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= -0.152 K(o=3.4,f=-7.2!) USER MOD Set 1.2: A 65 ASN : amide:sc= 0.831 K(o=3.4,f=-0.38!) USER MOD Set 1.3: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 68 ASN : amide:sc= 1.32 K(o=3.4,f=-0.41) USER MOD Set 1.5: A 70 THR OG1 : rot 86:sc= 1.4 USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0.735 USER MOD Set 2.2: A 22 GLN : amide:sc= 0.846 K(o=1.5,f=0.042) USER MOD Set 2.3: A 100 HIS : no HE2:sc= -0.0781 X(o=1.5,f=1.3) USER MOD Single : A 7 THR OG1 : rot 24:sc= 0.182 USER MOD Single : A 8 SER OG : rot -51:sc= 0.595 USER MOD Single : A 12 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.049) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0493 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.88 K(o=-1.9,f=-3!) USER MOD Single : A 34 GLN : amide:sc= -0.0697 K(o=-0.07,f=-2.7!) USER MOD Single : A 37 GLN : amide:sc= -0.0178 K(o=-0.018,f=-1.1) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00473 USER MOD Single : A 57 GLN : amide:sc= -1.47! K(o=-1.5!,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 73 ASN : amide:sc= 0.95 K(o=0.95,f=-0.017) USER MOD Single : A 74 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.7!) USER MOD Single : A 78 GLN : amide:sc= 0.378 K(o=0.38,f=-0.36) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 92 HIS : no HE2:sc= 0.277 K(o=0.28,f=-4.5!) USER MOD Single : A 93 SER OG : rot 144:sc= 0.876 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -4.294 -8.891 2.145 1.00 54.25 N ATOM 63 CA THR A 7 -3.836 -7.639 2.653 1.00 53.51 C ATOM 64 C THR A 7 -3.960 -6.568 1.581 1.00 0.10 C ATOM 65 O THR A 7 -3.350 -6.663 0.521 1.00 63.01 O ATOM 66 CB THR A 7 -2.364 -7.730 3.118 1.00 51.00 C ATOM 67 OG1 THR A 7 -2.195 -8.876 3.972 1.00 24.24 O ATOM 68 CG2 THR A 7 -1.977 -6.480 3.903 1.00 35.13 C ATOM 0 HA THR A 7 -4.456 -7.377 3.511 1.00 53.51 H new ATOM 0 HB THR A 7 -1.729 -7.819 2.236 1.00 51.00 H new ATOM 0 HG1 THR A 7 -2.890 -9.537 3.773 1.00 24.24 H new ATOM 0 HG21 THR A 7 -0.938 -6.559 4.224 1.00 35.13 H new ATOM 0 HG22 THR A 7 -2.096 -5.601 3.269 1.00 35.13 H new ATOM 0 HG23 THR A 7 -2.621 -6.386 4.778 1.00 35.13 H new ATOM 76 N SER A 8 -4.777 -5.604 1.837 1.00 63.00 N ATOM 77 CA SER A 8 -4.895 -4.456 0.997 1.00 21.45 C ATOM 78 C SER A 8 -4.674 -3.237 1.860 1.00 62.44 C ATOM 79 O SER A 8 -5.123 -3.205 2.992 1.00 62.05 O ATOM 80 CB SER A 8 -6.258 -4.443 0.286 1.00 62.01 C ATOM 81 OG SER A 8 -7.343 -4.625 1.197 1.00 65.03 O ATOM 0 H SER A 8 -5.393 -5.589 2.649 1.00 63.00 H new ATOM 0 HA SER A 8 -4.147 -4.469 0.204 1.00 21.45 H new ATOM 0 HB2 SER A 8 -6.382 -3.497 -0.240 1.00 62.01 H new ATOM 0 HB3 SER A 8 -6.281 -5.231 -0.466 1.00 62.01 H new ATOM 0 HG SER A 8 -7.171 -5.410 1.757 1.00 65.03 H new ATOM 87 N VAL A 9 -3.976 -2.277 1.373 1.00 5.50 N ATOM 88 CA VAL A 9 -3.633 -1.146 2.178 1.00 54.24 C ATOM 89 C VAL A 9 -4.234 0.147 1.635 1.00 14.14 C ATOM 90 O VAL A 9 -3.997 0.545 0.484 1.00 24.14 O ATOM 91 CB VAL A 9 -2.096 -1.061 2.405 1.00 0.51 C ATOM 92 CG1 VAL A 9 -1.350 -1.140 1.103 1.00 61.45 C ATOM 93 CG2 VAL A 9 -1.712 0.192 3.172 1.00 61.21 C ATOM 0 H VAL A 9 -3.626 -2.245 0.416 1.00 5.50 H new ATOM 0 HA VAL A 9 -4.083 -1.287 3.161 1.00 54.24 H new ATOM 0 HB VAL A 9 -1.811 -1.920 3.012 1.00 0.51 H new ATOM 0 HG11 VAL A 9 -0.279 -1.078 1.293 1.00 61.45 H new ATOM 0 HG12 VAL A 9 -1.577 -2.085 0.610 1.00 61.45 H new ATOM 0 HG13 VAL A 9 -1.653 -0.314 0.460 1.00 61.45 H new ATOM 0 HG21 VAL A 9 -0.631 0.216 3.311 1.00 61.21 H new ATOM 0 HG22 VAL A 9 -2.026 1.072 2.611 1.00 61.21 H new ATOM 0 HG23 VAL A 9 -2.203 0.188 4.145 1.00 61.21 H new ATOM 103 N THR A 10 -5.005 0.780 2.466 1.00 32.04 N ATOM 104 CA THR A 10 -5.696 1.973 2.124 1.00 14.51 C ATOM 105 C THR A 10 -5.111 3.105 2.948 1.00 32.53 C ATOM 106 O THR A 10 -4.899 2.956 4.164 1.00 64.22 O ATOM 107 CB THR A 10 -7.205 1.831 2.446 1.00 75.25 C ATOM 108 OG1 THR A 10 -7.706 0.575 1.928 1.00 70.31 O ATOM 109 CG2 THR A 10 -8.004 2.973 1.829 1.00 20.44 C ATOM 0 H THR A 10 -5.171 0.469 3.423 1.00 32.04 H new ATOM 0 HA THR A 10 -5.586 2.172 1.058 1.00 14.51 H new ATOM 0 HB THR A 10 -7.321 1.861 3.529 1.00 75.25 H new ATOM 0 HG1 THR A 10 -8.660 0.492 2.137 1.00 70.31 H new ATOM 0 HG21 THR A 10 -9.060 2.850 2.070 1.00 20.44 H new ATOM 0 HG22 THR A 10 -7.649 3.923 2.229 1.00 20.44 H new ATOM 0 HG23 THR A 10 -7.875 2.964 0.747 1.00 20.44 H new ATOM 117 N LEU A 11 -4.798 4.187 2.304 1.00 50.54 N ATOM 118 CA LEU A 11 -4.286 5.320 2.989 1.00 3.40 C ATOM 119 C LEU A 11 -5.379 6.357 3.129 1.00 72.51 C ATOM 120 O LEU A 11 -6.163 6.578 2.191 1.00 75.51 O ATOM 121 CB LEU A 11 -3.002 5.867 2.292 1.00 3.33 C ATOM 122 CG LEU A 11 -3.081 6.428 0.850 1.00 14.02 C ATOM 123 CD1 LEU A 11 -3.634 7.854 0.812 1.00 35.11 C ATOM 124 CD2 LEU A 11 -1.717 6.375 0.190 1.00 32.32 C ATOM 0 H LEU A 11 -4.892 4.304 1.295 1.00 50.54 H new ATOM 0 HA LEU A 11 -3.974 5.035 3.994 1.00 3.40 H new ATOM 0 HB2 LEU A 11 -2.601 6.658 2.926 1.00 3.33 H new ATOM 0 HB3 LEU A 11 -2.268 5.061 2.286 1.00 3.33 H new ATOM 0 HG LEU A 11 -3.776 5.797 0.295 1.00 14.02 H new ATOM 0 HD11 LEU A 11 -3.670 8.203 -0.220 1.00 35.11 H new ATOM 0 HD12 LEU A 11 -4.639 7.866 1.234 1.00 35.11 H new ATOM 0 HD13 LEU A 11 -2.988 8.511 1.395 1.00 35.11 H new ATOM 0 HD21 LEU A 11 -1.787 6.772 -0.823 1.00 32.32 H new ATOM 0 HD22 LEU A 11 -1.011 6.973 0.766 1.00 32.32 H new ATOM 0 HD23 LEU A 11 -1.371 5.342 0.151 1.00 32.32 H new ATOM 136 N GLN A 12 -5.491 6.925 4.293 1.00 53.02 N ATOM 137 CA GLN A 12 -6.458 7.956 4.524 1.00 30.14 C ATOM 138 C GLN A 12 -5.793 9.296 4.512 1.00 11.23 C ATOM 139 O GLN A 12 -4.967 9.587 5.367 1.00 11.32 O ATOM 140 CB GLN A 12 -7.156 7.791 5.834 1.00 72.10 C ATOM 141 CG GLN A 12 -7.969 6.541 5.987 1.00 62.10 C ATOM 142 CD GLN A 12 -8.724 6.513 7.304 1.00 75.13 C ATOM 143 OE1 GLN A 12 -8.978 5.448 7.863 1.00 53.33 O ATOM 144 NE2 GLN A 12 -9.100 7.678 7.803 1.00 10.45 N ATOM 0 H GLN A 12 -4.919 6.689 5.104 1.00 53.02 H new ATOM 0 HA GLN A 12 -7.195 7.882 3.724 1.00 30.14 H new ATOM 0 HB2 GLN A 12 -6.409 7.816 6.628 1.00 72.10 H new ATOM 0 HB3 GLN A 12 -7.811 8.649 5.986 1.00 72.10 H new ATOM 0 HG2 GLN A 12 -8.677 6.465 5.161 1.00 62.10 H new ATOM 0 HG3 GLN A 12 -7.314 5.672 5.926 1.00 62.10 H new ATOM 0 HE21 GLN A 12 -8.871 8.541 7.311 1.00 10.45 H new ATOM 0 HE22 GLN A 12 -9.619 7.713 8.680 1.00 10.45 H new ATOM 153 N LEU A 13 -6.202 10.109 3.613 1.00 44.33 N ATOM 154 CA LEU A 13 -5.615 11.405 3.388 1.00 32.13 C ATOM 155 C LEU A 13 -6.558 12.473 3.875 1.00 41.11 C ATOM 156 O LEU A 13 -7.755 12.434 3.568 1.00 20.12 O ATOM 157 CB LEU A 13 -5.385 11.609 1.893 1.00 14.52 C ATOM 158 CG LEU A 13 -4.937 13.008 1.486 1.00 44.04 C ATOM 159 CD1 LEU A 13 -3.515 13.307 1.944 1.00 50.04 C ATOM 160 CD2 LEU A 13 -5.123 13.239 0.001 1.00 54.41 C ATOM 0 H LEU A 13 -6.978 9.899 2.985 1.00 44.33 H new ATOM 0 HA LEU A 13 -4.668 11.466 3.924 1.00 32.13 H new ATOM 0 HB2 LEU A 13 -4.635 10.893 1.557 1.00 14.52 H new ATOM 0 HB3 LEU A 13 -6.309 11.374 1.365 1.00 14.52 H new ATOM 0 HG LEU A 13 -5.582 13.719 2.002 1.00 44.04 H new ATOM 0 HD11 LEU A 13 -3.237 14.314 1.633 1.00 50.04 H new ATOM 0 HD12 LEU A 13 -3.460 13.234 3.030 1.00 50.04 H new ATOM 0 HD13 LEU A 13 -2.830 12.587 1.497 1.00 50.04 H new ATOM 0 HD21 LEU A 13 -4.794 14.246 -0.255 1.00 54.41 H new ATOM 0 HD22 LEU A 13 -4.533 12.512 -0.557 1.00 54.41 H new ATOM 0 HD23 LEU A 13 -6.176 13.126 -0.256 1.00 54.41 H new ATOM 172 N ASP A 14 -6.057 13.449 4.579 1.00 31.41 N ATOM 173 CA ASP A 14 -6.925 14.479 5.031 1.00 4.33 C ATOM 174 C ASP A 14 -6.999 15.544 3.972 1.00 31.21 C ATOM 175 O ASP A 14 -6.106 16.375 3.813 1.00 33.41 O ATOM 176 CB ASP A 14 -6.481 15.071 6.375 1.00 75.12 C ATOM 177 CG ASP A 14 -7.431 16.146 6.880 1.00 70.32 C ATOM 178 OD1 ASP A 14 -7.292 17.312 6.497 1.00 65.10 O ATOM 179 OD2 ASP A 14 -8.336 15.832 7.681 1.00 62.34 O ATOM 0 H ASP A 14 -5.077 13.546 4.843 1.00 31.41 H new ATOM 0 HA ASP A 14 -7.913 14.051 5.201 1.00 4.33 H new ATOM 0 HB2 ASP A 14 -6.413 14.274 7.115 1.00 75.12 H new ATOM 0 HB3 ASP A 14 -5.482 15.494 6.270 1.00 75.12 H new ATOM 184 N ASP A 15 -8.042 15.476 3.219 1.00 54.10 N ATOM 185 CA ASP A 15 -8.327 16.460 2.205 1.00 53.15 C ATOM 186 C ASP A 15 -9.518 17.258 2.716 1.00 22.13 C ATOM 187 O ASP A 15 -10.450 17.589 1.997 1.00 43.33 O ATOM 188 CB ASP A 15 -8.643 15.747 0.865 1.00 51.43 C ATOM 189 CG ASP A 15 -8.920 16.691 -0.312 1.00 31.54 C ATOM 190 OD1 ASP A 15 -8.063 17.521 -0.644 1.00 11.23 O ATOM 191 OD2 ASP A 15 -10.021 16.614 -0.913 1.00 70.32 O ATOM 0 H ASP A 15 -8.736 14.731 3.282 1.00 54.10 H new ATOM 0 HA ASP A 15 -7.482 17.122 2.018 1.00 53.15 H new ATOM 0 HB2 ASP A 15 -7.804 15.101 0.606 1.00 51.43 H new ATOM 0 HB3 ASP A 15 -9.510 15.102 1.008 1.00 51.43 H new ATOM 196 N GLY A 16 -9.495 17.507 4.013 1.00 54.03 N ATOM 197 CA GLY A 16 -10.584 18.181 4.677 1.00 14.55 C ATOM 198 C GLY A 16 -11.688 17.208 5.025 1.00 55.44 C ATOM 199 O GLY A 16 -12.074 17.070 6.190 1.00 34.31 O ATOM 0 H GLY A 16 -8.724 17.248 4.628 1.00 54.03 H new ATOM 0 HA2 GLY A 16 -10.220 18.663 5.584 1.00 14.55 H new ATOM 0 HA3 GLY A 16 -10.977 18.968 4.033 1.00 14.55 H new ATOM 203 N SER A 17 -12.145 16.493 4.024 1.00 42.54 N ATOM 204 CA SER A 17 -13.209 15.538 4.159 1.00 50.51 C ATOM 205 C SER A 17 -12.642 14.183 4.555 1.00 65.41 C ATOM 206 O SER A 17 -13.300 13.371 5.215 1.00 74.42 O ATOM 207 CB SER A 17 -13.925 15.451 2.817 1.00 51.23 C ATOM 208 OG SER A 17 -12.973 15.263 1.760 1.00 44.14 O ATOM 0 H SER A 17 -11.777 16.564 3.075 1.00 42.54 H new ATOM 0 HA SER A 17 -13.909 15.846 4.936 1.00 50.51 H new ATOM 0 HB2 SER A 17 -14.635 14.624 2.828 1.00 51.23 H new ATOM 0 HB3 SER A 17 -14.498 16.361 2.643 1.00 51.23 H new ATOM 0 HG SER A 17 -13.444 15.207 0.902 1.00 44.14 H new ATOM 214 N GLY A 18 -11.403 13.967 4.175 1.00 74.52 N ATOM 215 CA GLY A 18 -10.764 12.712 4.422 1.00 74.42 C ATOM 216 C GLY A 18 -11.043 11.761 3.293 1.00 41.11 C ATOM 217 O GLY A 18 -12.104 11.163 3.235 1.00 13.31 O ATOM 0 H GLY A 18 -10.823 14.653 3.692 1.00 74.52 H new ATOM 0 HA2 GLY A 18 -9.689 12.857 4.529 1.00 74.42 H new ATOM 0 HA3 GLY A 18 -11.123 12.290 5.361 1.00 74.42 H new ATOM 221 N ARG A 19 -10.131 11.670 2.369 1.00 