8.304 -7.239 5.745 1.00 0.00 N ATOM 216 CA ASP A 16 9.141 -6.922 6.890 1.00 0.00 C ATOM 217 C ASP A 16 9.195 -5.404 7.072 1.00 0.00 C ATOM 218 O ASP A 16 10.233 -4.855 7.438 1.00 0.00 O ATOM 219 CB ASP A 16 10.571 -7.424 6.682 1.00 0.00 C ATOM 220 CG ASP A 16 11.187 -8.138 7.886 1.00 0.00 C ATOM 221 OD1 ASP A 16 11.746 -7.423 8.745 1.00 0.00 O ATOM 222 OD2 ASP A 16 11.086 -9.384 7.920 1.00 0.00 O ATOM 0 H ASP A 16 8.260 -6.509 5.034 1.00 0.00 H new ATOM 0 HA ASP A 16 8.712 -7.408 7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.581 -8.105 5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 16 11.203 -6.576 6.419 1.00 0.00 H new ATOM 227 N GLY A 17 8.063 -4.767 6.808 1.00 0.00 N ATOM 228 CA GLY A 17 7.968 -3.323 6.938 1.00 0.00 C ATOM 229 C GLY A 17 6.540 -2.897 7.283 1.00 0.00 C ATOM 230 O GLY A 17 5.632 -3.035 6.465 1.00 0.00 O ATOM 0 H GLY A 17 7.204 -5.225 6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.652 -2.978 7.714 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.278 -2.849 6.007 1.00 0.00 H new ATOM 234 N LEU A 18 6.386 -2.387 8.496 1.00 0.00 N ATOM 235 CA LEU A 18 5.084 -1.939 8.960 1.00 0.00 C ATOM 236 C LEU A 18 4.941 -0.439 8.693 1.00 0.00 C ATOM 237 O LEU A 18 5.791 0.351 9.100 1.00 0.00 O ATOM 238 CB LEU A 18 4.875 -2.326 10.425 1.00 0.00 C ATOM 239 CG LEU A 18 3.490 -2.867 10.785 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.474 -3.430 12.207 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.413 -1.799 10.579 1.00 0.00 C ATOM 0 H LEU A 18 7.142 -2.274 9.172 1.00 0.00 H new ATOM 0 HA LEU A 18 4.289 -2.439 8.406 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.617 -3.078 10.691 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.073 -1.450 11.043 1.00 0.00 H new ATOM 0 HG LEU A 18 3.259 -3.691 10.110 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.478 -3.808 12.438 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.197 -4.242 12.285 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.736 -2.642 12.913 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.438 -2.210 10.842 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.628 -0.939 11.213 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.405 -1.487 9.535 1.00 0.00 H new ATOM 253 N GLU A 19 3.858 -0.092 8.013 1.00 0.00 N ATOM 254 CA GLU A 19 3.593 1.299 7.687 1.00 0.00 C ATOM 255 C GLU A 19 2.105 1.610 7.860 1.00 0.00 C ATOM 256 O GLU A 19 1.291 0.700 8.012 1.00 0.00 O ATOM 257 CB GLU A 19 4.060 1.629 6.268 1.00 0.00 C ATOM 258 CG GLU A 19 5.581 1.506 6.150 1.00 0.00 C ATOM 259 CD GLU A 19 5.975 0.819 4.840 1.00 0.00 C ATOM 260 OE1 GLU A 19 5.547 1.329 3.781 1.00 0.00 O ATOM 261 OE2 GLU A 19 6.694 -0.199 4.927 1.00 0.00 O ATOM 0 H GLU A 19 3.154 -0.750 7.679 1.00 0.00 H new ATOM 0 HA GLU A 19 4.159 1.927 8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.581 0.956 5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.752 2.641 6.006 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.034 2.496 6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.970 0.937 6.995 1.00 0.00 H new ATOM 268 N ARG A 20 1.795 2.898 7.832 1.00 0.00 N ATOM 269 CA ARG A 20 0.419 3.340 7.984 1.00 0.00 C ATOM 270 C ARG A 20 0.024 4.254 6.822 1.00 0.00 C ATOM 271 O ARG A 20 0.863 4.969 6.277 1.00 0.00 O ATOM 272 CB ARG A 20 0.224 4.090 9.303 1.00 0.00 C ATOM 273 CG ARG A 20 1.159 5.297 9.391 1.00 0.00 C ATOM 274 CD ARG A 20 0.508 6.440 10.172 1.00 0.00 C ATOM 275 NE ARG A 20 0.573 7.693 9.386 1.00 0.00 N ATOM 276 CZ ARG A 20 1.647 8.493 9.337 1.00 0.00 C ATOM 277 NH1 ARG A 20 2.751 8.177 10.027 1.00 0.00 N ATOM 278 NH2 ARG A 20 1.616 9.610 8.597 1.00 0.00 N ATOM 0 H ARG A 20 2.473 3.650 7.706 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.216 2.454 7.986 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.811 4.421 9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.413 3.417 10.139 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.091 5.005 9.876 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.415 5.637 8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.530 6.194 10.394 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.015 6.574 11.127 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.251 7.964 8.849 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.775 7.327 10.590 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.568 8.786 9.989 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.775 9.851 8.072 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.433 10.220 8.559 1.00 0.00 H new ATOM 292 N VAL A 21 -1.254 4.201 6.478 1.00 0.00 N ATOM 293 CA VAL A 21 -1.771 5.015 5.391 1.00 0.00 C ATOM 294 C VAL A 21 -3.116 5.616 5.804 1.00 0.00 C ATOM 295 O VAL A 21 -3.886 4.985 6.526 1.00 0.00 O ATOM 296 CB VAL A 21 -1.856 4.184 4.109 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.386 5.024 2.945 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.500 3.565 3.766 1.00 0.00 C ATOM 0 H VAL A 21 -1.947 3.607 6.933 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.095 5.844 5.181 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.561 3.371 4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.436 4.409 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.382 5.395 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.718 5.867 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.588 2.980 2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.235 4.357 3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.179 2.917 4.582 1.00 0.00 H new ATOM 308 N SER A 22 -3.358 6.829 5.328 1.00 0.00 N ATOM 309 CA SER A 22 -4.596 7.522 5.639 1.00 0.00 C ATOM 310 C SER A 22 -5.612 7.309 4.514 1.00 0.00 C ATOM 311 O SER A 22 -5.282 7.460 3.339 1.00 0.00 O ATOM 312 CB SER A 22 -4.352 9.016 5.858 1.00 0.00 C ATOM 313 OG SER A 22 -5.455 9.649 6.499 1.00 0.00 O ATOM 0 H SER A 22 -2.717 7.349 4.729 1.00 0.00 H new ATOM 0 HA SER A 22 -4.996 7.108 6.565 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.455 9.152 6.462 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.166 9.497 4.898 1.00 0.00 H new ATOM 0 HG SER A 22 -5.259 10.601 6.622 1.00 0.00 H new ATOM 319 N VAL A 23 -6.826 6.961 4.915 1.00 0.00 N ATOM 320 CA VAL A 23 -7.891 6.726 3.955 1.00 0.00 C ATOM 321 C VAL A 23 -9.066 7.656 4.266 1.00 0.00 C ATOM 322 O VAL A 23 -8.925 8.605 5.036 1.00 0.00 O ATOM 323 CB VAL A 23 -8.283 5.247 3.959 1.00 0.00 C ATOM 324 CG1 VAL A 23 -7.048 4.353 3.833 1.00 0.00 C ATOM 325 CG2 VAL A 23 -9.088 4.897 5.213 1.00 0.00 C ATOM 0 H VAL A 23 -7.096 6.836 5.891 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.552 6.956 2.945 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.918 5.066 3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.354 3.307 3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.532 4.575 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.377 4.539 4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.354 3.840 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.488 5.102 6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.996 5.499 5.242 1.00 0.00 H new ATOM 335 N ASP A 24 -10.199 7.352 3.650 1.00 0.00 N ATOM 336 CA ASP A 24 -11.397 8.149 3.851 1.00 0.00 C ATOM 337 C ASP A 24 -12.388 7.364 4.713 1.00 0.00 C ATOM 338 O ASP A 24 -12.757 7.807 5.800 1.00 0.00 O ATOM 339 CB ASP A 24 -12.078 8.466 2.518 1.00 0.00 C ATOM 340 CG ASP A 24 -11.206 9.214 1.508 1.00 0.00 C ATOM 341 OD1 ASP A 24 -10.274 8.572 0.977 1.00 0.00 O ATOM 342 OD2 ASP A 24 -11.490 10.412 1.290 1.00 0.00 O ATOM 0 H ASP A 24 -10.313 6.565 3.012 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.105 9.080 4.337 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.411 7.532 2.066 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.970 9.060 2.715 1.00 0.00 H new ATOM 347 N GLY A 25 -12.791 6.213 4.196 1.00 0.00 N ATOM 348 CA GLY A 25 -13.731 5.362 4.905 1.00 0.00 C ATOM 349 C GLY A 25 -14.041 4.098 4.100 1.00 0.00 C ATOM 350 O GLY A 25 -13.315 3.758 3.168 1.00 0.00 O ATOM 0 H GLY A 25 -12.484 5.850 3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.318 5.087 5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.653 5.912 5.095 1.00 0.00 H new ATOM 354 N PRO A 26 -15.149 3.419 4.501 1.00 0.00 N ATOM 355 CA PRO A 26 -15.564 2.199 3.829 1.00 0.00 C ATOM 356 C PRO A 26 -16.203 2.511 2.474 1.00 0.00 C ATOM 357 O PRO A 26 -16.215 1.666 1.580 1.00 0.00 O ATOM 358 CB PRO A 26 -16.521 1.523 4.795 1.00 0.00 C ATOM 359 CG PRO A 26 -16.967 2.604 5.766 1.00 0.00 C ATOM 360 CD PRO A 26 -16.033 3.792 5.602 1.00 0.00 C ATOM 0 HA PRO A 26 -14.727 1.542 3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.374 1.097 4.266 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.031 0.704 5.321 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -17.997 2.897 5.564 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.937 2.233 6.790 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.587 4.703 5.374 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.469 3.982 6.516 1.00 0.00 H new ATOM 368 N HIS A 27 -16.718 3.727 2.364 1.00 0.00 N ATOM 369 CA HIS A 27 -17.357 4.160 1.133 1.00 0.00 C ATOM 370 C HIS A 27 -16.384 3.994 -0.036 1.00 0.00 C ATOM 371 O HIS A 27 -16.798 3.973 -1.194 1.00 0.00 O ATOM 372 CB HIS A 27 -17.882 5.591 1.269 1.00 0.00 C ATOM 373 CG HIS A 27 -16.897 6.550 1.894 1.00 0.00 C ATOM 374 ND1 HIS A 27 -17.159 7.901 2.046 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.650 6.340 2.404 1.00 0.00 C ATOM 376 CE1 HIS A 27 -16.109 8.468 2.622 1.00 0.00 C ATOM 377 NE2 HIS A 27 -15.175 7.499 2.843 1.00 0.00 N ATOM 0 H HIS A 27 -16.706 4.426 3.107 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.225 3.534 0.929 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -18.157 5.961 0.282 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.792 5.578 1.870 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -18.015 