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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 ASN : amide:sc= 0.824 K(o=0.82,f=-0.74) USER MOD Set 2.1: A 21 TYR OH : rot -151:sc= 1.23 USER MOD Set 2.2: A 28 ASN : amide:sc= -0.224! C(o=1!,f=-2.1!) USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 7 THR OG1 : rot 33:sc= 0.152 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.55) USER MOD Single : A 17 SER OG : rot -8:sc= 0.812 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 27 SER OG : rot 155:sc= 1.14 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 37 GLN : amide:sc= -0.0668 X(o=-0.067,f=-0.24) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -4.81! C(o=-4.8!,f=-5.9!) USER MOD Single : A 57 GLN : amide:sc= 1.27 K(o=1.3,f=-0.17) USER MOD Single : A 65 ASN : amide:sc= 1.56 K(o=1.6,f=-3.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 71 THR OG1 : rot -150:sc= -1.43 USER MOD Single : A 73 ASN : amide:sc= 2.07 K(o=2.1,f=-6.6!) USER MOD Single : A 74 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.0092) USER MOD Single : A 78 GLN : amide:sc=-0.00494 K(o=-0.0049,f=-0.99) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 92 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.9!) USER MOD Single : A 93 SER OG : rot -1:sc= 0.415 USER MOD Single : A 99 MET CE :methyl 140:sc= -0.151 (180deg=-0.69) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -5.192 -8.892 1.584 1.00 73.40 N ATOM 63 CA THR A 7 -4.546 -7.877 2.362 1.00 15.33 C ATOM 64 C THR A 7 -4.629 -6.588 1.560 1.00 34.34 C ATOM 65 O THR A 7 -4.074 -6.498 0.458 1.00 63.34 O ATOM 66 CB THR A 7 -3.062 -8.241 2.557 1.00 32.43 C ATOM 67 OG1 THR A 7 -2.954 -9.551 3.131 1.00 64.20 O ATOM 68 CG2 THR A 7 -2.352 -7.227 3.448 1.00 40.44 C ATOM 0 HA THR A 7 -5.020 -7.777 3.339 1.00 15.33 H new ATOM 0 HB THR A 7 -2.580 -8.227 1.579 1.00 32.43 H new ATOM 0 HG1 THR A 7 -3.691 -10.111 2.809 1.00 64.20 H new ATOM 0 HG21 THR A 7 -1.307 -7.514 3.565 1.00 40.44 H new ATOM 0 HG22 THR A 7 -2.408 -6.239 2.991 1.00 40.44 H new ATOM 0 HG23 THR A 7 -2.833 -7.202 4.426 1.00 40.44 H new ATOM 76 N SER A 8 -5.328 -5.628 2.067 1.00 23.14 N ATOM 77 CA SER A 8 -5.505 -4.413 1.356 1.00 13.31 C ATOM 78 C SER A 8 -4.981 -3.248 2.181 1.00 10.43 C ATOM 79 O SER A 8 -5.492 -2.953 3.245 1.00 71.23 O ATOM 80 CB SER A 8 -6.990 -4.241 1.081 1.00 31.33 C ATOM 81 OG SER A 8 -7.553 -5.470 0.611 1.00 74.13 O ATOM 0 H SER A 8 -5.787 -5.665 2.977 1.00 23.14 H new ATOM 0 HA SER A 8 -4.952 -4.438 0.417 1.00 13.31 H new ATOM 0 HB2 SER A 8 -7.501 -3.923 1.990 1.00 31.33 H new ATOM 0 HB3 SER A 8 -7.141 -3.457 0.339 1.00 31.33 H new ATOM 0 HG SER A 8 -8.510 -5.347 0.439 1.00 74.13 H new ATOM 87 N VAL A 9 -3.958 -2.612 1.708 1.00 43.43 N ATOM 88 CA VAL A 9 -3.436 -1.452 2.374 1.00 25.12 C ATOM 89 C VAL A 9 -4.046 -0.224 1.712 1.00 55.02 C ATOM 90 O VAL A 9 -4.054 -0.090 0.481 1.00 13.24 O ATOM 91 CB VAL A 9 -1.871 -1.435 2.393 1.00 10.24 C ATOM 92 CG1 VAL A 9 -1.294 -1.619 1.009 1.00 21.41 C ATOM 93 CG2 VAL A 9 -1.331 -0.165 3.047 1.00 12.32 C ATOM 0 H VAL A 9 -3.461 -2.875 0.857 1.00 43.43 H new ATOM 0 HA VAL A 9 -3.716 -1.463 3.427 1.00 25.12 H new ATOM 0 HB VAL A 9 -1.551 -2.282 2.999 1.00 10.24 H new ATOM 0 HG11 VAL A 9 -0.205 -1.602 1.063 1.00 21.41 H new ATOM 0 HG12 VAL A 9 -1.622 -2.576 0.602 1.00 21.41 H new ATOM 0 HG13 VAL A 9 -1.638 -0.813 0.361 1.00 21.41 H new ATOM 0 HG21 VAL A 9 -0.241 -0.188 3.042 1.00 12.32 H new ATOM 0 HG22 VAL A 9 -1.678 0.706 2.491 1.00 12.32 H new ATOM 0 HG23 VAL A 9 -1.688 -0.105 4.075 1.00 12.32 H new ATOM 103 N THR A 10 -4.626 0.598 2.510 1.00 21.21 N ATOM 104 CA THR A 10 -5.371 1.716 2.058 1.00 4.44 C ATOM 105 C THR A 10 -4.928 2.948 2.812 1.00 22.52 C ATOM 106 O THR A 10 -4.692 2.896 4.020 1.00 72.12 O ATOM 107 CB THR A 10 -6.865 1.435 2.315 1.00 72.45 C ATOM 108 OG1 THR A 10 -7.182 0.153 1.747 1.00 33.00 O ATOM 109 CG2 THR A 10 -7.759 2.493 1.685 1.00 50.11 C ATOM 0 H THR A 10 -4.594 0.508 3.526 1.00 21.21 H new ATOM 0 HA THR A 10 -5.209 1.884 0.993 1.00 4.44 H new ATOM 0 HB THR A 10 -7.042 1.451 3.390 1.00 72.45 H new ATOM 0 HG1 THR A 10 -8.129 -0.048 1.900 1.00 33.00 H new ATOM 0 HG21 THR A 10 -8.803 2.256 1.890 1.00 50.11 H new ATOM 0 HG22 THR A 10 -7.519 3.470 2.105 1.00 50.11 H new ATOM 0 HG23 THR A 10 -7.596 2.512 0.607 1.00 50.11 H new ATOM 117 N LEU A 11 -4.764 4.016 2.109 1.00 11.24 N ATOM 118 CA LEU A 11 -4.395 5.236 2.716 1.00 3.24 C ATOM 119 C LEU A 11 -5.613 6.138 2.852 1.00 1.01 C ATOM 120 O LEU A 11 -6.417 6.270 1.922 1.00 45.53 O ATOM 121 CB LEU A 11 -3.170 5.871 2.004 1.00 61.13 C ATOM 122 CG LEU A 11 -3.227 6.090 0.477 1.00 0.44 C ATOM 123 CD1 LEU A 11 -4.047 7.312 0.087 1.00 73.04 C ATOM 124 CD2 LEU A 11 -1.828 6.177 -0.100 1.00 52.11 C ATOM 0 H LEU A 11 -4.883 4.062 1.097 1.00 11.24 H new ATOM 0 HA LEU A 11 -4.047 5.061 3.734 1.00 3.24 H new ATOM 0 HB2 LEU A 11 -2.983 6.839 2.469 1.00 61.13 H new ATOM 0 HB3 LEU A 11 -2.304 5.244 2.215 1.00 61.13 H new ATOM 0 HG LEU A 11 -3.735 5.224 0.052 1.00 0.44 H new ATOM 0 HD11 LEU A 11 -4.052 7.416 -0.998 1.00 73.04 H new ATOM 0 HD12 LEU A 11 -5.070 7.193 0.445 1.00 73.04 H new ATOM 0 HD13 LEU A 11 -3.607 8.203 0.535 1.00 73.04 H new ATOM 0 HD21 LEU A 11 -1.888 6.331 -1.177 1.00 52.11 H new ATOM 0 HD22 LEU A 11 -1.297 7.012 0.357 1.00 52.11 H new ATOM 0 HD23 LEU A 11 -1.292 5.250 0.104 1.00 52.11 H new ATOM 136 N GLN A 12 -5.775 6.664 4.023 1.00 44.12 N ATOM 137 CA GLN A 12 -6.905 7.487 4.392 1.00 34.24 C ATOM 138 C GLN A 12 -6.407 8.926 4.483 1.00 23.25 C ATOM 139 O GLN A 12 -5.560 9.250 5.323 1.00 62.34 O ATOM 140 CB GLN A 12 -7.438 6.979 5.751 1.00 43.25 C ATOM 141 CG GLN A 12 -8.852 7.413 6.170 1.00 21.40 C ATOM 142 CD GLN A 12 -9.035 8.900 6.377 1.00 55.40 C ATOM 143 OE1 GLN A 12 -9.417 9.619 5.471 1.00 4.31 O ATOM 144 NE2 GLN A 12 -8.768 9.366 7.564 1.00 11.32 N ATOM 0 H GLN A 12 -5.107 6.534 4.782 1.00 44.12 H new ATOM 0 HA GLN A 12 -7.716 7.439 3.665 1.00 34.24 H new ATOM 0 HB2 GLN A 12 -7.412 5.889 5.736 1.00 43.25 H new ATOM 0 HB3 GLN A 12 -6.744 7.303 6.526 1.00 43.25 H new ATOM 0 HG2 GLN A 12 -9.558 7.079 5.409 1.00 21.40 H new ATOM 0 HG3 GLN A 12 -9.113 6.899 7.095 1.00 21.40 H new ATOM 0 HE21 GLN A 12 -8.450 8.735 8.300 1.00 11.32 H new ATOM 0 HE22 GLN A 12 -8.877 10.362 7.757 1.00 11.32 H new ATOM 153 N LEU A 13 -6.895 9.753 3.605 1.00 1.42 N ATOM 154 CA LEU A 13 -6.468 11.116 3.481 1.00 21.34 C ATOM 155 C LEU A 13 -7.467 12.039 4.111 1.00 24.31 C ATOM 156 O LEU A 13 -8.632 12.090 3.681 1.00 3.44 O ATOM 157 CB LEU A 13 -6.322 11.465 1.989 1.00 34.22 C ATOM 158 CG LEU A 13 -6.020 12.928 1.658 1.00 43.03 