4.54 N ATOM 222 CA ARG A 19 -10.291 10.774 1.242 1.00 52.04 C ATOM 223 C ARG A 19 -9.461 9.549 1.467 1.00 24.44 C ATOM 224 O ARG A 19 -8.583 9.540 2.333 1.00 53.22 O ATOM 225 CB ARG A 19 -9.862 11.402 -0.075 1.00 4.22 C ATOM 226 CG ARG A 19 -10.540 12.705 -0.432 1.00 55.24 C ATOM 227 CD ARG A 19 -10.300 13.075 -1.893 1.00 45.14 C ATOM 228 NE ARG A 19 -8.907 12.845 -2.331 1.00 63.10 N ATOM 229 CZ ARG A 19 -8.192 13.653 -3.120 1.00 44.23 C ATOM 230 NH1 ARG A 19 -8.643 14.862 -3.442 1.00 30.21 N ATOM 231 NH2 ARG A 19 -7.016 13.243 -3.584 1.00 31.10 N ATOM 0 H ARG A 19 -9.262 12.204 2.367 1.00 4.54 H new ATOM 0 HA ARG A 19 -11.352 10.535 1.172 1.00 52.04 H new ATOM 0 HB2 ARG A 19 -8.786 11.571 -0.042 1.00 4.22 H new ATOM 0 HB3 ARG A 19 -10.048 10.686 -0.875 1.00 4.22 H new ATOM 0 HG2 ARG A 19 -11.611 12.622 -0.247 1.00 55.24 H new ATOM 0 HG3 ARG A 19 -10.166 13.500 0.213 1.00 55.24 H new ATOM 0 HD2 ARG A 19 -10.973 12.494 -2.523 1.00 45.14 H new ATOM 0 HD3 ARG A 19 -10.552 14.125 -2.041 1.00 45.14 H new ATOM 0 HE ARG A 19 -8.451 11.994 -2.002 1.00 63.10 H new ATOM 0 HH11 ARG A 19 -9.544 15.182 -3.086 1.00 30.21 H new ATOM 0 HH12 ARG A 19 -8.088 15.469 -4.045 1.00 30.21 H new ATOM 0 HH21 ARG A 19 -6.665 12.318 -3.337 1.00 31.10 H new ATOM 0 HH22 ARG A 19 -6.464 13.854 -4.187 1.00 31.10 H new ATOM 245 N THR A 20 -9.706 8.534 0.702 1.00 73.25 N ATOM 246 CA THR A 20 -8.981 7.321 0.829 1.00 13.32 C ATOM 247 C THR A 20 -8.429 6.887 -0.521 1.00 51.34 C ATOM 248 O THR A 20 -9.114 6.992 -1.549 1.00 51.54 O ATOM 249 CB THR A 20 -9.873 6.215 1.427 1.00 73.31 C ATOM 250 OG1 THR A 20 -11.089 6.097 0.661 1.00 64.01 O ATOM 251 CG2 THR A 20 -10.223 6.530 2.864 1.00 42.05 C ATOM 0 H THR A 20 -10.417 8.528 -0.029 1.00 73.25 H new ATOM 0 HA THR A 20 -8.144 7.491 1.507 1.00 13.32 H new ATOM 0 HB THR A 20 -9.321 5.276 1.392 1.00 73.31 H new ATOM 0 HG1 THR A 20 -11.650 5.392 1.045 1.00 64.01 H new ATOM 0 HG21 THR A 20 -10.853 5.737 3.267 1.00 42.05 H new ATOM 0 HG22 THR A 20 -9.309 6.603 3.454 1.00 42.05 H new ATOM 0 HG23 THR A 20 -10.760 7.478 2.908 1.00 42.05 H new ATOM 259 N TYR A 21 -7.201 6.448 -0.525 1.00 54.33 N ATOM 260 CA TYR A 21 -6.561 5.942 -1.714 1.00 13.34 C ATOM 261 C TYR A 21 -5.991 4.599 -1.377 1.00 62.44 C ATOM 262 O TYR A 21 -5.239 4.466 -0.410 1.00 13.03 O ATOM 263 CB TYR A 21 -5.453 6.905 -2.206 1.00 5.51 C ATOM 264 CG TYR A 21 -4.689 6.440 -3.449 1.00 15.41 C ATOM 265 CD1 TYR A 21 -5.181 6.680 -4.724 1.00 45.31 C ATOM 266 CD2 TYR A 21 -3.475 5.762 -3.339 1.00 44.20 C ATOM 267 CE1 TYR A 21 -4.492 6.265 -5.852 1.00 12.30 C ATOM 268 CE2 TYR A 21 -2.780 5.344 -4.463 1.00 13.31 C ATOM 269 CZ TYR A 21 -3.297 5.597 -5.717 1.00 63.14 C ATOM 270 OH TYR A 21 -2.614 5.180 -6.845 1.00 53.23 O ATOM 0 H TYR A 21 -6.608 6.430 0.304 1.00 54.33 H new ATOM 0 HA TYR A 21 -7.284 5.858 -2.525 1.00 13.34 H new ATOM 0 HB2 TYR A 21 -5.904 7.874 -2.418 1.00 5.51 H new ATOM 0 HB3 TYR A 21 -4.739 7.056 -1.396 1.00 5.51 H new ATOM 0 HD1 TYR A 21 -6.120 7.201 -4.839 1.00 45.31 H new ATOM 0 HD2 TYR A 21 -3.069 5.559 -2.359 1.00 44.20 H new ATOM 0 HE1 TYR A 21 -4.892 6.465 -6.835 1.00 12.30 H new ATOM 0 HE2 TYR A 21 -1.840 4.823 -4.358 1.00 13.31 H new ATOM 0 HH TYR A 21 -1.788 4.725 -6.578 1.00 53.23 H new ATOM 280 N GLN A 22 -6.372 3.607 -2.105 1.00 51.04 N ATOM 281 CA GLN A 22 -5.876 2.296 -1.845 1.00 73.40 C ATOM 282 C GLN A 22 -4.705 2.025 -2.757 1.00 25.42 C ATOM 283 O GLN A 22 -4.758 2.329 -3.954 1.00 5.31 O ATOM 284 CB GLN A 22 -6.982 1.244 -1.977 1.00 70.02 C ATOM 285 CG GLN A 22 -6.569 -0.141 -1.516 1.00 21.13 C ATOM 286 CD GLN A 22 -7.726 -1.106 -1.447 1.00 41.42 C ATOM 287 OE1 GLN A 22 -8.033 -1.804 -2.411 1.00 11.34 O ATOM 288 NE2 GLN A 22 -8.388 -1.145 -0.316 1.00 31.44 N ATOM 0 H GLN A 22 -7.025 3.676 -2.885 1.00 51.04 H new ATOM 0 HA GLN A 22 -5.529 2.233 -0.814 1.00 73.40 H new ATOM 0 HB2 GLN A 22 -7.848 1.566 -1.398 1.00 70.02 H new ATOM 0 HB3 GLN A 22 -7.297 1.191 -3.019 1.00 70.02 H new ATOM 0 HG2 GLN A 22 -5.814 -0.535 -2.197 1.00 21.13 H new ATOM 0 HG3 GLN A 22 -6.105 -0.068 -0.533 1.00 21.13 H new ATOM 0 HE21 GLN A 22 -8.103 -0.550 0.462 1.00 31.44 H new ATOM 0 HE22 GLN A 22 -9.188 -1.770 -0.214 1.00 31.44 H new ATOM 297 N LEU A 23 -3.646 1.507 -2.187 1.00 23.42 N ATOM 298 CA LEU A 23 -2.445 1.241 -2.927 1.00 54.43 C ATOM 299 C LEU A 23 -2.647 0.046 -3.810 1.00 63.11 C ATOM 300 O LEU A 23 -3.347 -0.900 -3.447 1.00 21.41 O ATOM 301 CB LEU A 23 -1.269 0.994 -1.992 1.00 14.44 C ATOM 302 CG LEU A 23 -0.896 2.140 -1.046 1.00 73.44 C ATOM 303 CD1 LEU A 23 0.247 1.726 -0.159 1.00 40.45 C ATOM 304 CD2 LEU A 23 -0.519 3.389 -1.818 1.00 51.33 C ATOM 0 H LEU A 23 -3.595 1.259 -1.199 1.00 23.42 H new ATOM 0 HA LEU A 23 -2.220 2.115 -3.538 1.00 54.43 H new ATOM 0 HB2 LEU A 23 -1.491 0.113 -1.390 1.00 14.44 H new ATOM 0 HB3 LEU A 23 -0.396 0.754 -2.598 1.00 14.44 H new ATOM 0 HG LEU A 23 -1.768 2.367 -0.433 1.00 73.44 H new ATOM 0 HD11 LEU A 23 0.505 2.547 0.510 1.00 40.45 H new ATOM 0 HD12 LEU A 23 -0.046 0.857 0.430 1.00 40.45 H new ATOM 0 HD13 LEU A 23 1.111 1.474 -0.773 1.00 40.45 H new ATOM 0 HD21 LEU A 23 -0.260 4.184 -1.119 1.00 51.33 H new ATOM 0 HD22 LEU A 23 0.336 3.176 -2.459 1.00 51.33 H new ATOM 0 HD23 LEU A 23 -1.362 3.706 -2.431 1.00 51.33 H new ATOM 316 N ARG A 24 -2.068 0.093 -4.962 1.00 54.41 N ATOM 317 CA ARG A 24 -2.188 -0.980 -5.896 1.00 45.42 C ATOM 318 C ARG A 24 -0.859 -1.681 -5.953 1.00 3.34 C ATOM 319 O ARG A 24 0.175 -1.050 -5.683 1.00 22.15 O ATOM 320 CB ARG A 24 -2.566 -0.448 -7.278 1.00 54.14 C ATOM 321 CG ARG A 24 -3.742 0.524 -7.270 1.00 75.32 C ATOM 322 CD ARG A 24 -4.992 -0.097 -6.674 1.00 50.21 C ATOM 323 NE ARG A 24 -6.048 0.894 -6.499 1.00 33.52 N ATOM 324 CZ ARG A 24 -7.232 0.669 -5.941 1.00 54.51 C ATOM 325 NH1 ARG A 24 -7.543 -0.533 -5.490 1.00 2.10 N ATOM 326 NH2 ARG A 24 -8.105 1.650 -5.834 1.00 21.23 N ATOM 0 H ARG A 24 -1.498 0.875 -5.285 1.00 54.41 H new ATOM 0 HA ARG A 24 -2.972 -1.669 -5.583 1.00 45.42 H new ATOM 0 HB2 ARG A 24 -1.700 0.050 -7.713 1.00 54.14 H new ATOM 0 HB3 ARG A 24 -2.809 -1.290 -7.926 1.00 54.14 H new ATOM 0 HG2 ARG A 24 -3.473 1.413 -6.700 1.00 75.32 H new ATOM 0 HG3 ARG A 24 -3.950 0.849 -8.289 1.00 75.32 H new ATOM 0 HD2 ARG A 24 -5.347 -0.898 -7.323 1.00 50.21 H new ATOM 0 HD3 ARG A 24 -4.752 -0.549 -5.712 1.00 50.21 H new ATOM 0 HE ARG A 24 -5.861 1.839 -6.833 1.00 33.52 H new ATOM 0 HH11 ARG A 24 -6.872 -1.297 -5.569 1.00 2.10 H new ATOM 0 HH12 ARG A 24 -8.455 -0.697 -5.063 1.00 2.10 H new ATOM 0 HH21 ARG A 24 -7.871 2.581 -6.180 1.00 21.23 H new ATOM 0 HH22 ARG A 24 -9.015 1.479 -5.406 1.00 21.23 H new ATOM 340 N GLU A 25 -0.870 -2.960 -6.270 1.00 24.32 N ATOM 341 CA GLU A 25 0.359 -3.730 -6.338 1.00 60.32 C ATOM 342 C GLU A 25 1.302 -3.180 -7.400 1.00 43.10 C ATOM 343 O GLU A 25 0.913 -2.952 -8.563 1.00 12.44 O ATOM 344 CB GLU A 25 0.101 -5.243 -6.476 1.00 22.23 C ATOM 345 CG GLU A 25 -0.758 -5.661 -7.655 1.00 72.32 C ATOM 346 CD GLU A 25 -0.963 -7.155 -7.694 1.00 51.14 C ATOM 347 OE1 GLU A 25 -0.104 -7.864 -8.242 1.00 63.44 O ATOM 348 OE2 GLU A 25 -1.973 -7.653 -7.158 1.00 42.31 O ATOM 0 H GLU A 25 -1.715 -3.489 -6.485 1.00 24.32 H new ATOM 0 HA GLU A 25 0.869 -3.613 -5.382 1.00 60.32 H new ATOM 0 HB2 GLU A 25 1.062 -5.751 -6.553 1.00 22.23 H new ATOM 0 HB3 GLU A 25 -0.374 -5.596 -5.561 1.00 22.23 H new ATOM 0 HG2 GLU A 25 -1.725 -5.162 -7.595 1.00 72.32 H new ATOM 0 HG3 GLU A 25 -0.287 -5.334 -8.582 1.00 72.32 H new ATOM 355 N GLY A 26 2.500 -2.919 -6.968 1.00 23.23 N ATOM 356 CA GLY A 26 3.511 -2.290 -7.766 1.00 53.32 C ATOM 357 C GLY A 26 4.023 -1.120 -6.991 1.00 52.00 C ATOM 358 O GLY A 26 3.709 -0.999 -5.800 1.00 53.35 O ATOM 0 H GLY A 26 2.810 -3.144 -6.023 1.00 23.23 H new ATOM 0 HA2 GLY A 26 4.318 -2.989 -7.985 1.00 53.32 H new ATOM 0 HA3 GLY A 26 3.100 -1.967 -8.723 1.00 53.32 H new ATOM 362 N SER A 27 4.792 -0.272 -7.580 1.00 64.42 N ATOM 363 CA SER A 27 5.212 0.873 -6.858 1.00 54.41 C ATOM 364 C SER A 27 4.483 2.105 -7.358 1.00 65.15 C ATOM 365 O SER A 27 4.416 2.377 -8.569 1.00 43.04 O ATOM 366 CB SER A 27 6.735 1.027 -6.841 1.00 15.13 C ATOM 367 OG SER A 27 7.281 1.089 -8.155 1.00 55.24 O ATOM 0 H SER A 27 5.136 -0.347 -8.537 1.00 64.42 H new ATOM 0 HA SER A 27 4.937 0.740 -5.812 1.00 54.41 H new ATOM 0 HB2 SER A 27 7.002 1.932 -6.295 1.00 15.13 H new ATOM 0 HB3 SER A 27 7.178 0.188 -6.304 1.00 15.13 H new ATOM 0 HG SER A 27 8.254 1.189 -8.100 1.00 55.24 H new ATOM 373 N ASN A 28 3.920 2.817 -6.442 1.00 24.11 N ATOM 374 CA ASN A 28 3.154 3.983 -6.740 1.00 64.20 C ATOM 375 C ASN A 28 3.905 5.177 -6.266 1.00 24.51 C ATOM 376 O ASN A 28 4.624 5.106 -5.280 1.00 20.11 O ATOM 377 CB ASN A 28 1.750 3.921 -6.115 1.00 45.42 C ATOM 378 CG ASN A 28 1.770 3.651 -4.626 1.00 24.34 C ATOM 379 OD1 ASN A 28 1.850 4.563 -3.821 1.00 11.11 O ATOM 380 ND2 ASN A 28 1.680 2.386 -4.250 1.00 11.44 N ATOM 0 H ASN A 28 3.979 2.603 -5.447 1.00 24.11 H new ATOM 0 HA ASN A 28 3.005 4.047 -7.818 1.00 64.20 H new ATOM 0 HB2 ASN A 28 1.236 4.864 -6.300 1.00 45.42 H new ATOM 0 HB3 ASN A 28 1.173 3.141 -6.611 1.00 45.42 H new ATOM 0 HD21 ASN A 28 1.676 2.148 -3.258 1.00 11.44 H new ATOM 0 HD22 ASN A 28 1.615 1.649 -4.952 1.00 11.44 H new ATOM 387 N ILE A 29 3.776 6.253 -6.968 1.00 61.45 N ATOM 388 CA ILE A 29 4.531 7.435 -6.663 1.00 53.15 C ATOM 389 C ILE A 29 3.589 8.603 -6.437 1.00 13.14 C ATOM 390 O ILE A 29 2.629 8.777 -7.182 1.00 2.02 O ATOM 391 CB ILE A 29 5.518 7.763 -7.820 1.00 53.43 C ATOM 392 CG1 ILE A 29 6.437 6.555 -8.101 1.00 62.13 C ATOM 393 CG2 ILE A 29 6.344 8.997 -7.492 1.00 73.31 C ATOM 394 CD1 ILE A 29 7.404 6.753 -9.246 1.00 64.12 C ATOM 0 H ILE A 29 3.149 6.344 -7.767 1.00 61.45 H new ATOM 0 HA ILE A 29 5.107 7.258 -5.755 1.00 53.15 H new ATOM 0 HB ILE A 29 4.936 7.973 -8.717 1.00 53.43 H new ATOM 0 HG12 ILE A 29 7.005 6.329 -7.198 1.00 62.13 H new ATOM 0 HG13 ILE A 29 5.816 5.685 -8.313 1.00 62.13 H new ATOM 0 HG21 ILE A 29 7.027 9.207 -8.315 1.00 73.31 H new ATOM 0 HG22 ILE A 29 5.681 9.850 -7.344 1.00 73.31 H new ATOM 0 HG23 ILE A 29 6.917 8.820 -6.582 1.00 73.31 H new ATOM 0 HD11 ILE A 29 8.009 5.855 -9.371 1.00 64.12 H new ATOM 0 HD12 ILE A 29 6.847 6.946 -10.163 1.00 64.12 H new ATOM 0 HD13 ILE