8.379 1.763 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -15.136 5.391 2.444 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -16.010 9.514 2.873 1.00 0.00 H new ATOM 385 N ILE A 28 -15.110 3.879 0.307 1.00 0.00 N ATOM 386 CA ILE A 28 -14.075 3.715 -0.700 1.00 0.00 C ATOM 387 C ILE A 28 -13.876 2.224 -0.982 1.00 0.00 C ATOM 388 O ILE A 28 -14.176 1.383 -0.136 1.00 0.00 O ATOM 389 CB ILE A 28 -12.795 4.437 -0.275 1.00 0.00 C ATOM 390 CG1 ILE A 28 -12.073 3.667 0.832 1.00 0.00 C ATOM 391 CG2 ILE A 28 -13.090 5.882 0.130 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.788 3.024 0.305 1.00 0.00 C ATOM 0 H ILE A 28 -14.770 3.896 1.269 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.379 4.180 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.123 4.474 -1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.835 4.342 1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.732 2.896 1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.163 6.373 0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.528 6.414 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.790 5.890 0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.294 2.483 1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -11.032 2.331 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.122 3.799 -0.073 1.00 0.00 H new ATOM 404 N THR A 29 -13.371 1.942 -2.174 1.00 0.00 N ATOM 405 CA THR A 29 -13.128 0.568 -2.578 1.00 0.00 C ATOM 406 C THR A 29 -11.637 0.240 -2.483 1.00 0.00 C ATOM 407 O THR A 29 -10.803 1.141 -2.405 1.00 0.00 O ATOM 408 CB THR A 29 -13.704 0.379 -3.983 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.070 1.394 -4.757 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.192 0.729 -4.058 1.00 0.00 C ATOM 0 H THR A 29 -13.123 2.642 -2.873 1.00 0.00 H new ATOM 0 HA THR A 29 -13.626 -0.135 -1.910 1.00 0.00 H new ATOM 0 HB THR A 29 -13.557 -0.654 -4.299 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.630 0.987 -5.533 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.551 0.578 -5.076 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.751 0.088 -3.377 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.335 1.772 -3.774 1.00 0.00 H new ATOM 418 N VAL A 30 -11.346 -1.053 -2.494 1.00 0.00 N ATOM 419 CA VAL A 30 -9.970 -1.511 -2.411 1.00 0.00 C ATOM 420 C VAL A 30 -9.114 -0.726 -3.407 1.00 0.00 C ATOM 421 O VAL A 30 -8.014 -0.288 -3.076 1.00 0.00 O ATOM 422 CB VAL A 30 -9.908 -3.024 -2.630 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.460 -3.518 -2.636 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.736 -3.765 -1.579 1.00 0.00 C ATOM 0 H VAL A 30 -12.040 -1.798 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.564 -1.324 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.339 -3.239 -3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.444 -4.596 -2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.911 -3.026 -3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.992 -3.284 -1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.675 -4.838 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.348 -3.540 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.776 -3.445 -1.644 1.00 0.00 H new ATOM 434 N SER A 31 -9.653 -0.573 -4.608 1.00 0.00 N ATOM 435 CA SER A 31 -8.952 0.151 -5.655 1.00 0.00 C ATOM 436 C SER A 31 -8.456 1.496 -5.120 1.00 0.00 C ATOM 437 O SER A 31 -7.289 1.844 -5.292 1.00 0.00 O ATOM 438 CB SER A 31 -9.852 0.365 -6.874 1.00 0.00 C ATOM 439 OG SER A 31 -11.138 0.859 -6.508 1.00 0.00 O ATOM 0 H SER A 31 -10.566 -0.938 -4.879 1.00 0.00 H new ATOM 0 HA SER A 31 -8.096 -0.446 -5.969 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.375 1.067 -7.558 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.965 -0.577 -7.411 1.00 0.00 H new ATOM 0 HG SER A 31 -11.682 0.983 -7.314 1.00 0.00 H new ATOM 445 N GLN A 32 -9.368 2.215 -4.482 1.00 0.00 N ATOM 446 CA GLN A 32 -9.037 3.514 -3.920 1.00 0.00 C ATOM 447 C GLN A 32 -7.992 3.363 -2.813 1.00 0.00 C ATOM 448 O GLN A 32 -7.225 4.288 -2.548 1.00 0.00 O ATOM 449 CB GLN A 32 -10.290 4.220 -3.398 1.00 0.00 C ATOM 450 CG GLN A 32 -11.263 4.525 -4.539 1.00 0.00 C ATOM 451 CD GLN A 32 -12.101 5.767 -4.228 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.598 6.872 -4.107 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.403 5.525 -4.108 1.00 0.00 N ATOM 0 H GLN A 32 -10.335 1.923 -4.342 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.613 4.133 -4.711 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.782 3.593 -2.654 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -10.008 5.147 -2.898 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.707 4.679 -5.464 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.920 3.670 -4.700 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.758 4.575 -4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.047 6.289 -3.902 1.00 0.00 H new ATOM 462 N LEU A 33 -7.994 2.190 -2.196 1.00 0.00 N ATOM 463 CA LEU A 33 -7.056 1.907 -1.124 1.00 0.00 C ATOM 464 C LEU A 33 -5.662 1.690 -1.717 1.00 0.00 C ATOM 465 O LEU A 33 -4.714 2.385 -1.352 1.00 0.00 O ATOM 466 CB LEU A 33 -7.551 0.735 -0.274 1.00 0.00 C ATOM 467 CG LEU A 33 -7.257 0.822 1.224 1.00 0.00 C ATOM 468 CD1 LEU A 33 -8.145 -0.141 2.015 1.00 0.00 C ATOM 469 CD2 LEU A 33 -5.770 0.591 1.505 1.00 0.00 C ATOM 0 H LEU A 33 -8.631 1.425 -2.419 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.986 2.757 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.629 0.645 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.104 -0.182 -0.659 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.497 1.831 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.915 -0.059 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.193 0.111 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.961 -1.162 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.588 0.658 2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.482 -0.398 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.180 1.348 0.989 1.00 0.00 H new ATOM 481 N LYS A 34 -5.581 0.725 -2.620 1.00 0.00 N ATOM 482 CA LYS A 34 -4.319 0.409 -3.267 1.00 0.00 C ATOM 483 C LYS A 34 -3.680 1.698 -3.788 1.00 0.00 C ATOM 484 O LYS A 34 -2.504 1.956 -3.539 1.00 0.00 O ATOM 485 CB LYS A 34 -4.521 -0.657 -4.346 1.00 0.00 C ATOM 486 CG LYS A 34 -5.442 -1.773 -3.848 1.00 0.00 C ATOM 487 CD LYS A 34 -5.136 -3.093 -4.559 1.00 0.00 C ATOM 488 CE LYS A 34 -4.183 -3.955 -3.729 1.00 0.00 C ATOM 489 NZ LYS A 34 -3.068 -3.136 -3.203 1.00 0.00 N ATOM 0 H LYS A 34 -6.369 0.151 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.622 -0.025 -2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.948 -0.200 -5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.557 -1.077 -4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.319 -1.898 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.482 -1.495 -4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.063 -3.638 -4.737 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.693 -2.891 -5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.725 -4.415 -2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.789 -4.765 -4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.378 -3.753 -2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.604 -2.636 -3.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.438 -2.442 -2.522 1.00 0.00 H new ATOM 503 N THR A 35 -4.484 2.473 -4.501 1.00 0.00 N ATOM 504 CA THR A 35 -4.013 3.728 -5.059 1.00 0.00 C ATOM 505 C THR A 35 -3.308 4.558 -3.984 1.00 0.00 C ATOM 506 O THR A 35 -2.227 5.096 -4.219 1.00 0.00 O ATOM 507 CB THR A 35 -5.208 4.443 -5.692 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.233 3.959 -7.031 1.00 0.00 O ATOM 509 CG2 THR A 35 -4.977 5.948 -5.844 1.00 0.00 C ATOM 0 H THR A 35 -5.459 2.255 -4.705 1.00 0.00 H new ATOM 0 HA THR A 35 -3.268 3.560 -5.837 1.00 0.00 H new ATOM 0 HB THR A 35 -6.096 4.272 -5.084 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.980 4.371 -7.514 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.855 6.407 -6.298 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.803 6.390 -4.863 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.108 6.120 -6.479 1.00 0.00 H new ATOM 517 N LEU A 36 -3.949 4.637 -2.827 1.00 0.00 N ATOM 518 CA LEU A 36 -3.398 5.392 -1.715 1.00 0.00 C ATOM 519 C LEU A 36 -1.987 4.884 -1.409 1.00 0.00 C ATOM 520 O LEU A 36 -1.003 5.570 -1.683 1.00 0.00 O ATOM 521 CB LEU A 36 -4.343 5.344 -0.513 1.00 0.00 C ATOM 522 CG LEU A 36 -5.342 6.497 -0.399 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.373 6.222 0.697 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.621 7.829 -0.186 1.00 0.00 C ATOM 0 H LEU A 36 -4.846 4.190 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.308 6.446 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.901 4.408 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.742 5.319 0.396 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.885 6.572 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.071 7.057 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.919 5.308 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.864 6.105 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.355 8.631 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.035 7.783 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.959 8.023 -1.030 1.00 0.00 H new ATOM 536 N ILE A 37 -1.934 3.686 -0.845 1.00 0.00 N ATOM 537 CA ILE A 37 -0.660 3.078 -0.499 1.00 0.00 C ATOM 538 C ILE A 37 0.260 3.100 -1.721 1.00 0.00 C ATOM 539 O ILE A 37 1.473 3.254 -1.587 1.00 0.00 O ATOM 540 CB ILE A 37 -0.875 1.680 0.084 1.00 0.00 C ATOM 541 CG1 ILE A 37 -1.456 1.759 1.497 1.00 0.00 C ATOM 542 CG2 ILE A 37 0.418 0.864 0.041 1.00 0.00 C ATOM 543 CD1 ILE A 37 -2.784 1.004 1.587 1.00 0.00 C ATOM 0 H ILE A 37 -2.752 3.120 -0.619 