C ATOM 159 CD1 LEU A 13 -4.653 13.355 2.179 1.00 2.32 C ATOM 160 CD2 LEU A 13 -6.143 13.187 0.167 1.00 73.24 C ATOM 0 H LEU A 13 -7.620 9.491 2.938 1.00 1.42 H new ATOM 0 HA LEU A 13 -5.511 11.235 3.990 1.00 21.34 H new ATOM 0 HB2 LEU A 13 -5.526 10.849 1.571 1.00 34.22 H new ATOM 0 HB3 LEU A 13 -7.244 11.183 1.481 1.00 34.22 H new ATOM 0 HG LEU A 13 -6.766 13.537 2.169 1.00 43.03 H new ATOM 0 HD11 LEU A 13 -4.476 14.400 1.924 1.00 2.32 H new ATOM 0 HD12 LEU A 13 -4.623 13.236 3.262 1.00 2.32 H new ATOM 0 HD13 LEU A 13 -3.880 12.735 1.724 1.00 2.32 H new ATOM 0 HD21 LEU A 13 -5.923 14.234 -0.040 1.00 73.24 H new ATOM 0 HD22 LEU A 13 -5.437 12.555 -0.372 1.00 73.24 H new ATOM 0 HD23 LEU A 13 -7.157 12.958 -0.160 1.00 73.24 H new ATOM 172 N ASP A 14 -7.042 12.779 5.107 1.00 14.42 N ATOM 173 CA ASP A 14 -7.925 13.742 5.678 1.00 10.23 C ATOM 174 C ASP A 14 -7.685 15.050 4.994 1.00 33.32 C ATOM 175 O ASP A 14 -6.696 15.755 5.249 1.00 40.02 O ATOM 176 CB ASP A 14 -7.767 13.889 7.183 1.00 63.53 C ATOM 177 CG ASP A 14 -8.785 14.863 7.741 1.00 23.11 C ATOM 178 OD1 ASP A 14 -9.940 14.459 7.974 1.00 12.02 O ATOM 179 OD2 ASP A 14 -8.458 16.041 7.935 1.00 34.43 O ATOM 0 H ASP A 14 -6.112 12.729 5.524 1.00 14.42 H new ATOM 0 HA ASP A 14 -8.948 13.399 5.525 1.00 10.23 H new ATOM 0 HB2 ASP A 14 -7.887 12.917 7.662 1.00 63.53 H new ATOM 0 HB3 ASP A 14 -6.760 14.236 7.415 1.00 63.53 H new ATOM 184 N ASP A 15 -8.543 15.331 4.081 1.00 64.42 N ATOM 185 CA ASP A 15 -8.482 16.531 3.282 1.00 72.00 C ATOM 186 C ASP A 15 -9.541 17.501 3.760 1.00 31.34 C ATOM 187 O ASP A 15 -9.519 18.688 3.424 1.00 15.22 O ATOM 188 CB ASP A 15 -8.787 16.173 1.823 1.00 11.22 C ATOM 189 CG ASP A 15 -10.230 15.717 1.648 1.00 52.42 C ATOM 190 OD1 ASP A 15 -10.696 14.833 2.411 1.00 73.44 O ATOM 191 OD2 ASP A 15 -10.935 16.228 0.774 1.00 72.52 O ATOM 0 H ASP A 15 -9.332 14.727 3.852 1.00 64.42 H new ATOM 0 HA ASP A 15 -7.491 16.978 3.369 1.00 72.00 H new ATOM 0 HB2 ASP A 15 -8.599 17.039 1.188 1.00 11.22 H new ATOM 0 HB3 ASP A 15 -8.112 15.383 1.493 1.00 11.22 H new ATOM 196 N GLY A 16 -10.443 16.987 4.558 1.00 23.13 N ATOM 197 CA GLY A 16 -11.588 17.733 4.980 1.00 34.32 C ATOM 198 C GLY A 16 -12.845 16.926 4.739 1.00 31.24 C ATOM 199 O GLY A 16 -13.931 17.273 5.217 1.00 11.00 O ATOM 0 H GLY A 16 -10.399 16.038 4.930 1.00 23.13 H new ATOM 0 HA2 GLY A 16 -11.502 17.981 6.038 1.00 34.32 H new ATOM 0 HA3 GLY A 16 -11.640 18.675 4.435 1.00 34.32 H new ATOM 203 N SER A 17 -12.711 15.857 3.974 1.00 30.45 N ATOM 204 CA SER A 17 -13.812 14.962 3.746 1.00 74.32 C ATOM 205 C SER A 17 -13.469 13.551 4.233 1.00 42.54 C ATOM 206 O SER A 17 -14.330 12.837 4.769 1.00 73.11 O ATOM 207 CB SER A 17 -14.253 14.984 2.268 1.00 60.22 C ATOM 208 OG SER A 17 -13.194 14.638 1.373 1.00 72.53 O ATOM 0 H SER A 17 -11.845 15.594 3.503 1.00 30.45 H new ATOM 0 HA SER A 17 -14.666 15.307 4.330 1.00 74.32 H new ATOM 0 HB2 SER A 17 -15.082 14.290 2.130 1.00 60.22 H new ATOM 0 HB3 SER A 17 -14.625 15.978 2.018 1.00 60.22 H new ATOM 0 HG SER A 17 -12.351 14.583 1.869 1.00 72.53 H new ATOM 214 N GLY A 18 -12.215 13.161 4.072 1.00 15.21 N ATOM 215 CA GLY A 18 -11.784 11.866 4.533 1.00 1.41 C ATOM 216 C GLY A 18 -11.926 10.854 3.436 1.00 33.24 C ATOM 217 O GLY A 18 -12.987 10.243 3.274 1.00 22.43 O ATOM 0 H GLY A 18 -11.488 