A 29 8.054 7.601 -9.031 1.00 64.12 H new ATOM 406 N ILE A 30 3.851 9.358 -5.410 1.00 43.43 N ATOM 407 CA ILE A 30 3.093 10.530 -5.065 1.00 21.53 C ATOM 408 C ILE A 30 3.941 11.763 -5.389 1.00 0.45 C ATOM 409 O ILE A 30 5.146 11.784 -5.101 1.00 54.33 O ATOM 410 CB ILE A 30 2.707 10.528 -3.547 1.00 10.32 C ATOM 411 CG1 ILE A 30 1.877 9.271 -3.199 1.00 51.13 C ATOM 412 CG2 ILE A 30 1.976 11.808 -3.160 1.00 43.14 C ATOM 413 CD1 ILE A 30 1.479 9.163 -1.737 1.00 72.23 C ATOM 0 H ILE A 30 4.622 9.171 -4.768 1.00 43.43 H new ATOM 0 HA ILE A 30 2.167 10.542 -5.639 1.00 21.53 H new ATOM 0 HB ILE A 30 3.626 10.494 -2.962 1.00 10.32 H new ATOM 0 HG12 ILE A 30 0.974 9.267 -3.809 1.00 51.13 H new ATOM 0 HG13 ILE A 30 2.450 8.385 -3.473 1.00 51.13 H new ATOM 0 HG21 ILE A 30 1.722 11.776 -2.101 1.00 43.14 H new ATOM 0 HG22 ILE A 30 2.619 12.667 -3.353 1.00 43.14 H new ATOM 0 HG23 ILE A 30 1.064 11.898 -3.749 1.00 43.14 H new ATOM 0 HD11 ILE A 30 0.900 8.252 -1.584 1.00 72.23 H new ATOM 0 HD12 ILE A 30 2.375 9.132 -1.117 1.00 72.23 H new ATOM 0 HD13 ILE A 30 0.876 10.027 -1.459 1.00 72.23 H new ATOM 425 N GLY A 31 3.331 12.740 -6.016 1.00 13.51 N ATOM 426 CA GLY A 31 3.997 13.971 -6.391 1.00 25.12 C ATOM 427 C GLY A 31 3.255 14.588 -7.524 1.00 1.24 C ATOM 428 O GLY A 31 2.064 14.394 -7.615 1.00 41.33 O ATOM 0 H GLY A 31 2.348 12.705 -6.285 1.00 13.51 H new ATOM 0 HA2 GLY A 31 4.031 14.656 -5.544 1.00 25.12 H new ATOM 0 HA3 GLY A 31 5.029 13.770 -6.680 1.00 25.12 H new ATOM 432 N ARG A 32 3.911 15.340 -8.363 1.00 11.12 N ATOM 433 CA ARG A 32 3.262 15.890 -9.544 1.00 0.33 C ATOM 434 C ARG A 32 4.173 15.720 -10.737 1.00 15.13 C ATOM 435 O ARG A 32 5.164 16.414 -10.863 1.00 32.41 O ATOM 436 CB ARG A 32 2.942 17.379 -9.375 1.00 73.42 C ATOM 437 CG ARG A 32 2.080 17.722 -8.182 1.00 64.31 C ATOM 438 CD ARG A 32 1.779 19.214 -8.129 1.00 12.42 C ATOM 439 NE ARG A 32 0.978 19.698 -9.268 1.00 30.20 N ATOM 440 CZ ARG A 32 1.083 20.931 -9.808 1.00 21.23 C ATOM 441 NH1 ARG A 32 2.088 21.739 -9.458 1.00 22.22 N ATOM 442 NH2 ARG A 32 0.216 21.332 -10.727 1.00 62.23 N ATOM 0 H ARG A 32 4.894 15.592 -8.261 1.00 11.12 H new ATOM 0 HA ARG A 32 2.325 15.353 -9.691 1.00 0.33 H new ATOM 0 HB2 ARG A 32 3.880 17.929 -9.295 1.00 73.42 H new ATOM 0 HB3 ARG A 32 2.442 17.731 -10.277 1.00 73.42 H new ATOM 0 HG2 ARG A 32 1.146 17.162 -8.232 1.00 64.31 H new ATOM 0 HG3 ARG A 32 2.586 17.418 -7.266 1.00 64.31 H new ATOM 0 HD2 ARG A 32 1.249 19.436 -7.203 1.00 12.42 H new ATOM 0 HD3 ARG A 32 2.719 19.764 -8.098 1.00 12.42 H new ATOM 0 HE ARG A 32 0.298 19.057 -9.676 1.00 30.20 H new ATOM 0 HH11 ARG A 32 2.782 21.425 -8.779 1.00 22.22 H new ATOM 0 HH12 ARG A 32 2.162 22.669 -9.870 1.00 22.22 H new ATOM 0 HH21 ARG A 32 -0.533 20.709 -11.028 1.00 62.23 H new ATOM 0 HH22 ARG A 32 0.298 22.264 -11.133 1.00 62.23 H new ATOM 456 N GLY A 33 3.840 14.819 -11.599 1.00 5.43 N ATOM 457 CA GLY A 33 4.636 14.560 -12.763 1.00 4.31 C ATOM 458 C GLY A 33 4.015 13.437 -13.520 1.00 62.12 C ATOM 459 O GLY A 33 3.101 12.802 -13.001 1.00 3.14 O ATOM 0 H GLY A 33 3.006 14.237 -11.521 1.00 5.43 H new ATOM 0 HA2 GLY A 33 4.695 15.451 -13.388 1.00 4.31 H new ATOM 0 HA3 GLY A 33 5.656 14.305 -12.475 1.00 4.31 H new ATOM 463 N GLN A 34 4.499 13.146 -14.712 1.00 74.12 N ATOM 464 CA GLN A 34 3.899 12.086 -15.528 1.00 22.42 C ATOM 465 C GLN A 34 4.321 10.715 -15.023 1.00 23.42 C ATOM 466 O GLN A 34 3.698 9.684 -15.342 1.00 14.34 O ATOM 467 CB GLN A 34 4.253 12.245 -17.014 1.00 35.23 C ATOM 468 CG GLN A 34 3.886 13.606 -17.597 1.00 3.05 C ATOM 469 CD GLN A 34 2.434 13.986 -17.390 1.00 40.34 C ATOM 470 OE1 GLN A 34 1.541 13.129 -17.337 1.00 31.50 O ATOM 471 NE2 GLN A 34 2.190 15.265 -17.244 1.00 53.21 N ATOM 0 H GLN A 34 5.296 13.617 -15.141 1.00 74.12 H new ATOM 0 HA GLN A 34 2.817 12.174 -15.435 1.00 22.42 H new ATOM 0 HB2 GLN A 34 5.323 12.083 -17.141 1.00 35.23 H new ATOM 0 HB3 GLN A 34 3.743 11.468 -17.584 1.00 35.23 H new ATOM 0 HG2 GLN A 34 4.520 14.368 -17.144 1.00 3.05 H new ATOM 0 HG3 GLN A 34 4.103 13.604 -18.665 1.00 3.05 H new ATOM 0 HE21 GLN A 34 2.954 15.939 -17.294 1.00 53.21 H new ATOM 0 HE22 GLN A 34 1.236 15.587 -17.080 1.00 53.21 H new ATOM 480 N ASP A 35 5.369 10.704 -14.230 1.00 44.10 N ATOM 481 CA ASP A 35 5.879 9.488 -13.632 1.00 34.32 C ATOM 482 C ASP A 35 5.287 9.297 -12.244 1.00 60.50 C ATOM 483 O ASP A 35 5.504 8.274 -11.599 1.00 63.24 O ATOM 484 CB ASP A 35 7.424 9.464 -13.599 1.00 15.01 C ATOM 485 CG ASP A 35 8.079 10.533 -12.729 1.00 12.33 C ATOM 486 OD1 ASP A 35 7.570 11.666 -12.641 1.00 51.34 O ATOM 487 OD2 ASP A 35 9.186 10.285 -12.212 1.00 52.23 O ATOM 0 H ASP A 35 5.895 11.542 -13.980 1.00 44.10 H new ATOM 0 HA ASP A 35 5.569 8.650 -14.257 1.00 34.32 H new ATOM 0 HB2 ASP A 35 7.747 8.485 -13.246 1.00 15.01 H new ATOM 0 HB3 ASP A 35 7.794 9.573 -14.619 1.00 15.01 H new ATOM 492 N ALA A 36 4.522 10.269 -11.805 1.00 14.42 N ATOM 493 CA ALA A 36 3.826 10.188 -10.545 1.00 34.52 C ATOM 494 C ALA A 36 2.442 9.574 -10.756 1.00 54.24 C ATOM 495 O ALA A 36 1.714 9.953 -11.678 1.00 24.04 O ATOM 496 CB ALA A 36 3.706 11.562 -9.904 1.00 43.44 C ATOM 0 H ALA A 36 4.365 11.139 -12.313 1.00 14.42 H new ATOM 0 HA ALA A 36 4.399 9.551 -9.871 1.00 34.52 H new ATOM 0 HB1 ALA A 36 3.177 11.476 -8.955 1.00 43.44 H new ATOM 0 HB2 ALA A 36 4.701 11.970 -9.729 1.00 43.44 H new ATOM 0 HB3 ALA A 36 3.153 12.226 -10.568 1.00 43.44 H new ATOM 502 N GLN A 37 2.098 8.638 -9.904 1.00 5.25 N ATOM 503 CA GLN A 37 0.824 7.941 -9.955 1.00 12.42 C ATOM 504 C GLN A 37 -0.247 8.785 -9.294 1.00 22.23 C ATOM 505 O GLN A 37 -1.242 9.136 -9.904 1.00 14.21 O ATOM 506 CB GLN A 37 0.937 6.600 -9.224 1.00 24.41 C ATOM 507 CG GLN A 37 1.777 5.554 -9.935 1.00 12.40 C ATOM 508 CD GLN A 37 1.079 4.973 -11.145 1.00 25.01 C ATOM 509 OE1 GLN A 37 -0.154 4.886 -11.181 1.00 63.42 O ATOM 510 NE2 GLN A 37 1.835 4.566 -12.119 1.00 53.15 N ATOM 0 H GLN A 37 2.702 8.330 -9.141 1.00 5.25 H new ATOM 0 HA GLN A 37 0.556 7.764 -10.997 1.00 12.42 H new ATOM 0 HB2 GLN A 37 1.362 6.776 -8.236 1.00 24.41 H new ATOM 0 HB3 GLN A 37 -0.065 6.199 -9.073 1.00 24.41 H new ATOM 0 HG2 GLN A 37 2.722 6.001 -10.245 1.00 12.40 H new ATOM 0 HG3 GLN A 37 2.017 4.751 -9.238 1.00 12.40 H new ATOM 0 HE21 GLN A 37 2.849 4.656 -12.050 1.00 53.15 H new ATOM 0 HE22 GLN A 37 1.415 4.156 -12.954 1.00 53.15 H new ATOM 519 N PHE A 38 -0.024 9.114 -8.052 1.00 70.21 N ATOM 520 CA PHE A 38 -0.942 9.913 -7.296 1.00 60.22 C ATOM 521 C PHE A 38 -0.405 11.320 -7.257 1.00 3.23 C ATOM 522 O PHE A 38 0.635 11.595 -6.644 1.00 55.41 O ATOM 523 CB PHE A 38 -1.134 9.326 -5.893 1.00 10.51 C ATOM 524 CG PHE A 38 -2.019 10.137 -4.982 1.00 65.44 C ATOM 525 CD1 PHE A 38 -3.390 10.191 -5.172 1.00 42.31 C ATOM 526 CD2 PHE A 38 -1.471 10.841 -3.932 1.00 2.51 C ATOM 527 CE1 PHE A 38 -4.187 10.940 -4.326 1.00 63.33 C ATOM 528 CE2 PHE A 38 -2.246 11.581 -3.089 1.00 63.11 C ATOM 529 CZ PHE A 38 -3.613 11.636 -3.280 1.00 20.41 C ATOM 0 H PHE A 38 0.808 8.832 -7.533 1.00 70.21 H new ATOM 0 HA PHE A 38 -1.927 9.921 -7.763 1.00 60.22 H new ATOM 0 HB2 PHE A 38 -1.555 8.325 -5.988 1.00 10.51 H new ATOM 0 HB3 PHE A 38 -0.156 9.217 -5.424 1.00 10.51 H new ATOM 0 HD1 PHE A 38 -3.840 9.644 -5.987 1.00 42.31 H new ATOM 0 HD2 PHE A 38 -0.403 10.806 -3.773 1.00 2.51 H new ATOM 0 HE1 PHE A 38 -5.255 10.981 -4.483 1.00 63.33 H new ATOM 0 HE2 PHE A 38 -1.792 12.123 -2.273 1.00 63.11 H new ATOM 0 HZ PHE A 38 -4.230 12.221 -2.614 1.00 20.41 H new ATOM 539 N ARG A 39 -1.073 12.190 -7.938 1.00 62.14 N ATOM 540 CA ARG A 39 -0.606 13.525 -8.094 1.00 51.44 C ATOM 541 C ARG A 39 -1.247 14.454 -7.081 1.00 42.10 C ATOM 542 O ARG A 39 -2.474 14.552 -7.001 1.00 3.35 O ATOM 543 CB ARG A 39 -0.831 13.970 -9.533 1.00 34.52 C ATOM 544 CG ARG A 39 -0.201 13.002 -10.524 1.00 50.14 C ATOM 545 CD ARG A 39 -0.507 13.356 -11.954 1.00 65.04 C ATOM 546 NE ARG A 39 -0.020 12.317 -12.869 1.00 40.20 N ATOM 547 CZ ARG A 39 0.123 12.445 -14.191 1.00 63.11 C ATOM 548 NH1 ARG A 39 -0.087 13.611 -14.784 1.00 74.33 N ATOM 549 NH2 ARG A 39 0.499 11.400 -14.910 1.00 23.22 N ATOM 0 H ARG A 39 -1.960 11.994 -8.403 1.00 62.14 H new ATOM 0 HA ARG A 39 0.465 13.565 -7.895 1.00 51.44 H new ATOM 0 HB2 ARG A 39 -1.901 14.046 -9.728 1.00 34.52 H new ATOM 0 HB3 ARG A 39 -0.409 14.965 -9.677 1.00 34.52 H new ATOM 0 HG2 ARG A 39 0.879 12.992 -10.379 1.00 50.14 H new ATOM 0 HG3 ARG A 39 -0.559 11.993 -10.319 1.00 50.14 H new ATOM 0 HD2 ARG A 39 -1.583 13.481 -12.079 1.00 65.04 H new ATOM 0 HD3 ARG A 39 -0.044 14.311 -12.203 1.00 65.04 H new ATOM 0 HE ARG A 39 0.232 11.417 -12.459 1.00 40.20 H new ATOM 0 HH11 ARG A 39 -0.361 14.423 -14.230 1.00 74.33 H new ATOM 0 HH12 ARG A 39 0.025 13.697 -15.794 1.00 74.33 H new ATOM 0 HH21 ARG A 39 0.677 10.505 -14.454 1.00 23.22 H new ATOM 0 HH22 ARG A 39 0.610 11.489 -15.920 1.00 23.22 H new ATOM 563 N LEU A 40 -0.413 15.118 -6.306 1.00 54.31 N ATOM 564 CA LEU A 40 -0.872 16.013 -5.254 1.00 14.34 C ATOM 565 C LEU A 40 -1.380 17.334 -5.811 1.00 4.31 C ATOM 566 O LEU A 40 -0.768 17.915 -6.692 1.00 33.04 O ATOM 567 CB LEU A 40 0.213 16.268 -4.194 1.00 13.43 C ATOM 568 CG LEU A 40 0.523 15.118 -3.236 1.00 73.41 C ATOM 569 CD1 LEU A 40 1.623 15.523 -2.277 1.00 23.42 C ATOM 570 CD2 LEU A 40 -0.719 14.719 -2.448 1.00 74.44 C ATOM 0 H LEU A 40 0.602 15.055 -6.385 1.00 54.31 H new ATOM 0 HA LEU A 40 -1.705 15.504 -4.769 1.00 14.34 H new ATOM 0 HB2 LEU A 40 1.135 16.539 -4.709 1.00 13.43 H new ATOM 0 HB3 LEU A 40 -0.087 17.132 -3.602 1.00 13.43 H new ATOM 0 HG LEU A 40 0.852 14.263 -3.827 1.00 73.41 H new ATOM 0 HD11 LEU A 40 1.837 14.697 -1.599 1.00 23.42 H new ATOM 0 HD12 LEU A 40 2.523 15.772 -2.840 1.00 23.42 H new ATOM 0 HD13 LEU A 40 1.303 16.391 -1.702 1.00 23.42 H new ATOM 0 HD21 LEU A 40 -0.474 13.899 -1.773 1.00 74.44 H new ATOM 0 HD22 LEU A 40 -1.072 15.572 -1.869 1.00 74.44 H new ATOM 0 HD23 LEU A 40 -1.501 14.400 -3.138 1.00 74.44 H new ATOM 582 N PRO A 41 -2.489 17.835 -5.270 1.00 11.11 N ATOM 583 CA PRO A 41 -3.114 19.084 -5.720 1.00 74.25 C ATOM 584 C PRO A 41 -2.545 20.329 -4.999 1.00 5.43 C ATOM 585 O PRO A 41 -3.275 21.295 -4.716 1.00 32.13 O ATOM 586 CB PRO A 41 -4.564 18.861 -5.315 1.00 53.23 C ATOM 587 CG PRO A 41 -4.484 18.069 -4.050 1.00 34.25 C ATOM 588 CD PRO A 41 -3.255 17.213 -4.160 1.00 11.10 C ATOM 0 HA PRO A 41 -2.952 19.281 -6.780 1.00 74.25 H new ATOM 0 HB2 PRO A 41 -5.082 19.807 -5.158 1.00 53.23 H new ATOM 0 HB3 PRO A 41 -5.113 18.321 -6.087 1.00 53.23 H new ATOM 0 HG2 PRO A 41 -4.422 18.727 -3.183 1.00 34.25 H new ATOM 0 HG3 PRO A 41 -5.375 17.454 -3.920 1.00 34.25 H new ATOM 0 HD2 PRO A 41 -2.684 17.211 -3.231 1.00 11.10 H new ATOM 0 HD3 PRO A 41 -3.508 16.176 -4.380 1.00 11.10 H new ATOM 596 N ASP A 42 -1.257 20.327 -4.755 1.00 42.30 N ATOM 597 CA ASP A 42 -0.602 21.428 -4.051 1.00 21.13 C ATOM 598 C ASP A 42 0.671 21.769 -4.799 1.00 54.55 C ATOM 599 O ASP A 42 1.055 21.054 -5.717 1.00 22.14 O ATOM 600 CB ASP A 42 -0.256 21.022 -2.609 1.00 51.34 C ATOM 601 CG ASP A 42 0.096 22.195 -1.678 1.00 13.22 C ATOM 602 OD1 ASP A 42 0.109 23.359 -2.128 1.00 74.31 O ATOM 603 OD2 ASP A 42 0.364 21.956 -0.475 1.00 40.20 O ATOM 0 H ASP A 42 -0.628 19.573 -5.032 1.00 42.30 H new ATOM 0 HA ASP A 42 -1.271 22.287 -4.011 1.00 21.13 H new ATOM 0 HB2 ASP A 42 -1.102 20.481 -2.185 1.00 51.34 H new ATOM 0 HB3 ASP A 42 0.586 20.330 -2.633 1.00 51.34 H new ATOM 608 N THR A 43 1.323 22.808 -4.407 1.00 0.30 N ATOM 609 CA THR A 43 2.515 23.227 -5.039 1.00 4.50 C ATOM 610 C THR A 43 3.645 23.271 -3.997 1.00 1.50 C ATOM 611 O THR A 43 3.391 23.372 -2.781 1.00 31.21 O ATOM 612 CB THR A 43 2.305 24.584 -5.762 1.00 42.23 C ATOM 613 OG1 THR A 43 3.452 24.927 -6.546 1.00 62.55 O ATOM 614 CG2 THR A 43 2.007 25.705 -4.786 1.00 2.21 C ATOM 0 H THR A 43 1.034 23.397 -3.625 1.00 0.30 H new ATOM 0 HA THR A 43 2.802 22.515 -5.813 1.00 4.50 H new ATOM 0 HB THR A 43 1.442 24.462 -6.417 1.00 42.23 H new ATOM 0 HG1 THR A 43 3.297 25.785 -6.994 1.00 62.55 H new ATOM 0 HG21 THR A 43 1.867 26.637 -5.334 1.00 2.21 H new ATOM 0 HG22 THR A 43 1.099 25.471 -4.230 1.00 2.21 H new ATOM 0 HG23 THR A 43 2.840 25.814 -4.092 1.00 2.21 H new ATOM 622 N GLY A 44 4.868 23.156 -4.458 1.00 62.42 N ATOM 623 CA GLY A 44 6.014 23.059 -3.572 1.00 73.33 C ATOM 624 C GLY A 44 6.535 21.644 -3.590 1.00 72.41 C ATOM 625 O GLY A 44 7.711 21.374 -3.321 1.00 74.20 O ATOM 0 H GLY A 44 5.101 23.127 -5.451 1.00 62.42 H new ATOM 0 HA2 GLY A 44 6.794 23.751 -3.890 1.00 73.33 H new ATOM 0 HA3 GLY A 44 5.730 23.342 -2.558 1.00 73.33 H new ATOM 629 N VAL A 45 5.639 20.753 -3.941 1.00 22.50 N ATOM 630 CA VAL A 45 5.921 19.357 -4.059 1.00 42.33 C ATOM 631 C VAL A 45 6.579 19.076 -5.420 1.00 4.03 C ATOM 632 O VAL A 45 6.227 19.697 -6.444 1.00 32.50 O ATOM 633 CB VAL A 45 4.621 18.503 -3.868 1.00 24.44 C ATOM 634 CG1 VAL A 45 3.539 18.875 -4.867 1.00 70.44 C ATOM 635 CG2 VAL A 45 4.921 17.022 -3.934 1.00 31.14 C ATOM 0 H VAL A 45 4.671 20.993 -4.156 1.00 22.50 H new ATOM 0 HA VAL A 45 6.615 19.068 -3.270 1.00 42.33 H new ATOM 0 HB VAL A 45 4.240 18.732 -2.873 1.00 24.44 H new ATOM 0 HG11 VAL A 45 2.658 18.257 -4.696 1.00 70.44 H new ATOM 0 HG12 VAL A 45 3.275 19.925 -4.743 1.00 70.44 H new ATOM 0 HG13 VAL A 45 3.907 18.710 -5.880 1.00 70.44 H new ATOM 0 HG21 VAL A 45 3.999 16.457 -3.798 1.00 31.14 H new ATOM 0 HG22 VAL A 45 5.354 16.781 -4.905 1.00 31.14 H new ATOM 0 HG23 VAL A 45 5.627 16.758 -3.147 1.00 31.14 H new ATOM 645 N SER A 46 7.540 18.188 -5.405 1.00 71.55 N ATOM 646 CA SER A 46 8.284 17.800 -6.570 1.00 0.43 C ATOM 647 C SER A 46 7.459 16.855 -7.468 1.00 51.25 C ATOM 648 O SER A 46 6.285 16.556 -7.183 1.00 23.42 O ATOM 649 CB SER A 46 9.507 17.060 -6.071 1.00 63.04 C ATOM 650 OG SER A 46 10.129 17.778 -5.018 1.00 63.34 O ATOM 0 H SER A 46 7.833 17.703 -4.557 1.00 71.55 H new ATOM 0 HA SER A 46 8.543 18.679 -7.161 1.00 0.43 H new ATOM 0 HB2 SER A 46 9.221 16.067 -5.723 1.00 63.04 H new ATOM 0 HB3 SER A 46 10.213 16.920 -6.889 1.00 63.04 H new ATOM 0 HG SER A 46 10.916 17.285 -4.706 1.00 63.34 H new ATOM 656 N ARG A 47 8.076 16.390 -8.546 1.00 34.44 N ATOM 657 CA ARG A 47 7.453 15.392 -9.416 1.00 74.13 C ATOM 658 C ARG A 47 7.282 14.089 -8.664 1.00 3.10 C ATOM 659 O ARG A 47 6.268 13.417 -8.775 1.00 11.45 O ATOM 660 CB ARG A 47 8.249 15.192 -10.710 1.00 35.44 C ATOM 661 CG ARG A 47 9.720 14.960 -10.474 1.00 53.32 C ATOM 662 CD ARG A 47 10.493 14.787 -11.748 1.00 1.35 C ATOM 663 NE ARG A 47 10.250 13.503 -12.402 1.00 55.34 N ATOM 664 CZ ARG A 47 11.060 12.988 -13.329 1.00 41.44 C ATOM 665 NH1 ARG A 47 12.097 13.695 -13.784 1.00 31.54 N ATOM 666 NH2 ARG A 47 10.843 11.778 -13.790 1.00 72.31 N ATOM 0 H ARG A 47 9.006 16.685 -8.842 1.00 34.44 H new ATOM 0 HA ARG A 47 6.468 15.758 -9.708 1.00 74.13 H new ATOM 0 HB2 ARG A 47 7.837 14.343 -11.255 1.00 35.44 H new ATOM 0 HB3 ARG A 47 8.124 16.069 -11.345 1.00 35.44 H new ATOM 0 HG2 ARG A 47 10.131 15.802 -9.916 1.00 53.32 H new ATOM 0 HG3 ARG A 47 9.848 14.073 -9.853 1.00 53.32 H new ATOM 0 HD2 ARG A 47 10.232 15.592 -12.435 1.00 1.35 H new ATOM 0 HD3 ARG A 47 11.558 14.882 -11.535 1.00 1.35 H new ATOM 0 HE ARG A 47 9.419 12.974 -12.137 1.00 55.34 H new ATOM 0 HH11 ARG A 47 12.273 14.633 -13.423 1.00 31.54 H new ATOM 0 HH12 ARG A 47 12.714 13.297 -14.493 1.00 31.54 H new ATOM 0 HH21 ARG A 47 10.056 11.232 -13.440 1.00 72.31 H new ATOM 0 HH22 ARG A 47 11.462 11.384 -14.499 1.00 72.31 H new ATOM 680 N ARG A 48 8.272 13.757 -7.885 1.00 73.51 N ATOM 681 CA ARG A 48 8.219 12.619 -7.031 1.00 0.14 C ATOM 682 C ARG A 48 8.539 13.092 -5.641 1.00 32.42 C ATOM 683 O ARG A 48 9.571 13.712 -5.428 1.00 35.32 O ATOM 684 CB ARG A 48 9.198 11.529 -7.473 1.00 40.42 C ATOM 685 CG ARG A 48 8.965 11.021 -8.886 1.00 31.34 C ATOM 686 CD ARG A 48 9.827 9.806 -9.201 1.00 54.33 C ATOM 687 NE ARG A 48 11.273 10.057 -9.074 1.00 43.03 N ATOM 688 CZ ARG A 48 12.132 10.063 -10.105 1.00 40.35 C ATOM 689 NH1 ARG A 48 11.681 10.067 -11.350 1.00 23.42 N ATOM 690 NH2 ARG A 48 13.440 10.087 -9.887 1.00 43.23 N ATOM 0 H ARG A 48 9.146 14.279 -7.829 1.00 73.51 H new ATOM 0 HA ARG A 48 7.226 12.171 -7.072 1.00 0.14 H new ATOM 0 HB2 ARG A 48 10.214 11.917 -7.401 1.00 40.42 H new ATOM 0 HB3 ARG A 48 9.128 10.690 -6.781 1.00 40.42 H new ATOM 0 HG2 ARG A 48 7.913 10.762 -9.010 1.00 31.34 H new ATOM 0 HG3 ARG A 48 9.184 11.816 -9.599 1.00 31.34 H new ATOM 0 HD2 ARG A 48 9.549 8.991 -8.533 1.00 54.33 H new ATOM 0 HD3 ARG A 48 9.613 9.473 -10.217 1.00 54.33 H new ATOM 0 HE ARG A 48 11.646 10.238 -8.142 1.00 43.03 H new ATOM 0 HH11 ARG A 48 10.677 10.066 -11.529 1.00 23.42 H new ATOM 0 HH12 ARG A 48 12.338 10.072 -12.130 1.00 23.42 H new ATOM 0 HH21 ARG A 48 13.798 10.101 -8.932 1.00 43.23 H new ATOM 0 HH22 ARG A 48 14.088 10.091 -10.674 1.00 43.23 H new ATOM 704 N HIS A 49 7.610 12.895 -4.760 1.00 21.33 N ATOM 705 CA HIS A 49 7.704 13.269 -3.360 1.00 23.22 C ATOM 706 C HIS A 49 7.928 12.041 -2.523 1.00 14.31 C ATOM 707 O HIS A 49 8.618 12.073 -1.528 1.00 30.22 O ATOM 708 CB HIS A 49 6.418 14.025 -2.893 1.00 24.33 C ATOM 709 CG HIS A 49 6.285 14.205 -1.383 1.00 51.53 C ATOM 710 ND1 HIS A 49 6.786 15.300 -0.731 1.00 2.42 N ATOM 711 CD2 HIS A 49 5.752 13.353 -0.464 1.00 31.40 C ATOM 712 CE1 HIS A 49 6.559 15.076 0.562 1.00 34.12 C ATOM 713 NE2 HIS A 49 5.942 13.917 0.765 1.00 34.42 N ATOM 0 H HIS A 49 6.722 12.451 -4.994 1.00 21.33 H new ATOM 0 HA HIS A 49 8.549 13.946 -3.236 1.00 23.22 H new ATOM 0 HB2 HIS A 49 6.402 15.008 -3.363 1.00 24.33 H new ATOM 0 HB3 HIS A 49 5.545 13.484 -3.257 1.00 24.33 H new ATOM 0 HD2 HIS A 49 5.270 12.409 -0.669 1.00 31.40 H new ATOM 0 HE1 HIS A 49 6.843 15.756 1.352 1.00 34.12 H new ATOM 0 HE2 HIS A 49 5.664 13.525 1.665 1.00 34.42 H new ATOM 721 N LEU A 50 7.320 10.968 -2.922 1.00 45.13 N ATOM 722 CA LEU A 50 7.370 9.764 -2.170 1.00 13.32 C ATOM 723 C LEU A 50 6.879 8.647 -3.038 1.00 52.11 C ATOM 724 O LEU A 50 6.106 8.878 -3.957 1.00 21.42 O ATOM 725 CB LEU A 50 6.504 9.951 -0.897 1.00 41.21 C ATOM 726 CG LEU A 50 6.357 8.787 0.074 1.00 62.24 C ATOM 727 CD1 LEU A 50 6.110 9.342 1.456 1.00 42.51 C ATOM 728 CD2 LEU A 50 5.169 7.928 -0.319 1.00 41.34 C ATOM 0 H LEU A 50 6.775 10.907 -3.782 1.00 45.13 H new ATOM 0 HA LEU A 50 8.384 9.520 -1.853 1.00 13.32 H new ATOM 0 HB2 LEU A 50 6.915 10.794 -0.341 1.00 41.21 H new ATOM 0 HB3 LEU A 50 5.503 10.239 -1.219 1.00 41.21 H new ATOM 0 HG LEU A 50 7.264 8.183 0.054 1.00 62.24 H new ATOM 0 HD11 LEU A 50 6.002 8.520 2.164 1.00 42.51 H new ATOM 0 HD12 LEU A 50 6.951 9.968 1.752 1.00 42.51 H new ATOM 0 HD13 LEU A 50 5.198 9.938 1.451 1.00 42.51 H new ATOM 0 HD21 LEU A 50 5.072 7.098 0.381 1.00 41.34 H new ATOM 0 HD22 LEU A 50 4.261 8.530 -0.296 1.00 41.34 H new ATOM 0 HD23 LEU A 50 5.319 7.537 -1.325 1.00 41.34 H new ATOM 740 N GLU A 51 7.356 7.478 -2.793 1.00 23.01 N ATOM 741 CA GLU A 51 6.915 6.313 -3.519 1.00 35.24 C ATOM 742 C GLU A 51 6.691 5.164 -2.576 1.00 31.24 C ATOM 743 O GLU A 51 7.434 4.985 -1.596 1.00 44.32 O ATOM 744 CB GLU A 51 7.903 5.934 -4.619 1.00 31.41 C ATOM 745 CG GLU A 51 9.326 5.772 -4.137 1.00 35.00 C ATOM 746 CD GLU A 51 10.283 5.472 -5.247 1.00 61.22 C ATOM 747 OE1 GLU A 51 10.419 4.290 -5.638 1.00 1.21 O ATOM 748 OE2 GLU A 51 10.952 6.392 -5.727 1.00 53.31 O ATOM 0 H GLU A 51 8.065 7.289 -2.084 1.00 23.01 H new ATOM 0 HA GLU A 51 5.968 6.554 -4.002 1.00 35.24 H new ATOM 0 HB2 GLU A 51 7.578 5.001 -5.080 1.00 31.41 H new ATOM 0 HB3 GLU A 51 7.878 6.699 -5.395 1.00 31.41 H new ATOM 0 HG2 GLU A 51 9.639 6.685 -3.630 1.00 35.00 H new ATOM 0 HG3 GLU A 51 9.366 4.969 -3.401 1.00 35.00 H new ATOM 755 N ILE A 52 5.673 4.411 -2.842 1.00 12.51 N ATOM 756 CA ILE A 52 5.350 3.275 -2.052 1.00 71.20 C ATOM 757 C ILE A 52 5.369 2.042 -2.915 1.00 24.11 C ATOM 758 O ILE A 52 4.627 1.942 -3.890 1.00 64.45 O ATOM 759 CB ILE A 52 3.964 3.388 -1.374 1.00 51.15 C ATOM 760 CG1 ILE A 52 3.889 4.643 -0.497 1.00 32.43 C ATOM 761 CG2 ILE A 52 3.721 2.141 -0.535 1.00 55.44 C ATOM 762 CD1 ILE A 52 2.531 4.893 0.130 1.00 63.03 C ATOM 0 H ILE A 52 5.037 4.572 -3.623 1.00 12.51 H new ATOM 0 HA ILE A 52 6.099 3.214 -1.263 1.00 71.20 H new ATOM 0 HB ILE A 52 3.194 3.470 -2.141 1.00 51.15 H new ATOM 0 HG12 ILE A 52 4.632 4.561 0.297 1.00 32.43 H new ATOM 0 HG13 ILE A 52 4.161 5.509 -1.100 1.00 32.43 H new ATOM 0 HG21 ILE A 52 2.746 2.211 -0.053 1.00 55.44 H new ATOM 0 HG22 ILE A 52 3.746 1.260 -1.177 1.00 55.44 H new ATOM 0 HG23 ILE A 52 4.497 2.058 0.226 1.00 55.44 H new ATOM 