USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 714 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 49 HIS : no HD1:sc= -2.48 K(o=-1.2,f=-2.8!) USER MOD Set 1.2: A 70 THR OG1 : rot 84:sc= 1.32 USER MOD Set 2.1: A 46 SER OG : rot -130:sc= 0.274 USER MOD Set 2.2: A 65 ASN : amide:sc= 0.658 K(o=0.93,f=-4.5!) USER MOD Set 3.1: A 21 TYR OH : rot -147:sc= 1.07 USER MOD Set 3.2: A 28 ASN : amide:sc= 2.13 K(o=3.2,f=-2.9!) USER MOD Single : A 7 THR OG1 : rot 24:sc= 0.0812 USER MOD Single : A 8 SER OG : rot 92:sc= 1.07 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 27 SER OG : rot 144:sc= 0.736 USER MOD Single : A 34 GLN : amide:sc= -0.0243 K(o=-0.024,f=-1.2) USER MOD Single : A 37 GLN : amide:sc= -0.0561 K(o=-0.056,f=-0.65) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0505 K(o=-0.051,f=-0.67) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 73 ASN : amide:sc= 2.3 K(o=2.3,f=-8.1!) USER MOD Single : A 74 ASN : amide:sc= -0.067 X(o=-0.067,f=-0.41) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 81 GLN : amide:sc=-0.00167 K(o=-0.0017,f=-0.94) USER MOD Single : A 92 HIS : no HE2:sc= 1.03 K(o=1,f=-5!) USER MOD Single : A 93 SER OG : rot -150:sc= 0 USER MOD Single : A 99 MET CE :methyl 161:sc= -0.0696 (180deg=-0.308) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -4.632 -8.185 3.206 1.00 41.33 N ATOM 63 CA THR A 7 -4.022 -6.942 3.555 1.00 13.30 C ATOM 64 C THR A 7 -4.119 -6.004 2.362 1.00 62.14 C ATOM 65 O THR A 7 -3.569 -6.287 1.290 1.00 63.24 O ATOM 66 CB THR A 7 -2.543 -7.144 3.947 1.00 52.23 C ATOM 67 OG1 THR A 7 -2.474 -8.041 5.062 1.00 63.42 O ATOM 68 CG2 THR A 7 -1.875 -5.818 4.311 1.00 0.42 C ATOM 0 HA THR A 7 -4.540 -6.516 4.414 1.00 13.30 H new ATOM 0 HB THR A 7 -2.012 -7.562 3.092 1.00 52.23 H new ATOM 0 HG1 THR A 7 -3.278 -8.601 5.082 1.00 63.42 H new ATOM 0 HG21 THR A 7 -0.835 -5.997 4.582 1.00 0.42 H new ATOM 0 HG22 THR A 7 -1.916 -5.143 3.456 1.00 0.42 H new ATOM 0 HG23 THR A 7 -2.397 -5.367 5.155 1.00 0.42 H new ATOM 76 N SER A 8 -4.832 -4.941 2.523 1.00 40.02 N ATOM 77 CA SER A 8 -4.943 -3.948 1.491 1.00 33.24 C ATOM 78 C SER A 8 -4.521 -2.619 2.089 1.00 34.41 C ATOM 79 O SER A 8 -5.159 -2.129 2.998 1.00 72.33 O ATOM 80 CB SER A 8 -6.394 -3.878 1.016 1.00 24.00 C ATOM 81 OG SER A 8 -6.925 -5.186 0.833 1.00 62.00 O ATOM 0 H SER A 8 -5.357 -4.729 3.371 1.00 40.02 H new ATOM 0 HA SER A 8 -4.311 -4.193 0.638 1.00 33.24 H new ATOM 0 HB2 SER A 8 -6.995 -3.334 1.745 1.00 24.00 H new ATOM 0 HB3 SER A 8 -6.449 -3.323 0.080 1.00 24.00 H new ATOM 0 HG SER A 8 -7.367 -5.478 1.657 1.00 62.00 H new ATOM 87 N VAL A 9 -3.450 -2.049 1.617 1.00 41.32 N ATOM 88 CA VAL A 9 -2.987 -0.812 2.202 1.00 24.31 C ATOM 89 C VAL A 9 -3.669 0.330 1.494 1.00 14.24 C ATOM 90 O VAL A 9 -3.760 0.357 0.266 1.00 74.30 O ATOM 91 CB VAL A 9 -1.451 -0.668 2.145 1.00 25.43 C ATOM 92 CG1 VAL A 9 -0.993 0.555 2.929 1.00 14.00 C ATOM 93 CG2 VAL A 9 -0.778 -1.915 2.683 1.00 62.24 C ATOM 0 H VAL A 9 -2.887 -2.407 0.845 1.00 41.32 H new ATOM 0 HA VAL A 9 -3.245 -0.806 3.261 1.00 24.31 H new ATOM 0 HB VAL A 9 -1.163 -0.538 1.102 1.00 25.43 H new ATOM 0 HG11 VAL A 9 0.093 0.636 2.875 1.00 14.00 H new ATOM 0 HG12 VAL A 9 -1.446 1.451 2.503 1.00 14.00 H new ATOM 0 HG13 VAL A 9 -1.298 0.455 3.971 1.00 14.00 H new ATOM 0 HG21 VAL A 9 0.304 -1.794 2.634 1.00 62.24 H new ATOM 0 HG22 VAL A 9 -1.079 -2.073 3.718 1.00 62.24 H new ATOM 0 HG23 VAL A 9 -1.074 -2.776 2.083 1.00 62.24 H new ATOM 103 N THR A 10 -4.198 1.210 2.253 1.00 12.42 N ATOM 104 CA THR A 10 -4.971 2.288 1.767 1.00 74.43 C ATOM 105 C THR A 10 -4.585 3.552 2.522 1.00 52.33 C ATOM 106 O THR A 10 -4.451 3.528 3.738 1.00 21.23 O ATOM 107 CB THR A 10 -6.455 1.945 2.020 1.00 4.40 C ATOM 108 OG1 THR A 10 -6.741 0.663 1.440 1.00 71.12 O ATOM 109 CG2 THR A 10 -7.377 2.969 1.419 1.00 0.43 C ATOM 0 H THR A 10 -4.102 1.201 3.268 1.00 12.42 H new ATOM 0 HA THR A 10 -4.801 2.452 0.703 1.00 74.43 H new ATOM 0 HB THR A 10 -6.620 1.933 3.097 1.00 4.40 H new ATOM 0 HG1 THR A 10 -7.681 0.435 1.597 1.00 71.12 H new ATOM 0 HG21 THR A 10 -8.411 2.690 1.620 1.00 0.43 H new ATOM 0 HG22 THR A 10 -7.173 3.945 1.859 1.00 0.43 H new ATOM 0 HG23 THR A 10 -7.216 3.016 0.342 1.00 0.43 H new ATOM 117 N LEU A 11 -4.361 4.622 1.818 1.00 50.34 N ATOM 118 CA LEU A 11 -4.042 5.854 2.465 1.00 60.45 C ATOM 119 C LEU A 11 -5.311 6.660 2.683 1.00 31.45 C ATOM 120 O LEU A 11 -6.195 6.700 1.814 1.00 10.13 O ATOM 121 CB LEU A 11 -2.897 6.617 1.741 1.00 12.30 C ATOM 122 CG LEU A 11 -3.066 7.006 0.253 1.00 41.13 C ATOM 123 CD1 LEU A 11 -3.965 8.221 0.068 1.00 4.34 C ATOM 124 CD2 LEU A 11 -1.713 7.250 -0.387 1.00 25.11 C ATOM 0 H LEU A 11 -4.394 4.664 0.799 1.00 50.34 H new ATOM 0 HA LEU A 11 -3.631 5.652 3.454 1.00 60.45 H new ATOM 0 HB2 LEU A 11 -2.711 7.534 2.300 1.00 12.30 H new ATOM 0 HB3 LEU A 11 -1.997 6.007 1.820 1.00 12.30 H new ATOM 0 HG LEU A 11 -3.554 6.167 -0.243 1.00 41.13 H new ATOM 0 HD11 LEU A 11 -4.051 8.452 -0.994 1.00 4.34 H new ATOM 0 HD12 LEU A 11 -4.954 8.007 0.474 1.00 4.34 H new ATOM 0 HD13 LEU A 11 -3.535 9.075 0.592 1.00 4.34 H new ATOM 0 HD21 LEU A 11 -1.849 7.523 -1.434 1.00 25.11 H new ATOM 0 HD22 LEU A 11 -1.204 8.060 0.136 1.00 25.11 H new ATOM 0 HD23 LEU A 11 -1.112 6.343 -0.324 1.00 25.11 H new ATOM 136 N GLN A 12 -5.425 7.229 3.845 1.00 32.23 N ATOM 137 CA GLN A 12 -6.603 7.943 4.260 1.00 62.31 C ATOM 138 C GLN A 12 -6.357 9.414 4.322 1.00 50.34 C ATOM 139 O GLN A 12 -5.425 9.882 4.986 1.00 71.15 O ATOM 140 CB GLN A 12 -7.068 7.465 5.612 1.00 25.00 C ATOM 141 CG GLN A 12 -8.320 8.169 6.107 1.00 74.34 C ATOM 142 CD GLN A 12 -8.825 7.606 7.393 1.00 3.30 C ATOM 143 OE1 GLN A 12 -8.432 8.040 8.479 1.00 42.12 O ATOM 144 NE2 GLN A 12 -9.707 6.663 7.283 1.00 25.22 N ATOM 0 H GLN A 12 -4.687 7.212 4.549 1.00 32.23 H new ATOM 0 HA GLN A 12 -7.375 7.746 3.517 1.00 62.31 H new ATOM 0 HB2 GLN A 12 -7.259 6.393 5.563 1.00 25.00 H new ATOM 0 HB3 GLN A 12 -6.267 7.614 6.336 1.00 25.00 H new ATOM 0 HG2 GLN A 12 -8.108 9.230 6.238 1.00 74.34 H new ATOM 0 HG3 GLN A 12 -9.100 8.091 5.349 1.00 74.34 H new ATOM 0 HE21 GLN A 12 -9.997 6.341 6.360 1.00 25.22 H new ATOM 0 HE22 GLN A 12 -10.111 6.243 8.120 1.00 25.22 H new ATOM 153 N LEU A 13 -7.226 10.115 3.703 1.00 52.12 N ATOM 154 CA LEU A 13 -7.172 11.539 3.589 1.00 1.13 C ATOM 155 C LEU A 13 -8.413 12.107 4.220 1.00 73.31 C ATOM 156 O LEU A 13 -9.505 11.595 3.988 1.00 44.30 O ATOM 157 CB LEU A 13 -7.138 11.898 2.101 1.00 20.23 C ATOM 158 CG LEU A 13 -7.380 13.359 1.734 1.00 55.45 C ATOM 159 CD1 LEU A 13 -6.280 14.256 2.245 1.00 14.53 C ATOM 160 CD2 LEU A 13 -7.566 13.502 0.245 1.00 63.54 C ATOM 0 H LEU A 13 -8.035 9.704 3.237 1.00 52.12 H new ATOM 0 HA LEU A 13 -6.289 11.942 4.085 1.00 1.13 H new ATOM 0 HB2 LEU A 13 -6.166 11.606 1.704 1.00 20.23 H new ATOM 0 HB3 LEU A 13 -7.886 11.292 1.589 1.00 20.23 H new ATOM 0 HG LEU A 13 -8.298 13.681 2.225 1.00 55.45 H new ATOM 0 HD11 LEU A 13 -6.491 15.287 1.962 1.00 14.53 H new ATOM 0 HD12 LEU A 13 -6.225 14.181 3.331 1.00 14.53 H new ATOM 0 HD13 LEU A 13 -5.329 13.948 1.811 1.00 14.53 H new ATOM 0 HD21 LEU A 13 -7.738 14.550 -0.001 1.00 63.54 H new ATOM 0 HD22 LEU A 13 -6.671 13.150 -0.269 1.00 63.54 H new ATOM 0 HD23 LEU A 13 -8.424 12.909 -0.073 1.00 63.54 H new ATOM 172 N ASP A 14 -8.284 13.145 4.993 1.00 53.40 N ATOM 173 CA ASP A 14 -9.446 13.727 5.578 1.00 21.34 C ATOM 174 C ASP A 14 -9.912 14.798 4.690 1.00 63.15 C ATOM 175 O ASP A 14 -9.374 15.902 4.646 1.00 54.21 O ATOM 176 CB ASP A 14 -9.204 14.234 6.988 1.00 4.42 C ATOM 177 CG ASP A 14 -10.434 14.899 7.551 1.00 52.22 C ATOM 178 OD1 ASP A 14 -11.476 14.231 7.672 1.00 1.11 O ATOM 179 OD2 ASP A 14 -10.395 16.128 7.850 1.00 53.14 O ATOM 0 H ASP A 14 -7.400 13.597 5.228 1.00 53.40 H new ATOM 0 HA ASP A 14 -10.214 12.960 5.679 1.00 21.34 H new ATOM 0 HB2 ASP A 14 -8.911 13.403 7.630 1.00 4.42 H new ATOM 0 HB3 ASP A 14 -8.375 14.942 6.985 1.00 4.42 H new ATOM 184 N ASP A 15 -10.871 14.441 3.936 1.00 55.22 N ATOM 185 CA ASP A 15 -11.491 15.311 3.030 1.00 62.21 C ATOM 186 C ASP A 15 -12.975 15.150 3.171 1.00 12.20 C ATOM 187 O ASP A 15 -13.557 14.177 2.681 1.00 62.44 O ATOM 188 CB ASP A 15 -11.031 15.018 1.607 1.00 10.10 C ATOM 189 CG ASP A 15 -11.747 15.832 0.567 1.00 61.51 C ATOM 190 OD1 ASP A 15 -11.320 16.965 0.293 1.00 44.32 O ATOM 191 OD2 ASP A 15 -12.740 15.342 -0.011 1.00 64.20 O ATOM 0 H ASP A 15 -11.260 13.498 3.933 1.00 55.22 H new ATOM 0 HA ASP A 15 -11.216 16.343 3.246 1.00 62.21 H new ATOM 0 HB2 ASP A 15 -9.960 15.209 1.533 1.00 10.10 H new ATOM 0 HB3 ASP A 15 -11.181 13.959 1.396 1.00 10.10 H new ATOM 196 N GLY A 16 -13.529 15.976 3.996 1.00 4.30 N ATOM 197 CA GLY A 16 -14.962 16.023 4.219 1.00 54.14 C ATOM 198 C GLY A 16 -15.361 15.057 5.290 1.00 23.31 C ATOM 199 O GLY A 16 -15.879 15.437 6.340 1.00 21.30 O ATOM 0 H GLY A 16 -13.003 16.653 4.549 1.00 4.30 H new ATOM 0 HA2 GLY A 16 -15.258 17.033 4.504 1.00 54.14 H new ATOM 0 HA3 GLY A 16 -15.487 15.786 3.294 1.00 54.14 H new ATOM 203 N SER A 17 -15.107 13.829 5.023 1.00 55.44 N ATOM 204 CA SER A 17 -15.360 12.763 5.929 1.00 13.31 C ATOM 205 C SER A 17 -14.172 11.815 5.953 1.00 71.40 C ATOM 206 O SER A 17 -13.778 11.309 7.006 1.00 21.55 O ATOM 207 CB SER A 17 -16.624 12.049 5.489 1.00 54.12 C ATOM 208 OG SER A 17 -16.603 11.839 4.074 1.00 3.20 O ATOM 0 H SER A 17 -14.703 13.524 4.137 1.00 55.44 H new ATOM 0 HA SER A 17 -15.500 13.145 6.940 1.00 13.31 H new ATOM 0 HB2 SER A 17 -16.709 11.093 6.005 1.00 54.12 H new ATOM 0 HB3 SER A 17 -17.499 12.639 5.764 1.00 54.12 H new ATOM 0 HG SER A 17 -17.422 11.376 3.800 1.00 3.20 H new ATOM 214 N GLY A 18 -13.580 11.609 4.791 1.00 20.34 N ATOM 215 CA GLY A 18 -12.491 10.720 4.679 1.00 42.02 C ATOM 216 C GLY A 18 -12.474 10.083 3.327 1.00 22.13 C ATOM 217 O GLY A 18 -13.451 9.469 2.914 1.00 62.32 O ATOM 0 H GLY A 18 -13.854 12.060 3.918 1.00 20.34 H new ATOM 0 HA2 GLY A 18 -11.557 11.256 4.847 1.00 42.02 H new ATOM 0 HA3 GLY A 18 -12.560 9.952 5.449 1.00 42.02 H new ATOM 221 N ARG A 19 -11.415 10.297 2.629 1.00 10.34 N ATOM 222 CA ARG A 19 -11.183 9.695 1.340 1.00 65.53 C ATOM 223 C ARG A 19 -10.160 8.632 1.526 1.00 64.22 C ATOM 224 O ARG A 19 -9.325 8.723 