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.164 3.652 0.284 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.605 1.160 -0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.746 1.340 2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.607 2.802 1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.238 -0.125 0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.751 0.764 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.188 1.371 0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.175 1.076 2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.499 1.441 0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.625 -0.044 1.333 1.00 0.00 H new ATOM 555 N GLN A 38 -0.353 2.944 -2.886 1.00 0.00 N ATOM 556 CA GLN A 38 0.396 2.944 -4.131 1.00 0.00 C ATOM 557 C GLN A 38 1.165 4.257 -4.288 1.00 0.00 C ATOM 558 O GLN A 38 2.236 4.285 -4.893 1.00 0.00 O ATOM 559 CB GLN A 38 -0.528 2.704 -5.326 1.00 0.00 C ATOM 560 CG GLN A 38 0.040 3.342 -6.596 1.00 0.00 C ATOM 561 CD GLN A 38 -0.584 4.716 -6.845 1.00 0.00 C ATOM 562 OE1 GLN A 38 -0.034 5.749 -6.498 1.00 0.00 O ATOM 563 NE2 GLN A 38 -1.761 4.672 -7.464 1.00 0.00 N ATOM 0 H GLN A 38 -1.359 2.817 -2.993 1.00 0.00 H new ATOM 0 HA GLN A 38 1.116 2.126 -4.099 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.658 1.633 -5.480 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.514 3.118 -5.117 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.122 3.441 -6.505 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.150 2.692 -7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.166 3.773 -7.727 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.259 5.537 -7.675 1.00 0.00 H new ATOM 572 N ASP A 39 0.590 5.313 -3.732 1.00 0.00 N ATOM 573 CA ASP A 39 1.208 6.626 -3.803 1.00 0.00 C ATOM 574 C ASP A 39 2.090 6.837 -2.570 1.00 0.00 C ATOM 575 O ASP A 39 3.304 6.994 -2.691 1.00 0.00 O ATOM 576 CB ASP A 39 0.151 7.732 -3.823 1.00 0.00 C ATOM 577 CG ASP A 39 0.585 9.029 -4.509 1.00 0.00 C ATOM 578 OD1 ASP A 39 1.587 8.970 -5.253 1.00 0.00 O ATOM 579 OD2 ASP A 39 -0.096 10.051 -4.274 1.00 0.00 O ATOM 0 H ASP A 39 -0.298 5.286 -3.230 1.00 0.00 H new ATOM 0 HA ASP A 39 1.796 6.673 -4.719 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.740 7.354 -4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.134 7.960 -2.796 1.00 0.00 H new ATOM 584 N GLN A 40 1.445 6.833 -1.413 1.00 0.00 N ATOM 585 CA GLN A 40 2.155 7.022 -0.160 1.00 0.00 C ATOM 586 C GLN A 40 3.394 6.125 -0.111 1.00 0.00 C ATOM 587 O GLN A 40 4.511 6.611 0.057 1.00 0.00 O ATOM 588 CB GLN A 40 1.238 6.756 1.036 1.00 0.00 C ATOM 589 CG GLN A 40 0.376 7.980 1.348 1.00 0.00 C ATOM 590 CD GLN A 40 -0.586 7.693 2.503 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.191 7.319 3.596 1.00 0.00 O ATOM 592 NE2 GLN A 40 -1.867 7.887 2.202 1.00 0.00 N ATOM 0 H GLN A 40 0.438 6.702 -1.317 1.00 0.00 H new ATOM 0 HA GLN A 40 2.480 8.061 -0.103 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.597 5.900 0.824 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.838 6.497 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.016 8.824 1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.190 8.266 0.461 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.129 8.201 1.268 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.587 7.722 2.906 1.00 0.00 H new ATOM 601 N LEU A 41 3.154 4.830 -0.262 1.00 0.00 N ATOM 602 CA LEU A 41 4.236 3.861 -0.237 1.00 0.00 C ATOM 603 C LEU A 41 4.968 3.887 -1.580 1.00 0.00 C ATOM 604 O LEU A 41 6.091 3.395 -1.689 1.00 0.00 O ATOM 605 CB LEU A 41 3.707 2.478 0.149 1.00 0.00 C ATOM 606 CG LEU A 41 2.880 2.411 1.434 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.866 0.991 2.003 1.00 0.00 C ATOM 608 CD2 LEU A 41 3.374 3.434 2.458 1.00 0.00 C ATOM 0 H LEU A 41 2.226 4.430 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 41 4.966 4.123 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.097 2.102 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.556 1.802 0.251 1.00 0.00 H new ATOM 0 HG LEU A 41 1.850 2.671 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.271 0.971 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.431 0.310 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.886 0.679 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.769 3.365 3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.416 3.230 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.289 4.437 2.040 1.00 0.00 H new ATOM 620 N GLN A 42 4.303 4.464 -2.570 1.00 0.00 N ATOM 621 CA GLN A 42 4.876 4.560 -3.902 1.00 0.00 C ATOM 622 C GLN A 42 5.052 3.166 -4.506 1.00 0.00 C ATOM 623 O GLN A 42 6.152 2.794 -4.911 1.00 0.00 O ATOM 624 CB GLN A 42 6.206 5.316 -3.872 1.00 0.00 C ATOM 625 CG GLN A 42 5.977 6.828 -3.839 1.00 0.00 C ATOM 626 CD GLN A 42 5.126 7.280 -5.027 1.00 0.00 C ATOM 627 OE1 GLN A 42 5.309 6.850 -6.154 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.189 8.171 -4.714 1.00 0.00 N ATOM 0 H GLN A 42 3.372 4.870 -2.476 1.00 0.00 H new ATOM 0 HA GLN A 42 4.188 5.123 -4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.781 5.013 -2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.797 5.053 -4.749 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.483 7.104 -2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.936 7.345 -3.857 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.089 8.489 -3.750 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.570 8.536 -5.438 1.00 0.00 H new ATOM 637 N ILE A 43 3.950 2.431 -4.547 1.00 0.00 N ATOM 638 CA ILE A 43 3.968 1.085 -5.095 1.00 0.00 C ATOM 639 C ILE A 43 2.833 0.938 -6.111 1.00 0.00 C ATOM 640 O ILE A 43 1.744 1.476 -5.913 1.00 0.00 O ATOM 641 CB ILE A 43 3.926 0.048 -3.971 1.00 0.00 C ATOM 642 CG1 ILE A 43 5.043 0.296 -2.955 1.00 0.00 C ATOM 643 CG2 ILE A 43 3.969 -1.374 -4.535 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.682 -0.293 -1.590 1.00 0.00 C ATOM 0 H ILE A 43 3.039 2.742 -4.210 1.00 0.00 H new ATOM 0 HA ILE A 43 4.900 0.903 -5.629 1.00 0.00 H new ATOM 0 HB ILE A 43 2.979 0.156 -3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.971 -0.149 -3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.220 1.367 -2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.938 -2.092 -3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.111 -1.532 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.889 -1.512 -5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.492 -0.103 -0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.767 0.172 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.529 -1.368 -1.686 1.00 0.00 H new ATOM 656 N PRO A 44 3.134 0.186 -7.204 1.00 0.00 N ATOM 657 CA PRO A 44 2.151 -0.039 -8.251 1.00 0.00 C ATOM 658 C PRO A 44 1.095 -1.051 -7.803 1.00 0.00 C ATOM 659 O PRO A 44 1.427 -2.090 -7.233 1.00 0.00 O ATOM 660 CB PRO A 44 2.956 -0.512 -9.450 1.00 0.00 C ATOM 661 CG PRO A 44 4.293 -0.978 -8.898 1.00 0.00 C ATOM 662 CD PRO A 44 4.412 -0.466 -7.471 1.00 0.00 C ATOM 0 HA PRO A 44 1.585 0.859 -8.497 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.444 -1.322 -9.969 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.091 0.293 -10.172 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.357 -2.066 -8.920 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.112 -0.598 -9.509 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.594 -1.282 -6.771 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.242 0.233 -7.369 1.00 0.00 H new ATOM 670 N ILE A 45 -0.156 -0.713 -8.076 1.00 0.00 N ATOM 671 CA ILE A 45 -1.263 -1.579 -7.709 1.00 0.00 C ATOM 672 C ILE A 45 -0.985 -2.997 -8.212 1.00 0.00 C ATOM 673 O ILE A 45 -0.987 -3.948 -7.432 1.00 0.00 O ATOM 674 CB ILE A 45 -2.587 -0.998 -8.209 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.702 0.487 -7.858 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.775 -1.806 -7.681 1.00 0.00 C ATOM 677 CD1 ILE A 45 -4.160 0.948 -7.897 1.00 0.00 C ATOM 0 H ILE A 45 -0.428 0.150 -8.548 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.357 -1.638 -6.625 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.604 -1.074 -9.296 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.288 0.663 -6.865 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.111 1.077 -8.559 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.704 -1.372 -8.051 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.695 -2.838 -8.024 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.774 -1.785 -6.591 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.214 2.007 -7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.564 0.793 -8.898 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.743 0.373 -7.178 1.00 0.00 H new ATOM 689 N HIS A 46 -0.750 -3.094 -9.512 1.00 0.00 N ATOM 690 CA HIS A 46 -0.470 -4.379 -10.129 1.00 0.00 C ATOM 691 C HIS A 46 0.519 -5.160 -9.261 1.00 0.00 C ATOM 692 O HIS A 46 0.551 -6.389 -9.302 1.00 0.00 O ATOM 693 CB HIS A 46 0.017 -4.198 -11.567 1.00 0.00 C ATOM 694 CG HIS A 46 0.675 -2.864 -11.829 1.00 0.00 C ATOM 695 ND1 HIS A 46 -0.040 -1.684 -11.941 1.00 0.00 N ATOM 696 CD2 HIS A 46 1.988 -2.536 -11.997 1.00 0.00 C ATOM 697 CE1 HIS A 46 0.814 -0.697 -12.168 1.00 0.00 C ATOM 698 NE2 HIS A 46 2.071 -1.227 -12.203 1.00 0.00 N ATOM 0 H HIS A 46 -0.748 -2.303 -10.156 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.387 -4.964 -10.190 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.724 -4.993 -11.803 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.830 -4.313 -12.244 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.820 -3.224 -11.967 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.560 0.344 -12.302 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.932 -0.704 -12.361 1.00 0.00 H new ATOM 706 N ASN A 47 1.303 -4.413 -8.497 1.00 0.00 N ATOM 707 CA ASN A 47 2.291 -5.020 -7.621 1.00 0.00 C ATOM 708 C ASN A 47 1.713 -5.134 -6.209 1.00 