0 HD11 ILE A 52 2.570 5.800 0.733 1.00 63.03 H new ATOM 0 HD12 ILE A 52 1.784 5.011 -0.655 1.00 63.03 H new ATOM 0 HD13 ILE A 52 2.262 4.048 0.764 1.00 63.03 H new ATOM 774 N ARG A 53 6.226 1.129 -2.589 1.00 12.42 N ATOM 775 CA ARG A 53 6.266 -0.120 -3.279 1.00 45.44 C ATOM 776 C ARG A 53 5.372 -1.072 -2.541 1.00 43.22 C ATOM 777 O ARG A 53 5.657 -1.444 -1.397 1.00 75.22 O ATOM 778 CB ARG A 53 7.680 -0.684 -3.351 1.00 24.54 C ATOM 779 CG ARG A 53 7.775 -1.976 -4.134 1.00 53.44 C ATOM 780 CD ARG A 53 9.164 -2.565 -4.051 1.00 12.20 C ATOM 781 NE ARG A 53 9.272 -3.788 -4.842 1.00 52.33 N ATOM 782 CZ ARG A 53 10.112 -4.800 -4.602 1.00 4.11 C ATOM 783 NH1 ARG A 53 10.937 -4.766 -3.561 1.00 43.40 N ATOM 784 NH2 ARG A 53 10.127 -5.843 -5.418 1.00 60.43 N ATOM 0 H ARG A 53 6.914 1.226 -1.842 1.00 12.42 H new ATOM 0 HA ARG A 53 5.930 0.024 -4.306 1.00 45.44 H new ATOM 0 HB2 ARG A 53 8.336 0.057 -3.808 1.00 24.54 H new ATOM 0 HB3 ARG A 53 8.047 -0.854 -2.339 1.00 24.54 H new ATOM 0 HG2 ARG A 53 7.050 -2.692 -3.748 1.00 53.44 H new ATOM 0 HG3 ARG A 53 7.517 -1.792 -5.177 1.00 53.44 H new ATOM 0 HD2 ARG A 53 9.892 -1.835 -4.405 1.00 12.20 H new ATOM 0 HD3 ARG A 53 9.408 -2.780 -3.011 1.00 12.20 H new ATOM 0 HE ARG A 53 8.653 -3.878 -5.648 1.00 52.33 H new ATOM 0 HH11 ARG A 53 10.934 -3.961 -2.934 1.00 43.40 H new ATOM 0 HH12 ARG A 53 11.573 -5.545 -3.389 1.00 43.40 H new ATOM 0 HH21 ARG A 53 9.501 -5.870 -6.223 1.00 60.43 H new ATOM 0 HH22 ARG A 53 10.765 -6.619 -5.242 1.00 60.43 H new ATOM 798 N TRP A 54 4.294 -1.420 -3.142 1.00 1.51 N ATOM 799 CA TRP A 54 3.380 -2.316 -2.536 1.00 51.13 C ATOM 800 C TRP A 54 3.471 -3.672 -3.205 1.00 62.04 C ATOM 801 O TRP A 54 3.399 -3.791 -4.439 1.00 24.44 O ATOM 802 CB TRP A 54 1.942 -1.755 -2.563 1.00 33.23 C ATOM 803 CG TRP A 54 0.884 -2.744 -2.106 1.00 41.43 C ATOM 804 CD1 TRP A 54 -0.157 -3.223 -2.837 1.00 14.42 C ATOM 805 CD2 TRP A 54 0.795 -3.393 -0.828 1.00 42.13 C ATOM 806 NE1 TRP A 54 -0.878 -4.127 -2.098 1.00 62.33 N ATOM 807 CE2 TRP A 54 -0.318 -4.245 -0.868 1.00 12.11 C ATOM 808 CE3 TRP A 54 1.544 -3.338 0.332 1.00 73.11 C ATOM 809 CZ2 TRP A 54 -0.693 -5.031 0.214 1.00 70.11 C ATOM 810 CZ3 TRP A 54 1.173 -4.114 1.405 1.00 3.33 C ATOM 811 CH2 TRP A 54 0.067 -4.952 1.340 1.00 63.50 C ATOM 0 H TRP A 54 4.020 -1.092 -4.068 1.00 1.51 H new ATOM 0 HA TRP A 54 3.647 -2.435 -1.486 1.00 51.13 H new ATOM 0 HB2 TRP A 54 1.896 -0.870 -1.928 1.00 33.23 H new ATOM 0 HB3 TRP A 54 1.708 -1.432 -3.577 1.00 33.23 H new ATOM 0 HD1 TRP A 54 -0.384 -2.934 -3.853 1.00 14.42 H new ATOM 0 HE1 TRP A 54 -1.704 -4.630 -2.422 1.00 62.33 H new ATOM 0 HE3 TRP A 54 2.409 -2.694 0.395 1.00 73.11 H new ATOM 0 HZ2 TRP A 54 -1.555 -5.680 0.164 1.00 70.11 H new ATOM 0 HZ3 TRP A 54 1.752 -4.071 2.315 1.00 3.33 H new ATOM 0 HH2 TRP A 54 -0.195 -5.552 2.199 1.00 63.50 H new ATOM 822 N ASP A 55 3.673 -4.665 -2.407 1.00 2.41 N ATOM 823 CA ASP A 55 3.725 -6.025 -2.851 1.00 22.44 C ATOM 824 C ASP A 55 2.977 -6.818 -1.805 1.00 71.34 C ATOM 825 O ASP A 55 2.631 -6.251 -0.762 1.00 35.32 O ATOM 826 CB ASP A 55 5.185 -6.503 -2.964 1.00 70.31 C ATOM 827 CG ASP A 55 5.320 -7.784 -3.760 1.00 44.35 C ATOM 828 OD1 ASP A 55 5.407 -7.713 -5.004 1.00 52.41 O ATOM 829 OD2 ASP A 55 5.329 -8.881 -3.173 1.00 44.51 O ATOM 0 H ASP A 55 3.810 -4.556 -1.402 1.00 2.41 H new ATOM 0 HA ASP A 55 3.282 -6.147 -3.839 1.00 22.44 H new ATOM 0 HB2 ASP A 55 5.783 -5.723 -3.435 1.00 70.31 H new ATOM 0 HB3 ASP A 55 5.591 -6.657 -1.964 1.00 70.31 H new ATOM 834 N GLY A 56 2.737 -8.085 -2.034 1.00 53.44 N ATOM 835 CA GLY A 56 1.978 -8.877 -1.090 1.00 33.34 C ATOM 836 C GLY A 56 2.802 -9.271 0.128 1.00 52.51 C ATOM 837 O GLY A 56 3.176 -10.437 0.285 1.00 53.33 O ATOM 0 H GLY A 56 3.053 -8.591 -2.861 1.00 53.44 H new ATOM 0 HA2 GLY A 56 1.103 -8.313 -0.767 1.00 33.34 H new ATOM 0 HA3 GLY A 56 1.612 -9.777 -1.585 1.00 33.34 H new ATOM 841 N GLN A 57 3.121 -8.288 0.949 1.00 74.03 N ATOM 842 CA GLN A 57 3.860 -8.474 2.176 1.00 22.15 C ATOM 843 C GLN A 57 3.670 -7.232 3.049 1.00 44.31 C ATOM 844 O GLN A 57 2.854 -7.232 3.971 1.00 72.21 O ATOM 845 CB GLN A 57 5.360 -8.708 1.889 1.00 73.10 C ATOM 846 CG GLN A 57 6.188 -9.060 3.117 1.00 73.05 C ATOM 847 CD GLN A 57 7.662 -9.171 2.807 1.00 41.44 C ATOM 848 OE1 GLN A 57 8.160 -10.235 2.454 1.00 1.31 O ATOM 849 NE2 GLN A 57 8.370 -8.086 2.948 1.00 33.14 N ATOM 0 H GLN A 57 2.866 -7.316 0.774 1.00 74.03 H new ATOM 0 HA GLN A 57 3.485 -9.356 2.695 1.00 22.15 H new ATOM 0 HB2 GLN A 57 5.457 -9.511 1.158 1.00 73.10 H new ATOM 0 HB3 GLN A 57 5.774 -7.809 1.432 1.00 73.10 H new ATOM 0 HG2 GLN A 57 6.037 -8.300 3.883 1.00 73.05 H new ATOM 0 HG3 GLN A 57 5.835 -10.004 3.531 1.00 73.05 H new ATOM 0 HE21 GLN A 57 7.921 -7.219 3.243 1.00 33.14 H new ATOM 0 HE22 GLN A 57 9.373 -8.104 2.763 1.00 33.14 H new ATOM 858 N VAL A 58 4.373 -6.156 2.696 1.00 34.34 N ATOM 859 CA VAL A 58 4.329 -4.888 3.423 1.00 60.23 C ATOM 860 C VAL A 58 4.413 -3.749 2.424 1.00 62.01 C ATOM 861 O VAL A 58 4.846 -3.956 1.282 1.00 64.30 O ATOM 862 CB VAL A 58 5.491 -4.724 4.471 1.00 33.35 C ATOM 863 CG1 VAL A 58 5.387 -5.737 5.602 1.00 62.32 C ATOM 864 CG2 VAL A 58 6.862 -4.806 3.805 1.00 42.11 C ATOM 0 H VAL A 58 4.996 -6.140 1.888 1.00 34.34 H new ATOM 0 HA VAL A 58 3.392 -4.874 3.980 1.00 60.23 H new ATOM 0 HB VAL A 58 5.381 -3.730 4.905 1.00 33.35 H new ATOM 0 HG11 VAL A 58 6.209 -5.587 6.302 1.00 62.32 H new ATOM 0 HG12 VAL A 58 4.439 -5.605 6.123 1.00 62.32 H new ATOM 0 HG13 VAL A 58 5.439 -6.746 5.193 1.00 62.32 H new ATOM 0 HG21 VAL A 58 7.640 -4.689 4.559 1.00 42.11 H new ATOM 0 HG22 VAL A 58 6.972 -5.775 3.317 1.00 42.11 H new ATOM 0 HG23 VAL A 58 6.954 -4.013 3.062 1.00 42.11 H new ATOM 874 N ALA A 59 3.981 -2.578 2.827 1.00 50.45 N ATOM 875 CA ALA A 59 4.043 -1.420 1.968 1.00 33.03 C ATOM 876 C ALA A 59 5.309 -0.657 2.259 1.00 1.23 C ATOM 877 O ALA A 59 5.511 -0.147 3.368 1.00 30.44 O ATOM 878 CB ALA A 59 2.808 -0.548 2.141 1.00 52.14 C ATOM 0 H ALA A 59 3.581 -2.402 3.749 1.00 50.45 H new ATOM 0 HA ALA A 59 4.059 -1.740 0.926 1.00 33.03 H new ATOM 0 HB1 ALA A 59 2.879 0.318 1.483 1.00 52.14 H new ATOM 0 HB2 ALA A 59 1.918 -1.124 1.888 1.00 52.14 H new ATOM 0 HB3 ALA A 59 2.741 -0.213 3.176 1.00 52.14 H new ATOM 884 N LEU A 60 6.165 -0.612 1.288 1.00 61.12 N ATOM 885 CA LEU A 60 7.450 0.006 1.422 1.00 61.21 C ATOM 886 C LEU A 60 7.373 1.500 1.150 1.00 21.42 C ATOM 887 O LEU A 60 7.185 1.931 0.012 1.00 54.31 O ATOM 888 CB LEU A 60 8.414 -0.644 0.466 1.00 33.02 C ATOM 889 CG LEU A 60 9.834 -0.127 0.483 1.00 15.51 C ATOM 890 CD1 LEU A 60 10.498 -0.422 1.817 1.00 43.21 C ATOM 891 CD2 LEU A 60 10.597 -0.736 -0.665 1.00 1.23 C ATOM 0 H LEU A 60 5.990 -1.009 0.365 1.00 61.12 H new ATOM 0 HA LEU A 60 7.797 -0.129 2.446 1.00 61.21 H new ATOM 0 HB2 LEU A 60 8.438 -1.713 0.680 1.00 33.02 H new ATOM 0 HB3 LEU A 60 8.022 -0.530 -0.544 1.00 33.02 H new ATOM 0 HG LEU A 60 9.830 0.956 0.362 1.00 15.51 H new ATOM 0 HD11 LEU A 60 11.519 -0.041 1.807 1.00 43.21 H new ATOM 0 HD12 LEU A 60 9.938 0.062 2.617 1.00 43.21 H new ATOM 0 HD13 LEU A 60 10.514 -1.499 1.985 1.00 43.21 H new ATOM 0 HD21 LEU A 60 11.622 -0.366 -0.657 1.00 1.23 H new ATOM 0 HD22 LEU A 60 10.602 -1.821 -0.564 1.00 1.23 H new ATOM 0 HD23 LEU A 60 10.119 -0.462 -1.606 1.00 1.23 H new ATOM 903 N LEU A 61 7.547 2.255 2.180 1.00 62.35 N ATOM 904 CA LEU A 61 7.487 3.691 2.149 1.00 1.11 C ATOM 905 C LEU A 61 8.894 4.224 1.848 1.00 54.52 C ATOM 906 O LEU A 61 9.862 3.811 2.487 1.00 1.30 O ATOM 907 CB LEU A 61 6.979 4.152 3.553 1.00 33.54 C ATOM 908 CG LEU A 61 6.648 5.642 3.844 1.00 71.32 C ATOM 909 CD1 LEU A 61 7.852 6.574 3.753 1.00 3.43 C ATOM 910 CD2 LEU A 61 5.513 6.116 2.966 1.00 52.33 C ATOM 0 H LEU A 61 7.743 1.881 3.109 1.00 62.35 H new ATOM 0 HA LEU A 61 6.814 4.070 1.380 1.00 1.11 H new ATOM 0 HB2 LEU A 61 6.077 3.579 3.768 1.00 33.54 H new ATOM 0 HB3 LEU A 61 7.732 3.846 4.279 1.00 33.54 H new ATOM 0 HG LEU A 61 6.332 5.685 4.886 1.00 71.32 H new ATOM 0 HD11 LEU A 61 7.539 7.595 3.969 1.00 3.43 H new ATOM 0 HD12 LEU A 61 8.607 6.265 4.476 1.00 3.43 H new ATOM 0 HD13 LEU A 61 8.272 6.528 2.748 1.00 3.43 H new ATOM 0 HD21 LEU A 61 5.296 7.162 3.185 1.00 52.33 H new ATOM 0 HD22 LEU A 61 5.797 6.016 1.918 1.00 52.33 H new ATOM 0 HD23 LEU A 61 4.626 5.513 3.161 1.00 52.33 H new ATOM 922 N ALA A 62 9.002 5.083 0.860 1.00 0.13 N ATOM 923 CA ALA A 62 10.254 5.735 0.533 1.00 14.03 C ATOM 924 C ALA A 62 9.993 7.210 0.269 1.00 22.33 C ATOM 925 O ALA A 62 9.180 7.554 -0.594 1.00 64.11 O ATOM 926 CB ALA A 62 10.914 5.080 -0.673 1.00 14.22 C ATOM 0 H ALA A 62 8.224 5.351 0.258 1.00 0.13 H new ATOM 0 HA ALA A 62 10.939 5.633 1.375 1.00 14.03 H new ATOM 0 HB1 ALA A 62 11.852 5.589 -0.896 1.00 14.22 H new ATOM 0 HB2 ALA A 62 11.114 4.031 -0.453 1.00 14.22 H new ATOM 0 HB3 ALA A 62 10.249 5.150 -1.534 1.00 14.22 H new ATOM 932 N ASP A 63 10.660 8.055 1.015 1.00 23.11 N ATOM 933 CA ASP A 63 10.483 9.513 0.932 1.00 51.52 C ATOM 934 C ASP A 63 11.463 10.100 -0.064 1.00 53.44 C ATOM 935 O ASP A 63 12.663 9.772 -0.039 1.00 41.53 O ATOM 936 CB ASP A 63 10.689 10.155 2.322 1.00 11.14 C ATOM 937 CG ASP A 63 10.661 11.686 2.322 1.00 1.24 C ATOM 938 OD1 ASP A 63 9.556 12.268 2.460 1.00 64.34 O ATOM 939 OD2 ASP A 63 11.761 12.313 2.236 1.00 51.03 O ATOM 0 H ASP A 63 11.350 7.764 1.707 1.00 23.11 H new ATOM 0 HA ASP A 63 9.468 9.725 0.595 1.00 51.52 H new ATOM 0 HB2 ASP A 63 9.914 9.790 2.996 1.00 11.14 H new ATOM 0 HB3 ASP A 63 11.645 9.821 2.725 1.00 11.14 H new ATOM 944 N LEU A 64 10.963 10.898 -0.972 1.00 42.20 N ATOM 945 CA LEU A 64 11.791 11.547 -1.949 1.00 25.10 C ATOM 946 C LEU A 64 11.407 13.034 -2.079 1.00 12.34 C ATOM 947 O LEU A 64 10.827 13.438 -3.075 1.00 62.32 O ATOM 948 CB LEU A 64 11.590 10.819 -3.305 1.00 12.23 C ATOM 949 CG LEU A 64 12.392 11.327 -4.506 1.00 5.22 C ATOM 950 CD1 LEU A 64 13.878 11.387 -4.186 1.00 62.25 C ATOM 951 CD2 LEU A 64 12.161 10.419 -5.692 1.00 11.11 C ATOM 0 H LEU A 64 9.970 11.115 -1.053 1.00 42.20 H new ATOM 0 HA LEU A 64 12.837 11.499 -1.645 1.00 25.10 H new ATOM 0 HB2 LEU A 64 11.832 9.766 -3.160 1.00 12.23 H new ATOM 0 HB3 LEU A 64 10.532 10.871 -3.561 1.00 12.23 H new ATOM 0 HG LEU A 64 12.053 12.335 -4.743 