13.723 3.628 1.00 15.21 H new ATOM 0 HA2 GLY A 18 -10.746 11.915 4.860 1.00 1.41 H new ATOM 0 HA3 GLY A 18 -12.376 11.563 5.396 1.00 1.41 H new ATOM 221 N ARG A 19 -10.880 10.677 2.684 1.00 11.31 N ATOM 222 CA ARG A 19 -10.921 9.828 1.513 1.00 13.12 C ATOM 223 C ARG A 19 -10.053 8.628 1.707 1.00 74.43 C ATOM 224 O ARG A 19 -9.144 8.648 2.515 1.00 25.02 O ATOM 225 CB ARG A 19 -10.416 10.584 0.316 1.00 40.23 C ATOM 226 CG ARG A 19 -11.104 11.906 0.109 1.00 32.21 C ATOM 227 CD ARG A 19 -10.518 12.657 -1.044 1.00 22.55 C ATOM 228 NE ARG A 19 -11.010 14.026 -1.073 1.00 13.51 N ATOM 229 CZ ARG A 19 -11.308 14.722 -2.154 1.00 24.51 C ATOM 230 NH1 ARG A 19 -11.182 14.182 -3.372 1.00 2.15 N ATOM 231 NH2 ARG A 19 -11.712 15.972 -2.009 1.00 44.11 N ATOM 0 H ARG A 19 -9.974 11.112 2.858 1.00 11.31 H new ATOM 0 HA ARG A 19 -11.953 9.515 1.357 1.00 13.12 H new ATOM 0 HB2 ARG A 19 -9.345 10.754 0.428 1.00 40.23 H new ATOM 0 HB3 ARG A 19 -10.550 9.970 -0.575 1.00 40.23 H new ATOM 0 HG2 ARG A 19 -12.167 11.740 -0.067 1.00 32.21 H new ATOM 0 HG3 ARG A 19 -11.020 12.506 1.015 1.00 32.21 H new ATOM 0 HD2 ARG A 19 -9.431 12.658 -0.968 1.00 22.55 H new ATOM 0 HD3 ARG A 19 -10.772 12.155 -1.978 1.00 22.55 H new ATOM 0 HE ARG A 19 -11.136 14.491 -0.174 1.00 13.51 H new ATOM 0 HH11 ARG A 19 -10.852 13.222 -3.473 1.00 2.15 H new ATOM 0 HH12 ARG A 19 -11.416 14.730 -4.200 1.00 2.15 H new ATOM 0 HH21 ARG A 19 -11.788 16.379 -1.077 1.00 44.11 H new ATOM 0 HH22 ARG A 19 -11.948 16.530 -2.829 1.00 44.11 H new ATOM 245 N THR A 20 -10.301 7.608 0.951 1.00 42.30 N ATOM 246 CA THR A 20 -9.544 6.406 1.049 1.00 0.11 C ATOM 247 C THR A 20 -9.075 5.972 -0.331 1.00 74.35 C ATOM 248 O THR A 20 -9.815 6.077 -1.314 1.00 41.34 O ATOM 249 CB THR A 20 -10.370 5.286 1.731 1.00 3.25 C ATOM 250 OG1 THR A 20 -11.622 5.100 1.041 1.00 4.31 O ATOM 251 CG2 THR A 20 -10.651 5.639 3.177 1.00 63.42 C ATOM 0 H THR A 20 -11.038 7.587 0.246 1.00 42.30 H new ATOM 0 HA THR A 20 -8.668 6.596 1.670 1.00 0.11 H new ATOM 0 HB THR A 20 -9.789 4.364 1.691 1.00 3.25 H new ATOM 0 HG1 THR A 20 -12.135 4.389 1.479 1.00 4.31 H new ATOM 0 HG21 THR A 20 -11.232 4.841 3.640 1.00 63.42 H new ATOM 0 HG22 THR A 20 -9.709 5.759 3.712 1.00 63.42 H new ATOM 0 HG23 THR A 20 -11.215 6.571 3.221 1.00 63.42 H new ATOM 259 N TYR A 21 -7.847 5.572 -0.414 1.00 72.15 N ATOM 260 CA TYR A 21 -7.274 5.083 -1.643 1.00 24.10 C ATOM 261 C TYR A 21 -6.471 3.834 -1.367 1.00 72.40 C ATOM 262 O TYR A 21 -5.552 3.842 -0.541 1.00 74.02 O ATOM 263 CB TYR A 21 -6.416 6.171 -2.304 1.00 22.11 C ATOM 264 CG TYR A 21 -5.541 5.694 -3.446 1.00 43.11 C ATOM 265 CD1 TYR A 21 -6.077 5.369 -4.680 1.00 21.41 C ATOM 266 CD2 TYR A 21 -4.167 5.569 -3.276 1.00 74.11 C ATOM 267 CE1 TYR A 21 -5.267 4.935 -5.709 1.00 12.32 C ATOM 268 CE2 TYR A 21 -3.355 5.140 -4.295 1.00 23.51 C ATOM 269 CZ TYR A 21 -3.904 4.824 -5.507 1.00 50.34 C ATOM 270 OH TYR A 21 -3.086 4.399 -6.531 1.00 63.33 O ATOM 0 H TYR A 21 -7.200 5.573 0.374 1.00 72.15 H new ATOM 0 HA TYR A 21 -8.073 4.828 -2.340 1.00 24.10 H new ATOM 0 HB2 TYR A 21 -7.075 6.956 -2.675 1.00 22.11 H new ATOM 0 HB3 TYR A 21 -5.779 6.622 -1.543 1.00 22.11 H new ATOM 0 HD1 TYR A 21 -7.142 5.456 -4.839 1.00 21.41 H new ATOM 0 HD2 TYR A 21 -3.729 5.815 -2.320 1.00 74.11 H new ATOM 0 HE1 TYR A 21 -5.696 4.683 -6.668 1.00 12.32 H new ATOM 0 HE2 TYR A 21 -2.290 5.052 -4.141 1.00 23.51 H new ATOM 0 HH TYR A 21 -2.303 3.944 -6.157 1.00 63.33 H new ATOM 280 N GLN A 22 -6.839 2.766 -2.015 1.00 52.10 N ATOM 281 CA GLN A 22 -6.174 1.509 -1.850 1.00 15.54 C ATOM 282 C GLN A 22 -4.981 1.436 -2.777 1.00 21.40 C ATOM 283 O GLN A 22 -5.065 1.817 -3.950 1.00 50.21 O ATOM 284 CB GLN A 22 -7.135 0.361 -2.128 1.00 4.30 C ATOM 285 CG GLN A 22 -6.561 -1.019 -1.855 1.00 44.10 C ATOM 286 CD GLN A 22 -7.551 -2.109 -2.157 1.00 23.43 C ATOM 287 OE1 GLN A 22 -8.760 -1.905 -2.051 1.00 33.32 O ATOM 288 NE2 GLN A 22 -7.067 -3.264 -2.520 1.00 33.24 N ATOM 0 H GLN A 22 -7.615 2.745 -2.677 1.00 52.10 H new ATOM 0 HA GLN A 22 -5.827 1.423 -0.820 1.00 15.54 H new ATOM 0 HB2 GLN A 22 -8.029 0.496 -1.519 1.00 4.30 H new ATOM 0 HB3 GLN A 22 -7.449 0.411 -3.171 1.00 4.30 H new ATOM 0 HG2 GLN A 22 -5.665 -1.165 -2.458 1.00 44.10 H new ATOM 0 HG3 GLN A 22 -6.256 -1.085 -0.811 1.00 44.10 H new ATOM 0 HE21 GLN A 22 -6.058 -3.393 -2.596 1.00 33.24 H new ATOM 0 HE22 GLN A 22 -7.697 -4.039 -2.728 1.00 33.24 H new ATOM 297 N LEU A 23 -3.887 0.970 -2.247 1.00 4.41 N ATOM 298 CA LEU A 23 -2.672 0.822 -2.992 1.00 11.34 C ATOM 299 C LEU A 23 -2.748 -0.387 -3.874 1.00 31.31 C ATOM 300 O LEU A 23 -3.191 -1.464 -3.441 1.00 51.00 O ATOM 301 CB LEU A 23 -1.499 0.656 -2.045 1.00 61.21 C ATOM 302 CG LEU A 23 -1.138 1.858 -1.177 1.00 51.24 C ATOM 303 CD1 LEU A 23 0.015 1.509 -0.271 1.00 5.25 C ATOM 304 CD2 LEU A 23 -0.783 3.061 -2.036 1.00 4.41 C ATOM 0 H LEU A 23 -3.814 0.679 -1.272 1.00 4.41 H new ATOM 0 HA LEU A 23 -2.534 1.715 -3.602 1.00 11.34 H new ATOM 0 HB2 LEU A 23 -1.711 -0.187 -1.387 1.00 61.21 H new ATOM 0 HB3 LEU A 23 -0.622 0.387 -2.634 1.00 61.21 H new ATOM 0 HG LEU A 23 -2.006 2.118 -0.570 1.00 51.24 H new ATOM 0 HD11 LEU A 23 0.267 2.372 0.346 1.00 5.25 H new ATOM 0 HD12 LEU A 23 -0.266 0.674 0.371 1.00 5.25 H new ATOM 0 HD13 LEU A 23 0.879 1.229 -0.873 1.00 5.25 H new ATOM 0 HD21 LEU A 23 -0.530 3.905 -1.394 1.00 4.41 H new ATOM 0 HD22 LEU A 23 0.071 2.817 -2.669 1.00 4.41 H new ATOM 0 HD23 LEU A 23 -1.635 3.325 -2.662 1.00 4.41 H new ATOM 316 N ARG A 24 -2.355 -0.229 -5.093 1.00 34.41 N ATOM 317 CA ARG A 24 -2.296 -1.344 -5.969 1.00 15.10 C ATOM 318 C ARG A 24 -0.865 -1.771 -6.111 1.00 52.25 C ATOM 319 O ARG A 24 0.044 -0.988 -5.830 1.00 42.05 O ATOM 320 CB ARG A 24 -2.928 -1.068 -7.333 1.00 50.55 C ATOM 321 CG ARG A 24 -4.409 -0.682 -7.295 1.00 14.12 C ATOM 322 CD ARG A 24 -5.246 -1.608 -6.398 1.00 42.25 C ATOM 323 NE ARG A 24 -5.051 -3.043 -6.674 1.00 52.10 N ATOM 324 CZ ARG A 24 -5.967 -3.998 -6.468 1.00 32.31 C ATOM 325 NH1 ARG A 24 -7.207 -3.680 -6.114 1.00 71.15 N ATOM 326 NH2 ARG A 24 -5.628 -5.262 -6.628 1.00 72.11 N ATOM 0 H ARG A 24 -2.071 0.661 -5.503 1.00 34.41 H new ATOM 0 HA ARG A 24 -2.886 -2.150 -5.532 1.00 15.10 H new ATOM 0 HB2 ARG A 24 -2.372 -0.266 -7.819 1.00 50.55 H new ATOM 0 HB3 ARG A 24 -2.816 -1.956 -7.955 1.00 50.55 H new ATOM 0 HG2 ARG A 24 -4.503 0.344 -6.938 1.00 14.12 H new ATOM 0 HG3 ARG A 24 -4.811 -0.705 -8.308 1.00 14.12 H new ATOM 0 HD2 ARG A 24 -4.996 -1.411 -5.356 1.00 42.25 H new ATOM 0 HD3 ARG A 24 -6.301 -1.364 -6.524 1.00 42.25 H new ATOM 0 HE ARG A 24 -4.148 -3.331 -7.051 1.00 52.10 H new ATOM 0 HH11 ARG A 24 -7.469 -2.701 -5.997 1.00 