2.444 1.00 4.43 O ATOM 225 CB ARG A 19 -10.587 10.679 0.364 1.00 11.25 C ATOM 226 CG ARG A 19 -11.413 11.887 0.058 1.00 64.33 C ATOM 227 CD ARG A 19 -12.616 11.599 -0.798 1.00 75.34 C ATOM 228 NE ARG A 19 -13.254 12.857 -1.206 1.00 1.21 N ATOM 229 CZ ARG A 19 -14.075 13.003 -2.247 1.00 13.22 C ATOM 230 NH1 ARG A 19 -14.429 11.949 -2.990 1.00 11.32 N ATOM 231 NH2 ARG A 19 -14.536 14.208 -2.550 1.00 3.31 N ATOM 0 H ARG A 19 -10.660 10.910 2.936 1.00 10.34 H new ATOM 0 HA ARG A 19 -12.135 9.329 0.956 1.00 65.53 H new ATOM 0 HB2 ARG A 19 -9.626 11.011 0.756 1.00 11.25 H new ATOM 0 HB3 ARG A 19 -10.386 10.156 -0.571 1.00 11.25 H new ATOM 0 HG2 ARG A 19 -11.744 12.336 0.994 1.00 64.33 H new ATOM 0 HG3 ARG A 19 -10.788 12.625 -0.446 1.00 64.33 H new ATOM 0 HD2 ARG A 19 -12.318 11.030 -1.679 1.00 75.34 H new ATOM 0 HD3 ARG A 19 -13.326 10.983 -0.246 1.00 75.34 H new ATOM 0 HE ARG A 19 -13.053 13.687 -0.648 1.00 1.21 H new ATOM 0 HH11 ARG A 19 -14.071 11.021 -2.763 1.00 11.32 H new ATOM 0 HH12 ARG A 19 -15.058 12.073 -3.784 1.00 11.32 H new ATOM 0 HH21 ARG A 19 -14.262 15.015 -1.989 1.00 3.31 H new ATOM 0 HH22 ARG A 19 -15.164 14.329 -3.344 1.00 3.31 H new ATOM 245 N THR A 20 -10.174 7.668 0.679 1.00 3.45 N ATOM 246 CA THR A 20 -9.222 6.608 0.757 1.00 70.24 C ATOM 247 C THR A 20 -8.713 6.243 -0.623 1.00 2.20 C ATOM 248 O THR A 20 -9.490 6.135 -1.575 1.00 22.50 O ATOM 249 CB THR A 20 -9.815 5.353 1.444 1.00 11.32 C ATOM 250 OG1 THR A 20 -10.991 4.910 0.759 1.00 60.12 O ATOM 251 CG2 THR A 20 -10.142 5.616 2.904 1.00 1.32 C ATOM 0 H THR A 20 -10.842 7.586 -0.088 1.00 3.45 H new ATOM 0 HA THR A 20 -8.391 6.967 1.364 1.00 70.24 H new ATOM 0 HB THR A 20 -9.057 4.571 1.399 1.00 11.32 H new ATOM 0 HG1 THR A 20 -11.350 4.116 1.206 1.00 60.12 H new ATOM 0 HG21 THR A 20 -10.556 4.713 3.353 1.00 1.32 H new ATOM 0 HG22 THR A 20 -9.234 5.901 3.435 1.00 1.32 H new ATOM 0 HG23 THR A 20 -10.872 6.423 2.974 1.00 1.32 H new ATOM 259 N TYR A 21 -7.429 6.102 -0.735 1.00 0.25 N ATOM 260 CA TYR A 21 -6.811 5.655 -1.953 1.00 34.44 C ATOM 261 C TYR A 21 -6.115 4.367 -1.664 1.00 60.33 C ATOM 262 O TYR A 21 -5.183 4.329 -0.841 1.00 74.01 O ATOM 263 CB TYR A 21 -5.825 6.701 -2.511 1.00 25.21 C ATOM 264 CG TYR A 21 -4.905 6.195 -3.630 1.00 64.55 C ATOM 265 CD1 TYR A 21 -5.364 6.013 -4.930 1.00 65.32 C ATOM 266 CD2 TYR A 21 -3.565 5.909 -3.368 1.00 33.12 C ATOM 267 CE1 TYR A 21 -4.513 5.558 -5.929 1.00 20.13 C ATOM 268 CE2 TYR A 21 -2.716 5.457 -4.356 1.00 43.02 C ATOM 269 CZ TYR A 21 -3.189 5.281 -5.630 1.00 31.44 C ATOM 270 OH TYR A 21 -2.328 4.831 -6.623 1.00 1.12 O ATOM 0 H TYR A 21 -6.771 6.294 0.020 1.00 0.25 H new ATOM 0 HA TYR A 21 -7.573 5.513 -2.719 1.00 34.44 H new ATOM 0 HB2 TYR A 21 -6.395 7.551 -2.887 1.00 25.21 H new ATOM 0 HB3 TYR A 21 -5.207 7.069 -1.692 1.00 25.21 H new ATOM 0 HD1 TYR A 21 -6.396 6.228 -5.166 1.00 65.32 H new ATOM 0 HD2 TYR A 21 -3.183 6.045 -2.367 1.00 33.12 H new ATOM 0 HE1 TYR A 21 -4.882 5.421 -6.935 1.00 20.13 H new ATOM 0 HE2 TYR A 21 -1.683 5.243 -4.127 1.00 43.02 H new ATOM 0 HH TYR A 21 -1.673 4.215 -6.233 1.00 1.12 H new ATOM 280 N GLN A 22 -6.581 3.317 -2.262 1.00 3.42 N ATOM 281 CA GLN A 22 -5.976 2.042 -2.068 1.00 45.03 C ATOM 282 C GLN A 22 -4.715 1.992 -2.889 1.00 15.20 C ATOM 283 O GLN A 22 -4.696 2.449 -4.037 1.00 61.45 O ATOM 284 CB GLN A 22 -6.925 0.910 -2.453 1.00 40.15 C ATOM 285 CG GLN A 22 -6.381 -0.473 -2.125 1.00 45.52 C ATOM 286 CD GLN A 22 -7.328 -1.583 -2.501 1.00 52.13 C ATOM 287 OE1 GLN A 22 -8.545 -1.412 -2.498 1.00 64.55 O ATOM 288 NE2 GLN A 22 -6.788 -2.724 -2.828 1.00 51.52 N ATOM 0 H GLN A 22 -7.383 3.320 -2.892 1.00 3.42 H new ATOM 0 HA GLN A 22 -5.740 1.906 -1.013 1.00 45.03 H new ATOM 0 HB2 GLN A 22 -7.875 1.051 -1.937 1.00 40.15 H new ATOM 0 HB3 GLN A 22 -7.132 0.967 -3.522 1.00 40.15 H new ATOM 0 HG2 GLN A 22 -5.435 -0.618 -2.646 1.00 45.52 H new ATOM 0 HG3 GLN A 22 -6.169 -0.530 -1.057 1.00 45.52 H new ATOM 0 HE21 GLN A 22 -5.773 -2.829 -2.819 1.00 51.52 H new ATOM 0 HE22 GLN A 22 -7.380 -3.511 -3.093 1.00 51.52 H new ATOM 297 N LEU A 23 -3.667 1.493 -2.307 1.00 20.24 N ATOM 298 CA LEU A 23 -2.423 1.417 -2.990 1.00 50.14 C ATOM 299 C LEU A 23 -2.469 0.332 -4.020 1.00 2.33 C ATOM 300 O LEU A 23 -2.895 -0.799 -3.739 1.00 63.21 O ATOM 301 CB LEU A 23 -1.278 1.177 -2.015 1.00 42.13 C ATOM 302 CG LEU A 23 -1.026 2.279 -0.987 1.00 21.15 C ATOM 303 CD1 LEU A 23 0.119 1.892 -0.099 1.00 22.34 C ATOM 304 CD2 LEU A 23 -0.727 3.606 -1.665 1.00 72.34 C ATOM 0 H LEU A 23 -3.655 1.131 -1.353 1.00 20.24 H new ATOM 0 HA LEU A 23 -2.246 2.370 -3.488 1.00 50.14 H new ATOM 0 HB2 LEU A 23 -1.472 0.247 -1.480 1.00 42.13 H new ATOM 0 HB3 LEU A 23 -0.364 1.029 -2.590 1.00 42.13 H new ATOM 0 HG LEU A 23 -1.929 2.400 -0.389 1.00 21.15 H new ATOM 0 HD11 LEU A 23 0.295 2.681 0.632 1.00 22.34 H new ATOM 0 HD12 LEU A 23 -0.120 0.963 0.419 1.00 22.34 H new ATOM 0 HD13 LEU A 23 1.016 1.750 -0.702 1.00 22.34 H new ATOM 0 HD21 LEU A 23 -0.552 4.370 -0.908 1.00 72.34 H new ATOM 0 HD22 LEU A 23 0.161 3.504 -2.289 1.00 72.34 H new ATOM 0 HD23 LEU A 23 -1.575 3.897 -2.285 1.00 72.34 H new ATOM 316 N ARG A 24 -2.085 0.675 -5.209 1.00 43.02 N ATOM 317 CA ARG A 24 -2.011 -0.272 -6.270 1.00 41.14 C ATOM 318 C ARG A 24 -0.732 -1.041 -6.091 1.00 4.41 C ATOM 319 O ARG A 24 0.222 -0.521 -5.504 1.00 45.31 O ATOM 320 CB ARG A 24 -2.031 0.437 -7.626 1.00 3.51 C ATOM 321 CG ARG A 24 -3.299 1.249 -7.898 1.00 73.32 C ATOM 322 CD ARG A 24 -4.547 0.369 -7.898 1.00 64.12 C ATOM 323 NE ARG A 24 -4.465 -0.700 -8.910 1.00 3.04 N ATOM 324 CZ ARG A 24 -5.456 -1.543 -9.247 1.00 42.22 C ATOM 325 NH1 ARG A 24 -6.635 -1.490 -8.635 1.00 62.43 N ATOM 326 NH2 ARG A 24 -5.245 -2.457 -10.185 1.00 0.12 N ATOM 0 H ARG A 24 -1.814 1.623 -5.469 1.00 43.02 H new ATOM 0 HA ARG A 24 -2.868 -0.945 -6.246 1.00 41.14 H new ATOM 0 HB2 ARG A 24 -1.169 1.101 -7.687 1.00 3.51 H new ATOM 0 HB3 ARG A 24 -1.916 -0.308 -8.413 1.00 3.51 H new ATOM 0 HG2 ARG A 24 -3.402 2.026 -7.141 1.00 73.32 H new ATOM 0 HG3 ARG A 24 -3.209 1.752 -8.861 1.00 73.32 H new ATOM 0 HD2 ARG A 24 -4.679 -0.075 -6.911 1.00 64.12 H new ATOM 0 HD3 ARG A 24 -5.426 0.985 -8.090 1.00 64.12 H new ATOM 0 HE ARG A 24 -3.576 -0.810 -9.398 1.00 3.04 H new ATOM 0 HH11 ARG A 24 -6.797 -0.803 -7.899 1.00 62.43 H new ATOM 0 HH12 ARG A 24 -7.378 -2.136 -8.902 1.00 62.43 H new ATOM 0 HH21 ARG A 24 -4.336 -2.516 -10.644 1.00 0.12 H new ATOM 0 HH22 ARG A 24 -5.992 -3.101 -10.447 1.00 0.12 H new ATOM 340 N GLU A 25 -0.707 -2.253 -6.544 1.00 63.34 N ATOM 341 CA GLU A 25 0.467 -3.067 -6.391 1.00 13.40 C ATOM 342 C GLU A 25 1.569 -2.656 -7.363 1.00 70.45 C ATOM 343 O GLU A 25 1.443 -2.767 -8.595 1.00 43.10 O ATOM 344 CB GLU A 25 0.117 -4.563 -6.361 1.00 64.12 C ATOM 345 CG GLU A 25 -0.918 -4.999 -7.381 1.00 42.41 C ATOM 346 CD GLU A 25 -1.521 -6.331 -7.028 1.00 24.54 C ATOM 347 OE1 GLU A 25 -2.384 -6.379 -6.122 1.00 23.20 O ATOM 348 OE2 GLU A 25 -1.172 -7.358 -7.660 1.00 0.11 O ATOM 0 H GLU A 25 -1.484 -2.706 -7.024 1.00 63.34 H new ATOM 0 HA GLU A 25 0.904 -2.881 -5.410 1.00 13.40 H new ATOM 0 HB2 GLU A 25 1.029 -5.138 -6.522 1.00 64.12 H new ATOM 0 HB3 GLU A 25 -0.247 -4.816 -5.365 1.00 64.12 H new ATOM 0 HG2 GLU A 25 -1.706 -4.248 -7.444 1.00 42.41 H new ATOM 0 HG3 GLU A 25 -0.455 -5.059 -8.366 1.00 42.41 H new ATOM 355 N GLY A 26 2.610 -2.153 -6.775 1.00 11.32 N ATOM 356 CA GLY A 26 3.718 -1.545 -7.436 1.00 72.42 C ATOM 357 C GLY A 26 4.118 -0.370 -6.596 1.00 52.44 C ATOM 358 O GLY A 26 3.659 -0.272 -5.444 1.00 12.43 O ATOM 0 H GLY A 26 2.713 -2.157 -5.760 1.00 11.32 H new ATOM 0 HA2 GLY A 26 4.544 -2.249 -7.538 1.00 72.42 H new ATOM 0 HA3 GLY A 26 3.444 -1.228 -8.442 1.00 72.42 H new ATOM 362 N SER A 27 4.929 0.525 -7.085 1.00 70.33 N ATOM 363 CA SER A 27 5.236 1.648 -6.267 1.00 14.22 C ATOM 364 C SER A 27 4.370 2.837 -6.627 1.00 41.02 C ATOM 365 O SER A 27 4.352 3.309 -7.772 1.00 43.15 O ATOM 366 CB SER A 27 6.740 1.961 -6.198 1.00 4.41 C ATOM 367 OG SER A 27 7.308 2.342 -7.446 1.00 12.42 O ATOM 0 H SER A 27 5.369 0.499 -8.005 1.00 70.33 H new ATOM 0 HA SER A 27 4.982 1.382 -5.241 1.00 14.22 H new ATOM 0 HB2 SER A 27 6.902 2.762 -5.477 1.00 4.41 H new ATOM 0 HB3 SER A 27 7.267 1.084 -5.823 1.00 4.41 H new ATOM 0 HG SER A 27 7.996 3.024 -7.298 1.00 12.42 H new ATOM 373 N ASN A 28 3.613 3.279 -5.660 1.00 43.41 N ATOM 374 CA ASN A 28 2.711 4.382 -5.832 1.00 32.54 C ATOM 375 C ASN A 28 3.478 5.620 -5.539 1.00 74.01 C ATOM 376 O ASN A 28 3.826 5.888 -4.397 1.00 73.22 O ATOM 377 CB ASN A 28 1.514 4.258 -4.868 1.00 44.51 C ATOM 378 CG ASN A 28 0.676 3.012 -5.114 1.00 53.41 C ATOM 379 OD1 ASN A 28 -0.324 3.042 -5.844 1.00 51.12 O ATOM 380 ND2 ASN A 28 1.078 1.915 -4.523 1.00 60.24 N ATOM 0 H ASN A 28 3.606 2.879 -4.722 1.00 43.41 H new ATOM 0 HA ASN A 28 2.314 4.399 -6.847 1.00 32.54 H new ATOM 0 HB2 ASN A 28 1.881 4.245 -3.842 1.00 44.51 H new ATOM 0 HB3 ASN A 28 0.881 5.140 -4.969 1.00 44.51 H new ATOM 0 HD21 ASN A 28 0.562 1.045 -4.657 1.00 60.24 H new ATOM 0 HD22 ASN A 28 1.907 1.930 -3.929 1.00 60.24 H new ATOM 387 N ILE A 29 3.751 6.350 -6.559 1.00 71.41 N ATOM 388 CA ILE A 29 4.559 7.530 -6.468 1.00 53.35 C ATOM 389 C ILE A 29 3.669 8.724 -6.220 1.00 74.54 C ATOM 390 O ILE A 29 2.829 9.042 -7.040 1.00 12.50 O ATOM 391 CB ILE A 29 5.329 7.724 -7.784 1.00 73.30 C ATOM 392 CG1 ILE A 29 6.106 6.446 -8.127 1.00 54.41 C ATOM 393 CG2 ILE A 29 6.276 8.908 -7.672 1.00 54.32 C ATOM 394 CD1 ILE A 29 6.716 6.450 -9.503 1.00 20.12 C ATOM 0 H ILE A 29 3.417 6.148 -7.501 1.00 71.41 H new ATOM 0 HA ILE A 29 5.268 7.428 -5.647 1.00 53.35 H new ATOM 0 HB ILE A 29 4.617 7.928 -8.584 1.00 73.30 H new ATOM 0 HG12 ILE A 29 6.897 6.306 -7.391 1.00 54.41 H new ATOM 0 HG13 ILE A 29 5.435 5.591 -8.041 1.00 54.41 H new ATOM 0 HG21 ILE A 29 6.815 9.033 -8.611 1.00 54.32 H new ATOM 0 HG22 ILE A 29 5.705 9.811 -7.458 1.00 54.32 H new ATOM 0 HG23 ILE A 29 6.988 8.729 -6.867 1.00 54.32 H new ATOM 0 HD11 ILE A 29 7.247 5.513 -9.668 1.00 20.12 H new ATOM 0 HD12 ILE A 29 5.929 6.557 -10.250 1.00 20.12 H new ATOM 0 HD13 ILE A 29 7.414 7.283 -9.589 1.00 20.12 H new ATOM 406 N ILE A 30 3.843 9.340 -5.109 1.00 12.13 N ATOM 407 CA ILE A 30 3.052 10.461 -4.694 1.00 64.01 C ATOM 408 C ILE A 30 3.800 11.767 -4.975 1.00 4.45 C ATOM 409 O ILE A 30 5.001 11.908 -4.619 1.00 24.01 O ATOM 410 CB ILE A 30 2.721 10.351 -3.176 1.00 33.41 C ATOM 411 CG1 ILE A 30 1.930 9.059 -2.886 1.00 3.52 C ATOM 412 CG2 ILE A 30 1.986 11.581 -2.673 1.00 13.42 C ATOM 413 CD1 ILE A 30 1.618 8.832 -1.417 1.00 22.51 C ATOM 0 H ILE A 30 4.561 9.076 -4.434 1.00 12.13 H new ATOM 0 HA ILE A 30 2.120 10.461 -5.259 1.00 64.01 H new ATOM 0 HB ILE A 30 3.663 10.299 -2.629 1.00 33.41 H new ATOM 0 HG12 ILE A 30 0.994 9.087 -3.444 1.00 3.52 H new ATOM 0 HG13 ILE A 30 2.498 8.208 -3.260 1.00 3.52 H new ATOM 0 HG21 ILE A 30 1.772 11.468 -1.610 1.00 13.42 H new ATOM 0 HG22 ILE A 30 2.607 12.464 -2.826 1.00 13.42 H new ATOM 0 HG23 ILE A 30 1.051 11.696 -3.221 1.00 13.42 H new ATOM 0 HD11 ILE A 30 1.060 7.902 -1.303 1.00 22.51 H new ATOM 0 HD12 ILE A 30 2.549 8.769 -0.853 1.00 22.51 H new ATOM 0 HD13 ILE A 30 1.021 9.662 -1.039 1.00 22.51 H new ATOM 425 N GLY A 31 3.114 12.678 -5.651 1.00 1.42 N ATOM 426 CA GLY A 31 3.641 13.983 -5.938 1.00 54.04 C ATOM 427 C GLY A 31 2.951 14.593 -7.106 1.00 23.23 C ATOM 428 O GLY A 31 1.790 14.268 -7.383 1.00 2.35 O ATOM 0 H GLY A 31 2.173 12.521 -6.013 1.00 1.42 H new ATOM 0 HA2 GLY A 31 3.524 14.626 -5.066 1.00 54.04 H new ATOM 0 HA3 GLY A 31 4.710 13.911 -6.140 1.00 54.04 H new ATOM 432 N ARG A 32 3.602 15.505 -7.774 1.00 24.32 N ATOM 433 CA ARG A 32 3.026 16.089 -8.952 1.00 41.14 C ATOM 434 C ARG A 32 3.976 16.034 -10.108 1.00 5.50 C ATOM 435 O ARG A 32 4.964 16.779 -10.170 1.00 63.04 O ATOM 436 CB ARG A 32 2.550 17.525 -8.731 1.00 64.34 C ATOM 437 CG ARG A 32 1.337 17.649 -7.842 1.00 24.31 C ATOM 438 CD ARG A 32 0.746 19.046 -7.953 1.00 44.40 C ATOM 439 NE ARG A 32 -0.643 19.091 -7.515 1.00 32.11 N ATOM 440 CZ ARG A 32 -1.497 20.087 -7.766 1.00 14.25 C ATOM 441 NH1 ARG A 32 -1.054 21.244 -8.238 1.00 22.10 N ATOM 442 NH2 ARG A 32 -2.791 19.924 -7.508 1.00 32.14 N ATOM 0 H ARG A 32 4.526 15.858 -7.524 1.00 24.32 H new ATOM 0 HA ARG A 32 2.147 15.488 -9.186 1.00 41.14 H new ATOM 0 HB2 ARG A 32 3.365 18.102 -8.295 1.00 64.34 H new ATOM 0 HB3 ARG A 32 2.324 17.973 -9.699 1.00 64.34 H new ATOM 0 HG2 ARG A 32 0.591 16.907 -8.126 1.00 24.31 H new ATOM 0 HG3 ARG A 32 1.613 17.444 -6.808 1.00 24.31 H new ATOM 0 HD2 ARG A 32 1.337 19.738 -7.353 1.00 44.40 H new ATOM 0 HD3 ARG A 32 0.811 19.385 -8.987 1.00 44.40 H new ATOM 0 HE ARG A 32 -0.991 18.299 -6.974 1.00 32.11 H new ATOM 0 HH11 ARG A 32 -0.058 21.376 -8.411 1.00 22.10 H new ATOM 0 HH12 ARG A 32 -1.710 22.002 -8.428 1.00 22.10 H new ATOM 0 HH21 ARG A 32 -3.127 19.042 -7.121 1.00 32.14 H new ATOM 0 HH22 ARG A 32 -3.448 20.681 -7.697 1.00 32.14 H new ATOM 456 N GLY A 33 3.683 15.153 -11.006 1.00 13.24 N ATOM 457 CA GLY A 33 4.424 15.009 -12.202 1.00 14.53 C ATOM 458 C GLY A 33 3.888 13.854 -12.964 1.00 65.42 C ATOM 459 O GLY A 33 3.130 13.071 -12.399 1.00 51.24 O ATOM 0 H GLY A 33 2.903 14.501 -10.921 1.00 13.24 H new ATOM 0 HA2 GLY A 33 4.356 15.918 -12.799 1.00 14.53 H new ATOM 0 HA3 GLY A 33 5.479 14.854 -11.975 1.00 14.53 H new ATOM 463 N GLN A 34 4.259 13.721 -14.218 1.00 45.21 N ATOM 464 CA GLN A 34 3.835 12.569 -15.012 1.00 72.14 C ATOM 465 C GLN A 34 4.626 11.347 -14.584 1.00 73.24 C ATOM 466 O GLN A 34 4.265 10.215 -14.880 1.00 40.32 O ATOM 467 CB GLN A 34 4.031 12.799 -16.513 1.00 32.02 C ATOM 468 CG GLN A 34 5.479 13.022 -16.929 1.00 54.14 C ATOM 469 CD GLN A 34 5.666 12.958 -18.423 1.00 13.54 C ATOM 470 OE1 GLN A 34 4.942 12.243 -19.125 1.00 11.21 O ATOM 471 NE2 GLN A 34 6.628 13.676 -18.923 1.00 31.42 N ATOM 0 H GLN A 34 4.850 14.387 -14.716 1.00 45.21 H new ATOM 0 HA GLN A 34 2.770 12.418 -14.836 1.00 72.14 H new ATOM 0 HB2 GLN A 34 3.638 11.939 -17.055 1.00 32.02 H new ATOM 0 HB3 GLN A 34 3.441 13.664 -16.816 1.00 32.02 H new ATOM 0 HG2 GLN A 34 5.813 13.994 -16.566 1.00 54.14 H new ATOM 0 HG3 GLN A 34 6.110 12.270 -16.454 1.00 54.14 H new ATOM 0 HE21 GLN A 34 7.204 14.254 -18.311 1.00 31.42 H new ATOM 0 HE22 GLN A 34 6.806 13.661 -19.927 1.00 31.42 H new ATOM 480 N ASP A 35 5.720 11.598 -13.893 1.00 34.45 N ATOM 481 CA ASP A 35 6.581 10.548 -13.385 1.00 12.21 C ATOM 482 C ASP A 35 5.984 9.966 -12.100 1.00 13.12 C ATOM 483 O ASP A 35 6.398 8.917 -11.622 1.00 10.23 O ATOM 484 CB ASP A 35 7.998 11.101 -13.148 1.00 52.25 C ATOM 485 CG ASP A 35 9.017 10.042 -12.766 1.00 12.53 C ATOM 486 OD1 ASP A 35 9.367 9.192 -13.617 1.00 73.24 O ATOM 487 OD2 ASP A 35 9.498 10.043 -11.630 1.00 64.14 O ATOM 0 H ASP A 35 6.038 12.540 -13.667 1.00 34.45 H new ATOM 0 HA ASP A 35 6.653 9.745 -14.118 1.00 12.21 H new ATOM 0 HB2 ASP A 35 8.336 11.606 -14.053 1.00 52.25 H new ATOM 0 HB3 ASP A 35 7.957 11.852 -12.359 1.00 52.25 H new ATOM 492 N ALA A 36 4.970 10.634 -11.578 1.00 54.04 N ATOM 493 CA ALA A 36 4.288 10.198 -10.379 1.00 13.24 C ATOM 494 C ALA A 36 3.073 9.335 -10.739 1.00 74.43 C ATOM 495 O ALA A 36 2.694 9.238 -11.909 1.00 22.55 O ATOM 496 CB ALA A 36 3.861 11.401 -9.543 1.00 72.04 C ATOM 0 H ALA A 36 4.598 11.496 -11.977 1.00 54.04 H new ATOM 0 HA ALA A 36 4.977 9.594 -9.788 1.00 13.24 H new ATOM 0 HB1 ALA A 36 3.349 11.056 -8.644 1.00 72.04 H new ATOM 0 HB2 ALA A 36 4.741 11.979 -9.260 1.00 72.04 H new ATOM 0 HB3 ALA A 36 3.187 12.029 -10.126 1.00 72.04 H new ATOM 502 N GLN A 37 2.490 8.699 -9.744 1.00 42.23 N ATOM 503 CA GLN A 37 1.318 7.871 -9.919 1.00 60.13 C ATOM 504 C GLN A 37 0.106 8.546 -9.291 1.00 1.32 C ATOM 505 O GLN A 37 -0.961 8.641 -9.896 1.00 22.34 O ATOM 506 CB GLN A 37 1.520 6.508 -9.251 1.00 71.31 C ATOM 507 CG GLN A 37 2.578 5.608 -9.882 1.00 14.10 C ATOM 508 CD GLN A 37 2.289 5.286 -11.337 1.00 50.13 C ATOM 509 OE1 GLN A 37 1.132 5.258 -11.765 1.00 63.42 O ATOM 510 NE2 GLN A 37 3.317 4.984 -12.084 1.00 42.43 N ATOM 0 H GLN A 37 2.822 8.744 -8.780 1.00 42.23 H new ATOM 0 HA GLN A 37 1.156 7.732 -10.988 1.00 60.13 H new ATOM 0 HB2 GLN A 37 1.786 6.672 -8.207 1.00 71.31 H new ATOM 0 HB3 GLN A 37 0.568 5.977 -9.257 1.00 71.31 H new ATOM 0 HG2 GLN A 37 3.551 6.094 -9.809 1.00 14.10 H new ATOM 0 HG3 GLN A 37 2.642 4.679 -9.315 1.00 14.10 H new ATOM 0 HE21 GLN A 37 4.259 5.019 -11.694 1.00 42.43 H new ATOM 0 HE22 GLN A 37 3.178 4.713 -13.058 1.00 42.43 H new ATOM 519 N PHE A 38 0.291 9.011 -8.083 1.00 33.42 N ATOM 520 CA PHE A 38 -0.740 9.638 -7.306 1.00 64.42 C ATOM 521 C PHE A 38 -0.455 11.124 -7.225 1.00 24.22 C ATOM 522 O PHE A 38 0.648 11.541 -6.850 1.00 34.01 O ATOM 523 CB PHE A 38 -0.786 8.993 -5.912 1.00 1.13 C ATOM 524 CG PHE A 38 -1.780 9.592 -4.952 1.00 33.43 C ATOM 525 CD1 PHE A 38 -3.132 9.322 -5.058 1.00 54.55 C ATOM 526 CD2 PHE A 38 -1.348 10.403 -3.926 1.00 45.51 C ATOM 527 CE1 PHE A 38 -4.028 9.857 -4.152 1.00 62.13 C ATOM 528 CE2 PHE A 38 -2.222 10.941 -3.025 1.00 21.01 C ATOM 529 CZ PHE A 38 -3.570 10.668 -3.130 1.00 30.23 C ATOM 0 H PHE A 38 1.189 8.961 -7.601 1.00 33.42 H new ATOM 0 HA PHE A 38 -1.715 9.500 -7.773 1.00 64.42 H new ATOM 0 HB2 PHE A 38 -1.013 7.933 -6.029 1.00 1.13 H new ATOM 0 HB3 PHE A 38 0.207 9.059 -5.467 1.00 1.13 H new ATOM 0 HD1 PHE A 38 -3.491 8.688 -5.855 1.00 54.55 H new ATOM 0 HD2 PHE A 38 -0.294 10.618 -3.832 1.00 45.51 H new ATOM 0 HE1 PHE A 38 -5.083 9.642 -4.242 1.00 62.13 H new ATOM 0 HE2 PHE A 38 -1.859 11.578 -2.232 1.00 21.01 H new ATOM 0 HZ PHE A 38 -4.265 11.086 -2.417 1.00 30.23 H new ATOM 539 N ARG A 39 -1.430 11.903 -7.577 1.00 72.44 N ATOM 540 CA ARG A 39 -1.290 13.334 -7.664 1.00 44.34 C ATOM 541 C ARG A 39 -1.770 13.967 -6.345 1.00 20.41 C ATOM 542 O ARG A 39 -2.865 13.656 -5.871 1.00 0.32 O ATOM 543 CB ARG A 39 -2.178 13.819 -8.819 1.00 74.13 C ATOM 544 CG ARG A 39 -1.815 15.164 -9.442 1.00 32.41 C ATOM 545 CD ARG A 39 -0.574 15.056 -10.320 1.00 52.41 C ATOM 546 NE ARG A 39 -0.292 16.313 -11.057 1.00 45.22 N ATOM 547 CZ ARG A 39 0.451 16.412 -12.186 1.00 34.25 C ATOM 548 NH1 ARG A 39 0.908 15.314 -12.797 1.00 13.54 N ATOM 549 NH2 ARG A 39 0.681 17.609 -12.726 1.00 34.40 N ATOM 0 H ARG A 39 -2.361 11.563 -7.817 1.00 72.44 H new ATOM 0 HA ARG A 39 -0.251 13.614 -7.837 1.00 44.34 H new ATOM 0 HB2 ARG A 39 -2.158 13.063 -9.604 1.00 74.13 H new ATOM 0 HB3 ARG A 39 -3.205 13.877 -8.458 1.00 74.13 H new ATOM 0 HG2 ARG A 39 -2.652 15.528 -10.037 1.00 32.41 H new ATOM 0 HG3 ARG A 39 -1.642 15.896 -8.654 1.00 32.41 H new ATOM 0 HD2 ARG A 39 0.285 14.801 -9.700 1.00 52.41 H new ATOM 0 HD3 ARG A 39 -0.706 14.242 -11.033 1.00 52.41 H new ATOM 0 HE ARG A 39 -0.691 17.174 -10.683 1.00 45.22 H new ATOM 0 HH11 ARG A 39 0.698 14.392 -12.414 1.00 13.54 H new ATOM 0 HH12 ARG A 39 1.466 15.398 -13.646 1.00 13.54 H new ATOM 0 HH21 ARG A 39 0.298 18.448 -12.289 1.00 34.40 H new ATOM 0 HH22 ARG A 39 1.240 17.686 -13.576 1.00 34.40 H new ATOM 563 N LEU A 40 -0.949 14.799 -5.732 1.00 1.32 N ATOM 564 CA LEU A 40 -1.376 15.521 -4.530 1.00 73.34 C ATOM 565 C LEU A 40 -2.150 16.773 -4.913 1.00 12.40 C ATOM 566 O LEU A 40 -1.894 17.347 -5.960 1.00 52.12 O ATOM 567 CB LEU A 40 -0.200 15.912 -3.618 1.00 42.10 C ATOM 568 CG LEU A 40 0.477 14.795 -2.831 1.00 50.32 C ATOM 569 CD1 LEU A 40 1.558 15.378 -1.939 1.00 25.32 C ATOM 570 CD2 LEU A 40 -0.541 14.046 -1.980 1.00 63.13 C ATOM 0 H LEU A 40 0.005 14.996 -6.034 1.00 1.32 H new ATOM 0 HA LEU A 40 -2.015 14.838 -3.970 1.00 73.34 H new ATOM 0 HB2 LEU A 40 0.557 16.397 -4.234 1.00 42.10 H new ATOM 0 HB3 LEU A 40 -0.558 16.656 -2.907 1.00 42.10 H new ATOM 0 HG LEU A 40 0.925 14.095 -3.537 1.00 50.32 H new ATOM 0 HD11 LEU A 40 2.039 14.576 -1.379 1.00 25.32 H new ATOM 0 HD12 LEU A 40 2.301 15.888 -2.553 1.00 25.32 H new ATOM 0 HD13 LEU A 40 1.112 16.089 -1.244 1.00 25.32 H new ATOM 0 HD21 LEU A 40 -0.039 13.253 -1.426 1.00 63.13 H new ATOM 0 HD22 LEU A 40 -1.009 14.738 -1.280 1.00 63.13 H new ATOM 0 HD23 LEU A 40 -1.304 13.611 -2.625 1.00 63.13 H new ATOM 582 N PRO A 41 -3.099 17.213 -4.080 1.00 72.43 N ATOM 583 CA PRO A 41 -3.890 18.409 -4.328 1.00 15.21 C ATOM 584 C PRO A 41 -3.308 19.644 -3.638 1.00 35.41 C ATOM 585 O PRO A 41 -4.051 20.549 -3.218 1.00 75.04 O ATOM 586 CB PRO A 41 -5.226 18.040 -3.697 1.00 40.21 C ATOM 587 CG PRO A 41 -4.878 17.154 -2.538 1.00 24.23 C ATOM 588 CD PRO A 41 -3.517 16.557 -2.830 1.00 2.23 C ATOM 0 HA PRO A 41 -3.938 