1.00 5.22 H new ATOM 0 HD11 LEU A 64 14.423 11.751 -5.057 1.00 62.25 H new ATOM 0 HD12 LEU A 64 14.042 12.062 -3.346 1.00 62.25 H new ATOM 0 HD13 LEU A 64 14.235 10.391 -3.925 1.00 62.25 H new ATOM 0 HD21 LEU A 64 12.733 10.783 -6.546 1.00 11.11 H new ATOM 0 HD22 LEU A 64 12.483 9.408 -5.444 1.00 11.11 H new ATOM 0 HD23 LEU A 64 11.100 10.411 -5.943 1.00 11.11 H new ATOM 963 N ASN A 65 11.798 13.839 -1.107 1.00 41.53 N ATOM 964 CA ASN A 65 11.534 15.294 -1.088 1.00 72.14 C ATOM 965 C ASN A 65 11.883 15.853 0.259 1.00 31.54 C ATOM 966 O ASN A 65 11.170 15.656 1.220 1.00 52.21 O ATOM 967 CB ASN A 65 10.063 15.650 -1.417 1.00 30.52 C ATOM 968 CG ASN A 65 9.793 17.144 -1.434 1.00 45.43 C ATOM 969 OD1 ASN A 65 10.681 17.954 -1.700 1.00 72.13 O ATOM 970 ND2 ASN A 65 8.568 17.516 -1.187 1.00 22.42 N ATOM 0 H ASN A 65 12.315 13.511 -0.292 1.00 41.53 H new ATOM 0 HA ASN A 65 12.157 15.735 -1.866 1.00 72.14 H new ATOM 0 HB2 ASN A 65 9.804 15.231 -2.389 1.00 30.52 H new ATOM 0 HB3 ASN A 65 9.410 15.179 -0.682 1.00 30.52 H new ATOM 0 HD21 ASN A 65 8.321 18.505 -1.211 1.00 22.42 H new ATOM 0 HD22 ASN A 65 7.857 16.818 -0.970 1.00 22.42 H new ATOM 977 N SER A 66 12.959 16.578 0.321 1.00 44.55 N ATOM 978 CA SER A 66 13.436 17.103 1.573 1.00 32.34 C ATOM 979 C SER A 66 12.620 18.348 1.991 1.00 62.12 C ATOM 980 O SER A 66 12.547 18.689 3.175 1.00 62.05 O ATOM 981 CB SER A 66 14.934 17.425 1.446 1.00 41.14 C ATOM 982 OG SER A 66 15.518 17.767 2.691 1.00 64.14 O ATOM 0 H SER A 66 13.531 16.823 -0.487 1.00 44.55 H new ATOM 0 HA SER A 66 13.304 16.357 2.356 1.00 32.34 H new ATOM 0 HB2 SER A 66 15.454 16.563 1.028 1.00 41.14 H new ATOM 0 HB3 SER A 66 15.068 18.249 0.746 1.00 41.14 H new ATOM 0 HG SER A 66 16.470 17.962 2.563 1.00 64.14 H new ATOM 988 N THR A 67 11.992 18.990 1.026 1.00 73.44 N ATOM 989 CA THR A 67 11.210 20.188 1.259 1.00 60.35 C ATOM 990 C THR A 67 9.974 19.907 2.145 1.00 62.22 C ATOM 991 O THR A 67 9.712 20.620 3.121 1.00 74.42 O ATOM 992 CB THR A 67 10.753 20.765 -0.096 1.00 11.14 C ATOM 993 OG1 THR A 67 11.898 20.921 -0.948 1.00 41.45 O ATOM 994 CG2 THR A 67 10.064 22.107 0.082 1.00 64.14 C ATOM 0 H THR A 67 12.010 18.693 0.050 1.00 73.44 H new ATOM 0 HA THR A 67 11.839 20.905 1.787 1.00 60.35 H new ATOM 0 HB THR A 67 10.038 20.075 -0.545 1.00 11.14 H new ATOM 0 HG1 THR A 67 11.615 21.286 -1.812 1.00 41.45 H new ATOM 0 HG21 THR A 67 9.753 22.488 -0.891 1.00 64.14 H new ATOM 0 HG22 THR A 67 9.189 21.985 0.720 1.00 64.14 H new ATOM 0 HG23 THR A 67 10.755 22.812 0.544 1.00 64.14 H new ATOM 1002 N ASN A 68 9.270 18.847 1.831 1.00 33.04 N ATOM 1003 CA ASN A 68 8.006 18.506 2.497 1.00 24.43 C ATOM 1004 C ASN A 68 8.149 17.157 3.174 1.00 41.51 C ATOM 1005 O ASN A 68 7.142 16.479 3.417 1.00 0.44 O ATOM 1006 CB ASN A 68 6.859 18.426 1.455 1.00 73.12 C ATOM 1007 CG ASN A 68 6.603 19.719 0.691 1.00 62.41 C ATOM 1008 OD1 ASN A 68 7.264 19.989 -0.312 1.00 32.14 O ATOM 1009 ND2 ASN A 68 5.604 20.468 1.088 1.00 65.52 N ATOM 0 H ASN A 68 9.546 18.185 1.106 1.00 33.04 H new ATOM 0 HA ASN A 68 7.772 19.275 3.233 1.00 24.43 H new ATOM 0 HB2 ASN A 68 7.090 17.637 0.740 1.00 73.12 H new ATOM 0 HB3 ASN A 68 5.942 18.134 1.966 1.00 73.12 H new ATOM 0 HD21 ASN A 68 5.353 21.304 0.561 1.00 65.52 H new ATOM 0 HD22 ASN A 68 5.077 20.215 1.924 1.00 65.52 H new ATOM 1016 N GLY A 69 9.405 16.842 3.564 1.00 65.22 N ATOM 1017 CA GLY A 69 9.820 15.506 4.041 1.00 14.40 C ATOM 1018 C GLY A 69 8.847 14.831 4.977 1.00 25.12 C ATOM 1019 O GLY A 69 8.387 15.419 5.990 1.00 70.44 O ATOM 0 H GLY A 69 10.168 17.519 3.556 1.00 65.22 H new ATOM 0 HA2 GLY A 69 9.976 14.861 3.177 1.00 14.40 H new ATOM 0 HA3 GLY A 69 10.781 15.600 4.546 1.00 14.40 H new ATOM 1023 N THR A 70 8.550 13.612 4.639 1.00 54.44 N ATOM 1024 CA THR A 70 7.541 12.824 5.270 1.00 25.21 C ATOM 1025 C THR A 70 8.025 12.199 6.603 1.00 31.13 C ATOM 1026 O THR A 70 9.203 11.848 6.773 1.00 21.21 O ATOM 1027 CB THR A 70 7.114 11.721 4.285 1.00 23.14 C ATOM 1028 OG1 THR A 70 6.940 12.314 2.976 1.00 14.33 O ATOM 1029 CG2 THR A 70 5.808 11.080 4.713 1.00 70.44 C ATOM 0 H THR A 70 9.027 13.121 3.883 1.00 54.44 H new ATOM 0 HA THR A 70 6.699 13.469 5.522 1.00 25.21 H new ATOM 0 HB THR A 70 7.885 10.951 4.265 1.00 23.14 H new ATOM 0 HG1 THR A 70 7.803 12.341 2.512 1.00 14.33 H new ATOM 0 HG21 THR A 70 5.532 10.305 3.998 1.00 70.44 H new ATOM 0 HG22 THR A 70 5.927 10.636 5.701 1.00 70.44 H new ATOM 0 HG23 THR A 70 5.025 11.838 4.747 1.00 70.44 H new ATOM 1037 N THR A 71 7.111 12.089 7.534 1.00 35.45 N ATOM 1038 CA THR A 71 7.359 11.510 8.814 1.00 34.15 C ATOM 1039 C THR A 71 6.440 10.327 9.050 1.00 34.42 C ATOM 1040 O THR A 71 5.288 10.341 8.627 1.00 31.34 O ATOM 1041 CB THR A 71 7.144 12.545 9.933 1.00 42.21 C ATOM 1042 OG1 THR A 71 5.923 13.265 9.727 1.00 0.05 O ATOM 1043 CG2 THR A 71 8.283 13.508 10.012 1.00 43.11 C ATOM 0 H THR A 71 6.151 12.411 7.411 1.00 35.45 H new ATOM 0 HA THR A 71 8.396 11.174 8.831 1.00 34.15 H new ATOM 0 HB THR A 71 7.087 11.998 10.874 1.00 42.21 H new ATOM 0 HG1 THR A 71 5.802 13.917 10.448 1.00 0.05 H new ATOM 0 HG21 THR A 71 8.099 14.225 10.812 1.00 43.11 H new ATOM 0 HG22 THR A 71 9.205 12.965 10.217 1.00 43.11 H new ATOM 0 HG23 THR A 71 8.377 14.039 9.064 1.00 43.11 H new ATOM 1051 N VAL A 72 6.959 9.316 9.684 1.00 34.23 N ATOM 1052 CA VAL A 72 6.198 8.149 10.068 1.00 73.11 C ATOM 1053 C VAL A 72 6.232 8.086 11.588 1.00 15.23 C ATOM 1054 O VAL A 72 7.300 8.101 12.197 1.00 11.21 O ATOM 1055 CB VAL A 72 6.771 6.845 9.431 1.00 51.23 C ATOM 1056 CG1 VAL A 72 6.685 6.932 7.914 1.00 61.24 C ATOM 1057 CG2 VAL A 72 8.218 6.660 9.831 1.00 54.02 C ATOM 0 H VAL A 72 7.941 9.273 9.957 1.00 34.23 H new ATOM 0 HA VAL A 72 5.173 8.227 9.705 1.00 73.11 H new ATOM 0 HB VAL A 72 6.185 5.998 9.787 1.00 51.23 H new ATOM 0 HG11 VAL A 72 7.086 6.019 7.474 1.00 61.24 H new ATOM 0 HG12 VAL A 72 5.644 7.052 7.615 1.00 61.24 H new ATOM 0 HG13 VAL A 72 7.263 7.788 7.565 1.00 61.24 H new ATOM 0 HG21 VAL A 72 8.606 5.747 9.380 1.00 54.02 H new ATOM 0 HG22 VAL A 72 8.803 7.512 9.485 1.00 54.02 H new ATOM 0 HG23 VAL A 72 8.289 6.587 10.916 1.00 54.02 H new ATOM 1067 N ASN A 73 5.076 8.150 12.195 1.00 54.50 N ATOM 1068 CA ASN A 73 4.915 8.227 13.664 1.00 14.01 C ATOM 1069 C ASN A 73 5.569 9.514 14.160 1.00 24.13 C ATOM 1070 O ASN A 73 5.982 9.630 15.318 1.00 61.25 O ATOM 1071 CB ASN A 73 5.521 7.005 14.394 1.00 44.52 C ATOM 1072 CG ASN A 73 4.968 5.699 13.895 1.00 22.13 C ATOM 1073 OD1 ASN A 73 3.932 5.219 14.362 1.00 50.52 O ATOM 1074 ND2 ASN A 73 5.662 5.101 12.969 1.00 63.21 N ATOM 0 H ASN A 73 4.189 8.151 11.692 1.00 54.50 H new ATOM 0 HA ASN A 73 3.848 8.226 13.889 1.00 14.01 H new ATOM 0 HB2 ASN A 73 6.603 7.010 14.265 1.00 44.52 H new ATOM 0 HB3 ASN A 73 5.327 7.092 15.463 1.00 44.52 H new ATOM 0 HD21 ASN A 73 5.354 4.200 12.602 1.00 63.21 H new ATOM 0 HD22 ASN A 73 6.513 5.533 12.610 1.00 63.21 H new ATOM 1081 N ASN A 74 5.652 10.480 13.232 1.00 1.10 N ATOM 1082 CA ASN A 74 6.280 11.786 13.419 1.00 33.22 C ATOM 1083 C ASN A 74 7.795 11.728 13.343 1.00 60.03 C ATOM 1084 O ASN A 74 8.470 12.726 13.549 1.00 43.21 O ATOM 1085 CB ASN A 74 5.788 12.559 14.657 1.00 62.00 C ATOM 1086 CG ASN A 74 4.375 13.062 14.487 1.00 0.04 C ATOM 1087 OD1 ASN A 74 3.936 13.341 13.370 1.00 15.12 O ATOM 1088 ND2 ASN A 74 3.661 13.197 15.569 1.00 0.20 N ATOM 0 H ASN A 74 5.266 10.362 12.295 1.00 1.10 H new ATOM 0 HA ASN A 74 5.941 12.373 12.565 1.00 33.22 H new ATOM 0 HB2 ASN A 74 5.839 11.911 15.532 1.00 62.00 H new ATOM 0 HB3 ASN A 74 6.453 13.402 14.845 1.00 62.00 H new ATOM 0 HD21 ASN A 74 2.704 13.544 15.508 1.00 0.20 H new ATOM 0 HD22 ASN A 74 4.059 12.955 16.476 1.00 0.20 H new ATOM 1095 N ALA A 75 8.324 10.576 12.998 1.00 20.01 N ATOM 1096 CA ALA A 75 9.747 10.409 12.825 1.00 22.41 C ATOM 1097 C ALA A 75 10.083 10.572 11.355 1.00 74.02 C ATOM 1098 O ALA A 75 9.554 9.836 10.517 1.00 63.01 O ATOM 1099 CB ALA A 75 10.188 9.031 13.300 1.00 51.51 C ATOM 0 H ALA A 75 7.780 9.730 12.830 1.00 20.01 H new ATOM 0 HA ALA A 75 10.270 11.160 13.417 1.00 22.41 H new ATOM 0 HB1 ALA A 75 11.264 8.925 13.161 1.00 51.51 H new ATOM 0 HB2 ALA A 75 9.946 8.915 14.356 1.00 51.51 H new ATOM 0 HB3 ALA A 75 9.671 8.264 12.723 1.00 51.51 H new ATOM 1105 N PRO A 76 10.896 11.565 10.995 1.00 31.40 N ATOM 1106 CA PRO A 76 11.307 11.748 9.614 1.00 52.40 C ATOM 1107 C PRO A 76 12.266 10.650 9.191 1.00 71.41 C ATOM 1108 O PRO A 76 13.310 10.421 9.838 1.00 44.44 O ATOM 1109 CB PRO A 76 11.994 13.119 9.600 1.00 33.41 C ATOM 1110 CG PRO A 76 12.409 13.367 11.008 1.00 34.43 C ATOM 1111 CD PRO A 76 11.460 12.597 11.891 1.00 3.31 C ATOM 0 HA PRO A 76 10.470 11.701 8.917 1.00 52.40 H new ATOM 0 HB2 PRO A 76 12.854 13.121 8.931 1.00 33.41 H new ATOM 0 HB3 PRO A 76 11.315 13.895 9.248 1.00 33.41 H new ATOM 0 HG2 PRO A 76 13.436 13.041 11.170 1.00 34.43 H new ATOM 0 HG3 PRO A 76 12.372 14.432 11.239 1.00 34.43 H new ATOM 0 HD2 PRO A 76 11.978 12.149 12.739 1.00 3.31 H new ATOM 0 HD3 PRO A 76 10.681 13.242 12.298 1.00 3.31 H new ATOM 1119 N VAL A 77 11.927 9.982 8.124 1.00 4.22 N ATOM 1120 CA VAL A 77 12.701 8.870 7.620 1.00 14.12 C ATOM 1121 C VAL A 77 12.796 8.982 6.126 1.00 31.44 C ATOM 1122 O VAL A 77 12.139 9.827 5.532 1.00 1.31 O ATOM 1123 CB VAL A 77 12.056 7.492 7.967 1.00 4.23 C ATOM 1124 CG1 VAL A 77 12.026 7.244 9.472 1.00 51.12 C ATOM 1125 CG2 VAL A 77 10.654 7.396 7.375 1.00 13.15 C ATOM 0 H VAL A 77 11.097 10.193 7.570 1.00 4.22 H new ATOM 0 HA VAL A 77 13.683 8.913 8.091 1.00 14.12 H new ATOM 0 HB VAL A 77 12.678 6.715 7.523 1.00 4.23 H new ATOM 0 HG11 VAL A 77 11.570 6.275 9.672 1.00 51.12 H new ATOM 0 HG12 VAL A 77 13.044 7.254 9.863 1.00 51.12 H new ATOM 0 HG13 VAL A 77 11.443 8.027 9.958 1.00 51.12 H new ATOM 0 HG21 VAL A 77 10.218 6.429 7.626 1.00 13.15 H new ATOM 0 HG22 VAL A 77 10.031 8.192 7.784 1.00 13.15 H new ATOM 0 HG23 VAL A 77 10.709 7.499 6.291 1.00 13.15 H new ATOM 1135 N GLN A 78 13.637 8.187 5.531 1.00 11.13 N ATOM 1136 CA GLN A 78 13.739 8.131 4.101 1.00 60.51 C ATOM 1137 C GLN A 78 13.132 6.846 3.568 1.00 33.21 C ATOM 1138 O GLN A 78 12.759 6.763 2.403 1.00 53.05 O ATOM 1139 CB GLN A 78 15.184 8.313 3.688 1.00 45.01 C ATOM 1140 CG GLN A 78 15.703 9.685 