71.15 H new ATOM 0 HH12 ARG A 24 -7.898 -4.415 -5.959 1.00 71.15 H new ATOM 0 HH21 ARG A 24 -4.677 -5.504 -6.906 1.00 72.11 H new ATOM 0 HH22 ARG A 24 -6.317 -5.998 -6.474 1.00 72.11 H new ATOM 340 N GLU A 25 -0.694 -3.001 -6.506 1.00 73.22 N ATOM 341 CA GLU A 25 0.592 -3.665 -6.672 1.00 30.43 C ATOM 342 C GLU A 25 1.571 -2.799 -7.477 1.00 34.41 C ATOM 343 O GLU A 25 1.246 -2.325 -8.575 1.00 60.33 O ATOM 344 CB GLU A 25 0.413 -5.027 -7.379 1.00 31.01 C ATOM 345 CG GLU A 25 -0.728 -5.919 -6.850 1.00 61.45 C ATOM 346 CD GLU A 25 -2.101 -5.442 -7.281 1.00 34.22 C ATOM 347 OE1 GLU A 25 -2.498 -5.726 -8.413 1.00 23.40 O ATOM 348 OE2 GLU A 25 -2.776 -4.730 -6.513 1.00 30.13 O ATOM 0 H GLU A 25 -1.481 -3.608 -6.736 1.00 73.22 H new ATOM 0 HA GLU A 25 1.006 -3.824 -5.676 1.00 30.43 H new ATOM 0 HB2 GLU A 25 0.242 -4.843 -8.440 1.00 31.01 H new ATOM 0 HB3 GLU A 25 1.348 -5.581 -7.298 1.00 31.01 H new ATOM 0 HG2 GLU A 25 -0.577 -6.940 -7.202 1.00 61.45 H new ATOM 0 HG3 GLU A 25 -0.685 -5.948 -5.761 1.00 61.45 H new ATOM 355 N GLY A 26 2.734 -2.593 -6.923 1.00 64.42 N ATOM 356 CA GLY A 26 3.731 -1.769 -7.544 1.00 1.13 C ATOM 357 C GLY A 26 3.957 -0.551 -6.705 1.00 34.45 C ATOM 358 O GLY A 26 3.407 -0.448 -5.597 1.00 3.02 O ATOM 0 H GLY A 26 3.016 -2.992 -6.028 1.00 64.42 H new ATOM 0 HA2 GLY A 26 4.661 -2.326 -7.656 1.00 1.13 H new ATOM 0 HA3 GLY A 26 3.410 -1.481 -8.545 1.00 1.13 H new ATOM 362 N SER A 27 4.752 0.365 -7.158 1.00 72.10 N ATOM 363 CA SER A 27 4.946 1.535 -6.377 1.00 1.13 C ATOM 364 C SER A 27 4.028 2.643 -6.831 1.00 73.13 C ATOM 365 O SER A 27 3.992 3.014 -8.013 1.00 32.11 O ATOM 366 CB SER A 27 6.418 1.957 -6.301 1.00 53.24 C ATOM 367 OG SER A 27 6.975 2.254 -7.578 1.00 31.11 O ATOM 0 H SER A 27 5.263 0.326 -8.040 1.00 72.10 H new ATOM 0 HA SER A 27 4.670 1.297 -5.350 1.00 1.13 H new ATOM 0 HB2 SER A 27 6.507 2.833 -5.658 1.00 53.24 H new ATOM 0 HB3 SER A 27 6.996 1.159 -5.834 1.00 53.24 H new ATOM 0 HG SER A 27 7.728 2.872 -7.471 1.00 31.11 H new ATOM 373 N ASN A 28 3.247 3.132 -5.906 1.00 63.34 N ATOM 374 CA ASN A 28 2.320 4.187 -6.198 1.00 74.43 C ATOM 375 C ASN A 28 3.037 5.467 -5.888 1.00 72.02 C ATOM 376 O ASN A 28 3.343 5.754 -4.729 1.00 14.13 O ATOM 377 CB ASN A 28 0.999 4.061 -5.378 1.00 14.23 C ATOM 378 CG ASN A 28 0.160 2.783 -5.665 1.00 1.42 C ATOM 379 OD1 ASN A 28 -1.079 2.805 -5.595 1.00 54.14 O ATOM 380 ND2 ASN A 28 0.809 1.677 -5.951 1.00 3.14 N ATOM 0 H ASN A 28 3.236 2.813 -4.937 1.00 63.34 H new ATOM 0 HA ASN A 28 2.010 4.145 -7.242 1.00 74.43 H new ATOM 0 HB2 ASN A 28 1.246 4.083 -4.317 1.00 14.23 H new ATOM 0 HB3 ASN A 28 0.380 4.935 -5.580 1.00 14.23 H new ATOM 0 HD21 ASN A 28 0.294 0.813 -6.121 1.00 3.14 H new ATOM 0 HD22 ASN A 28 1.828 1.682 -6.003 1.00 3.14 H new ATOM 387 N ILE A 29 3.359 6.194 -6.917 1.00 51.24 N ATOM 388 CA ILE A 29 4.174 7.379 -6.792 1.00 31.03 C ATOM 389 C ILE A 29 3.309 8.609 -6.562 1.00 60.40 C ATOM 390 O ILE A 29 2.338 8.850 -7.299 1.00 2.04 O ATOM 391 CB ILE A 29 5.047 7.577 -8.062 1.00 35.14 C ATOM 392 CG1 ILE A 29 5.819 6.278 -8.373 1.00 0.24 C ATOM 393 CG2 ILE A 29 6.026 8.742 -7.862 1.00 43.31 C ATOM 394 CD1 ILE A 29 6.594 6.304 -9.672 1.00 4.41 C ATOM 0 H ILE A 29 3.066 5.986 -7.872 1.00 51.24 H new ATOM 0 HA ILE A 29 4.828 7.247 -5.930 1.00 31.03 H new ATOM 0 HB ILE A 29 