18.671 -5.385 1.00 15.21 H new ATOM 0 HB2 PRO A 41 -5.765 18.928 -3.367 1.00 40.21 H new ATOM 0 HB3 PRO A 41 -5.869 17.523 -4.409 1.00 40.21 H new ATOM 0 HG2 PRO A 41 -4.858 17.724 -1.609 1.00 24.23 H new ATOM 0 HG3 PRO A 41 -5.625 16.370 -2.414 1.00 24.23 H new ATOM 0 HD2 PRO A 41 -2.813 16.754 -2.021 1.00 2.23 H new ATOM 0 HD3 PRO A 41 -3.573 15.475 -2.947 1.00 2.23 H new ATOM 596 N ASP A 42 -2.002 19.715 -3.550 1.00 20.22 N ATOM 597 CA ASP A 42 -1.378 20.838 -2.879 1.00 60.14 C ATOM 598 C ASP A 42 -0.159 21.298 -3.660 1.00 61.33 C ATOM 599 O ASP A 42 0.183 20.708 -4.690 1.00 54.21 O ATOM 600 CB ASP A 42 -0.976 20.466 -1.453 1.00 21.12 C ATOM 601 CG ASP A 42 -1.137 21.627 -0.499 1.00 54.35 C ATOM 602 OD1 ASP A 42 -0.418 22.643 -0.617 1.00 5.41 O ATOM 603 OD2 ASP A 42 -2.043 21.560 0.352 1.00 63.42 O ATOM 0 H ASP A 42 -1.356 19.022 -3.927 1.00 20.22 H new ATOM 0 HA ASP A 42 -2.101 21.652 -2.829 1.00 60.14 H new ATOM 0 HB2 ASP A 42 -1.585 19.629 -1.111 1.00 21.12 H new ATOM 0 HB3 ASP A 42 0.061 20.131 -1.444 1.00 21.12 H new ATOM 608 N THR A 43 0.493 22.307 -3.167 1.00 30.15 N ATOM 609 CA THR A 43 1.620 22.907 -3.808 1.00 64.30 C ATOM 610 C THR A 43 2.878 22.634 -2.955 1.00 34.44 C ATOM 611 O THR A 43 2.759 22.242 -1.804 1.00 24.43 O ATOM 612 CB THR A 43 1.368 24.426 -3.897 1.00 54.35 C ATOM 613 OG1 THR A 43 0.014 24.645 -4.349 1.00 12.34 O ATOM 614 CG2 THR A 43 2.311 25.067 -4.890 1.00 60.33 C ATOM 0 H THR A 43 0.247 22.748 -2.281 1.00 30.15 H new ATOM 0 HA THR A 43 1.766 22.496 -4.807 1.00 64.30 H new ATOM 0 HB THR A 43 1.530 24.867 -2.914 1.00 54.35 H new ATOM 0 HG1 THR A 43 -0.159 25.608 -4.408 1.00 12.34 H new ATOM 0 HG21 THR A 43 2.116 26.138 -4.937 1.00 60.33 H new ATOM 0 HG22 THR A 43 3.341 24.899 -4.575 1.00 60.33 H new ATOM 0 HG23 THR A 43 2.157 24.626 -5.875 1.00 60.33 H new ATOM 622 N GLY A 44 4.061 22.787 -3.531 1.00 51.33 N ATOM 623 CA GLY A 44 5.289 22.613 -2.776 1.00 31.32 C ATOM 624 C GLY A 44 5.893 21.257 -2.993 1.00 23.33 C ATOM 625 O GLY A 44 7.090 21.046 -2.792 1.00 14.23 O ATOM 0 H GLY A 44 4.195 23.030 -4.513 1.00 51.33 H new ATOM 0 HA2 GLY A 44 6.006 23.380 -3.068 1.00 31.32 H new ATOM 0 HA3 GLY A 44 5.085 22.754 -1.714 1.00 31.32 H new ATOM 629 N VAL A 45 5.072 20.348 -3.432 1.00 61.12 N ATOM 630 CA VAL A 45 5.476 18.989 -3.655 1.00 61.41 C ATOM 631 C VAL A 45 6.234 18.847 -4.992 1.00 5.44 C ATOM 632 O VAL A 45 5.915 19.532 -5.984 1.00 14.41 O ATOM 633 CB VAL A 45 4.243 18.033 -3.596 1.00 75.33 C ATOM 634 CG1 VAL A 45 3.205 18.368 -4.664 1.00 53.23 C ATOM 635 CG2 VAL A 45 4.667 16.583 -3.686 1.00 54.53 C ATOM 0 H VAL A 45 4.092 20.531 -3.648 1.00 61.12 H new ATOM 0 HA VAL A 45 6.162 18.702 -2.859 1.00 61.41 H new ATOM 0 HB VAL A 45 3.769 18.187 -2.627 1.00 75.33 H new ATOM 0 HG11 VAL A 45 2.366 17.677 -4.585 1.00 53.23 H new ATOM 0 HG12 VAL A 45 2.850 19.388 -4.519 1.00 53.23 H new ATOM 0 HG13 VAL A 45 3.657 18.278 -5.652 1.00 53.23 H new ATOM 0 HG21 VAL A 45 3.786 15.943 -3.642 1.00 54.53 H new ATOM 0 HG22 VAL A 45 5.191 16.415 -4.627 1.00 54.53 H new ATOM 0 HG23 VAL A 45 5.330 16.345 -2.854 1.00 54.53 H new ATOM 645 N SER A 46 7.243 18.002 -4.990 1.00 35.42 N ATOM 646 CA SER A 46 8.048 17.703 -6.160 1.00 11.12 C ATOM 647 C SER A 46 7.295 16.682 -7.054 1.00 55.51 C ATOM 648 O SER A 46 6.098 16.422 -6.830 1.00 44.04 O ATOM 649 CB SER A 46 9.362 17.113 -5.653 1.00 11.23 C ATOM 650 OG SER A 46 9.909 17.942 -4.625 1.00 31.44 O ATOM 0 H SER A 46 7.535 17.491 -4.157 1.00 35.42 H new ATOM 0 HA SER A 46 8.239 18.594 -6.758 1.00 11.12 H new ATOM 0 HB2 SER A 46 9.193 16.107 -5.268 1.00 11.23 H new ATOM 0 HB3 SER A 46 10.071 17.025 -6.476 1.00 11.23 H new ATOM 0 HG SER A 46 10.850 18.130 -4.823 1.00 31.44 H new ATOM 656 N ARG A 47 7.945 16.133 -8.077 1.00 2.42 N ATOM 657 CA ARG A 47 7.281 15.103 -8.871 1.00 3.13 C ATOM 658 C ARG A 47 7.315 13.791 -8.121 1.00 1.41 C ATOM 659 O ARG A 47 6.304 13.117 -7.994 1.00 70.15 O ATOM 660 CB ARG A 47 7.836 14.972 -10.300 1.00 13.15 C ATOM 661 CG ARG A 47 9.300 14.629 -10.401 1.00 73.15 C ATOM 662 CD ARG A 47 9.704 14.456 -11.830 1.00 11.21 C ATOM 663 NE ARG A 47 11.121 14.194 -11.976 1.00 44.30 N ATOM 664 CZ ARG A 47 11.677 13.614 -13.041 1.00 32.24 C ATOM 665 NH1 ARG A 47 10.908 13.192 -14.060 1.00 33.33 N ATOM 666 NH2 ARG A 47 12.987 13.460 -13.090 1.00 2.40 N ATOM 0 H ARG A 47 8.893 16.371 -8.368 1.00 2.42 H new ATOM 0 HA ARG A 47 6.244 15.410 -9.009 1.00 3.13 H new ATOM 0 HB2 ARG A 47 7.265 14.206 -10.824 1.00 13.15 H new ATOM 0 HB3 ARG A 47 7.664 15.912 -10.825 1.00 13.15 H new ATOM 0 HG2 ARG A 47 9.896 15.418 -9.942 1.00 73.15 H new ATOM 0 HG3 ARG A 47 9.503 13.713 -9.847 1.00 73.15 H new ATOM 0 HD2 ARG A 47 9.138 13.633 -12.267 1.00 11.21 H new ATOM 0 HD3 ARG A 47 9.444 15.355 -12.389 1.00 11.21 H new ATOM 0 HE ARG A 47 11.736 14.472 -11.212 1.00 44.30 H new ATOM 0 HH11 ARG A 47 9.896 13.315 -14.020 1.00 33.33 H new ATOM 0 HH12 ARG A 47 11.336 12.749 -14.873 1.00 33.33 H new ATOM 0 HH21 ARG A 47 13.568 13.784 -12.317 1.00 2.40 H new ATOM 0 HH22 ARG A 47 13.418 13.017 -13.901 1.00 2.40 H new ATOM 680 N ARG A 48 8.472 13.446 -7.615 1.00 53.54 N ATOM 681 CA ARG A 48 8.595 12.334 -6.738 1.00 41.10 C ATOM 682 C ARG A 48 8.876 12.861 -5.389 1.00 65.20 C ATOM 683 O ARG A 48 9.925 13.441 -5.150 1.00 13.03 O ATOM 684 CB ARG A 48 9.687 11.347 -7.134 1.00 2.01 C ATOM 685 CG ARG A 48 9.373 10.511 -8.342 1.00 75.42 C ATOM 686 CD ARG A 48 10.358 9.369 -8.456 1.00 71.25 C ATOM 687 NE ARG A 48 10.044 8.476 -9.560 1.00 4.45 N ATOM 688 CZ ARG A 48 10.136 7.138 -9.514 1.00 13.12 C ATOM 689 NH1 ARG A 48 10.383 6.516 -8.365 1.00 64.44 N ATOM 690 NH2 ARG A 48 9.932 6.422 -10.607 1.00 41.35 N ATOM 0 H ARG A 48 9.347 13.934 -7.805 1.00 53.54 H new ATOM 0 HA ARG A 48 7.661 11.774 -6.781 1.00 41.10 H new ATOM 0 HB2 ARG A 48 10.607 11.901 -7.322 1.00 2.01 H new ATOM 0 HB3 ARG A 48 9.881 10.684 -6.291 1.00 2.01 H new ATOM 0 HG2 ARG A 48 8.358 10.120 -8.269 1.00 75.42 H new ATOM 0 HG3 ARG A 48 9.413 11.127 -9.240 1.00 75.42 H new ATOM 0 HD2 ARG A 48 11.362 9.771 -8.591 1.00 71.25 H new ATOM 0 HD3 ARG A 48 10.364 8.803 -7.524 1.00 71.25 H new ATOM 0 HE ARG A 48 9.731 8.898 -10.434 1.00 4.45 H new ATOM 0 HH11 ARG A 48 10.504 7.056 -7.508 1.00 64.44 H new ATOM 0 HH12 ARG A 48 10.451 5.499 -8.340 1.00 64.44 H new ATOM 0 HH21 ARG A 48 9.705 6.887 -11.486 1.00 41.35 H new ATOM 0 HH22 ARG A 48 10.002 5.405 -10.571 1.00 41.35 H new ATOM 704 N HIS A 49 7.927 12.745 -4.548 1.00 23.41 N ATOM 705 CA HIS A 49 8.076 13.188 -3.199 1.00 21.30 C ATOM 706 C HIS A 49 8.263 11.976 -2.341 1.00 63.32 C ATOM 707 O HIS A 49 9.122 11.926 -1.478 1.00 42.52 O ATOM 708 CB HIS A 49 6.841 13.982 -2.753 1.00 50.40 C ATOM 709 CG HIS A 49 6.948 14.537 -1.368 1.00 35.35 C ATOM 710 ND1 HIS A 49 7.300 15.840 -1.146 1.00 75.25 N ATOM 711 CD2 HIS A 49 6.783 13.912 -0.182 1.00 3.33 C ATOM 712 CE1 HIS A 49 7.349 15.967 0.162 1.00 53.44 C ATOM 713 NE2 HIS A 49 7.049 14.824 0.791 1.00 23.20 N ATOM 0 H HIS A 49 7.016 12.340 -4.764 1.00 23.41 H new ATOM 0 HA HIS A 49 8.937 13.850 -3.110 1.00 21.30 H new ATOM 0 HB2 HIS A 49 6.676 14.802 -3.451 1.00 50.40 H new ATOM 0 HB3 HIS A 49 5.965 13.335 -2.809 1.00 50.40 H new ATOM 0 HD2 HIS A 49 6.494 12.882 -0.034 1.00 3.33 H new ATOM 0 HE1 HIS A 49 7.602 16.886 0.670 1.00 53.44 H new ATOM 0 HE2 HIS A 49 7.025 14.668 1.799 1.00 23.20 H new ATOM 721 N LEU A 50 7.447 11.002 -2.590 1.00 32.34 N ATOM 722 CA LEU A 50 7.485 9.783 -1.866 1.00 53.41 C ATOM 723 C LEU A 50 6.816 8.734 -2.685 1.00 72.43 C ATOM 724 O LEU A 50 5.987 9.052 -3.514 1.00 43.20 O ATOM 725 CB LEU A 50 6.814 9.989 -0.481 1.00 22.04 C ATOM 726 CG LEU A 50 6.557 8.758 0.390 1.00 72.54 C ATOM 727 CD1 LEU A 50 6.588 9.166 1.837 1.00 24.12 C ATOM 728 CD2 LEU A 50 5.181 8.174 0.089 1.00 30.21 C ATOM 0 H LEU A 50 6.728 11.037 -3.313 1.00 32.34 H new ATOM 0 HA LEU A 50 8.508 9.459 -1.676 1.00 53.41 H new ATOM 0 HB2 LEU A 50 7.436 10.677 0.091 1.00 22.04 H new ATOM 0 HB3 LEU A 50 5.858 10.486 -0.645 1.00 22.04 H new ATOM 0 HG LEU A 50 7.324 8.013 0.180 1.00 72.54 H new ATOM 0 HD11 LEU A 50 6.406 8.294 2.465 1.00 24.12 H new ATOM 0 HD12 LEU A 50 7.565 9.587 2.075 1.00 24.12 H new ATOM 0 HD13 LEU A 50 5.816 9.913 2.021 1.00 24.12 H new ATOM 0 HD21 LEU A 50 5.012 7.299 0.716 1.00 30.21 H new ATOM 0 HD22 LEU A 50 4.415 8.922 0.296 1.00 30.21 H new ATOM 0 HD23 LEU A 50 5.131 7.884 -0.960 1.00 30.21 H new ATOM 740 N GLU A 51 7.201 7.519 -2.512 1.00 13.34 N ATOM 741 CA GLU A 51 6.561 6.442 -3.187 1.00 50.33 C ATOM 742 C GLU A 51 6.366 5.313 -2.218 1.00 21.41 C ATOM 743 O GLU A 51 7.200 5.067 -1.340 1.00 34.30 O ATOM 744 CB GLU A 51 7.340 5.980 -4.435 1.00 4.54 C ATOM 745 CG GLU A 51 8.656 5.298 -4.146 1.00 75.43 C ATOM 746 CD GLU A 51 9.471 5.053 -5.395 1.00 14.31 C ATOM 747 OE1 GLU A 51 9.081 4.204 -6.230 1.00 55.42 O ATOM 748 OE2 GLU A 51 10.538 5.693 -5.547 1.00 64.23 O ATOM 0 H GLU A 51 7.968 7.242 -1.899 1.00 13.34 H new ATOM 0 HA GLU A 51 5.594 6.788 -3.551 1.00 50.33 H new ATOM 0 HB2 GLU A 51 6.711 5.297 -5.006 1.00 4.54 H new ATOM 0 HB3 GLU A 51 7.528 6.846 -5.070 1.00 4.54 H new ATOM 0 HG2 GLU A 51 9.234 5.910 -3.454 1.00 75.43 H new ATOM 0 HG3 GLU A 51 8.466 4.347 -3.648 1.00 75.43 H new ATOM 755 N ILE A 52 5.266 4.679 -2.311 1.00 70.10 N ATOM 756 CA ILE A 52 5.023 3.556 -1.491 1.00 14.05 C ATOM 757 C ILE A 52 5.121 2.338 -2.346 1.00 34.02 C ATOM 758 O ILE A 52 4.316 2.157 -3.264 1.00 62.04 O ATOM 759 CB ILE A 52 3.645 3.593 -0.809 1.00 12.34 C ATOM 760 CG1 ILE A 52 3.471 4.906 -0.026 1.00 75.00 C ATOM 761 CG2 ILE A 52 3.542 2.395 0.128 1.00 62.14 C ATOM 762 CD1 ILE A 52 2.110 5.085 0.619 1.00 42.24 C ATOM 0 H ILE A 52 4.510 4.919 -2.952 1.00 70.10 H new ATOM 0 HA ILE A 52 5.764 3.553 -0.691 1.00 14.05 H new ATOM 0 HB ILE A 52 2.856 3.545 -1.559 1.00 12.34 H new ATOM 0 HG12 ILE A 52 4.235 4.954 0.750 1.00 75.00 H new ATOM 0 HG13 ILE A 52 3.650 5.742 -0.702 1.00 75.00 H new ATOM 0 HG21 ILE A 52 2.571 2.402 0.623 1.00 62.14 H new ATOM 0 HG22 ILE A 52 3.650 1.474 -0.445 1.00 62.14 H new ATOM 0 HG23 ILE A 52 4.331 2.451 0.878 1.00 62.14 H new ATOM 0 HD11 ILE A 52 2.081 6.038 1.148 1.00 42.24 H new ATOM 0 HD12 ILE A 52 1.338 5.073 -0.151 1.00 42.24 