4.082 1.00 62.14 C ATOM 1141 CD GLN A 78 15.035 10.799 3.287 1.00 65.21 C ATOM 1142 OE1 GLN A 78 15.541 11.218 2.244 1.00 71.00 O ATOM 1143 NE2 GLN A 78 13.874 11.235 3.728 1.00 23.12 N ATOM 0 H GLN A 78 14.272 7.559 6.023 1.00 11.13 H new ATOM 0 HA GLN A 78 13.166 8.946 3.659 1.00 60.51 H new ATOM 0 HB2 GLN A 78 15.797 7.542 4.155 1.00 45.01 H new ATOM 0 HB3 GLN A 78 15.275 8.183 2.610 1.00 45.01 H new ATOM 0 HG2 GLN A 78 15.530 9.846 5.146 1.00 62.14 H new ATOM 0 HG3 GLN A 78 16.781 9.724 3.924 1.00 62.14 H new ATOM 0 HE21 GLN A 78 13.486 10.865 4.596 1.00 23.12 H new ATOM 0 HE22 GLN A 78 13.362 11.943 3.202 1.00 23.12 H new ATOM 1152 N GLU A 79 13.010 5.861 4.435 1.00 73.00 N ATOM 1153 CA GLU A 79 12.376 4.607 4.101 1.00 22.33 C ATOM 1154 C GLU A 79 11.791 3.992 5.361 1.00 3.04 C ATOM 1155 O GLU A 79 12.332 4.188 6.455 1.00 33.20 O ATOM 1156 CB GLU A 79 13.349 3.655 3.389 1.00 13.12 C ATOM 1157 CG GLU A 79 14.595 3.289 4.170 1.00 54.45 C ATOM 1158 CD GLU A 79 15.570 2.542 3.313 1.00 41.42 C ATOM 1159 OE1 GLU A 79 15.518 1.299 3.244 1.00 22.33 O ATOM 1160 OE2 GLU A 79 16.397 3.191 2.645 1.00 52.42 O ATOM 0 H GLU A 79 13.350 5.911 5.395 1.00 73.00 H new ATOM 0 HA GLU A 79 11.565 4.791 3.396 1.00 22.33 H new ATOM 0 HB2 GLU A 79 12.815 2.738 3.140 1.00 13.12 H new ATOM 0 HB3 GLU A 79 13.653 4.112 2.447 1.00 13.12 H new ATOM 0 HG2 GLU A 79 15.065 4.194 4.556 1.00 54.45 H new ATOM 0 HG3 GLU A 79 14.322 2.679 5.031 1.00 54.45 H new ATOM 1167 N TRP A 80 10.684 3.307 5.213 1.00 0.02 N ATOM 1168 CA TRP A 80 9.967 2.717 6.328 1.00 14.51 C ATOM 1169 C TRP A 80 9.046 1.637 5.798 1.00 71.32 C ATOM 1170 O TRP A 80 8.637 1.679 4.637 1.00 3.21 O ATOM 1171 CB TRP A 80 9.162 3.828 7.050 1.00 13.42 C ATOM 1172 CG TRP A 80 8.384 3.427 8.258 1.00 25.53 C ATOM 1173 CD1 TRP A 80 7.069 3.077 8.308 1.00 5.02 C ATOM 1174 CD2 TRP A 80 8.857 3.403 9.601 1.00 0.52 C ATOM 1175 NE1 TRP A 80 6.696 2.835 9.595 1.00 2.22 N ATOM 1176 CE2 TRP A 80 7.776 3.026 10.412 1.00 31.43 C ATOM 1177 CE3 TRP A 80 10.092 3.663 10.198 1.00 52.12 C ATOM 1178 CZ2 TRP A 80 7.891 2.909 11.784 1.00 23.54 C ATOM 1179 CZ3 TRP A 80 10.202 3.546 11.565 1.00 62.13 C ATOM 1180 CH2 TRP A 80 9.104 3.171 12.342 1.00 64.53 C ATOM 0 H TRP A 80 10.247 3.139 4.307 1.00 0.02 H new ATOM 0 HA TRP A 80 10.659 2.269 7.041 1.00 14.51 H new ATOM 0 HB2 TRP A 80 9.858 4.615 7.341 1.00 13.42 H new ATOM 0 HB3 TRP A 80 8.469 4.265 6.331 1.00 13.42 H new ATOM 0 HD1 TRP A 80 6.416 3.002 7.451 1.00 5.02 H new ATOM 0 HE1 TRP A 80 5.763 2.557 9.900 1.00 2.22 H new ATOM 0 HE3 TRP A 80 10.944 3.950 9.599 1.00 52.12 H new ATOM 0 HZ2 TRP A 80 7.047 2.620 12.393 1.00 23.54 H new ATOM 0 HZ3 TRP A 80 11.150 3.747 12.043 1.00 62.13 H new ATOM 0 HH2 TRP A 80 9.220 3.087 13.412 1.00 64.53 H new ATOM 1191 N GLN A 81 8.758 0.665 6.602 1.00 53.03 N ATOM 1192 CA GLN A 81 7.829 -0.361 6.213 1.00 2.42 C ATOM 1193 C GLN A 81 6.504 -0.129 6.929 1.00 40.11 C ATOM 1194 O GLN A 81 6.368 -0.376 8.129 1.00 74.12 O ATOM 1195 CB GLN A 81 8.415 -1.778 6.432 1.00 32.22 C ATOM 1196 CG GLN A 81 8.890 -2.065 7.849 1.00 1.54 C ATOM 1197 CD GLN A 81 9.654 -3.363 7.976 1.00 14.22 C ATOM 1198 OE1 GLN A 81 9.427 -4.327 7.244 1.00 63.50 O ATOM 1199 NE2 GLN A 81 10.564 -3.402 8.906 1.00 45.32 N ATOM 0 H GLN A 81 9.151 0.555 7.537 1.00 53.03 H new ATOM 0 HA GLN A 81 7.641 -0.302 5.141 1.00 2.42 H new ATOM 0 HB2 GLN A 81 7.657 -2.514 6.163 1.00 32.22 H new ATOM 0 HB3 GLN A 81 9.253 -1.918 5.749 1.00 32.22 H new ATOM 0 HG2 GLN A 81 9.524 -1.245 8.185 1.00 1.54 H new ATOM 0 HG3 GLN A 81 8.027 -2.094 8.514 1.00 1.54 H new ATOM 0 HE21 GLN A 81 10.727 -2.585 9.495 1.00 45.32 H new ATOM 0 HE22 GLN A 81 11.115 -4.249 9.046 1.00 45.32 H new ATOM 1208 N LEU A 82 5.553 0.401 6.183 1.00 23.33 N ATOM 1209 CA LEU A 82 4.238 0.772 6.701 1.00 63.22 C ATOM 1210 C LEU A 82 3.518 -0.423 7.288 1.00 21.54 C ATOM 1211 O LEU A 82 3.629 -1.555 6.779 1.00 54.24 O ATOM 1212 CB LEU A 82 3.372 1.330 5.584 1.00 4.44 C ATOM 1213 CG LEU A 82 3.945 2.497 4.793 1.00 44.21 C ATOM 1214 CD1 LEU A 82 3.042 2.842 3.619 1.00 3.35 C ATOM 1215 CD2 LEU A 82 4.111 3.698 5.685 1.00 55.31 C ATOM 0 H LEU A 82 5.668 0.591 5.187 1.00 23.33 H new ATOM 0 HA LEU A 82 4.399 1.520 7.477 1.00 63.22 H new ATOM 0 HB2 LEU A 82 3.153 0.521 4.887 1.00 4.44 H new ATOM 0 HB3 LEU A 82 2.422 1.645 6.015 1.00 4.44 H new ATOM 0 HG LEU A 82 4.921 2.204 4.407 1.00 44.21 H new ATOM 0 HD11 LEU A 82 3.468 3.679 3.066 1.00 3.35 H new ATOM 0 HD12 LEU A 82 2.955 1.978 2.960 1.00 3.35 H new ATOM 0 HD13 LEU A 82 2.054 3.117 3.988 1.00 3.35 H new ATOM 0 HD21 LEU A 82 4.522 4.526 5.107 1.00 55.31 H new ATOM 0 HD22 LEU A 82 3.142 3.985 6.093 1.00 55.31 H new ATOM 0 HD23 LEU A 82 4.790 3.453 6.502 1.00 55.31 H new ATOM 1227 N ALA A 83 2.778 -0.172 8.322 1.00 0.20 N ATOM 1228 CA ALA A 83 1.994 -1.167 8.976 1.00 73.30 C ATOM 1229 C ALA A 83 0.647 -0.572 9.287 1.00 52.33 C ATOM 1230 O ALA A 83 0.459 0.648 9.145 1.00 32.42 O ATOM 1231 CB ALA A 83 2.674 -1.619 10.247 1.00 21.21 C ATOM 0 H ALA A 83 2.702 0.754 8.744 1.00 0.20 H new ATOM 0 HA ALA A 83 1.879 -2.037 8.330 1.00 73.30 H new ATOM 0 HB1 ALA A 83 2.064 -2.379 10.736 1.00 21.21 H new ATOM 0 HB2 ALA A 83 3.652 -2.037 10.008 1.00 21.21 H new ATOM 0 HB3 ALA A 83 2.798 -0.767 10.916 1.00 21.21 H new ATOM 1237 N ASP A 84 -0.278 -1.398 9.696 1.00 60.13 N ATOM 1238 CA ASP A 84 -1.620 -0.946 10.020 1.00 61.44 C ATOM 1239 C ASP A 84 -1.592 -0.073 11.266 1.00 21.34 C ATOM 1240 O ASP A 84 -1.129 -0.503 12.336 1.00 41.51 O ATOM 1241 CB ASP A 84 -2.553 -2.142 10.235 1.00 0.41 C ATOM 1242 CG ASP A 84 -3.993 -1.738 10.512 1.00 72.35 C ATOM 1243 OD1 ASP A 84 -4.358 -1.514 11.680 1.00 23.43 O ATOM 1244 OD2 ASP A 84 -4.783 -1.675 9.574 1.00 73.25 O ATOM 0 H ASP A 84 -0.132 -2.400 9.816 1.00 60.13 H new ATOM 0 HA ASP A 84 -1.998 -0.358 9.184 1.00 61.44 H new ATOM 0 HB2 ASP A 84 -2.525 -2.779 9.351 1.00 0.41 H new ATOM 0 HB3 ASP A 84 -2.183 -2.738 11.069 1.00 0.41 H new ATOM 1249 N GLY A 85 -2.011 1.157 11.107 1.00 12.31 N ATOM 1250 CA GLY A 85 -2.082 2.065 12.215 1.00 54.43 C ATOM 1251 C GLY A 85 -0.888 2.991 12.315 1.00 43.21 C ATOM 1252 O GLY A 85 -0.738 3.690 13.322 1.00 22.33 O ATOM 0 H GLY A 85 -2.309 1.551 10.214 1.00 12.31 H new ATOM 0 HA2 GLY A 85 -2.989 2.663 12.127 1.00 54.43 H new ATOM 0 HA3 GLY A 85 -2.166 1.493 13.139 1.00 54.43 H new ATOM 1256 N ASP A 86 -0.034 3.014 11.288 1.00 24.20 N ATOM 1257 CA ASP A 86 1.135 3.903 11.326 1.00 10.14 C ATOM 1258 C ASP A 86 0.676 5.291 10.900 1.00 12.03 C ATOM 1259 O ASP A 86 -0.247 5.413 10.058 1.00 45.23 O ATOM 1260 CB ASP A 86 2.280 3.408 10.403 1.00 4.11 C ATOM 1261 CG ASP A 86 3.631 3.936 10.819 1.00 42.22 C ATOM 1262 OD1 ASP A 86 3.933 5.094 10.548 1.00 2.14 O ATOM 1263 OD2 ASP A 86 4.410 3.163 11.449 1.00 42.41 O ATOM 0 H ASP A 86 -0.122 2.448 10.444 1.00 24.20 H new ATOM 0 HA ASP A 86 1.539 3.917 12.338 1.00 10.14 H new ATOM 0 HB2 ASP A 86 2.302 2.318 10.410 1.00 4.11 H new ATOM 0 HB3 ASP A 86 2.074 3.716 9.378 1.00 4.11 H new ATOM 1268 N VAL A 87 1.270 6.318 11.463 1.00 43.24 N ATOM 1269 CA VAL A 87 0.860 7.677 11.167 1.00 22.05 C ATOM 1270 C VAL A 87 1.871 8.310 10.239 1.00 12.02 C ATOM 1271 O VAL A 87 2.995 8.578 10.629 1.00 13.52 O ATOM 1272 CB VAL A 87 0.755 8.551 12.456 1.00 61.41 C ATOM 1273 CG1 VAL A 87 0.206 9.940 12.132 1.00 43.04 C ATOM 1274 CG2 VAL A 87 -0.101 7.868 13.514 1.00 64.41 C ATOM 0 H VAL A 87 2.039 6.241 12.129 1.00 43.24 H new ATOM 0 HA VAL A 87 -0.125 7.631 10.704 1.00 22.05 H new ATOM 0 HB VAL A 87 1.761 8.668 12.860 1.00 61.41 H new ATOM 0 HG11 VAL A 87 0.143 10.529 13.047 1.00 43.04 H new ATOM 0 HG12 VAL A 87 0.870 10.438 11.425 1.00 43.04 H new ATOM 0 HG13 VAL A 87 -0.787 9.845 11.692 1.00 43.04 H new ATOM 0 HG21 VAL A 87 -0.156 8.500 14.401 1.00 64.41 H new ATOM 0 HG22 VAL A 87 -1.105 7.706 13.121 1.00 64.41 H new ATOM 0 HG23 VAL A 87 0.344 6.909 13.779 1.00 64.41 H new ATOM 1284 N ILE A 88 1.466 8.579 9.048 1.00 4.11 N ATOM 1285 CA ILE A 88 2.335 9.159 8.071 1.00 50.22 C ATOM 1286 C ILE A 88 1.934 10.618 7.919 1.00 74.34 C ATOM 1287 O ILE A 88 0.769 10.925 7.754 1.00 34.35 O ATOM 1288 CB ILE A 88 2.255 8.402 6.683 1.00 10.11 C ATOM 1289 CG1 ILE A 88 2.884 6.983 6.737 1.00 52.00 C ATOM 1290 CG2 ILE A 88 2.934 9.199 5.581 1.00 24.33 C ATOM 1291 CD1 ILE A 88 2.220 5.977 7.657 1.00 14.54 C ATOM 0 H ILE A 88 0.517 8.404 8.716 1.00 4.11 H new ATOM 0 HA ILE A 88 3.370 9.074 8.401 1.00 50.22 H new ATOM 0 HB ILE A 88 1.193 8.297 6.463 1.00 10.11 H new ATOM 0 HG12 ILE A 88 2.884 6.572 5.727 1.00 52.00 H new ATOM 0 HG13 ILE A 88 3.926 7.084 7.040 1.00 52.00 H new ATOM 0 HG21 ILE A 88 2.862 8.653 4.640 1.00 24.33 H new ATOM 0 HG22 ILE A 88 2.444 10.167 5.477 1.00 24.33 H new ATOM 0 HG23 ILE A 88 3.983 9.349 5.834 1.00 24.33 H new ATOM 0 HD11 ILE A 88 2.753 5.028 7.604 1.00 14.54 H new ATOM 0 HD12 ILE A 88 2.244 6.350 8.681 1.00 14.54 H new ATOM 0 HD13 ILE A 88 1.185 5.829 7.348 1.00 14.54 H new ATOM 1303 N ARG A 89 2.857 11.511 8.036 1.00 0.14 N ATOM 1304 CA ARG A 89 2.528 12.900 7.929 1.00 60.10 C ATOM 1305 C ARG A 89 3.557 13.560 7.030 1.00 11.42 C ATOM 1306 O ARG A 89 4.744 13.306 7.155 1.00 40.35 O ATOM 1307 CB ARG A 89 2.490 13.520 9.353 1.00 11.34 C ATOM 1308 CG ARG A 89 1.641 14.793 9.512 1.00 13.33 C ATOM 1309 CD ARG A 89 2.230 16.007 8.827 1.00 25.01 C ATOM 1310 NE ARG A 89 3.505 16.401 9.418 1.00 70.13 N ATOM 1311 CZ ARG A 89 4.030 17.626 9.354 1.00 3.11 C ATOM 1312 NH1 ARG A 89 3.400 18.590 8.696 1.00 14.31 N ATOM 1313 NH2 ARG A 89 5.189 17.879 9.949 1.00 3.25 N ATOM 0 H ARG A 89 3.843 11.310 8.205 1.00 0.14 H new ATOM 0 HA ARG A 89 1.544 13.052 7.485 1.00 60.10 H new ATOM 0 HB2 ARG A 89 2.113 12.767 10.045 1.00 11.34 H new ATOM 0 HB3 ARG A 89 3.512 13.749 9.656 1.00 11.34 H new ATOM 0 HG2 ARG A 89 0.645 14.607 9.110 1.00 13.33 H new ATOM 0 HG3 ARG A 89 1.521 15.009 10.574 1.00 13.33 H new ATOM 0 HD2 ARG A 89 2.372 15.793 7.768 1.00 25.01 H new ATOM 0 HD3 ARG A 89 1.527 16.838 8.893 1.00 25.01 H new ATOM 0 HE ARG A 89 4.034 15.686 9.917 1.00 70.13 H new ATOM 0 HH11 ARG A 89 2.510 18.396 8.236 1.00 14.31 H new ATOM 0 HH12 ARG A 89 3.805 19.525 8.650 1.00 14.31 H new ATOM 0 HH21 ARG A 89 5.676 17.138 10.453 1.00 3.25 H new ATOM 