0.00 C ATOM 709 O ASN A 47 1.828 -6.179 -5.570 1.00 0.00 O ATOM 710 CB ASN A 47 3.558 -4.166 -7.545 1.00 0.00 C ATOM 711 CG ASN A 47 4.478 -4.442 -8.736 1.00 0.00 C ATOM 712 OD1 ASN A 47 4.104 -5.079 -9.707 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.698 -3.928 -8.608 1.00 0.00 N ATOM 0 H ASN A 47 1.274 -3.394 -8.466 1.00 0.00 H new ATOM 0 HA ASN A 47 2.541 -6.002 -8.024 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.288 -3.110 -7.526 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.087 -4.376 -6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.386 -4.057 -9.350 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.945 -3.405 -7.768 1.00 0.00 H new ATOM 720 N GLN A 48 1.104 -4.045 -5.763 1.00 0.00 N ATOM 721 CA GLN A 48 0.507 -4.011 -4.439 1.00 0.00 C ATOM 722 C GLN A 48 -0.491 -5.159 -4.276 1.00 0.00 C ATOM 723 O GLN A 48 -1.321 -5.393 -5.152 1.00 0.00 O ATOM 724 CB GLN A 48 -0.162 -2.661 -4.174 1.00 0.00 C ATOM 725 CG GLN A 48 0.875 -1.537 -4.112 1.00 0.00 C ATOM 726 CD GLN A 48 0.294 -0.290 -3.443 1.00 0.00 C ATOM 727 OE1 GLN A 48 0.956 0.410 -2.695 1.00 0.00 O ATOM 728 NE2 GLN A 48 -0.978 -0.053 -3.753 1.00 0.00 N ATOM 0 H GLN A 48 1.011 -3.180 -6.295 1.00 0.00 H new ATOM 0 HA GLN A 48 1.300 -4.138 -3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.886 -2.449 -4.961 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.714 -2.703 -3.235 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.751 -1.876 -3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.210 -1.291 -5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.474 -0.680 -4.387 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.457 0.756 -3.357 1.00 0.00 H new ATOM 737 N THR A 49 -0.377 -5.844 -3.147 1.00 0.00 N ATOM 738 CA THR A 49 -1.259 -6.962 -2.858 1.00 0.00 C ATOM 739 C THR A 49 -1.756 -6.888 -1.413 1.00 0.00 C ATOM 740 O THR A 49 -1.040 -7.263 -0.486 1.00 0.00 O ATOM 741 CB THR A 49 -0.504 -8.254 -3.176 1.00 0.00 C ATOM 742 OG1 THR A 49 -0.446 -8.280 -4.600 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.307 -9.505 -2.813 1.00 0.00 C ATOM 0 H THR A 49 0.313 -5.646 -2.422 1.00 0.00 H new ATOM 0 HA THR A 49 -2.154 -6.931 -3.479 1.00 0.00 H new ATOM 0 HB THR A 49 0.444 -8.263 -2.639 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.258 -7.672 -4.910 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.726 -10.394 -3.059 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.527 -9.499 -1.746 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.240 -9.514 -3.376 1.00 0.00 H new ATOM 751 N LEU A 50 -2.981 -6.403 -1.266 1.00 0.00 N ATOM 752 CA LEU A 50 -3.582 -6.276 0.050 1.00 0.00 C ATOM 753 C LEU A 50 -4.252 -7.598 0.430 1.00 0.00 C ATOM 754 O LEU A 50 -4.803 -8.288 -0.428 1.00 0.00 O ATOM 755 CB LEU A 50 -4.527 -5.073 0.094 1.00 0.00 C ATOM 756 CG LEU A 50 -3.861 -3.696 0.049 1.00 0.00 C ATOM 757 CD1 LEU A 50 -4.846 -2.598 0.458 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.591 -3.673 0.902 1.00 0.00 C ATOM 0 H LEU A 50 -3.573 -6.094 -2.037 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.817 -6.079 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.218 -5.148 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.123 -5.137 1.004 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.562 -3.494 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.348 -1.629 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.695 -2.598 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.197 -2.784 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.137 -2.683 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.843 -3.905 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.886 -4.414 0.525 1.00 0.00 H new ATOM 770 N SER A 51 -4.184 -7.912 1.715 1.00 0.00 N ATOM 771 CA SER A 51 -4.777 -9.139 2.218 1.00 0.00 C ATOM 772 C SER A 51 -4.942 -9.056 3.737 1.00 0.00 C ATOM 773 O SER A 51 -4.072 -8.533 4.432 1.00 0.00 O ATOM 774 CB SER A 51 -3.928 -10.356 1.843 1.00 0.00 C ATOM 775 OG SER A 51 -4.643 -11.577 2.009 1.00 0.00 O ATOM 0 H SER A 51 -3.727 -7.338 2.423 1.00 0.00 H new ATOM 0 HA SER A 51 -5.758 -9.258 1.758 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.602 -10.265 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.030 -10.375 2.460 1.00 0.00 H new ATOM 0 HG SER A 51 -4.008 -12.320 2.088 1.00 0.00 H new ATOM 781 N THR A 52 -6.064 -9.580 4.208 1.00 0.00 N ATOM 782 CA THR A 52 -6.354 -9.571 5.632 1.00 0.00 C ATOM 783 C THR A 52 -5.811 -10.839 6.294 1.00 0.00 C ATOM 784 O THR A 52 -6.391 -11.338 7.257 1.00 0.00 O ATOM 785 CB THR A 52 -7.864 -9.395 5.805 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.430 -10.229 4.798 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.336 -7.988 5.432 1.00 0.00 C ATOM 0 H THR A 52 -6.783 -10.014 3.629 1.00 0.00 H new ATOM 0 HA THR A 52 -5.855 -8.741 6.133 1.00 0.00 H new ATOM 0 HB THR A 52 -8.137 -9.608 6.838 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.408 -10.176 4.840 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.415 -7.917 5.573 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.838 -7.257 6.068 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.092 -7.787 4.389 1.00 0.00 H new ATOM 795 N ASN A 53 -4.703 -11.322 5.753 1.00 0.00 N ATOM 796 CA ASN A 53 -4.074 -12.522 6.279 1.00 0.00 C ATOM 797 C ASN A 53 -2.558 -12.321 6.324 1.00 0.00 C ATOM 798 O ASN A 53 -1.913 -12.203 5.283 1.00 0.00 O ATOM 799 CB ASN A 53 -4.365 -13.732 5.389 1.00 0.00 C ATOM 800 CG ASN A 53 -4.923 -14.896 6.211 1.00 0.00 C ATOM 801 OD1 ASN A 53 -5.210 -14.775 7.391 1.00 0.00 O ATOM 802 ND2 ASN A 53 -5.059 -16.026 5.524 1.00 0.00 N ATOM 0 H ASN A 53 -4.224 -10.904 4.955 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.475 -12.703 7.276 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.079 -13.454 4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.451 -14.044 4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.423 -16.861 5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.799 -16.058 4.538 1.00 0.00 H new ATOM 809 N ARG A 54 -2.033 -12.287 7.539 1.00 0.00 N ATOM 810 CA ARG A 54 -0.605 -12.102 7.733 1.00 0.00 C ATOM 811 C ARG A 54 0.180 -13.118 6.900 1.00 0.00 C ATOM 812 O ARG A 54 1.363 -12.921 6.627 1.00 0.00 O ATOM 813 CB ARG A 54 -0.224 -12.258 9.207 1.00 0.00 C ATOM 814 CG ARG A 54 -0.208 -13.732 9.616 1.00 0.00 C ATOM 815 CD ARG A 54 -1.058 -13.963 10.867 1.00 0.00 C ATOM 816 NE ARG A 54 -1.915 -15.156 10.685 1.00 0.00 N ATOM 817 CZ ARG A 54 -2.751 -15.630 11.618 1.00 0.00 C ATOM 818 NH1 ARG A 54 -2.847 -15.016 12.805 1.00 0.00 N ATOM 819 NH2 ARG A 54 -3.491 -16.718 11.365 1.00 0.00 N ATOM 0 H ARG A 54 -2.571 -12.384 8.400 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.355 -11.091 7.410 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.758 -11.818 9.381 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.933 -11.712 9.829 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.586 -14.344 8.797 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.817 -14.050 9.805 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.413 -14.098 11.735 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.677 -13.087 11.063 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.866 -15.648 9.793 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.284 -14.188 12.998 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.484 -15.377 13.516 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.418 -17.186 10.462 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.127 -17.079 12.076 1.00 0.00 H new ATOM 833 N ASN A 55 -0.511 -14.183 6.520 1.00 0.00 N ATOM 834 CA ASN A 55 0.106 -15.230 5.724 1.00 0.00 C ATOM 835 C ASN A 55 0.563 -14.645 4.386 1.00 0.00 C ATOM 836 O ASN A 55 1.397 -15.234 3.700 1.00 0.00 O ATOM 837 CB ASN A 55 -0.886 -16.358 5.433 1.00 0.00 C ATOM 838 CG ASN A 55 -1.014 -17.299 6.632 1.00 0.00 C ATOM 839 OD1 ASN A 55 -0.209 -17.290 7.550 1.00 0.00 O ATOM 840 ND2 ASN A 55 -2.066 -18.110 6.574 1.00 0.00 N ATOM 0 H ASN A 55 -1.492 -14.343 6.749 1.00 0.00 H new ATOM 0 HA ASN A 55 0.950 -15.629 6.287 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.862 -15.936 5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.557 -16.920 4.559 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.238 -18.776 7.327 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.701 -18.066 5.777 1.00 0.00 H new ATOM 847 N LEU A 56 -0.003 -13.494 4.055 1.00 0.00 N ATOM 848 CA LEU A 56 0.336 -12.823 2.812 1.00 0.00 C ATOM 849 C LEU A 56 1.830 -12.496 2.805 1.00 0.00 C ATOM 850 O LEU A 56 2.485 -12.592 1.768 1.00 0.00 O ATOM 851 CB LEU A 56 -0.562 -11.603 2.599 1.00 0.00 C ATOM 852 CG LEU A 56 -0.112 -10.619 1.518 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.112 -11.281 0.139 1.00 0.00 C ATOM 854 CD2 LEU A 56 -0.963 -9.348 1.544 1.00 0.00 C ATOM 0 H LEU A 56 -0.695 -13.009 4.627 1.00 0.00 H new ATOM 0 HA LEU A 56 0.149 -13.479 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.564 -11.953 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.639 -11.064 3.543 1.00 0.00 H new ATOM 0 HG LEU A 56 0.915 -10.323 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.212 -10.559 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.571 -12.131 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.118 -11.625 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.622 -8.666 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.007 -9.606 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.867 -8.866 2.517 1.00 0.00 H new ATOM 866 N LEU A 57 2.326 -12.116 3.973 1.00 0.00 N ATOM 867 CA LEU A 57 3.731 -11.774 4.115 1.00 0.00 C ATOM 868 C LEU A 57 4.584 -13.008 3.813 1.00 0.00 C ATOM 869 O LEU A 57 5.782 -12.891 3.560 1.00 0.00 O ATOM 870 CB LEU A 57 3.997 -11.164 5.492 1.00 0.00 C ATOM 871 CG LEU A 57 3.030 -10.065 5.938 1.00 0.00 C ATOM 872 CD1 LEU A 57 3.414 -9.522 7.315 1.00 0.00 C ATOM 873 CD2 LEU A 57 2.939 -8.955 4.889 1.00 0.00 C ATOM 0 H LEU A 57 1.779 -12.037 4.831 1.00 0.00 H new ATOM 0 HA LEU A 57 4.012 -11.007 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.973 -11.964 6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.007 -10.755 5.497 1.00 0.00 H new ATOM 0 HG LEU A 57 2.036 -10.502 6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.711 -8.742 7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.385 -10.330 8.046 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.421 -9.106 7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.245 -8.187 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.924 -8.514 4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.582 -9.373 3.947 1.00 0.00 H new ATOM 885 N LEU A 58 3.934 -14.161 3.850 1.00 0.00 N ATOM 886 CA LEU A 58 4.618 -15.415 3.584 1.00 0.00 C ATOM 887 C LEU A 58 4.782 -15.591 2.073 1.00 0.00 C ATOM 888 O LEU A 58 5.869 -15.916 1.596 1.00 0.00 O ATOM 889 CB LEU A 58 3.891 -16.577 4.263 1.00 0.00 C ATOM 890 CG LEU A 58 3.555 -16.384 5.744 1.00 0.00 C ATOM 891 CD1 LEU A 58 2.839 -17.614 6.308 1.00 0.00 C ATOM 892 CD2 LEU A 58 4.806 -16.030 6.549 1.00 0.00 C ATOM 0 H LEU A 58 2.940 -14.254 4.060 1.00 0.00 H new ATOM 0 HA LEU A 58 5.619 -15.401 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.964 -16.765 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.505 -17.472 4.164 1.00 0.00 H new ATOM 0 HG LEU A 58 2.868 -15.542 5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.611 -17.451 7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.913 -17.780 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.482 -18.488 6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.539 -15.898 7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.536 -16.834 6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.236 -15.105 6.165 1.00 0.00 H new ATOM 904 N ALA A 59 3.687 -15.369 1.362 1.00 0.00 N ATOM 905 CA ALA A 59 3.695 -15.499 -0.085 1.00 0.00 C ATOM 906 C ALA A 59 4.967 -14.857 -0.643 1.00 0.00 C ATOM 907 O ALA A 59 5.184 -13.657 -0.479 1.00 0.00 O ATOM 908 CB ALA A 59 2.424 -14.872 -0.662 1.00 0.00 C ATOM 0 H ALA A 59 2.788 -15.100 1.761 1.00 0.00 H new ATOM 0 HA ALA A 59 3.701 -16.550 -0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.431 -14.970 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.550 -15.382 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.385 -13.816 -0.393 1.00 0.00 H new ATOM 914 N LYS A 60 5.774 -15.684 -1.292 1.00 0.00 N ATOM 915 CA LYS A 60 7.018 -15.212 -1.875 1.00 0.00 C ATOM 916 C LYS A 60 6.896 -15.218 -3.400 1.00 0.00 C ATOM 917 O LYS A 60 7.545 -14.426 -4.081 1.00 0.00 O ATOM 918 CB LYS A 60 8.200 -16.029 -1.350 1.00 0.00 C ATOM 919 CG LYS A 60 8.706 -15.469 -0.019 1.00 0.00 C ATOM 920 CD LYS A 60 9.678 -14.309 -0.248 1.00 0.00 C ATOM 921 CE LYS A 60 11.096 -14.689 0.182 1.00 0.00 C ATOM 922 NZ LYS A 60 11.876 -15.176 -0.977 1.00 0.00 N ATOM 0 H LYS A 60 5.590 -16.678 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 60 7.213 -14.183 -1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.899 -17.069 -1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.007 -16.020 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.862 -15.128 0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.202 -16.258 0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.676 -14.031 -1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.346 -13.435 0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.592 -13.825 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.055 -15.461 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.836 -15.430 -0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.410 -16.013 -1.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.931 -14.428 -1.698 1.00 0.00 H new ATOM 936 N SER A 61 6.058 -16.119 -3.891 1.00 0.00 N ATOM 937 CA SER A 61 5.843 -16.238 -5.323 1.00 0.00 C ATOM 938 C SER A 61 4.596 -15.450 -5.732 1.00 0.00 C ATOM 939 O SER A 61 3.885 -14.921 -4.880 1.00 0.00 O ATOM 940 CB SER A 61 5.704 -17.704 -5.740 1.00 0.00 C ATOM 941 OG SER A 61 6.772 -18.121 -6.587 1.00 0.00 O ATOM 0 H SER A 61 5.520 -16.773 -3.323 1.00 0.00 H new ATOM 0 HA SER A 61 6.712 -15.824 -5.834 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.680 -18.333 -4.850 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.755 -17.846 -6.257 1.00 0.00 H new ATOM 0 HG SER A 61 6.648 -19.062 -6.830 1.00 0.00 H new ATOM 947 N PRO A 62 4.364 -15.396 -7.071 1.00 0.00 N ATOM 948 CA PRO A 62 3.216 -14.681 -7.603 1.00 0.00 C ATOM 949 C PRO A 62 1.926 -15.472 -7.377 1.00 0.00 C ATOM 950 O PRO A 62 0.932 -14.922 -6.903 1.00 0.00 O ATOM 951 CB PRO A 62 3.533 -14.469 -9.075 1.00 0.00 C ATOM 952 CG PRO A 62 4.624 -15.471 -9.415 1.00 0.00 C ATOM 953 CD PRO A 62 5.186 -16.010 -8.110 1.00 0.00 C ATOM 0 HA PRO A 62 3.046 -13.727 -7.104 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.649 -14.630 -9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.869 -13.448 -9.259 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.221 -16.283 -10.021 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.410 -14.995 -10.001 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.125 -17.098 -8.072 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.237 -15.745 -7.992 1.00 0.00 H new ATOM 961 N SER A 63 1.983 -16.748 -7.726 1.00 0.00 N ATOM 962 CA SER A 63 0.831 -17.620 -7.567 1.00 0.00 C ATOM 963 C SER A 63 0.355 -17.598 -6.113 1.00 0.00 C ATOM 964 O SER A 63 -0.846 -17.621 -5.849 1.00 0.00 O ATOM 965 CB SER A 63 1.159 -19.051 -7.996 1.00 0.00 C ATOM 966 OG SER A 63 2.225 -19.607 -7.231 1.00 0.00 O ATOM 0 H SER A 63 2.809 -17.200 -8.119 1.00 0.00 H new ATOM 0 HA SER A 63 0.032 -17.251 -8.210 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.271 -19.674 -7.887 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.428 -19.060 -9.052 1.00 0.00 H new ATOM 0 HG SER A 63 2.403 -20.522 -7.534 1.00 0.00 H new ATOM 972 N ASP A 64 1.321 -17.552 -5.208 1.00 0.00 N ATOM 973 CA ASP A 64 1.016 -17.527 -3.788 1.00 0.00 C ATOM 974 C ASP A 64 0.128 -16.318 -3.483 1.00 0.00 C ATOM 975 O ASP A 64 -0.878 -16.443 -2.786 1.00 0.00 O ATOM 976 CB ASP A 64 2.291 -17.398 -2.952 1.00 0.00 C ATOM 977 CG ASP A 64 2.200 -17.979 -1.540 1.00 0.00 C ATOM 978 OD1 ASP A 64 1.125 -17.812 -0.926 1.00 0.00 O ATOM 979 OD2 ASP A 64 3.209 -18.577 -1.106 1.00 0.00 O ATOM 0 H ASP A 64 2.316 -17.531 -5.431 1.00 0.00 H new ATOM 0 HA ASP A 64 0.512 -18.460 -3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.106 -17.893 -3.481 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.554 -16.343 -2.878 1.00 0.00 H new ATOM 984 N PHE A 65 0.532 -15.177 -4.021 1.00 0.00 N ATOM 985 CA PHE A 65 -0.215 -13.947 -3.815 1.00 0.00 C ATOM 986 C PHE A 65 -1.617 -14.050 -4.418 1.00 0.00 C ATOM 987 O PHE A 65 -2.517 -13.304 -4.035 1.00 0.00 O ATOM 988 CB PHE A 65 0.554 -12.833 -4.528 1.00 0.00 C ATOM 989 CG PHE A 65 1.809 -12.370 -3.787 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.732 -12.006 -2.479 1.00 0.00 C ATOM 991 CD2 PHE A 65 3.004 -12.322 -4.436 1.00 0.00 C ATOM 992 CE1 PHE A 65 2.897 -11.576 -1.791 1.00 0.00 C ATOM 993 CE2 PHE A 65 4.169 -11.893 -3.748 1.00 0.00 C ATOM 994 CZ PHE A 65 4.091 -11.529 -2.440 1.00 0.00 C ATOM 0 H PHE A 65 1.366 -15.078 -4.599 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.321 -13.750 -2.748 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.838 -13.180 -5.521 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.109 -11.979 -4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.784 -12.044 -1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.066 -12.610 -5.475 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.835 -11.286 -0.752 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.117 -11.856 -4.263 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.978 -11.203 -1.917 1.00 0.00 H new ATOM 1004 N LEU A 66 -1.759 -14.980 -5.350 1.00 0.00 N ATOM 1005 CA LEU A 66 -3.037 -15.190 -6.010 1.00 0.00 C ATOM 1006 C LEU A 66 -3.970 -15.957 -5.071 1.00 0.00 C ATOM 1007 O LEU A 66 -5.173 -16.040 -5.316 1.00 0.00 O ATOM 1008 CB LEU A 66 -2.835 -15.870 -7.365 1.00 0.00 C ATOM 1009 CG LEU A 66 -1.953 -15.120 -8.366 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -1.554 -16.027 -9.532 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.635 -13.838 -8.846 1.00 0.00 C ATOM 0 H LEU A 66 -1.010 -15.597 -5.664 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.515 -14.235 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.400 -16.855 -7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.813 -16.028 -7.820 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.035 -14.825 -7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.928 -15.470 -10.229 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.000 -16.885 -9.152 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.450 -16.373 -10.047 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.987 -13.325 -9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.579 -14.088 -9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.827 -13.187 -7.993 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.381 -16.498 -4.014 1.00 0.00 N ATOM 1024 CA ALA A 67 -4.145 -17.255 -3.038 1.00 0.00 C ATOM 1025 C ALA A 67 -5.028 -16.299 -2.234 1.00 0.00 C ATOM 1026 O ALA A 67 -6.127 -16.663 -1.818 1.00 0.00 O ATOM 1027 CB ALA A 67 -3.189 -18.052 -2.147 1.00 0.00 C ATOM 0 H ALA A 67 -2.384 -16.427 -3.813 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.800 -17.970 -3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.763 -18.620 -1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.605 -18.737 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.517 -17.367 -1.630 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.515 -15.092 -2.041 