H new ATOM 0 HD13 ILE A 52 1.932 4.273 1.324 1.00 42.24 H new ATOM 774 N ARG A 53 6.075 1.512 -2.064 1.00 13.44 N ATOM 775 CA ARG A 53 6.272 0.333 -2.826 1.00 63.42 C ATOM 776 C ARG A 53 5.457 -0.747 -2.173 1.00 14.41 C ATOM 777 O ARG A 53 5.772 -1.218 -1.071 1.00 31.41 O ATOM 778 CB ARG A 53 7.760 -0.055 -2.870 1.00 20.34 C ATOM 779 CG ARG A 53 8.686 1.050 -3.354 1.00 5.45 C ATOM 780 CD ARG A 53 10.111 0.547 -3.505 1.00 14.51 C ATOM 781 NE ARG A 53 11.045 1.591 -3.970 1.00 31.33 N ATOM 782 CZ ARG A 53 11.787 1.513 -5.087 1.00 64.30 C ATOM 783 NH1 ARG A 53 11.569 0.544 -5.973 1.00 45.33 N ATOM 784 NH2 ARG A 53 12.712 2.431 -5.332 1.00 53.01 N ATOM 0 H ARG A 53 6.737 1.640 -1.298 1.00 13.44 H new ATOM 0 HA ARG A 53 5.959 0.486 -3.859 1.00 63.42 H new ATOM 0 HB2 ARG A 53 8.072 -0.362 -1.872 1.00 20.34 H new ATOM 0 HB3 ARG A 53 7.877 -0.921 -3.521 1.00 20.34 H new ATOM 0 HG2 ARG A 53 8.330 1.433 -4.310 1.00 5.45 H new ATOM 0 HG3 ARG A 53 8.664 1.881 -2.649 1.00 5.45 H new ATOM 0 HD2 ARG A 53 10.457 0.159 -2.547 1.00 14.51 H new ATOM 0 HD3 ARG A 53 10.124 -0.285 -4.210 1.00 14.51 H new ATOM 0 HE ARG A 53 11.133 2.433 -3.402 1.00 31.33 H new ATOM 0 HH11 ARG A 53 10.835 -0.144 -5.806 1.00 45.33 H new ATOM 0 HH12 ARG A 53 12.136 0.490 -6.819 1.00 45.33 H new ATOM 0 HH21 ARG A 53 12.859 3.195 -4.673 1.00 53.01 H new ATOM 0 HH22 ARG A 53 13.276 2.373 -6.180 1.00 53.01 H new ATOM 798 N TRP A 54 4.399 -1.089 -2.817 1.00 20.14 N ATOM 799 CA TRP A 54 3.475 -2.040 -2.303 1.00 23.54 C ATOM 800 C TRP A 54 3.509 -3.288 -3.134 1.00 14.33 C ATOM 801 O TRP A 54 3.212 -3.268 -4.325 1.00 44.12 O ATOM 802 CB TRP A 54 2.054 -1.432 -2.224 1.00 64.03 C ATOM 803 CG TRP A 54 0.949 -2.415 -1.889 1.00 0.04 C ATOM 804 CD1 TRP A 54 -0.165 -2.663 -2.631 1.00 23.31 C ATOM 805 CD2 TRP A 54 0.870 -3.297 -0.755 1.00 2.22 C ATOM 806 NE1 TRP A 54 -0.936 -3.621 -2.021 1.00 50.50 N ATOM 807 CE2 TRP A 54 -0.322 -4.029 -0.879 1.00 14.34 C ATOM 808 CE3 TRP A 54 1.682 -3.536 0.344 1.00 74.31 C ATOM 809 CZ2 TRP A 54 -0.715 -4.978 0.055 1.00 4.02 C ATOM 810 CZ3 TRP A 54 1.295 -4.483 1.272 1.00 64.43 C ATOM 811 CH2 TRP A 54 0.106 -5.192 1.122 1.00 34.25 C ATOM 0 H TRP A 54 4.145 -0.711 -3.730 1.00 20.14 H new ATOM 0 HA TRP A 54 3.764 -2.310 -1.287 1.00 23.54 H new ATOM 0 HB2 TRP A 54 2.055 -0.642 -1.473 1.00 64.03 H new ATOM 0 HB3 TRP A 54 1.823 -0.963 -3.180 1.00 64.03 H new ATOM 0 HD1 TRP A 54 -0.407 -2.177 -3.564 1.00 23.31 H new ATOM 0 HE1 TRP A 54 -1.828 -3.971 -2.370 1.00 50.50 H new ATOM 0 HE3 TRP A 54 2.604 -2.989 0.472 1.00 74.31 H new ATOM 0 HZ2 TRP A 54 -1.638 -5.527 -0.060 1.00 4.02 H new ATOM 0 HZ3 TRP A 54 1.925 -4.677 2.128 1.00 64.43 H new ATOM 0 HH2 TRP A 54 -0.171 -5.925 1.865 1.00 34.25 H new ATOM 822 N ASP A 55 3.920 -4.344 -2.522 1.00 64.20 N ATOM 823 CA ASP A 55 3.964 -5.632 -3.157 1.00 32.12 C ATOM 824 C ASP A 55 3.068 -6.528 -2.346 1.00 44.25 C ATOM 825 O ASP A 55 2.787 -6.206 -1.185 1.00 25.01 O ATOM 826 CB ASP A 55 5.404 -6.171 -3.168 1.00 44.14 C ATOM 827 CG ASP A 55 5.560 -7.463 -3.945 1.00 12.13 C ATOM 828 OD1 ASP A 55 5.801 -7.407 -5.171 1.00 51.33 O ATOM 829 OD2 ASP A 55 5.469 -8.547 -3.351 1.00 24.31 O ATOM 0 H ASP A 55 4.241 -4.346 -1.554 1.00 64.20 H new ATOM 0 HA ASP A 55 3.633 -5.579 -4.194 1.00 32.12 H new ATOM 0 HB2 ASP A 55 6.063 -5.416 -3.597 1.00 44.14 H new ATOM 0 HB3 ASP A 55 5.731 -6.332 -2.141 1.00 44.14 H new ATOM 834 N GLY A 56 2.622 -7.626 -2.907 1.00 65.21 N ATOM 835 CA GLY A 56 1.725 -8.528 -2.208 1.00 73.35 C ATOM 836 C GLY A 56 2.418 -9.350 -1.128 1.00 52.24 C ATOM 837 O GLY A 56 2.325 -10.582 -1.112 1.00 31.31 O ATOM 0 H GLY A 56 2.865 -7.922 -3.852 1.00 65.21 H new ATOM 0 HA2 GLY A 56 0.920 -7.950 -1.754 1.00 73.35 H new ATOM 0 HA3 GLY A 56 1.265 -9.203 -2.930 1.00 73.35 H new ATOM 841 N GLN A 57 3.093 -8.666 -0.232 1.00 54.30 N ATOM 842 CA GLN A 57 3.792 -9.265 0.861 1.00 15.12 C ATOM 843 C GLN A 57 3.936 -8.224 1.973 1.00 54.01 C ATOM 844 O GLN A 57 3.369 -8.377 3.055 1.00 31.44 O ATOM 845 CB GLN A 57 5.180 -9.749 0.417 1.00 35.54 C ATOM 846 CG GLN A 57 5.895 -10.610 1.452 1.00 11.21 C ATOM 847 CD GLN A 57 5.236 -11.974 1.651 1.00 64.41 C ATOM 848 OE1 GLN A 57 4.648 -12.543 0.727 1.00 31.35 O ATOM 849 NE2 GLN A 57 5.324 -12.503 2.834 1.00 55.12 N ATOM 0 H GLN A 57 3.167 -7.649 -0.252 1.00 54.30 H new ATOM 0 HA GLN A 57 3.232 -10.128 1.221 1.00 15.12 H new ATOM 0 HB2 GLN A 57 5.077 -10.319 -0.506 1.00 35.54 H new ATOM 0 HB3 GLN A 57 5.800 -8.882 0.189 1.00 35.54 H new ATOM 0 HG2 GLN A 57 6.930 -10.754 1.144 1.00 11.21 H new ATOM 0 HG3 GLN A 57 5.917 -10.081 2.405 1.00 11.21 H new ATOM 0 HE21 GLN A 57 5.816 -12.009 3.578 1.00 55.12 H new ATOM 0 HE22 GLN A 57 4.901 -13.412 3.019 1.00 55.12 H new ATOM 858 N VAL A 58 4.659 -7.144 1.679 1.00 14.00 N ATOM 859 CA VAL A 58 4.925 -6.074 2.650 1.00 32.41 C ATOM 860 C VAL A 58 4.783 -4.700 1.997 1.00 41.00 C ATOM 861 O VAL A 58 4.847 -4.580 0.768 1.00 54.34 O ATOM 862 CB VAL A 58 6.345 -6.182 3.301 1.00 64.44 C ATOM 863 CG1 VAL A 58 6.461 -7.417 4.181 1.00 21.21 C ATOM 864 CG2 VAL A 58 7.444 -6.183 2.236 1.00 31.50 C ATOM 0 H VAL A 58 5.078 -6.983 0.763 1.00 14.00 H new ATOM 0 HA VAL A 58 4.183 -6.194 3.439 1.00 32.41 H new ATOM 0 HB VAL A 58 6.478 -5.303 3.931 1.00 64.44 H new ATOM 0 HG11 VAL A 58 7.459 -7.461 4.617 1.00 21.21 H new ATOM 0 HG12 VAL A 58 5.719 -7.367 4.978 1.00 21.21 H new ATOM 0 HG13 VAL A 58 6.288 -8.310 3.580 1.00 21.21 H new ATOM 0 HG21 VAL A 58 8.418 -6.259 2.719 1.00 31.50 H new ATOM 0 HG22 VAL A 58 7.303 -7.033 1.568 1.00 31.50 H new ATOM 0 HG23 VAL A 58 7.395 -5.258 1.662 1.00 31.50 H new ATOM 874 N ALA A 59 4.579 -3.684 2.819 1.00 74.02 N ATOM 875 CA ALA A 59 4.426 -2.319 2.353 1.00 45.31 C ATOM 876 C ALA A 59 5.656 -1.507 2.704 1.00 42.22 C ATOM 877 O ALA A 59 5.917 -1.217 3.879 1.00 63.13 O ATOM 878 CB ALA A 59 3.187 -1.686 2.959 1.00 11.42 C ATOM 0 H ALA A 59 4.515 -3.785 3.832 1.00 74.02 H new ATOM 0 HA ALA A 59 4.311 -2.333 1.269 1.00 45.31 H new ATOM 0 HB1 ALA A 59 3.088 -0.662 2.598 1.00 11.42 H new ATOM 0 HB2 ALA A 59 2.307 -2.260 2.669 1.00 11.42 H new ATOM 0 HB3 ALA A 59 3.275 -1.681 4.045 1.00 11.42 H new ATOM 884 N LEU A 60 6.394 -1.145 1.702 1.00 2.23 N ATOM 885 CA LEU A 60 7.623 -0.420 1.861 1.00 41.50 C ATOM 886 C LEU A 60 7.363 1.061 1.565 1.00 43.34 C ATOM 887 O LEU A 60 6.962 1.425 0.470 1.00 35.04 O ATOM 888 CB LEU A 60 8.663 -1.042 0.893 1.00 54.20 C ATOM 889 CG LEU A 60 10.148 -0.606 0.948 1.00 42.02 C ATOM 890 CD1 LEU A 60 10.941 -1.491 0.012 1.00 14.43 C ATOM 891 CD2 LEU A 60 10.350 0.847 0.536 1.00 1.34 C ATOM 0 H LEU A 60 6.158 -1.347 0.731 1.00 2.23 H new ATOM 0 HA LEU A 60 8.012 -0.486 2.877 1.00 41.50 H new ATOM 0 HB2 LEU A 60 8.639 -2.121 1.045 1.00 54.20 H new ATOM 0 HB3 LEU A 60 8.310 -0.855 -0.121 1.00 54.20 H new ATOM 0 HG LEU A 60 10.485 -0.703 1.980 1.00 42.02 H new ATOM 0 HD11 LEU A 60 11.991 -1.199 0.037 1.00 14.43 H new ATOM 0 HD12 LEU A 60 10.846 -2.530 0.326 1.00 14.43 H new ATOM 0 HD13 LEU A 60 10.558 -1.382 -1.003 1.00 14.43 H new ATOM 0 HD21 LEU A 60 11.409 1.098 0.593 1.00 1.34 H new ATOM 0 HD22 LEU A 60 9.999 0.988 -0.486 1.00 1.34 H new ATOM 0 HD23 LEU A 60 9.787 1.497 1.206 1.00 1.34 H new ATOM 903 N LEU A 61 7.568 1.880 2.536 1.00 42.34 N ATOM 904 CA LEU A 61 7.389 3.306 2.417 1.00 31.23 C ATOM 905 C LEU A 61 8.748 3.918 2.084 1.00 54.31 C ATOM 906 O LEU A 61 9.712 3.701 2.811 1.00 12.45 O ATOM 907 CB LEU A 61 6.806 3.825 3.770 1.00 0.23 C ATOM 908 CG LEU A 61 6.479 5.332 3.970 1.00 32.02 C ATOM 909 CD1 LEU A 61 7.718 6.225 4.009 1.00 3.33 C ATOM 910 CD2 LEU A 61 5.501 5.804 2.918 1.00 4.22 C ATOM 0 H LEU A 61 7.873 1.581 3.463 1.00 42.34 H new ATOM 0 HA LEU A 61 6.694 3.583 1.624 1.00 31.23 H new ATOM 0 HB2 LEU A 61 5.886 3.270 3.956 1.00 0.23 H new ATOM 0 HB3 LEU A 61 7.512 3.544 4.552 1.00 0.23 H new ATOM 0 HG LEU A 61 6.018 5.421 4.954 1.00 32.02 H new ATOM 0 HD11 LEU A 61 7.415 7.262 4.151 1.00 3.33 H new ATOM 0 HD12 LEU A 61 8.361 5.919 4.834 1.00 3.33 H new ATOM 0 HD13 LEU A 61 8.263 6.132 3.070 1.00 3.33 H new ATOM 0 HD21 LEU A 61 5.283 6.861 3.072 1.00 4.22 H new ATOM 0 HD22 LEU A 61 5.936 5.664 1.928 1.00 4.22 H new ATOM 0 HD23 LEU A 61 4.579 5.228 2.994 1.00 4.22 H new ATOM 922 N ALA A 62 8.831 4.649 0.986 1.00 3.15 N ATOM 923 CA ALA A 62 10.081 5.255 0.570 1.00 64.42 C ATOM 924 C ALA A 62 9.907 6.744 0.283 1.00 34.32 C ATOM 925 O ALA A 62 9.064 7.140 -0.512 1.00 25.15 O ATOM 926 CB ALA A 62 10.630 4.537 -0.655 1.00 15.44 C ATOM 0 H ALA A 62 8.044 4.837 0.365 1.00 3.15 H new ATOM 0 HA ALA A 62 10.794 5.155 1.388 1.00 64.42 H new ATOM 0 HB1 ALA A 62 11.569 5.001 -0.958 1.00 15.44 H new ATOM 0 HB2 ALA A 62 10.804 3.488 -0.414 1.00 15.44 H new ATOM 0 HB3 ALA A 62 9.910 4.607 -1.471 1.00 15.44 H new ATOM 932 N ASP A 63 10.699 7.544 0.939 1.00 24.41 N ATOM 933 CA ASP A 63 10.693 9.001 0.782 1.00 44.03 C ATOM 934 C ASP A 63 11.688 9.410 -0.295 1.00 21.55 C ATOM 935 O ASP A 63 12.784 8.834 -0.381 1.00 22.01 O ATOM 936 CB ASP A 63 11.069 9.658 2.125 1.00 14.03 C ATOM 937 CG ASP A 63 11.424 11.137 2.029 1.00 3.13 C ATOM 938 OD1 ASP A 63 10.530 11.987 2.173 1.00 33.45 O ATOM 939 OD2 ASP A 63 12.625 11.454 1.857 1.00 44.54 O ATOM 0 H ASP A 63 11.386 7.211 1.615 1.00 24.41 H new ATOM 0 HA ASP A 63 9.698 9.331 0.483 1.00 44.03 H new ATOM 0 HB2 ASP A 63 10.235 9.542 2.818 1.00 14.03 H new ATOM 0 HB3 ASP A 63 11.916 9.121 2.553 1.00 14.03 H new ATOM 944 N LEU A 64 11.309 10.354 -1.133 1.00 31.23 N ATOM 945 CA LEU A 64 12.194 10.871 -2.166 1.00 41.24 C ATOM 946 C LEU A 64 12.267 12.390 -2.068 1.00 30.45 C ATOM 947 O LEU A 64 11.660 13.091 -2.890 1.00 63.41 O ATOM 948 CB LEU A 64 11.674 10.547 -3.606 1.00 63.13 C ATOM 949 CG LEU A 64 11.591 9.100 -4.099 1.00 43.23 C ATOM 950 CD1 LEU A 64 12.933 8.405 -4.032 1.00 74.32 C ATOM 951 CD2 LEU A 64 10.535 8.303 -3.374 1.00 2.11 C ATOM 0 H LEU A 64 10.384 10.785 -1.120 1.00 31.23 H new ATOM 0 HA LEU A 64 13.164 10.399 -2.007 1.00 41.24 H new ATOM 0 HB2 LEU A 64 10.674 10.972 -3.689 1.00 63.13 H new ATOM 0 HB3 LEU A 64 12.310 11.089 -4.306 1.00 63.13 H new ATOM 0 HG LEU A 64 11.293 9.153 -5.146 1.00 43.23 H new ATOM 0 HD11 LEU A 64 12.831 7.381 -4.391 1.00 74.32 H new