0 HH22 ARG A 89 5.593 18.814 9.902 1.00 3.25 H new ATOM 1327 N LEU A 90 3.102 14.361 6.119 1.00 73.32 N ATOM 1328 CA LEU A 90 3.978 15.042 5.184 1.00 72.42 C ATOM 1329 C LEU A 90 3.655 16.501 5.247 1.00 74.40 C ATOM 1330 O LEU A 90 2.602 16.854 5.763 1.00 22.34 O ATOM 1331 CB LEU A 90 3.816 14.524 3.723 1.00 23.05 C ATOM 1332 CG LEU A 90 2.439 14.718 3.024 1.00 61.54 C ATOM 1333 CD1 LEU A 90 2.580 14.489 1.533 1.00 70.44 C ATOM 1334 CD2 LEU A 90 1.391 13.753 3.570 1.00 32.22 C ATOM 0 H LEU A 90 2.112 14.570 5.992 1.00 73.32 H new ATOM 0 HA LEU A 90 5.013 14.847 5.465 1.00 72.42 H new ATOM 0 HB2 LEU A 90 4.573 15.014 3.110 1.00 23.05 H new ATOM 0 HB3 LEU A 90 4.044 13.458 3.720 1.00 23.05 H new ATOM 0 HG LEU A 90 2.112 15.739 3.223 1.00 61.54 H new ATOM 0 HD11 LEU A 90 1.612 14.627 1.051 1.00 70.44 H new ATOM 0 HD12 LEU A 90 3.295 15.201 1.121 1.00 70.44 H new ATOM 0 HD13 LEU A 90 2.934 13.474 1.353 1.00 70.44 H new ATOM 0 HD21 LEU A 90 0.443 13.918 3.058 1.00 32.22 H new ATOM 0 HD22 LEU A 90 1.719 12.727 3.404 1.00 32.22 H new ATOM 0 HD23 LEU A 90 1.261 13.924 4.639 1.00 32.22 H new ATOM 1346 N GLY A 91 4.534 17.352 4.764 1.00 52.24 N ATOM 1347 CA GLY A 91 4.231 18.766 4.785 1.00 53.10 C ATOM 1348 C GLY A 91 3.172 19.113 3.760 1.00 12.34 C ATOM 1349 O GLY A 91 3.497 19.493 2.636 1.00 13.30 O ATOM 0 H GLY A 91 5.438 17.101 4.363 1.00 52.24 H new ATOM 0 HA2 GLY A 91 3.887 19.052 5.779 1.00 53.10 H new ATOM 0 HA3 GLY A 91 5.137 19.338 4.584 1.00 53.10 H new ATOM 1353 N HIS A 92 1.912 18.984 4.185 1.00 22.10 N ATOM 1354 CA HIS A 92 0.707 19.226 3.395 1.00 71.25 C ATOM 1355 C HIS A 92 -0.499 18.714 4.171 1.00 22.21 C ATOM 1356 O HIS A 92 -1.490 19.431 4.345 1.00 23.52 O ATOM 1357 CB HIS A 92 0.748 18.530 1.991 1.00 12.32 C ATOM 1358 CG HIS A 92 -0.545 18.637 1.198 1.00 71.14 C ATOM 1359 ND1 HIS A 92 -0.914 19.731 0.449 1.00 33.22 N ATOM 1360 CD2 HIS A 92 -1.579 17.757 1.095 1.00 2.24 C ATOM 1361 CE1 HIS A 92 -2.130 19.495 -0.061 1.00 15.20 C ATOM 1362 NE2 HIS A 92 -2.577 18.305 0.302 1.00 52.31 N ATOM 0 H HIS A 92 1.697 18.693 5.139 1.00 22.10 H new ATOM 0 HA HIS A 92 0.640 20.300 3.219 1.00 71.25 H new ATOM 0 HB2 HIS A 92 1.556 18.968 1.405 1.00 12.32 H new ATOM 0 HB3 HIS A 92 0.989 17.476 2.129 1.00 12.32 H new ATOM 0 HD1 HIS A 92 -0.358 20.575 0.307 1.00 33.22 H new ATOM 0 HD2 HIS A 92 -1.617 16.783 1.559 1.00 2.24 H new ATOM 0 HE1 HIS A 92 -2.674 20.187 -0.687 1.00 15.20 H new ATOM 1370 N SER A 93 -0.394 17.496 4.661 1.00 71.14 N ATOM 1371 CA SER A 93 -1.495 16.830 5.308 1.00 23.02 C ATOM 1372 C SER A 93 -0.984 15.620 6.110 1.00 42.35 C ATOM 1373 O SER A 93 0.224 15.365 6.188 1.00 52.51 O ATOM 1374 CB SER A 93 -2.512 16.380 4.230 1.00 55.41 C ATOM 1375 OG SER A 93 -3.658 15.763 4.791 1.00 3.40 O ATOM 0 H SER A 93 0.462 16.942 4.619 1.00 71.14 H new ATOM 0 HA SER A 93 -1.984 17.513 6.002 1.00 23.02 H new ATOM 0 HB2 SER A 93 -2.820 17.244 3.642 1.00 55.41 H new ATOM 0 HB3 SER A 93 -2.027 15.684 3.545 1.00 55.41 H new ATOM 0 HG SER A 93 -4.449 16.000 4.263 1.00 3.40 H new ATOM 1381 N GLU A 94 -1.900 14.885 6.662 1.00 44.02 N ATOM 1382 CA GLU A 94 -1.626 13.721 7.443 1.00 72.13 C ATOM 1383 C GLU A 94 -2.368 12.548 6.833 1.00 51.24 C ATOM 1384 O GLU A 94 -3.478 12.709 6.287 1.00 43.11 O ATOM 1385 CB GLU A 94 -2.037 13.959 8.894 1.00 14.12 C ATOM 1386 CG GLU A 94 -3.492 14.365 9.063 1.00 3.31 C ATOM 1387 CD GLU A 94 -3.821 14.748 10.469 1.00 31.43 C ATOM 1388 OE1 GLU A 94 -3.484 15.871 10.878 1.00 2.21 O ATOM 1389 OE2 GLU A 94 -4.421 13.937 11.196 1.00 12.22 O ATOM 0 H GLU A 94 -2.896 15.088 6.577 1.00 44.02 H new ATOM 0 HA GLU A 94 -0.559 13.500 7.442 1.00 72.13 H new ATOM 0 HB2 GLU A 94 -1.855 13.050 9.467 1.00 14.12 H new ATOM 0 HB3 GLU A 94 -1.401 14.736 9.319 1.00 14.12 H new ATOM 0 HG2 GLU A 94 -3.711 15.203 8.401 1.00 3.31 H new ATOM 0 HG3 GLU A 94 -4.134 13.540 8.755 1.00 3.31 H new ATOM 1396 N ILE A 95 -1.769 11.405 6.901 1.00 3.34 N ATOM 1397 CA ILE A 95 -2.297 10.223 6.310 1.00 12.34 C ATOM 1398 C ILE A 95 -2.169 9.011 7.244 1.00 75.40 C ATOM 1399 O ILE A 95 -1.157 8.818 7.918 1.00 22.12 O ATOM 1400 CB ILE A 95 -1.726 10.005 4.831 1.00 34.14 C ATOM 1401 CG1 ILE A 95 -1.970 8.593 4.230 1.00 52.02 C ATOM 1402 CG2 ILE A 95 -0.275 10.424 4.692 1.00 44.14 C ATOM 1403 CD1 ILE A 95 -1.060 7.480 4.747 1.00 51.40 C ATOM 0 H ILE A 95 -0.879 11.265 7.380 1.00 3.34 H new ATOM 0 HA ILE A 95 -3.372 10.349 6.178 1.00 12.34 H new ATOM 0 HB ILE A 95 -2.329 10.681 4.224 1.00 34.14 H new ATOM 0 HG12 ILE A 95 -3.004 8.310 4.426 1.00 52.02 H new ATOM 0 HG13 ILE A 95 -1.856 8.656 3.148 1.00 52.02 H new ATOM 0 HG21 ILE A 95 0.057 10.253 3.668 1.00 44.14 H new ATOM 0 HG22 ILE A 95 -0.177 11.483 4.933 1.00 44.14 H new ATOM 0 HG23 ILE A 95 0.340 9.838 5.375 1.00 44.14 H new ATOM 0 HD11 ILE A 95 -1.321 6.541 4.259 1.00 51.40 H new ATOM 0 HD12 ILE A 95 -0.022 7.727 4.527 1.00 51.40 H new ATOM 0 HD13 ILE A 95 -1.188 7.377 5.825 1.00 51.40 H new ATOM 1415 N ILE A 96 -3.221 8.234 7.299 1.00 34.43 N ATOM 1416 CA ILE A 96 -3.288 7.050 8.139 1.00 73.04 C ATOM 1417 C ILE A 96 -3.209 5.818 7.245 1.00 61.31 C ATOM 1418 O ILE A 96 -3.912 5.749 6.238 1.00 63.23 O ATOM 1419 CB ILE A 96 -4.644 6.997 8.892 1.00 53.42 C ATOM 1420 CG1 ILE A 96 -4.908 8.318 9.629 1.00 31.24 C ATOM 1421 CG2 ILE A 96 -4.661 5.825 9.877 1.00 31.03 C ATOM 1422 CD1 ILE A 96 -6.299 8.418 10.218 1.00 25.25 C ATOM 0 H ILE A 96 -4.069 8.402 6.758 1.00 34.43 H new ATOM 0 HA ILE A 96 -2.468 7.079 8.857 1.00 73.04 H new ATOM 0 HB ILE A 96 -5.437 6.849 8.159 1.00 53.42 H new ATOM 0 HG12 ILE A 96 -4.175 8.431 10.428 1.00 31.24 H new ATOM 0 HG13 ILE A 96 -4.755 9.147 8.937 1.00 31.24 H new ATOM 0 HG21 ILE A 96 -5.618 5.801 10.397 1.00 31.03 H new ATOM 0 HG22 ILE A 96 -4.520 4.891 9.333 1.00 31.03 H new ATOM 0 HG23 ILE A 96 -3.857 5.948 10.602 1.00 31.03 H new ATOM 0 HD11 ILE A 96 -6.412 9.377 10.723 1.00 25.25 H new ATOM 0 HD12 ILE A 96 -7.038 8.338 9.421 1.00 25.25 H new ATOM 0 HD13 ILE A 96 -6.449 7.611 10.935 1.00 25.25 H new ATOM 1434 N VAL A 97 -2.361 4.878 7.589 1.00 63.32 N ATOM 1435 CA VAL A 97 -2.257 3.635 6.844 1.00 23.24 C ATOM 1436 C VAL A 97 -3.059 2.535 7.521 1.00 1.52 C ATOM 1437 O VAL A 97 -2.831 2.221 8.691 1.00 52.21 O ATOM 1438 CB VAL A 97 -0.773 3.196 6.671 1.00 40.32 C ATOM 1439 CG1 VAL A 97 -0.671 1.764 6.164 1.00 40.34 C ATOM 1440 CG2 VAL A 97 -0.094 4.106 5.683 1.00 40.31 C ATOM 0 H VAL A 97 -1.727 4.947 8.385 1.00 63.32 H new ATOM 0 HA VAL A 97 -2.672 3.811 5.851 1.00 23.24 H new ATOM 0 HB VAL A 97 -0.290 3.256 7.646 1.00 40.32 H new ATOM 0 HG11 VAL A 97 0.378 1.491 6.055 1.00 40.34 H new ATOM 0 HG12 VAL A 97 -1.149 1.091 6.876 1.00 40.34 H new ATOM 0 HG13 VAL A 97 -1.169 1.684 5.198 1.00 40.34 H new ATOM 0 HG21 VAL A 97 0.945 3.800 5.561 1.00 40.31 H new ATOM 0 HG22 VAL A 97 -0.605 4.046 4.722 1.00 40.31 H new ATOM 0 HG23 VAL A 97 -0.129 5.132 6.049 1.00 40.31 H new ATOM 1450 N ARG A 98 -4.005 1.980 6.806 1.00 34.21 N ATOM 1451 CA ARG A 98 -4.806 0.889 7.301 1.00 72.21 C ATOM 1452 C ARG A 98 -4.788 -0.266 6.330 1.00 33.21 C ATOM 1453 O ARG A 98 -4.799 -0.067 5.113 1.00 23.15 O ATOM 1454 CB ARG A 98 -6.236 1.341 7.582 1.00 72.20 C ATOM 1455 CG ARG A 98 -6.381 2.215 8.815 1.00 13.12 C ATOM 1456 CD ARG A 98 -5.961 1.468 10.082 1.00 64.31 C ATOM 1457 NE ARG A 98 -6.156 2.279 11.281 1.00 52.12 N ATOM 1458 CZ ARG A 98 -5.920 1.878 12.537 1.00 13.32 C ATOM 1459 NH1 ARG A 98 -5.389 0.682 12.785 1.00 1.21 N ATOM 1460 NH2 ARG A 98 -6.191 2.694 13.545 1.00 41.42 N ATOM 0 H ARG A 98 -4.242 2.274 5.859 1.00 34.21 H new ATOM 0 HA ARG A 98 -4.373 0.551 8.242 1.00 72.21 H new ATOM 0 HB2 ARG A 98 -6.609 1.888 6.716 1.00 72.20 H new ATOM 0 HB3 ARG A 98 -6.867 0.460 7.698 1.00 72.20 H new ATOM 0 HG2 ARG A 98 -5.772 3.112 8.701 1.00 13.12 H new ATOM 0 HG3 ARG A 98 -7.416 2.543 8.911 1.00 13.12 H new ATOM 0 HD2 ARG A 98 -6.538 0.547 10.169 1.00 64.31 H new ATOM 0 HD3 ARG A 98 -4.912 1.181 10.004 1.00 64.31 H new ATOM 0 HE ARG A 98 -6.501 3.230 11.151 1.00 52.12 H new ATOM 0 HH11 ARG A 98 -5.156 0.057 12.013 1.00 1.21 H new ATOM 0 HH12 ARG A 98 -5.215 0.391 13.747 1.00 1.21 H new ATOM 0 HH21 ARG A 98 -6.577 3.620 13.362 1.00 41.42 H new ATOM 0 HH22 ARG A 98 -6.014 2.396 14.504 1.00 41.42 H new ATOM 1474 N MET A 99 -4.734 -1.456 6.860 1.00 54.54 N ATOM 1475 CA MET A 99 -4.687 -2.649 6.065 1.00 43.13 C ATOM 1476 C MET A 99 -5.950 -3.444 6.255 1.00 11.40 C ATOM 1477 O MET A 99 -6.439 -3.601 7.369 1.00 4.23 O ATOM 1478 CB MET A 99 -3.444 -3.486 6.381 1.00 60.31 C ATOM 1479 CG MET A 99 -2.144 -2.796 5.996 1.00 62.03 C ATOM 1480 SD MET A 99 -0.678 -3.783 6.347 1.00 64.50 S ATOM 1481 CE MET A 99 0.607 -2.707 5.712 1.00 33.34 C ATOM 0 H MET A 99 -4.721 -1.626 7.866 1.00 54.54 H new ATOM 0 HA MET A 99 -4.615 -2.361 5.016 1.00 43.13 H new ATOM 0 HB2 MET A 99 -3.427 -3.711 7.447 1.00 60.31 H new ATOM 0 HB3 MET A 99 -3.512 -4.439 5.855 1.00 60.31 H new ATOM 0 HG2 MET A 99 -2.168 -2.560 4.932 1.00 62.03 H new ATOM 0 HG3 MET A 99 -2.072 -1.849 6.531 1.00 62.03 H new ATOM 0 HE1 MET A 99 1.580 -3.178 5.855 1.00 33.34 H new ATOM 0 HE2 MET A 99 0.442 -2.531 4.649 1.00 33.34 H new ATOM 0 HE3 MET A 99 0.582 -1.756 6.245 1.00 33.34 H new ATOM 1491 N HIS A 100 -6.485 -3.887 5.169 1.00 51.04 N ATOM 1492 CA HIS A 100 -7.722 -4.614 5.113 1.00 72.24 C ATOM 1493 C HIS A 100 -7.414 -5.958 4.515 1.00 22.51 C ATOM 1494 O HIS A 100 -7.545 -6.987 5.193 1.00 25.22 O ATOM 1495 CB HIS A 100 -8.737 -3.890 4.201 1.00 42.30 C ATOM 1496 CG HIS A 100 -8.991 -2.439 4.525 1.00 40.03 C ATOM 1497 ND1 HIS A 100 -10.179 -1.948 5.016 1.00 3.11 N ATOM 1498 CD2 HIS A 100 -8.188 -1.360 4.362 1.00 31.12 C ATOM 1499 CE1 HIS A 100 -10.066 -0.622 5.130 1.00 35.02 C ATOM 1500 NE2 HIS A 100 -8.868 -0.214 4.741 1.00 65.21 N ATOM 1501 OXT HIS A 100 -6.944 -5.985 3.372 1.00 38.06 O ATOM 0 H HIS A 100 -6.059 -3.750 4.252 1.00 51.04 H new ATOM 0 HA HIS A 100 -8.152 -4.699 6.111 1.00 72.24 H new ATOM 0 HB2 HIS A 100 -8.384 -3.957 3.172 1.00 42.30 H new ATOM 0 HB3 HIS A 100 -9.686 -4.425 4.248 1.00 42.30 H new ATOM 0 HD1 HIS A 100 -11.003 -2.501 5.252 1.00 3.11 H new ATOM 0 HD2 HIS A 100 -7.173 -1.389 3.993 1.00 31.12 H new ATOM 0 HE1 HIS A 100 -10.847 0.030 5.491 1.00 35.02 H new