4.397 7.814 -8.904 1.00 35.14 H new ATOM 0 HG12 ILE A 29 6.512 6.077 -7.556 1.00 0.24 H new ATOM 0 HG13 ILE A 29 5.112 5.449 -8.403 1.00 0.24 H new ATOM 0 HG21 ILE A 29 6.630 8.868 -8.760 1.00 43.31 H new ATOM 0 HG22 ILE A 29 5.467 9.658 -7.669 1.00 43.31 H new ATOM 0 HG23 ILE A 29 6.677 8.529 -7.014 1.00 43.31 H new ATOM 0 HD11 ILE A 29 7.105 5.351 -9.810 1.00 4.41 H new ATOM 0 HD12 ILE A 29 5.907 6.471 -10.502 1.00 4.41 H new ATOM 0 HD13 ILE A 29 7.328 7.109 -9.642 1.00 4.41 H new ATOM 406 N ILE A 30 3.656 9.362 -5.549 1.00 53.40 N ATOM 407 CA ILE A 30 2.976 10.580 -5.201 1.00 54.34 C ATOM 408 C ILE A 30 3.875 11.761 -5.569 1.00 22.53 C ATOM 409 O ILE A 30 5.088 11.730 -5.305 1.00 52.41 O ATOM 410 CB ILE A 30 2.643 10.622 -3.676 1.00 72.53 C ATOM 411 CG1 ILE A 30 1.768 9.415 -3.279 1.00 34.11 C ATOM 412 CG2 ILE A 30 1.979 11.941 -3.297 1.00 21.24 C ATOM 413 CD1 ILE A 30 1.437 9.338 -1.799 1.00 44.42 C ATOM 0 H ILE A 30 4.436 9.139 -4.931 1.00 53.40 H new ATOM 0 HA ILE A 30 2.035 10.633 -5.749 1.00 54.34 H new ATOM 0 HB ILE A 30 3.577 10.556 -3.119 1.00 72.53 H new ATOM 0 HG12 ILE A 30 0.837 9.455 -3.845 1.00 34.11 H new ATOM 0 HG13 ILE A 30 2.280 8.499 -3.572 1.00 34.11 H new ATOM 0 HG21 ILE A 30 1.758 11.944 -2.230 1.00 21.24 H new ATOM 0 HG22 ILE A 30 2.651 12.767 -3.530 1.00 21.24 H new ATOM 0 HG23 ILE A 30 1.053 12.057 -3.860 1.00 21.24 H new ATOM 0 HD11 ILE A 30 0.819 8.460 -1.610 1.00 44.42 H new ATOM 0 HD12 ILE A 30 2.360 9.264 -1.223 1.00 44.42 H new ATOM 0 HD13 ILE A 30 0.894 10.235 -1.500 1.00 44.42 H new ATOM 425 N GLY A 31 3.299 12.749 -6.209 1.00 43.21 N ATOM 426 CA GLY A 31 4.009 13.942 -6.611 1.00 62.30 C ATOM 427 C GLY A 31 3.316 14.554 -7.785 1.00 31.31 C ATOM 428 O GLY A 31 2.329 14.006 -8.243 1.00 74.13 O ATOM 0 H GLY A 31 2.313 12.749 -6.469 1.00 43.21 H new ATOM 0 HA2 GLY A 31 4.047 14.652 -5.785 1.00 62.30 H new ATOM 0 HA3 GLY A 31 5.039 13.697 -6.869 1.00 62.30 H new ATOM 432 N ARG A 32 3.775 15.678 -8.275 1.00 75.53 N ATOM 433 CA ARG A 32 3.119 16.261 -9.424 1.00 22.43 C ATOM 434 C ARG A 32 4.034 16.208 -10.616 1.00 12.14 C ATOM 435 O ARG A 32 4.987 16.984 -10.722 1.00 61.53 O ATOM 436 CB ARG A 32 2.728 17.713 -9.157 1.00 74.43 C ATOM 437 CG ARG A 32 1.814 17.911 -7.974 1.00 42.23 C ATOM 438 CD ARG A 32 1.368 19.366 -7.846 1.00 41.25 C ATOM 439 NE ARG A 32 0.659 19.860 -9.042 1.00 73.24 N ATOM 440 CZ ARG A 32 -0.668 20.128 -9.103 1.00 54.53 C ATOM 441 NH1 ARG A 32 -1.482 19.749 -8.119 1.00 13.41 N ATOM 442 NH2 ARG A 32 -1.170 20.747 -10.169 1.00 53.35 N ATOM 0 H ARG A 32 4.575 16.197 -7.912 1.00 75.53 H new ATOM 0 HA ARG A 32 2.214 15.686 -9.622 1.00 22.43 H new ATOM 0 HB2 ARG A 32 3.635 18.297 -9.000 1.00 74.43 H new ATOM 0 HB3 ARG A 32 2.241 18.114 -10.046 1.00 74.43 H new ATOM 0 HG2 ARG A 32 0.939 17.269 -8.078 1.00 42.23 H new ATOM 0 HG3 ARG A 32 2.327 17.605 -7.062 1.00 42.23 H new ATOM 0 HD2 ARG A 32 0.717 19.465 -6.978 1.00 41.25 H new ATOM 0 HD3 ARG A 32 2.241 19.993 -7.663 1.00 41.25 H new ATOM 0 HE ARG A 32 1.210 20.011 -9.887 1.00 73.24 H new ATOM 0 HH11 ARG A 32 -1.108 19.252 -7.310 1.00 13.41 H new ATOM 0 HH12 ARG A 32 -2.479 19.955 -8.174 1.00 13.41 H new ATOM 0 HH21 ARG A 32 -0.556 21.018 -10.937 1.00 53.35 H new ATOM 0 HH22 ARG A 32 -2.168 20.950 -10.218 1.00 53.35 H new ATOM 456 N GLY A 33 