ATOM 0 HD12 LEU A 64 13.650 8.938 -4.656 1.00 74.32 H new ATOM 0 HD13 LEU A 64 13.286 8.395 -3.001 1.00 74.32 H new ATOM 0 HD21 LEU A 64 10.518 7.284 -3.762 1.00 2.11 H new ATOM 0 HD22 LEU A 64 10.763 8.282 -2.308 1.00 2.11 H new ATOM 0 HD23 LEU A 64 9.560 8.766 -3.527 1.00 2.11 H new ATOM 963 N ASN A 65 13.006 12.906 -1.107 1.00 4.13 N ATOM 964 CA ASN A 65 13.176 14.351 -0.994 1.00 0.01 C ATOM 965 C ASN A 65 14.148 14.664 0.113 1.00 71.33 C ATOM 966 O ASN A 65 14.169 13.985 1.140 1.00 41.14 O ATOM 967 CB ASN A 65 11.846 15.055 -0.694 1.00 11.25 C ATOM 968 CG ASN A 65 11.779 16.406 -1.356 1.00 32.40 C ATOM 969 OD1 ASN A 65 12.219 17.412 -0.805 1.00 11.04 O ATOM 970 ND2 ASN A 65 11.217 16.433 -2.534 1.00 0.53 N ATOM 0 H ASN A 65 13.495 12.359 -0.398 1.00 4.13 H new ATOM 0 HA ASN A 65 13.555 14.713 -1.950 1.00 0.01 H new ATOM 0 HB2 ASN A 65 11.018 14.436 -1.041 1.00 11.25 H new ATOM 0 HB3 ASN A 65 11.728 15.170 0.384 1.00 11.25 H new ATOM 0 HD21 ASN A 65 11.129 17.316 -3.037 1.00 0.53 H new ATOM 0 HD22 ASN A 65 10.866 15.571 -2.952 1.00 0.53 H new ATOM 977 N SER A 66 14.966 15.656 -0.075 1.00 64.11 N ATOM 978 CA SER A 66 15.913 16.018 0.939 1.00 55.43 C ATOM 979 C SER A 66 15.377 17.161 1.800 1.00 63.54 C ATOM 980 O SER A 66 15.393 17.091 3.035 1.00 63.01 O ATOM 981 CB SER A 66 17.253 16.373 0.296 1.00 13.25 C ATOM 982 OG SER A 66 17.097 17.369 -0.705 1.00 62.41 O ATOM 0 H SER A 66 14.998 16.228 -0.919 1.00 64.11 H new ATOM 0 HA SER A 66 16.070 15.166 1.600 1.00 55.43 H new ATOM 0 HB2 SER A 66 17.943 16.728 1.061 1.00 13.25 H new ATOM 0 HB3 SER A 66 17.696 15.479 -0.143 1.00 13.25 H new ATOM 0 HG SER A 66 17.970 17.578 -1.098 1.00 62.41 H new ATOM 988 N THR A 67 14.853 18.180 1.148 1.00 54.53 N ATOM 989 CA THR A 67 14.371 19.353 1.837 1.00 30.13 C ATOM 990 C THR A 67 12.973 19.135 2.431 1.00 41.23 C ATOM 991 O THR A 67 12.688 19.577 3.533 1.00 61.32 O ATOM 992 CB THR A 67 14.412 20.628 0.920 1.00 11.41 C ATOM 993 OG1 THR A 67 13.913 21.778 1.619 1.00 21.14 O ATOM 994 CG2 THR A 67 13.621 20.432 -0.374 1.00 12.43 C ATOM 0 H THR A 67 14.751 18.215 0.134 1.00 54.53 H new ATOM 0 HA THR A 67 15.052 19.530 2.670 1.00 30.13 H new ATOM 0 HB THR A 67 15.457 20.790 0.657 1.00 11.41 H new ATOM 0 HG1 THR A 67 13.949 22.560 1.030 1.00 21.14 H new ATOM 0 HG21 THR A 67 13.678 21.339 -0.976 1.00 12.43 H new ATOM 0 HG22 THR A 67 14.042 19.597 -0.935 1.00 12.43 H new ATOM 0 HG23 THR A 67 12.579 20.220 -0.135 1.00 12.43 H new ATOM 1002 N ASN A 68 12.138 18.411 1.733 1.00 15.34 N ATOM 1003 CA ASN A 68 10.756 18.189 2.161 1.00 31.31 C ATOM 1004 C ASN A 68 10.585 16.795 2.734 1.00 51.43 C ATOM 1005 O ASN A 68 9.486 16.227 2.670 1.00 71.41 O ATOM 1006 CB ASN A 68 9.777 18.388 0.992 1.00 55.23 C ATOM 1007 CG ASN A 68 9.751 19.795 0.433 1.00 14.51 C ATOM 1008 OD1 ASN A 68 9.961 20.775 1.152 1.00 42.44 O ATOM 1009 ND2 ASN A 68 9.498 19.909 -0.849 1.00 23.03 N ATOM 0 H ASN A 68 12.382 17.955 0.854 1.00 15.34 H new ATOM 0 HA ASN A 68 10.532 18.922 2.936 1.00 31.31 H new ATOM 0 HB2 ASN A 68 10.040 17.696 0.192 1.00 55.23 H new ATOM 0 HB3 ASN A 68 8.773 18.123 1.325 1.00 55.23 H new ATOM 0 HD21 ASN A 68 9.470 20.832 -1.283 1.00 23.03 H new ATOM 0 HD22 ASN A 68 9.329 19.075 -1.412 1.00 23.03 H new ATOM 1016 N GLY A 69 11.682 16.268 3.297 1.00 61.03 N ATOM 1017 CA GLY A 69 11.728 14.917 3.867 1.00 53.10 C ATOM 1018 C GLY A 69 10.515 14.564 4.721 1.00 2.04 C ATOM 1019 O GLY A 69 10.155 15.287 5.663 1.00 3.45 O ATOM 0 H GLY A 69 12.566 16.771 3.369 1.00 61.03 H new ATOM 0 HA2 GLY A 69 11.811 14.194 3.056 1.00 53.10 H new ATOM 0 HA3 GLY A 69 12.628 14.820 4.474 1.00 53.10 H new ATOM 1023 N THR A 70 9.904 13.477 4.373 1.00 25.14 N ATOM 1024 CA THR A 70 8.690 13.003 4.976 1.00 25.20 C ATOM 1025 C THR A 70 8.928 12.372 6.374 1.00 31.45 C ATOM 1026 O THR A 70 10.000 11.790 6.655 1.00 55.40 O ATOM 1027 CB THR A 70 8.071 11.970 4.020 1.00 33.12 C ATOM 1028 OG1 THR A 70 7.992 12.555 2.705 1.00 14.15 O ATOM 1029 CG2 THR A 70 6.687 11.543 4.465 1.00 44.20 C ATOM 0 H THR A 70 10.248 12.867 3.631 1.00 25.14 H new ATOM 0 HA THR A 70 8.018 13.846 5.135 1.00 25.20 H new ATOM 0 HB THR A 70 8.702 11.082 4.016 1.00 33.12 H new ATOM 0 HG1 THR A 70 8.851 12.446 2.246 1.00 14.15 H new ATOM 0 HG21 THR A 70 6.288 10.813 3.761 1.00 44.20 H new ATOM 0 HG22 THR A 70 6.746 11.096 5.457 1.00 44.20 H new ATOM 0 HG23 THR A 70 6.031 12.413 4.497 1.00 44.20 H new ATOM 1037 N THR A 71 7.943 12.522 7.239 1.00 64.41 N ATOM 1038 CA THR A 71 7.956 11.951 8.550 1.00 3.22 C ATOM 1039 C THR A 71 6.902 10.870 8.675 1.00 1.35 C ATOM 1040 O THR A 71 5.795 11.002 8.156 1.00 63.52 O ATOM 1041 CB THR A 71 7.691 13.022 9.611 1.00 50.01 C ATOM 1042 OG1 THR A 71 6.676 13.923 9.152 1.00 42.03 O ATOM 1043 CG2 THR A 71 8.934 13.778 9.941 1.00 33.11 C ATOM 0 H THR A 71 7.099 13.057 7.035 1.00 64.41 H new ATOM 0 HA THR A 71 8.943 11.518 8.709 1.00 3.22 H new ATOM 0 HB THR A 71 7.350 12.523 10.518 1.00 50.01 H new ATOM 0 HG1 THR A 71 6.510 14.605 9.836 1.00 42.03 H new ATOM 0 HG21 THR A 71 8.712 14.531 10.697 1.00 33.11 H new ATOM 0 HG22 THR A 71 9.687 13.090 10.324 1.00 33.11 H new ATOM 0 HG23 THR A 71 9.312 14.266 9.043 1.00 33.11 H new ATOM 1051 N VAL A 72 7.242 9.824 9.355 1.00 14.30 N ATOM 1052 CA VAL A 72 6.349 8.736 9.614 1.00 71.22 C ATOM 1053 C VAL A 72 6.254 8.562 11.120 1.00 73.34 C ATOM 1054 O VAL A 72 7.267 8.392 11.800 1.00 71.31 O ATOM 1055 CB VAL A 72 6.828 7.425 8.932 1.00 54.03 C ATOM 1056 CG1 VAL A 72 6.817 7.576 7.419 1.00 52.52 C ATOM 1057 CG2 VAL A 72 8.224 7.060 9.383 1.00 62.05 C ATOM 0 H VAL A 72 8.171 9.697 9.757 1.00 14.30 H new ATOM 0 HA VAL A 72 5.368 8.960 9.195 1.00 71.22 H new ATOM 0 HB VAL A 72 6.140 6.631 9.224 1.00 54.03 H new ATOM 0 HG11 VAL A 72 7.155 6.648 6.958 1.00 52.52 H new ATOM 0 HG12 VAL A 72 5.804 7.800 7.083 1.00 52.52 H new ATOM 0 HG13 VAL A 72 7.483 8.389 7.130 1.00 52.52 H new ATOM 0 HG21 VAL A 72 8.536 6.139 8.891 1.00 62.05 H new ATOM 0 HG22 VAL A 72 8.913 7.863 9.120 1.00 62.05 H new ATOM 0 HG23 VAL A 72 8.231 6.915 10.463 1.00 62.05 H new ATOM 1067 N ASN A 73 5.058 8.707 11.650 1.00 51.31 N ATOM 1068 CA ASN A 73 4.808 8.654 13.090 1.00 64.32 C ATOM 1069 C ASN A 73 5.683 9.666 13.812 1.00 10.14 C ATOM 1070 O ASN A 73 6.208 9.403 14.906 1.00 61.03 O ATOM 1071 CB ASN A 73 4.971 7.236 13.655 1.00 32.54 C ATOM 1072 CG ASN A 73 3.875 6.309 13.181 1.00 61.10 C ATOM 1073 OD1 ASN A 73 2.749 6.738 12.936 1.00 72.24 O ATOM 1074 ND2 ASN A 73 4.183 5.058 13.042 1.00 54.22 N ATOM 0 H ASN A 73 4.218 8.867 11.094 1.00 51.31 H new ATOM 0 HA ASN A 73 3.766 8.925 13.263 1.00 64.32 H new ATOM 0 HB2 ASN A 73 5.940 6.835 13.356 1.00 32.54 H new ATOM 0 HB3 ASN A 73 4.966 7.277 14.744 1.00 32.54 H new ATOM 0 HD21 ASN A 73 3.480 4.393 12.720 1.00 54.22 H new ATOM 0 HD22 ASN A 73 5.128 4.739 13.255 1.00 54.22 H new ATOM 1081 N ASN A 74 5.863 10.817 13.122 1.00 10.21 N ATOM 1082 CA ASN A 74 6.604 11.999 13.589 1.00 34.14 C ATOM 1083 C ASN A 74 8.139 11.821 13.421 1.00 31.24 C ATOM 1084 O ASN A 74 8.920 12.737 13.668 1.00 13.10 O ATOM 1085 CB ASN A 74 6.222 12.359 15.044 1.00 75.54 C ATOM 1086 CG ASN A 74 6.760 13.690 15.529 1.00 21.53 C ATOM 1087 OD1 ASN A 74 6.862 14.659 14.777 1.00 3.22 O ATOM 1088 ND2 ASN A 74 7.105 13.750 16.784 1.00 53.20 N ATOM 0 H ASN A 74 5.477 10.946 12.187 1.00 10.21 H new ATOM 0 HA ASN A 74 6.314 12.839 12.958 1.00 34.14 H new ATOM 0 HB2 ASN A 74 5.135 12.369 15.128 1.00 75.54 H new ATOM 0 HB3 ASN A 74 6.585 11.573 15.706 1.00 75.54 H new ATOM 0 HD21 ASN A 74 7.473 14.619 17.171 1.00 53.20 H new ATOM 0 HD22 ASN A 74 7.007 12.928 17.380 1.00 53.20 H new ATOM 1095 N ALA A 75 8.562 10.659 12.959 1.00 71.15 N ATOM 1096 CA ALA A 75 9.980 10.378 12.775 1.00 63.22 C ATOM 1097 C ALA A 75 10.383 10.550 11.302 1.00 75.23 C ATOM 1098 O ALA A 75 9.777 9.940 10.423 1.00 51.13 O ATOM 1099 CB ALA A 75 10.296 8.963 13.245 1.00 3.22 C ATOM 0 H ALA A 75 7.944 9.889 12.702 1.00 71.15 H new ATOM 0 HA ALA A 75 10.553 11.088 13.371 1.00 63.22 H new ATOM 0 HB1 ALA A 75 11.358 8.761 13.104 1.00 3.22 H new ATOM 0 HB2 ALA A 75 10.045 8.866 14.301 1.00 3.22 H new ATOM 0 HB3 ALA A 75 9.711 8.248 12.666 1.00 3.22 H new ATOM 1105 N PRO A 76 11.369 11.415 11.001 1.00 63.14 N ATOM 1106 CA PRO A 76 11.867 11.605 9.630 1.00 14.42 C ATOM 1107 C PRO A 76 12.713 10.415 9.189 1.00 21.44 C ATOM 1108 O PRO A 76 13.678 10.042 9.866 1.00 13.11 O ATOM 1109 CB PRO A 76 12.743 12.869 9.725 1.00 75.24 C ATOM 1110 CG PRO A 76 12.507 13.427 11.091 1.00 45.50 C ATOM 1111 CD PRO A 76 12.075 12.280 11.949 1.00 13.41 C ATOM 0 HA PRO A 76 11.059 11.697 8.904 1.00 14.42 H new ATOM 0 HB2 PRO A 76 13.796 12.627 9.578 1.00 75.24 H new ATOM 0 HB3 PRO A 76 12.472 13.592 8.955 1.00 75.24 H new ATOM 0 HG2 PRO A 76 13.414 13.886 11.485 1.00 45.50 H new ATOM 0 HG3 PRO A 76 11.742 14.203 11.066 1.00 45.50 H new ATOM 0 HD2 PRO A 76 12.925 11.772 12.404 1.00 13.41 H new ATOM 0 HD3 PRO A 76 11.425 12.605 12.762 1.00 13.41 H new ATOM 1119 N VAL A 77 12.362 9.821 8.070 1.00 63.23 N ATOM 1120 CA VAL A 77 13.052 8.641 7.567 1.00 1.32 C ATOM 1121 C VAL A 77 13.145 8.708 6.058 1.00 31.25 C ATOM 1122 O VAL A 77 12.580 9.611 5.434 1.00 62.43 O ATOM 1123 CB VAL A 77 12.298 7.318 7.925 1.00 72.21 C ATOM 1124 CG1 VAL A 77 12.195 7.092 9.429 1.00 61.43 C ATOM 1125 CG2 VAL A 77 10.919 7.301 7.278 1.00 52.01 C ATOM 0 H VAL A 77 11.592 10.137 7.480 1.00 63.23 H new ATOM 0 HA VAL A 77 14.037 8.631 8.033 1.00 1.32 H new ATOM 0 HB VAL A 77 12.888 6.493 7.525 1.00 72.21 H new ATOM 0 HG11 VAL A 77 11.663 6.160 9.621 1.00 61.43 H new ATOM 0 HG12 VAL A 77 13.196 7.034 9.858 1.00 61.43 H new ATOM 0 HG13 VAL A 77 11.653 7.920 9.885 1.00 61.43 H new ATOM 0 HG21 VAL A 77 10.407 6.374 7.537 1.00 52.01 H new ATOM 0 HG22 VAL A 77 10.337 8.149 7.639 1.00 52.01 H new ATOM 0 HG23 VAL A 77 11.024 7.367 6.195 1.00 52.01 H new ATOM 1135 N GLN A 78 13.854 7.764 5.489 1.00 62.02 N ATOM 1136 CA GLN A 78 13.907 7.608 4.066 1.00 51.32 C ATOM 1137 C GLN A 78 13.128 6.370 3.661 1.00 15.41 C ATOM 1138 O GLN A 78 12.564 6.313 2.571 1.00 31.40 O ATOM 1139 CB GLN A 78 15.332 7.561 3.548 1.00 44.23 C ATOM 1140 CG GLN A 78 16.093 8.844 3.796 1.00 31.25 C ATOM 1141 CD GLN A 