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.244 -14.080 -1.295 1.00 0.00 C ATOM 1035 C PHE A 68 -6.101 -13.223 -2.228 1.00 0.00 C ATOM 1036 O PHE A 68 -5.592 -12.318 -2.888 1.00 0.00 O ATOM 1037 CB PHE A 68 -4.202 -13.189 -0.616 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.215 -13.950 0.272 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -3.567 -14.293 1.540 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -1.987 -14.282 -0.207 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -2.651 -15.000 2.364 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -1.071 -14.989 0.617 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.422 -15.332 1.885 1.00 0.00 C ATOM 0 H PHE A 68 -3.604 -14.793 -2.388 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.907 -14.555 -0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.645 -12.651 -1.383 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.716 -12.442 -0.012 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.542 -14.028 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.708 -14.008 -1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.930 -15.274 3.371 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.096 -15.254 0.236 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.725 -15.868 2.512 1.00 0.00 H new ATOM 1053 N THR A 69 -7.388 -13.537 -2.252 1.00 0.00 N ATOM 1054 CA THR A 69 -8.321 -12.807 -3.093 1.00 0.00 C ATOM 1055 C THR A 69 -9.501 -12.298 -2.263 1.00 0.00 C ATOM 1056 O THR A 69 -10.657 -12.506 -2.628 1.00 0.00 O ATOM 1057 CB THR A 69 -8.739 -13.725 -4.244 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.392 -14.815 -3.599 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.541 -14.369 -4.943 1.00 0.00 C ATOM 0 H THR A 69 -7.807 -14.287 -1.702 1.00 0.00 H new ATOM 0 HA THR A 69 -7.856 -11.918 -3.520 1.00 0.00 H new ATOM 0 HB THR A 69 -9.320 -13.156 -4.970 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.697 -15.458 -4.272 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.893 -15.010 -5.751 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.897 -13.591 -5.352 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.979 -14.966 -4.225 1.00 0.00 H new ATOM 1067 N ASP A 70 -9.169 -11.640 -1.162 1.00 0.00 N ATOM 1068 CA ASP A 70 -10.186 -11.100 -0.277 1.00 0.00 C ATOM 1069 C ASP A 70 -10.289 -9.588 -0.488 1.00 0.00 C ATOM 1070 O ASP A 70 -11.358 -9.004 -0.316 1.00 0.00 O ATOM 1071 CB ASP A 70 -9.830 -11.349 1.190 1.00 0.00 C ATOM 1072 CG ASP A 70 -8.338 -11.536 1.470 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -7.539 -10.989 0.679 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -8.029 -12.220 2.469 1.00 0.00 O ATOM 0 H ASP A 70 -8.209 -11.469 -0.863 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.130 -11.594 -0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.194 -10.510 1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.363 -12.236 1.532 1.00 0.00 H new ATOM 1079 N MET A 71 -9.162 -8.996 -0.857 1.00 0.00 N ATOM 1080 CA MET A 71 -9.111 -7.564 -1.093 1.00 0.00 C ATOM 1081 C MET A 71 -8.485 -7.254 -2.454 1.00 0.00 C ATOM 1082 O MET A 71 -7.922 -6.178 -2.653 1.00 0.00 O ATOM 1083 CB MET A 71 -8.292 -6.893 0.011 1.00 0.00 C ATOM 1084 CG MET A 71 -9.070 -6.860 1.328 1.00 0.00 C ATOM 1085 SD MET A 71 -8.114 -6.020 2.580 1.00 0.00 S ATOM 1086 CE MET A 71 -7.816 -4.467 1.753 1.00 0.00 C ATOM 0 H MET A 71 -8.277 -9.483 -0.998 1.00 0.00 H new ATOM 0 HA MET A 71 -10.130 -7.178 -1.087 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.355 -7.431 0.152 1.00 0.00 H new ATOM 0 HB3 MET A 71 -8.034 -5.877 -0.289 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.023 -6.351 1.184 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.296 -7.876 1.652 1.00 0.00 H new ATOM 0 HE1 MET A 71 -7.401 -3.751 2.462 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.110 -4.619 0.936 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.754 -4.081 1.354 1.00 0.00 H new ATOM 1096 N ALA A 72 -8.603 -8.217 -3.357 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.056 -8.060 -4.694 1.00 0.00 C ATOM 1098 C ALA A 72 -9.047 -7.278 -5.558 1.00 0.00 C ATOM 1099 O ALA A 72 -8.658 -6.359 -6.278 1.00 0.00 O ATOM 1100 CB ALA A 72 -7.733 -9.437 -5.278 1.00 0.00 C ATOM 0 H ALA A 72 -9.069 -9.108 -3.189 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.126 -7.492 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.323 -9.320 -6.281 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.003 -9.939 -4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.643 -10.034 -5.326 1.00 0.00 H new ATOM 1106 N ASP A 73 -10.308 -7.672 -5.460 1.00 0.00 N ATOM 1107 CA ASP A 73 -11.358 -7.020 -6.224 1.00 0.00 C ATOM 1108 C ASP A 73 -11.332 -5.517 -5.937 1.00 0.00 C ATOM 1109 O ASP A 73 -11.485 -5.097 -4.792 1.00 0.00 O ATOM 1110 CB ASP A 73 -12.737 -7.552 -5.831 1.00 0.00 C ATOM 1111 CG ASP A 73 -13.911 -6.927 -6.587 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -13.894 -7.015 -7.834 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -14.799 -6.376 -5.901 1.00 0.00 O ATOM 0 H ASP A 73 -10.626 -8.435 -4.863 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.182 -7.222 -7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.753 -8.630 -5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.883 -7.387 -4.763 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.132 -4.728 -7.027 1.00 0.00 N ATOM 1119 CA PRO A 74 -11.084 -3.281 -6.904 1.00 0.00 C ATOM 1120 C PRO A 74 -12.485 -2.701 -6.698 1.00 0.00 C ATOM 1121 O PRO A 74 -12.633 -1.588 -6.196 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.424 -2.799 -8.185 1.00 0.00 C ATOM 1123 CG PRO A 74 -10.549 -3.945 -9.175 1.00 0.00 C ATOM 1124 CD PRO A 74 -10.946 -5.190 -8.399 1.00 0.00 C ATOM 0 HA PRO A 74 -10.519 -2.952 -6.032 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.914 -1.901 -8.563 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.378 -2.543 -8.013 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.296 -3.714 -9.934 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.605 -4.105 -9.695 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.861 -5.629 -8.796 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.173 -5.956 -8.457 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.478 -3.483 -7.097 1.00 0.00 N ATOM 1133 CA ASN A 75 -14.862 -3.061 -6.963 1.00 0.00 C ATOM 1134 C ASN A 75 -15.376 -3.447 -5.574 1.00 0.00 C ATOM 1135 O ASN A 75 -16.507 -3.123 -5.215 1.00 0.00 O ATOM 1136 CB ASN A 75 -15.750 -3.748 -8.003 1.00 0.00 C ATOM 1137 CG ASN A 75 -15.385 -3.298 -9.418 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -15.056 -2.149 -9.668 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -15.460 -4.264 -10.329 1.00 0.00 N ATOM 0 H ASN A 75 -13.351 -4.406 -7.513 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.902 -1.982 -7.111 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.641 -4.830 -7.922 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.796 -3.517 -7.803 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.235 -4.064 -11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -15.742 -5.205 -10.053 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.520 -4.132 -4.831 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.873 -4.565 -3.489 1.00 0.00 C ATOM 1148 C LEU A 76 -14.573 -3.438 -2.499 1.00 0.00 C ATOM 1149 O LEU A 76 -13.567 -2.743 -2.630 1.00 0.00 O ATOM 1150 CB LEU A 76 -14.174 -5.884 -3.151 1.00 0.00 C ATOM 1151 CG LEU A 76 -14.127 -6.255 -1.667 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -14.688 -7.660 -1.436 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -12.710 -6.105 -1.109 1.00 0.00 C ATOM 0 H LEU A 76 -13.583 -4.398 -5.132 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.941 -4.771 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.676 -6.687 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.152 -5.838 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.764 -5.559 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.643 -7.899 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -15.724 -7.698 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.097 -8.384 -1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.704 -6.375 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.033 -6.762 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.382 -5.072 -1.221 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.464 -3.292 -1.530 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.308 -2.262 -0.518 1.00 0.00 C ATOM 1167 C ARG A 77 -14.729 -2.862 0.766 1.00 0.00 C ATOM 1168 O ARG A 77 -15.041 -3.998 1.119 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.647 -1.593 -0.201 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.392 -1.223 -1.485 1.00 0.00 C ATOM 1171 CD ARG A 77 -18.379 -2.323 -1.882 1.00 0.00 C ATOM 1172 NE ARG A 77 -19.709 -1.735 -2.159 1.00 0.00 N ATOM 1173 CZ ARG A 77 -20.024 -1.089 -3.290 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -19.107 -0.945 -4.257 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -21.256 -0.588 -3.454 1.00 0.00 N ATOM 0 H ARG A 77 -16.297 -3.871 -1.424 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.624 -1.511 -0.913 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.261 -2.265 0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.478 -0.697 0.397 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.927 -0.284 -1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.677 -1.063 -2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.014 -2.849 -2.764 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.457 -3.059 -1.082 1.00 0.00 H new ATOM 0 HE ARG A 77 -20.431 -1.827 -1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.170 -1.327 -4.132 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -19.347 -0.453 -5.118 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -21.954 -0.698 -2.718 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.496 -0.096 -4.315 1.00 0.00 H new ATOM 1189 N ILE A 78 -13.897 -2.071 1.428 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.273 -2.510 2.664 1.00 0.00 C ATOM 1191 C ILE A 78 -14.355 -2.968 3.643 1.00 0.00 C ATOM 1192 O ILE A 78 -14.123 -3.858 4.459 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.362 -1.414 3.222 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -13.119 -0.092 3.365 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -11.100 -1.263 2.371 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -12.387 0.860 4.313 1.00 0.00 C ATOM 0 H ILE A 78 -13.641 -1.129 1.132 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.626 -3.368 2.480 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.042 -1.712 4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.228 0.376 2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.124 -0.283 3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.471 -0.478 2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.550 -2.204 2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.379 -0.999 1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -12.946 1.792 4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.301 0.399 5.297 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.391 1.069 3.922 1.00 0.00 H new ATOM 1208 N SER A 79 -15.516 -2.339 3.529 1.00 0.00 N ATOM 1209 CA SER A 79 -16.635 -2.671 4.394 1.00 0.00 C ATOM 1210 C SER A 79 -16.852 -4.186 4.411 1.00 0.00 C ATOM 1211 O SER A 79 -17.388 -4.729 5.376 1.00 0.00 O ATOM 1212 CB SER A 79 -17.911 -1.958 3.942 1.00 0.00 C ATOM 1213 OG SER A 79 -18.823 -1.761 5.019 1.00 0.00 O ATOM 0 H SER A 79 -15.706 -1.601 2.851 1.00 0.00 H new ATOM 0 HA SER A 79 -16.399 -2.332 5.403 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.652 -0.993 3.505 1.00 0.00 H new ATOM 0 HB3 SER A 79 -18.395 -2.542 3.159 1.00 0.00 H new ATOM 0 HG SER A 79 -19.624 -1.302 4.690 1.00 0.00 H new ATOM 1219 N SER A 80 -16.425 -4.825 3.332 1.00 0.00 N ATOM 1220 CA SER A 80 -16.565 -6.266 3.210 1.00 0.00 C ATOM 1221 C SER A 80 -15.883 -6.959 4.391 1.00 0.00 C ATOM 1222 O SER A 80 -16.296 -8.043 4.802 1.00 0.00 O ATOM 1223 CB SER A 80 -15.979 -6.767 1.889 1.00 0.00 C ATOM 1224 OG SER A 80 -16.111 -8.179 1.749 1.00 0.00 O ATOM 0 H SER A 80 -15.982 -4.371 2.534 1.00 0.00 H new ATOM 0 HA SER A 80 -17.628 -6.509 3.219 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.481 -6.272 1.058 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.925 -6.494 1.833 1.00 0.00 H new ATOM 0 HG SER A 80 -16.504 -8.386 0.875 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.850 -6.306 4.903 1.00 0.00 N ATOM 1231 CA LEU A 81 -14.107 -6.847 6.029 1.00 0.00 C ATOM 1232 C LEU A 81 -14.361 -5.981 7.265 1.00 0.00 C ATOM 1233 O LEU A 81 -14.053 -6.387 8.385 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.626 -6.991 5.673 1.00 0.00 C ATOM 1235 CG LEU A 81 -12.260 -6.741 4.208 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -10.754 -6.525 4.048 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -12.776 -7.871 3.314 1.00 0.00 C ATOM 0 H LEU A 81 -14.510 -5.408 4.559 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.454 -7.853 6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.055 -6.299 6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.305 -7.998 5.940 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.752 -5.824 3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.521 -6.350 2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.446 -5.661 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.221 -7.410 4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.503 -7.669 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.332 -8.816 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.861 -7.934 3.397 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.921 -4.806 7.020 1.00 0.00 N ATOM 1250 CA ASN A 82 -15.220 -3.880 8.100 1.00 0.00 C ATOM 1251 C ASN A 82 -13.913 -3.430 8.756 1.00 0.00 C ATOM 1252 O ASN A 82 -13.599 -3.845 9.871 1.00 0.00 O ATOM 1253 CB ASN A 82 -16.083 -4.546 9.173 1.00 0.00 C ATOM 1254 CG ASN A 82 -17.554 -4.155 9.013 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -18.151 -4.300 7.959 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -18.103 -3.652 10.116 1.00 0.00 N ATOM 0 H ASN A 82 -15.176 -4.473 6.090 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.760 -3.032 7.678 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.981 -5.629 9.106 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.730 -4.253 10.162 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -19.081 -3.361 10.112 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -17.546 -3.558 10.965 1.00 0.00 H new ATOM 1263 N LEU A 83 -13.187 -2.587 8.037 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.921 -2.076 8.536 1.00 0.00 C ATOM 1265 C LEU A 83 -12.145 -0.700 9.166 1.00 0.00 C ATOM 1266 O LEU A 83 -12.459 0.263 8.468 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.867 -2.080 7.428 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.619 -3.426 6.744 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -10.056 -4.449 7.733 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -11.887 -3.934 6.055 1.00 0.00 C ATOM 0 H LEU A 83 -13.451 -2.245 7.113 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.530 -2.726 9.318 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.165 -1.358 6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.925 -1.730 7.849 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.867 -3.280 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.889 -5.397 7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.112 -4.083 8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.766 -4.597 8.547 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.682 -4.892 5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.678 -4.059 6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.205 -3.213 5.302 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.974 -0.651 10.479 1.00 0.00 N ATOM 1283 CA ALA A 84 -12.153 0.592 11.212 1.00 0.00 C ATOM 1284 C ALA A 84 -10.784 1.150 11.603 1.00 0.00 C ATOM 1285 O ALA A 84 -9.760 0.503 11.386 1.00 0.00 O ATOM 1286 CB ALA A 84 -13.051 0.344 12.426 1.00 0.00 C ATOM 0 H ALA A 84 -11.713 -1.452 11.055 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.647 1.338 10.589 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.185 1.276 12.976 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.021 -0.023 12.092 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.587 -0.397 13.076 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.809 2.345 12.174 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.582 2.998 12.598 1.00 0.00 C ATOM 1294 C HIS A 85 -8.906 2.162 13.687 1.00 0.00 C ATOM 1295 O HIS A 85 -9.328 2.184 14.843 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.856 4.437 13.039 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.609 5.255 13.275 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -8.457 6.545 12.795 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -7.459 4.955 13.944 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -7.265 6.990 13.165 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.648 6.003 13.876 1.00 0.00 N ATOM 0 H HIS A 85 -11.660 2.878 12.353 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.891 3.063 11.757 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.463 4.930 12.279 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.445 4.419 13.956 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -9.145 7.064 12.250 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -7.245 4.022 14.444 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.854 7.964 12.943 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.868 1.446 13.281 1.00 0.00 N ATOM 1310 CA GLY A 86 -7.130 0.605 14.207 1.00 0.00 C ATOM 1311 C GLY A 86 -6.945 -0.805 13.641 1.00 0.00 C ATOM 1312 O GLY A 86 -6.010 -1.510 14.015 1.00 0.00 O ATOM 0 H GLY A 86 -7.520 1.431 12.322 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.156 1.050 14.410 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.661 0.552 15.158 1.00 0.00 H new ATOM 1316 N SER A 87 -7.852 -1.173 12.747 1.00 0.00 N ATOM 1317 CA SER A 87 -7.800 -2.485 12.125 1.00 0.00 C ATOM 1318 C SER A 87 -6.386 -2.765 11.613 1.00 0.00 C ATOM 1319 O SER A 87 -5.531 -1.882 11.625 1.00 0.00 O ATOM 1320 CB SER A 87 -8.811 -2.592 10.982 1.00 0.00 C ATOM 1321 OG SER A 87 -8.696 -3.829 10.283 1.00 0.00 O ATOM 0 H SER A 87 -8.627 -0.585 12.439 1.00 0.00 H new ATOM 0 HA SER A 87 -8.061 -3.231 12.875 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.821 -2.493 11.380 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.660 -1.767 10.286 1.00 0.00 H new ATOM 0 HG SER A 87 -9.479 -4.387 10.474 1.00 0.00 H new ATOM 1327 N MET A 88 -6.185 -3.999 11.174 1.00 0.00 N ATOM 1328 CA MET A 88 -4.889 -4.408 10.658 1.00 0.00 C ATOM 1329 C MET A 88 -4.981 -4.777 9.176 1.00 0.00 C ATOM 1330 O MET A 88 -5.994 -5.312 8.728 1.00 0.00 O ATOM 1331 CB MET A 88 -4.379 -5.611 11.454 1.00 0.00 C ATOM 1332 CG MET A 88 -3.001 -6.052 10.956 1.00 0.00 C ATOM 1333 SD MET A 88 -1.730 -5.053 11.713 1.00 0.00 S ATOM 1334 CE MET A 88 -0.575 -4.942 10.356 1.00 0.00 C ATOM 0 H MET A 88 -6.897 -4.729 11.165 1.00 0.00 H new ATOM 0 HA MET A 88 -4.197 -3.573 10.763 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.323 -5.354 12.512 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.084 -6.437 11.363 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.839 -7.103 11.194 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.950 -5.959 9.871 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.432 -4.796 10.746 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.608 -5.863 9.774 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.843 -4.100 9.718 1.00 0.00 H new ATOM 1344 N VAL A 89 -3.909 -4.477 8.457 1.00 0.00 N ATOM 1345 CA VAL A 89 -3.856 -4.771 7.035 1.00 0.00 C ATOM 1346 C VAL A 89 -2.406 -5.036 6.628 1.00 0.00 C ATOM 1347 O VAL A 89 -1.481 -4.463 7.201 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.501 -3.633 6.241 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -4.539 -3.960 4.747 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -5.903 -3.321 6.770 1.00 0.00 C ATOM 0 H VAL A 89 -3.071 -4.034 8.833 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.427 -5.671 6.809 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.887 -2.742 6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.002 -3.135 4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.523 -4.109 4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.119 -4.869 4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.339 -2.509 6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.531 -4.208 6.682 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.839 -3.024 7.817 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.252 -5.906 5.640 1.00 0.00 N ATOM 1361 CA TYR A 90 -0.929 -6.254 5.149 1.00 0.00 C ATOM 1362 C TYR A 90 -0.766 -5.853 3.681 1.00 0.00 C ATOM 1363 O TYR A 90 -1.753 -5.667 2.971 1.00 0.00 O ATOM 1364 CB TYR A 90 -0.825 -7.776 5.263 1.00 0.00 C ATOM 1365 CG TYR A 90 -0.791 -8.291 6.703 1.00 0.00 C ATOM 1366 CD1 TYR A 90 0.364 -8.177 7.450 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -1.916 -8.870 7.256 1.00 0.00 C ATOM 1368 CE1 TYR A 90 0.395 -8.661 8.806 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -1.884 -9.355 8.611 1.00 0.00 C ATOM 1370 CZ TYR A 90 -0.730 -9.227 9.319 1.00 0.00 C ATOM 1371 OH TYR A 90 -0.700 -9.685 10.600 1.00 0.00 O ATOM 0 H TYR A 90 -3.021 -6.380 5.167 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.159 -5.737 5.722 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.672 -8.228 4.746 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.076 -8.108 4.748 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.244 -7.725 7.018 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.820 -8.959 6.672 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.292 -8.576 9.402 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.757 -9.810 9.055 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.615 -9.840 10.914 1.00 0.00 H new ATOM 1381 N LEU A 91 0.488 -5.731 3.271 1.00 0.00 N ATOM 1382 CA LEU A 91 0.793 -5.354 1.901 1.00 0.00 C ATOM 1383 C LEU A 91 1.748 -6.385 1.294 1.00 0.00 C ATOM 1384 O LEU A 91 2.389 -7.144 2.019 1.00 0.00 O ATOM 1385 CB LEU A 91 1.321 -3.919 1.844 1.00 0.00 C ATOM 1386 CG LEU A 91 1.737 -3.411 0.462 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.535 -3.348 -0.482 1.00 0.00 C ATOM 1388 CD2 LEU A 91 2.456 -2.065 0.566 1.00 0.00 C ATOM 0 H LEU A 91 1.304 -5.886 3.863 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.112 -5.360 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.552 -3.254 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.180 -3.842 2.511 1.00 0.00 H new ATOM 0 HG LEU A 91 2.445 -4.121 0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.857 -2.984 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.105 -4.344 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.215 -2.671 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.741 -1.727 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.791 -1.332 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.349 -2.176 1.181 1.00 0.00 H new ATOM 1400 N ALA A 92 1.811 -6.379 -0.029 1.00 0.00 N ATOM 1401 CA ALA A 92 2.676 -7.303 -0.741 1.00 0.00 C ATOM 1402 C ALA A 92 2.912 -6.784 -2.161 1.00 0.00 C ATOM 1403 O ALA A 92 1.968 -6.629 -2.934 1.00 0.00 O ATOM 1404 CB ALA A 92 2.052 -8.700 -0.728 1.00 0.00 C ATOM 0 H ALA A 92 1.277 -5.748 -0.627 1.00 0.00 H new ATOM 0 HA ALA A 92 3.647 -7.374 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.701 -9.393 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.932 -9.036 0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.077 -8.668 -1.214 1.00 0.00 H new ATOM 1410 N TYR A 93 4.177 -6.530 -2.461 1.00 0.00 N ATOM 1411 CA TYR A 93 4.549 -6.031 -3.774 1.00 0.00 C ATOM 1412 C TYR A 93 5.792 -6.750 -4.302 1.00 0.00 C ATOM 1413 O TYR A 93 6.566 -7.310 -3.527 1.00 0.00 O ATOM 1414 CB TYR A 93 4.874 -4.548 -3.586 1.00 0.00 C ATOM 1415 CG TYR A 93 5.938 -4.275 -2.521 1.00 0.00 C ATOM 1416 CD1 TYR A 93 5.665 -4.526 -1.192 1.00 0.00 C ATOM 1417 CD2 TYR A 93 7.171 -3.777 -2.889 1.00 0.00 C ATOM 1418 CE1 TYR A 93 6.666 -4.269 -0.189 1.00 0.00 C ATOM 1419 CE2 TYR A 93 8.173 -3.520 -1.887 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.871 -3.779 -0.586 1.00 0.00 C ATOM 1421 OH TYR A 93 8.816 -3.536 0.360 1.00 0.00 O ATOM 0 H TYR A 93 4.957 -6.660 -1.817 1.00 0.00 H new ATOM 0 HA TYR A 93 3.743 -6.195 -4.489 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.213 -4.137 -4.537 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.961 -4.018 -3.317 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.700 -4.916 -0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.385 -3.580 -3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.464 -4.461 0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.142 -3.131 -2.162 1.00 0.00 H new ATOM 0 HH TYR A 93 9.626 -3.189 -0.069 1.00 0.00 H new ATOM 1431 N GLU A 94 5.944 -6.713 -5.618 1.00 0.00 N ATOM 1432 CA GLU A 94 7.080 -7.354 -6.259 1.00 0.00 C ATOM 1433 C GLU A 94 8.170 -6.324 -6.562 1.00 0.00 C ATOM 1434 O GLU A 94 7.871 -5.168 -6.858 1.00 0.00 O ATOM 1435 CB GLU A 94 6.650 -8.088 -7.530 1.00 0.00 C ATOM 1436 CG GLU A 94 6.621 -7.137 -8.729 1.00 0.00 C ATOM 1437 CD GLU A 94 6.052 -7.833 -9.967 1.00 0.00 C ATOM 1438 OE1 GLU A 94 5.054 -8.566 -9.798 1.00 0.00 O ATOM 1439 OE2 GLU A 94 6.629 -7.616 -11.055 1.00 0.00 O ATOM 0 H GLU A 94 5.299 -6.249 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 94 7.489 -8.095 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.337 -8.910 -7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.663 -8.526 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.017 -6.262 -8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.629 -6.780 -8.939 1.00 0.00 H new ATOM 1446 N GLY A 95 9.411 -6.780 -6.477 1.00 0.00 N ATOM 1447 CA GLY A 95 10.546 -5.912 -6.739 1.00 0.00 C ATOM 1448 C GLY A 95 10.760 -4.927 -5.588 1.00 0.00 C ATOM 1449 O GLY A 95 10.991 -5.336 -4.451 1.00 0.00 O ATOM 0 H GLY A 95 9.655 -7.739 -6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.444 -6.514 -6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.382 -5.363 -7.666 1.00 0.00 H new ATOM 1453 N GLU A 96 10.677 -3.648 -5.923 1.00 0.00 N ATOM 1454 CA GLU A 96 10.859 -2.601 -4.932 1.00 0.00 C ATOM 1455 C GLU A 96 9.873 -1.458 -5.181 1.00 0.00 C ATOM 1456 O GLU A 96 9.019 -1.550 -6.061 1.00 0.00 O ATOM 1457 CB GLU A 96 12.301 -2.091 -4.931 1.00 0.00 C ATOM 1458 CG GLU A 96 12.679 -1.513 -6.296 1.00 0.00 C ATOM 1459 CD GLU A 96 13.152 -0.063 -6.165 1.00 0.00 C ATOM 1460 OE1 GLU A 96 13.814 0.228 -5.145 1.00 0.00 O ATOM 1461 OE2 GLU A 96 12.842 0.720 -7.088 1.00 0.00 O ATOM 0 H GLU A 96 10.486 -3.313 -6.867 1.00 0.00 H new ATOM 0 HA GLU A 96 10.657 -3.021 -3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.420 -1.327 -4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.979 -2.906 -4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.467 -2.117 -6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.820 -1.560 -6.966 1.00 0.00 H new ATOM 1468 N ARG A 97 10.025 -0.405 -4.390 1.00 0.00 N ATOM 1469 CA ARG A 97 9.159 0.755 -4.513 1.00 0.00 C ATOM 1470 C ARG A 97 9.637 1.655 -5.654 1.00 0.00 C ATOM 1471 O ARG A 97 10.739 1.475 -6.171 1.00 0.00 O ATOM 1472 CB ARG A 97 9.131 1.562 -3.213 1.00 0.00 C ATOM 1473 CG ARG A 97 8.752 0.675 -2.026 1.00 0.00 C ATOM 1474 CD ARG A 97 8.250 1.517 -0.851 1.00 0.00 C ATOM 1475 NE ARG A 97 9.064 1.240 0.354 1.00 0.00 N ATOM 1476 CZ ARG A 97 8.979 1.938 1.495 1.00 0.00 C ATOM 1477 NH1 ARG A 97 8.116 2.958 1.593 1.00 0.00 N ATOM 1478 NH2 ARG A 97 9.757 1.616 2.537 1.00 0.00 N ATOM 0 H ARG A 97 10.735 -0.332 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 97 8.152 0.396 -4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 97 10.109 2.011 -3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.416 2.380 -3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.979 -0.032 -2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.617 0.089 -1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.306 2.576 -1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.202 1.291 -0.652 1.00 0.00 H new ATOM 0 HE ARG A 97 9.731 0.470 0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.524 3.203 0.799 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.051 3.489 2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.414 0.840 2.462 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.692 2.147 3.405 1.00 0.00 H new ATOM 1492 N THR A 98 8.786 2.605 -6.012 1.00 0.00 N ATOM 1493 CA THR A 98 9.108 3.533 -7.083 1.00 0.00 C ATOM 1494 C THR A 98 9.838 4.757 -6.525 1.00 0.00 C ATOM 1495 O THR A 98 10.274 4.753 -5.375 1.00 0.00 O ATOM 1496 CB THR A 98 7.809 3.882 -7.813 1.00 0.00 C ATOM 1497 OG1 THR A 98 6.878 4.134 -6.764 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.217 2.683 -8.557 1.00 0.00 C ATOM 0 H THR A 98 7.874 2.752 -5.580 1.00 0.00 H new ATOM 0 HA THR A 98 9.792 3.084 -7.803 1.00 0.00 H new ATOM 0 HB THR A 98 7.995 4.692 -8.518 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.421 3.301 -6.525 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.297 2.984 -9.058 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.933 2.325 -9.297 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.999 1.885 -7.847 1.00 0.00 H new