78 17.450 8.858 3.151 1.00 32.44 C ATOM 1142 OE1 GLN A 78 17.668 8.235 2.112 1.00 33.45 O ATOM 1143 NE2 GLN A 78 18.363 9.566 3.738 1.00 11.04 N ATOM 0 H GLN A 78 14.410 7.083 6.006 1.00 62.02 H new ATOM 0 HA GLN A 78 13.445 8.483 3.609 1.00 51.32 H new ATOM 0 HB2 GLN A 78 15.859 6.734 4.025 1.00 44.23 H new ATOM 0 HB3 GLN A 78 15.317 7.355 2.478 1.00 44.23 H new ATOM 0 HG2 GLN A 78 15.510 9.684 3.419 1.00 31.25 H new ATOM 0 HG3 GLN A 78 16.206 8.991 4.870 1.00 31.25 H new ATOM 0 HE21 GLN A 78 18.144 10.069 4.598 1.00 11.04 H new ATOM 0 HE22 GLN A 78 19.300 9.621 3.340 1.00 11.04 H new ATOM 1152 N GLU A 79 13.103 5.371 4.532 1.00 74.21 N ATOM 1153 CA GLU A 79 12.285 4.200 4.310 1.00 54.02 C ATOM 1154 C GLU A 79 11.746 3.658 5.625 1.00 63.52 C ATOM 1155 O GLU A 79 12.398 3.759 6.672 1.00 2.52 O ATOM 1156 CB GLU A 79 12.977 3.120 3.458 1.00 53.22 C ATOM 1157 CG GLU A 79 14.233 2.506 4.036 1.00 73.35 C ATOM 1158 CD GLU A 79 14.805 1.472 3.098 1.00 10.43 C ATOM 1159 OE1 GLU A 79 14.358 0.314 3.128 1.00 44.44 O ATOM 1160 OE2 GLU A 79 15.704 1.818 2.284 1.00 4.24 O ATOM 0 H GLU A 79 13.642 5.353 5.398 1.00 74.21 H new ATOM 0 HA GLU A 79 11.433 4.519 3.710 1.00 54.02 H new ATOM 0 HB2 GLU A 79 12.260 2.320 3.273 1.00 53.22 H new ATOM 0 HB3 GLU A 79 13.225 3.556 2.490 1.00 53.22 H new ATOM 0 HG2 GLU A 79 14.973 3.285 4.220 1.00 73.35 H new ATOM 0 HG3 GLU A 79 14.009 2.046 4.998 1.00 73.35 H new ATOM 1167 N TRP A 80 10.565 3.121 5.559 1.00 25.40 N ATOM 1168 CA TRP A 80 9.816 2.659 6.708 1.00 3.23 C ATOM 1169 C TRP A 80 8.862 1.596 6.236 1.00 64.12 C ATOM 1170 O TRP A 80 8.497 1.582 5.071 1.00 52.04 O ATOM 1171 CB TRP A 80 9.047 3.882 7.274 1.00 13.54 C ATOM 1172 CG TRP A 80 7.991 3.644 8.327 1.00 71.15 C ATOM 1173 CD1 TRP A 80 6.661 3.423 8.112 1.00 72.42 C ATOM 1174 CD2 TRP A 80 8.160 3.686 9.746 1.00 4.31 C ATOM 1175 NE1 TRP A 80 6.002 3.304 9.304 1.00 54.44 N ATOM 1176 CE2 TRP A 80 6.898 3.462 10.324 1.00 1.10 C ATOM 1177 CE3 TRP A 80 9.254 3.887 10.587 1.00 13.33 C ATOM 1178 CZ2 TRP A 80 6.704 3.433 11.696 1.00 44.34 C ATOM 1179 CZ3 TRP A 80 9.052 3.860 11.952 1.00 43.40 C ATOM 1180 CH2 TRP A 80 7.786 3.635 12.491 1.00 5.43 C ATOM 0 H TRP A 80 10.072 2.984 4.677 1.00 25.40 H new ATOM 0 HA TRP A 80 10.456 2.240 7.485 1.00 3.23 H new ATOM 0 HB2 TRP A 80 9.781 4.572 7.691 1.00 13.54 H new ATOM 0 HB3 TRP A 80 8.571 4.391 6.436 1.00 13.54 H new ATOM 0 HD1 TRP A 80 6.196 3.352 7.140 1.00 72.42 H new ATOM 0 HE1 TRP A 80 5.004 3.126 9.414 1.00 54.44 H new ATOM 0 HE3 TRP A 80 10.239 4.060 10.179 1.00 13.33 H new ATOM 0 HZ2 TRP A 80 5.726 3.256 12.118 1.00 44.34 H new ATOM 0 HZ3 TRP A 80 9.890 4.016 12.615 1.00 43.40 H new ATOM 0 HH2 TRP A 80 7.663 3.621 13.564 1.00 5.43 H new ATOM 1191 N GLN A 81 8.502 0.685 7.075 1.00 30.01 N ATOM 1192 CA GLN A 81 7.505 -0.261 6.681 1.00 73.24 C ATOM 1193 C GLN A 81 6.196 0.050 7.367 1.00 73.32 C ATOM 1194 O GLN A 81 6.100 0.050 8.595 1.00 3.12 O ATOM 1195 CB GLN A 81 7.953 -1.721 6.815 1.00 43.14 C ATOM 1196 CG GLN A 81 8.428 -2.161 8.182 1.00 21.24 C ATOM 1197 CD GLN A 81 8.834 -3.618 8.171 1.00 74.34 C ATOM 1198 OE1 GLN A 81 8.298 -4.425 7.406 1.00 50.23 O ATOM 1199 NE2 GLN A 81 9.762 -3.974 8.996 1.00 20.55 N ATOM 0 H GLN A 81 8.871 0.572 8.019 1.00 30.01 H new ATOM 0 HA GLN A 81 7.344 -0.150 5.609 1.00 73.24 H new ATOM 0 HB2 GLN A 81 7.121 -2.361 6.521 1.00 43.14 H new ATOM 0 HB3 GLN A 81 8.758 -1.897 6.102 1.00 43.14 H new ATOM 0 HG2 GLN A 81 9.273 -1.547 8.493 1.00 21.24 H new ATOM 0 HG3 GLN A 81 7.635 -2.006 8.914 1.00 21.24 H new ATOM 0 HE21 GLN A 81 10.186 -3.284 9.616 1.00 20.55 H new ATOM 0 HE22 GLN A 81 10.071 -4.946 9.028 1.00 20.55 H new ATOM 1208 N LEU A 82 5.220 0.383 6.548 1.00 13.35 N ATOM 1209 CA LEU A 82 3.891 0.836 6.976 1.00 11.13 C ATOM 1210 C LEU A 82 3.169 -0.153 7.891 1.00 65.12 C ATOM 1211 O LEU A 82 3.344 -1.379 7.784 1.00 12.35 O ATOM 1212 CB LEU A 82 3.005 1.017 5.743 1.00 3.41 C ATOM 1213 CG LEU A 82 3.464 2.031 4.715 1.00 12.41 C ATOM 1214 CD1 LEU A 82 2.449 2.158 3.599 1.00 75.51 C ATOM 1215 CD2 LEU A 82 3.695 3.358 5.373 1.00 13.31 C ATOM 0 H LEU A 82 5.322 0.349 5.534 1.00 13.35 H new ATOM 0 HA LEU A 82 4.053 1.762 7.528 1.00 11.13 H new ATOM 0 HB2 LEU A 82 2.910 0.051 5.248 1.00 3.41 H new ATOM 0 HB3 LEU A 82 2.008 1.302 6.080 1.00 3.41 H new ATOM 0 HG LEU A 82 4.402 1.688 4.280 1.00 12.41 H new ATOM 0 HD11 LEU A 82 2.798 2.891 2.872 1.00 75.51 H new ATOM 0 HD12 LEU A 82 2.324 1.192 3.109 1.00 75.51 H new ATOM 0 HD13 LEU A 82 1.494 2.482 4.011 1.00 75.51 H new ATOM 0 HD21 LEU A 82 4.025 4.081 4.627 1.00 13.31 H new ATOM 0 HD22 LEU A 82 2.768 3.704 5.829 1.00 13.31 H new ATOM 0 HD23 LEU A 82 4.461 3.255 6.142 1.00 13.31 H new ATOM 1227 N ALA A 83 2.377 0.392 8.781 1.00 60.31 N ATOM 1228 CA ALA A 83 1.460 -0.354 9.607 1.00 23.24 C ATOM 1229 C ALA A 83 0.142 0.402 9.621 1.00 55.35 C ATOM 1230 O ALA A 83 0.100 1.594 9.276 1.00 42.51 O ATOM 1231 CB ALA A 83 1.992 -0.521 11.023 1.00 1.35 C ATOM 0 H ALA A 83 2.352 1.397 8.956 1.00 60.31 H new ATOM 0 HA ALA A 83 1.329 -1.357 9.200 1.00 23.24 H new ATOM 0 HB1 ALA A 83 1.275 -1.088 11.617 1.00 1.35 H new ATOM 0 HB2 ALA A 83 2.942 -1.055 10.994 1.00 1.35 H new ATOM 0 HB3 ALA A 83 2.141 0.460 11.474 1.00 1.35 H new ATOM 1237 N ASP A 84 -0.929 -0.264 9.976 1.00 62.04 N ATOM 1238 CA ASP A 84 -2.235 0.381 10.018 1.00 31.23 C ATOM 1239 C ASP A 84 -2.310 1.354 11.182 1.00 34.24 C ATOM 1240 O ASP A 84 -2.115 0.976 12.346 1.00 41.23 O ATOM 1241 CB ASP A 84 -3.368 -0.649 10.088 1.00 22.14 C ATOM 1242 CG ASP A 84 -4.739 -0.022 10.262 1.00 4.35 C ATOM 1243 OD1 ASP A 84 -5.341 0.454 9.279 1.00 11.41 O ATOM 1244 OD2 ASP A 84 -5.253 -0.016 11.383 1.00 10.52 O ATOM 0 H ASP A 84 -0.931 -1.249 10.241 1.00 62.04 H new ATOM 0 HA ASP A 84 -2.362 0.942 9.092 1.00 31.23 H new ATOM 0 HB2 ASP A 84 -3.363 -1.247 9.177 1.00 22.14 H new ATOM 0 HB3 ASP A 84 -3.180 -1.330 10.918 1.00 22.14 H new ATOM 1249 N GLY A 85 -2.560 2.592 10.857 1.00 71.12 N ATOM 1250 CA GLY A 85 -2.663 3.637 11.828 1.00 33.43 C ATOM 1251 C GLY A 85 -1.420 4.517 11.859 1.00 1.23 C ATOM 1252 O GLY A 85 -1.238 5.308 12.788 1.00 65.50 O ATOM 0 H GLY A 85 -2.699 2.904 9.896 1.00 71.12 H new ATOM 0 HA2 GLY A 85 -3.536 4.251 11.607 1.00 33.43 H new ATOM 0 HA3 GLY A 85 -2.822 3.200 12.814 1.00 33.43 H new ATOM 1256 N ASP A 86 -0.540 4.363 10.875 1.00 33.03 N ATOM 1257 CA ASP A 86 0.664 5.205 10.808 1.00 64.45 C ATOM 1258 C ASP A 86 0.331 6.604 10.359 1.00 21.34 C ATOM 1259 O ASP A 86 -0.456 6.800 9.413 1.00 43.34 O ATOM 1260 CB ASP A 86 1.789 4.613 9.925 1.00 34.45 C ATOM 1261 CG ASP A 86 2.554 3.483 10.587 1.00 34.15 C ATOM 1262 OD1 ASP A 86 2.462 3.328 11.830 1.00 20.02 O ATOM 1263 OD2 ASP A 86 3.302 2.754 9.883 1.00 1.44 O ATOM 0 H ASP A 86 -0.628 3.679 10.123 1.00 33.03 H new ATOM 0 HA ASP A 86 1.051 5.238 11.826 1.00 64.45 H new ATOM 0 HB2 ASP A 86 1.354 4.249 8.994 1.00 34.45 H new ATOM 0 HB3 ASP A 86 2.488 5.407 9.661 1.00 34.45 H new ATOM 1268 N VAL A 87 0.899 7.571 11.045 1.00 33.45 N ATOM 1269 CA VAL A 87 0.688 8.971 10.735 1.00 14.32 C ATOM 1270 C VAL A 87 1.838 9.442 9.893 1.00 21.51 C ATOM 1271 O VAL A 87 2.952 9.523 10.364 1.00 64.40 O ATOM 1272 CB VAL A 87 0.622 9.847 12.023 1.00 75.51 C ATOM 1273 CG1 VAL A 87 0.269 11.297 11.687 1.00 74.41 C ATOM 1274 CG2 VAL A 87 -0.364 9.269 13.025 1.00 40.35 C ATOM 0 H VAL A 87 1.522 7.410 11.836 1.00 33.45 H new ATOM 0 HA VAL A 87 -0.263 9.070 10.211 1.00 14.32 H new ATOM 0 HB VAL A 87 1.612 9.840 12.480 1.00 75.51 H new ATOM 0 HG11 VAL A 87 0.230 11.884 12.605 1.00 74.41 H new ATOM 0 HG12 VAL A 87 1.027 11.712 11.023 1.00 74.41 H new ATOM 0 HG13 VAL A 87 -0.702 11.330 11.194 1.00 74.41 H new ATOM 0 HG21 VAL A 87 -0.391 9.899 13.914 1.00 40.35 H new ATOM 0 HG22 VAL A 87 -1.357 9.231 12.577 1.00 40.35 H new ATOM 0 HG23 VAL A 87 -0.052 8.262 13.303 1.00 40.35 H new ATOM 1284 N ILE A 88 1.588 9.759 8.676 1.00 22.12 N ATOM 1285 CA ILE A 88 2.657 10.144 7.808 1.00 34.33 C ATOM 1286 C ILE A 88 2.465 11.572 7.327 1.00 53.03 C ATOM 1287 O ILE A 88 1.403 11.933 6.822 1.00 74.24 O ATOM 1288 CB ILE A 88 2.810 9.134 6.630 1.00 42.22 C ATOM 1289 CG1 ILE A 88 3.117 7.724 7.206 1.00 73.03 C ATOM 1290 CG2 ILE A 88 3.888 9.588 5.648 1.00 74.25 C ATOM 1291 CD1 ILE A 88 3.377 6.639 6.177 1.00 50.53 C ATOM 0 H ILE A 88 0.660 9.762 8.252 1.00 22.12 H new ATOM 0 HA ILE A 88 3.592 10.116 8.368 1.00 34.33 H new ATOM 0 HB ILE A 88 1.876 9.090 6.070 1.00 42.22 H new ATOM 0 HG12 ILE A 88 3.988 7.799 7.857 1.00 73.03 H new ATOM 0 HG13 ILE A 88 2.278 7.415 7.830 1.00 73.03 H new ATOM 0 HG21 ILE A 88 3.971 8.863 4.838 1.00 74.25 H new ATOM 0 HG22 ILE A 88 3.620 10.562 5.238 1.00 74.25 H new ATOM 0 HG23 ILE A 88 4.844 9.664 6.166 1.00 74.25 H new ATOM 0 HD11 ILE A 88 3.580 5.697 6.685 1.00 50.53 H new ATOM 0 HD12 ILE A 88 2.501 6.525 5.539 1.00 50.53 H new ATOM 0 HD13 ILE A 88 4.237 6.915 5.567 1.00 50.53 H new ATOM 1303 N ARG A 89 3.471 12.395 7.535 1.00 25.40 N ATOM 1304 CA ARG A 89 3.417 13.769 7.127 1.00 72.04 C ATOM 1305 C ARG A 89 4.374 14.037 6.004 1.00 1.34 C ATOM 1306 O ARG A 89 5.590 13.930 6.168 1.00 34.14 O ATOM 1307 CB ARG A 89 3.680 14.739 8.275 1.00 15.33 C ATOM 1308 CG ARG A 89 2.588 14.778 9.313 1.00 51.33 C ATOM 1309 CD ARG A 89 2.745 15.986 10.212 1.00 43.33 C ATOM 1310 NE ARG A 89 1.525 16.239 10.980 1.00 22.12 N ATOM 1311 CZ ARG A 89 0.629 17.200 10.686 1.00 42.32 C ATOM 1312 NH1 ARG A 89 0.822 18.017 9.639 1.00 10.22 N ATOM 1313 NH2 ARG A 89 -0.466 17.325 11.428 1.00 35.20 N ATOM 0 H ARG A 89 4.343 12.125 7.990 1.00 25.40 H new ATOM 0 HA ARG A 89 2.398 13.941 6.781 1.00 72.04 H new ATOM 0 HB2 ARG A 89 4.617 14.465 8.760 1.00 15.33 H new ATOM 0 HB3 ARG A 89 3.813 15.741 7.866 1.00 15.33 H new ATOM 0 HG2 ARG A 89 1.615 14.808 8.823 1.00 51.33 H new ATOM 0 HG3 ARG A 89 2.616 13.867 9.911 1.00 51.33 H new ATOM 0 HD2 ARG A 89 3.581 15.828 10.894 1.00 43.33 H new ATOM 0 HD3 ARG A 89 2.986 16.862 9.609 1.00 43.33 H new ATOM 0 HE ARG A 89 1.342 15.649 11.791 1.00 22.12 H new ATOM 0 HH11 ARG A 89 1.654 17.913 9.057 1.00 10.22 H new ATOM 0 HH12 ARG A 89 0.137 18.742 9.425 1.00 10.22 H new ATOM 0 HH21 ARG A 89 -0.624 16.695 12.215 1.00 35.20 H new ATOM 0 HH22 ARG A 89 -1.149 18.051 11.211 1.00 35.20 H new ATOM 1327 N LEU A 90 3.823 14.375 4.888 1.00 61.31 N ATOM 1328 CA LEU A 90 4.557 14.724 3.705 1.00 31.21 C ATOM 1329 C LEU A 90 4.270 16.174 3.351 1.00 12.44 C ATOM 1330 O LEU A 90 3.383 16.780 3.961 1.00 55.42 O ATOM 1331 CB LEU A 90 4.340 13.750 2.505 1.00 54.13 C ATOM 1332 CG LEU A 90 2.910 13.429 2.043 1.00 33.34 C ATOM 1333 CD1 LEU A 90 2.957 12.846 0.645 1.00 34.14 C ATOM 1334 CD2 LEU A 90 2.261 12.403 2.968 1.00 61.24 C ATOM 0 H LEU A 90 2.812 14.420 4.763 1.00 61.31 H new ATOM 0 HA LEU A 90 5.618 14.614 3.929 1.00 31.21 H new ATOM 0 HB2 LEU A 90 4.876 14.161 1.649 1.00 54.13 H new ATOM 0 HB3 LEU A 90 4.821 12.806 2.759 1.00 54.13 H new ATOM 0 HG LEU A 90 2.327 14.350 2.060 1.00 33.34 H new ATOM 0 HD11 LEU A 90 1.945 12.616 0.312 1.00 34.14 H new ATOM 0 HD12 LEU A 90 3.408 13.568 -0.036 1.00 34.14 H new ATOM 0 HD13 LEU A 90 3.553 11.933 0.651 1.00 34.14 H new ATOM 0 HD21 LEU A 90 1.249 12.190 2.623 1.00 61.24 H new ATOM 0 HD22 LEU A 90 2.848 11.484 2.961 1.00 61.24 H new ATOM 0 HD23 LEU A 90 2.222 12.801 3.982 1.00 61.24 H new ATOM 1346 N GLY A 91 5.086 16.742 2.470 1.00 34.34 N ATOM 1347 CA GLY A 91 5.001 18.157 2.064 1.00 42.24 C ATOM 1348 C GLY A 91 3.580 18.679 1.856 1.00 2.21 C ATOM 1349 O GLY A 91 2.942 18.396 0.838 1.00 42.43 O ATOM 0 H GLY A 91 5.839 16.233 2.006 1.00 34.34 H new ATOM 0 HA2 GLY A 91 5.490 18.768 2.822 1.00 42.24 H new ATOM 0 HA3 GLY A 91 5.561 18.289 1.138 1.00 42.24 H new ATOM 1353 N HIS A 92 3.093 19.394 2.876 1.00 12.34 N ATOM 1354 CA HIS A 92 1.766 20.035 2.918 1.00 71.15 C ATOM 1355 C HIS A 92 0.615 19.034 2.909 1.00 45.10 C ATOM 1356 O HIS A 92 -0.544 19.416 2.782 1.00 2.42 O ATOM 1357 CB HIS A 92 1.584 21.086 1.807 1.00 43.10 C ATOM 1358 CG HIS A 92 2.540 22.239 1.883 1.00 20.33 C ATOM 1359 ND1 HIS A 92 3.094 22.841 0.785 1.00 63.24 N ATOM 1360 CD2 HIS A 92 3.019 22.912 2.955 1.00 73.05 C ATOM 1361 CE1 HIS A 92 3.875 23.833 1.198 1.00 15.23 C ATOM 1362 NE2 HIS A 92 3.869 23.923 2.519 1.00 64.44 N ATOM 0 H HIS A 92 3.630 19.550 3.729 1.00 12.34 H new ATOM 0 HA HIS A 92 1.731 20.553 3.876 1.00 71.15 H new ATOM 0 HB2 HIS A 92 1.699 20.598 0.839 1.00 43.10 H new ATOM 0 HB3 HIS A 92 0.565 21.471 1.851 1.00 43.10 H new ATOM 0 HD1 HIS A 92 2.934 22.573 -0.186 1.00 63.24 H new ATOM 0 HD2 HIS A 92 2.779 22.698 3.986 1.00 73.05 H new ATOM 0 HE1 HIS A 92 4.440 24.480 0.543 1.00 15.23 H new ATOM 1370 N SER A 93 0.914 17.777 3.084 1.00 64.33 N ATOM 1371 CA SER A 93 -0.099 16.760 3.098 1.00 53.30 C ATOM 1372 C SER A 93 0.159 15.733 4.190 1.00 53.40 C ATOM 1373 O SER A 93 1.184 15.074 4.204 1.00 52.21 O ATOM 1374 CB SER A 93 -0.175 16.058 1.747 1.00 71.41 C ATOM 1375 OG SER A 93 -0.510 16.970 0.704 1.00 14.54 O ATOM 0 H SER A 93 1.863 17.430 3.220 1.00 64.33 H new ATOM 0 HA SER A 93 -1.050 17.252 3.303 1.00 53.30 H new ATOM 0 HB2 SER A 93 0.783 15.586 1.526 1.00 71.41 H new ATOM 0 HB3 SER A 93 -0.919 15.263 1.790 1.00 71.41 H new ATOM 0 HG SER A 93 -1.003 16.497 0.002 1.00 14.54 H new ATOM 1381 N GLU A 94 -0.736 15.629 5.109 1.00 23.13 N ATOM 1382 CA GLU A 94 -0.661 14.586 6.091 1.00 73.30 C ATOM 1383 C GLU A 94 -1.619 13.468 5.734 1.00 65.25 C ATOM 1384 O GLU A 94 -2.710 13.717 5.191 1.00 75.11 O ATOM 1385 CB GLU A 94 -0.766 15.096 7.552 1.00 65.42 C ATOM 1386 CG GLU A 94 -1.803 16.182 7.859 1.00 2.12 C ATOM 1387 CD GLU A 94 -3.226 15.803 7.598 1.00 13.33 C ATOM 1388 OE1 GLU A 94 -3.733 14.851 8.223 1.00 1.24 O ATOM 1389 OE2 GLU A 94 -3.872 16.462 6.758 1.00 71.43 O ATOM 0 H GLU A 94 -1.536 16.254 5.208 1.00 23.13 H new ATOM 0 HA GLU A 94 0.343 14.162 6.062 1.00 73.30 H new ATOM 0 HB2 GLU A 94 -0.980 14.239 8.191 1.00 65.42 H new ATOM 0 HB3 GLU A 94 0.213 15.476 7.845 1.00 65.42 H new ATOM 0 HG2 GLU A 94 -1.707 16.466 8.907 1.00 2.12 H new ATOM 0 HG3 GLU A 94 -1.565 17.065 7.266 1.00 2.12 H new ATOM 1396 N ILE A 95 -1.213 12.256 5.964 1.00 54.04 N ATOM 1397 CA ILE A 95 -1.971 11.120 5.527 1.00 51.12 C ATOM 1398 C ILE A 95 -1.965 10.031 6.628 1.00 22.31 C ATOM 1399 O ILE A 95 -1.010 9.951 7.423 1.00 22.11 O ATOM 1400 CB ILE A 95 -1.339 10.573 4.194 1.00 45.44 C ATOM 1401 CG1 ILE A 95 -2.315 9.730 3.406 1.00 75.53 C ATOM 1402 CG2 ILE A 95 -0.043 9.803 4.431 1.00 41.44 C ATOM 1403 CD1 ILE A 95 -3.418 10.540 2.768 1.00 64.22 C ATOM 0 H ILE A 95 -0.351 12.026 6.458 1.00 54.04 H new ATOM 0 HA ILE A 95 -3.006 11.407 5.340 1.00 51.12 H new ATOM 0 HB ILE A 95 -1.095 11.454 3.601 1.00 45.44 H new ATOM 0 HG12 ILE A 95 -1.774 9.189 2.629 1.00 75.53 H new ATOM 0 HG13 ILE A 95 -2.756 8.983 4.066 1.00 75.53 H new ATOM 0 HG21 ILE A 95 0.349 9.449 3.478 1.00 41.44 H new ATOM 0 HG22 ILE A 95 0.689 10.459 4.903 1.00 41.44 H new ATOM 0 HG23 ILE A 95 -0.240 8.951 5.082 1.00 41.44 H new ATOM 0 HD11 ILE A 95 -4.085 9.877 2.217 1.00 64.22 H new ATOM 0 HD12 ILE A 95 -3.982 11.060 3.542 1.00 64.22 H new ATOM 0 HD13 ILE A 95 -2.985 11.269 2.083 1.00 64.22 H new ATOM 1415 N ILE A 96 -3.032 9.251 6.720 1.00 54.40 N ATOM 1416 CA ILE A 96 -3.084 8.160 7.674 1.00 64.20 C ATOM 1417 C ILE A 96 -3.078 6.864 6.905 1.00 61.33 C ATOM 1418 O ILE A 96 -3.804 6.719 5.940 1.00 60.41 O ATOM 1419 CB ILE A 96 -4.349 8.232 8.586 1.00 14.34 C ATOM 1420 CG1 ILE A 96 -4.354 9.526 9.410 1.00 21.03 C ATOM 1421 CG2 ILE A 96 -4.461 7.010 9.507 1.00 25.30 C ATOM 1422 CD1 ILE A 96 -3.177 9.677 10.357 1.00 64.02 C ATOM 0 H ILE A 96 -3.869 9.355 6.147 1.00 54.40 H new ATOM 0 HA ILE A 96 -2.217 8.229 8.331 1.00 64.20 H new ATOM 0 HB ILE A 96 -5.219 8.231 7.930 1.00 14.34 H new ATOM 0 HG12 ILE A 96 -4.366 10.376 8.727 1.00 21.03 H new ATOM 0 HG13 ILE A 96 -5.277 9.569 9.989 1.00 21.03 H new ATOM 0 HG21 ILE A 96 -5.355 7.100 10.124 1.00 25.30 H new ATOM 0 HG22 ILE A 96 -4.527 6.105 8.904 1.00 25.30 H new ATOM 0 HG23 ILE A 96 -3.581 6.956 10.148 1.00 25.30 H new ATOM 0 HD11 ILE A 96 -3.263 10.620 10.897 1.00 64.02 H new ATOM 0 HD12 ILE A 96 -3.173 8.850 11.068 1.00 64.02 H new ATOM 0 HD13 ILE A 96 -2.248 9.670 9.787 1.00 64.02 H new ATOM 1434 N VAL A 97 -2.242 5.963 7.288 1.00 70.43 N ATOM 1435 CA VAL A 97 -2.157 4.690 6.620 1.00 44.41 C ATOM 1436 C VAL A 97 -3.150 3.716 7.220 1.00 10.04 C ATOM 1437 O VAL A 97 -3.213 3.553 8.424 1.00 43.42 O ATOM 1438 CB VAL A 97 -0.730 4.124 6.696 1.00 3.03 C ATOM 1439 CG1 VAL A 97 -0.650 2.754 6.050 1.00 15.41 C ATOM 1440 CG2 VAL A 97 0.219 5.075 6.013 1.00 32.11 C ATOM 0 H VAL A 97 -1.596 6.077 8.069 1.00 70.43 H new ATOM 0 HA VAL A 97 -2.404 4.837 5.569 1.00 44.41 H new ATOM 0 HB VAL A 97 -0.452 4.016 7.744 1.00 3.03 H new ATOM 0 HG11 VAL A 97 0.371 2.378 6.119 1.00 15.41 H new ATOM 0 HG12 VAL A 97 -1.324 2.069 6.565 1.00 15.41 H new ATOM 0 HG13 VAL A 97 -0.939 2.829 5.002 1.00 15.41 H new ATOM 0 HG21 VAL A 97 1.233 4.677 6.065 1.00 32.11 H new ATOM 0 HG22 VAL A 97 -0.072 5.192 4.969 1.00 32.11 H new ATOM 0 HG23 VAL A 97 0.184 6.044 6.511 1.00 32.11 H new ATOM 1450 N ARG A 98 -3.933 3.109 6.385 1.00 11.20 N ATOM 1451 CA ARG A 98 -4.929 2.163 6.791 1.00 60.23 C ATOM 1452 C ARG A 98 -4.714 0.875 6.052 1.00 74.25 C ATOM 1453 O ARG A 98 -4.143 0.859 4.964 1.00 2.34 O ATOM 1454 CB ARG A 98 -6.318 2.714 6.485 1.00 14.55 C ATOM 1455 CG ARG A 98 -6.648 4.016 7.200 1.00 22.11 C ATOM 1456 CD ARG A 98 -7.378 3.827 8.529 1.00 12.21 C ATOM 1457 NE ARG A 98 -6.710 3.001 9.542 1.00 31.02 N ATOM 1458 CZ ARG A 98 -6.925 3.175 10.868 1.00 42.15 C ATOM 1459 NH1 ARG A 98 -7.593 4.248 11.314 1.00 75.15 N ATOM 1460 NH2 ARG A 98 -6.477 2.291 11.735 1.00 43.42 N ATOM 0 H ARG A 98 -3.898 3.260 5.377 1.00 11.20 H new ATOM 0 HA ARG A 98 -4.850 1.984 7.863 1.00 60.23 H new ATOM 0 HB2 ARG A 98 -6.404 2.872 5.410 1.00 14.55 H new ATOM 0 HB3 ARG A 98 -7.061 1.965 6.758 1.00 14.55 H new ATOM 0 HG2 ARG A 98 -5.723 4.564 7.380 1.00 22.11 H new ATOM 0 HG3 ARG A 98 -7.262 4.633 6.544 1.00 22.11 H new ATOM 0 HD2 ARG A 98 -7.559 4.812 8.960 1.00 12.21 H new ATOM 0 HD3 ARG A 98 -8.353 3.386 8.321 1.00 12.21 H new ATOM 0 HE ARG A 98 -6.064 2.273 9.238 1.00 31.02 H new ATOM 0 HH11 ARG A 98 -7.944 4.941 10.653 1.00 75.15 H new ATOM 0 HH12 ARG A 98 -7.751 4.371 12.314 1.00 75.15 H new ATOM 0 HH21 ARG A 98 -5.966 1.471 11.409 1.00 43.42 H new ATOM 0 HH22 ARG A 98 -6.641 2.426 12.733 1.00 43.42 H new ATOM 1474 N MET A 99 -5.096 -0.191 6.658 1.00 23.13 N ATOM 1475 CA MET A 99 -5.012 -1.482 6.040 1.00 25.05 C ATOM 1476 C MET A 99 -6.323 -2.200 6.152 1.00 25.45 C ATOM 1477 O MET A 99 -6.946 -2.228 7.225 1.00 61.51 O ATOM 1478 CB MET A 99 -3.880 -2.342 6.619 1.00 32.12 C ATOM 1479 CG MET A 99 -2.488 -1.794 6.359 1.00 4.14 C ATOM 1480 SD MET A 99 -1.188 -2.848 7.021 1.00 63.01 S ATOM 1481 CE MET A 99 0.271 -1.966 6.470 1.00 62.42 C ATOM 0 H MET A 99 -5.479 -0.201 7.603 1.00 23.13 H new ATOM 0 HA MET A 99 -4.779 -1.317 4.988 1.00 25.05 H new ATOM 0 HB2 MET A 99 -4.026 -2.438 7.695 1.00 32.12 H new ATOM 0 HB3 MET A 99 -3.948 -3.345 6.197 1.00 32.12 H new ATOM 0 HG2 MET A 99 -2.343 -1.678 5.285 1.00 4.14 H new ATOM 0 HG3 MET A 99 -2.405 -0.801 6.801 1.00 4.14 H new ATOM 0 HE1 MET A 99 1.131 -2.279 7.062 1.00 62.42 H new ATOM 0 HE2 MET A 99 0.454 -2.187 5.419 1.00 62.42 H new ATOM 0 HE3 MET A 99 0.117 -0.894 6.594 1.00 62.42 H new ATOM 1491 N HIS A 100 -6.763 -2.697 5.050 1.00 74.35 N ATOM 1492 CA HIS A 100 -7.940 -3.503 4.952 1.00 63.55 C ATOM 1493 C HIS A 100 -7.482 -4.861 4.448 1.00 63.21 C ATOM 1494 O HIS A 100 -7.943 -5.314 3.383 1.00 40.24 O ATOM 1495 CB HIS A 100 -8.952 -2.873 3.958 1.00 53.34 C ATOM 1496 CG HIS A 100 -9.506 -1.527 4.356 1.00 12.34 C ATOM 1497 ND1 HIS A 100 -10.828 -1.309 4.649 1.00 24.21 N ATOM 1498 CD2 HIS A 100 -8.897 -0.315 4.472 1.00 1.25 C ATOM 1499 CE1 HIS A 100 -10.994 -0.020 4.926 1.00 44.15 C ATOM 1500 NE2 HIS A 100 -9.847 0.641 4.835 1.00 73.23 N ATOM 1501 OXT HIS A 100 -6.532 -5.401 5.048 1.00 37.95 O ATOM 0 H HIS A 100 -6.298 -2.550 4.154 1.00 74.35 H new ATOM 0 HA HIS A 100 -8.444 -3.584 5.915 1.00 63.55 H new ATOM 0 HB2 HIS A 100 -8.466 -2.773 2.987 1.00 53.34 H new ATOM 0 HB3 HIS A 100 -9.785 -3.564 3.828 1.00 53.34 H new ATOM 0 HD2 HIS A 100 -7.847 -0.124 4.309 1.00 1.25 H new ATOM 0 HE1 HIS A 100 -11.939 0.431 5.191 1.00 44.15 H new ATOM 0 HE2 HIS A 100 -9.692 1.636 4.996 1.00 73.23 H new