3.747 15.313 -11.502 1.00 12.15 N ATOM 457 CA GLY A 33 4.509 15.167 -12.687 1.00 74.23 C ATOM 458 C GLY A 33 4.015 14.001 -13.471 1.00 32.02 C ATOM 459 O GLY A 33 3.108 13.294 -13.020 1.00 44.52 O ATOM 0 H GLY A 33 2.969 14.659 -11.419 1.00 12.15 H new ATOM 0 HA2 GLY A 33 4.440 16.074 -13.287 1.00 74.23 H new ATOM 0 HA3 GLY A 33 5.561 15.028 -12.438 1.00 74.23 H new ATOM 463 N GLN A 34 4.631 13.765 -14.603 1.00 72.54 N ATOM 464 CA GLN A 34 4.297 12.643 -15.472 1.00 25.30 C ATOM 465 C GLN A 34 4.790 11.350 -14.824 1.00 32.04 C ATOM 466 O GLN A 34 4.253 10.263 -15.042 1.00 73.32 O ATOM 467 CB GLN A 34 4.987 12.823 -16.822 1.00 23.54 C ATOM 468 CG GLN A 34 4.685 14.139 -17.520 1.00 21.55 C ATOM 469 CD GLN A 34 5.463 14.298 -18.808 1.00 73.13 C ATOM 470 OE1 GLN A 34 5.783 13.322 -19.488 1.00 11.31 O ATOM 471 NE2 GLN A 34 5.782 15.511 -19.152 1.00 63.54 N ATOM 0 H GLN A 34 5.388 14.348 -14.959 1.00 72.54 H new ATOM 0 HA GLN A 34 3.218 12.599 -15.618 1.00 25.30 H new ATOM 0 HB2 GLN A 34 6.064 12.743 -16.677 1.00 23.54 H new ATOM 0 HB3 GLN A 34 4.692 12.004 -17.478 1.00 23.54 H new ATOM 0 HG2 GLN A 34 3.618 14.198 -17.733 1.00 21.55 H new ATOM 0 HG3 GLN A 34 4.922 14.966 -16.850 1.00 21.55 H new ATOM 0 HE21 GLN A 34 5.501 16.298 -18.566 1.00 63.54 H new ATOM 0 HE22 GLN A 34 6.313 15.676 -20.007 1.00 63.54 H new ATOM 480 N ASP A 35 5.799 11.502 -13.994 1.00 55.15 N ATOM 481 CA ASP A 35 6.441 10.398 -13.275 1.00 14.34 C ATOM 482 C ASP A 35 5.676 10.035 -12.012 1.00 55.13 C ATOM 483 O ASP A 35 6.157 9.243 -11.200 1.00 71.13 O ATOM 484 CB ASP A 35 7.872 10.778 -12.867 1.00 22.42 C ATOM 485 CG ASP A 35 8.820 10.966 -14.016 1.00 70.24 C ATOM 486 OD1 ASP A 35 8.750 11.998 -14.682 1.00 33.04 O ATOM 487 OD2 ASP A 35 9.662 10.074 -14.263 1.00 22.21 O ATOM 0 H ASP A 35 6.212 12.412 -13.789 1.00 55.15 H new ATOM 0 HA ASP A 35 6.451 9.545 -13.953 1.00 14.34 H new ATOM 0 HB2 ASP A 35 7.838 11.700 -12.287 1.00 22.42 H new ATOM 0 HB3 ASP A 35 8.267 10.003 -12.210 1.00 22.42 H new ATOM 492 N ALA A 36 4.510 10.603 -11.833 1.00 63.10 N ATOM 493 CA ALA A 36 3.733 10.349 -10.651 1.00 41.23 C ATOM 494 C ALA A 36 2.315 9.925 -10.983 1.00 10.44 C ATOM 495 O ALA A 36 1.783 10.254 -12.052 1.00 23.24 O ATOM 496 CB ALA A 36 3.723 11.564 -9.759 1.00 23.32 C ATOM 0 H ALA A 36 4.078 11.247 -12.496 1.00 63.10 H new ATOM 0 HA ALA A 36 4.205 9.521 -10.122 1.00 41.23 H new ATOM 0 HB1 ALA A 36 3.131 11.356 -8.868 1.00 23.32 H new ATOM 0 HB2 ALA A 36 4.744 11.809 -9.467 1.00 23.32 H new ATOM 0 HB3 ALA A 36 3.287 12.406 -10.296 1.00 23.32 H new ATOM 502 N GLN A 37 1.718 9.207 -10.057 1.00 32.50 N ATOM 503 CA GLN A 37 0.365 8.714 -10.171 1.00 44.32 C ATOM 504 C GLN A 37 -0.579 9.609 -9.396 1.00 15.25 C ATOM 505 O GLN A 37 -1.550 10.128 -9.934 1.00 71.42 O ATOM 506 CB GLN A 37 0.284 7.283 -9.623 1.00 14.21 C ATOM 507 CG GLN A 37 0.856 6.222 -10.542 1.00 40.12 C ATOM 508 CD GLN A 37 -0.012 6.017 -11.767 1.00 25.13 C ATOM 509 OE1 GLN A 37 0.165 6.666 -12.797 1.00 51.34 O ATOM 510 NE2 GLN A 37 -0.965 5.135 -11.654 1.00 32.54 N ATOM 0 H GLN A 37 2.172 8.944 -9.183 1.00 32.50 H new ATOM 0 HA GLN A 37 0.076 8.714 -11.222 1.00 44.32 H new ATOM 0 HB2 GLN A 37 0.812 7.242 -8.670 1.00 14.21 H new ATOM 0 HB3 GLN A 37 -0.760 7.044 -9.420 1.00 14.21 H new ATOM 0 HG2 GLN A 37 1.860 6.511 -10.851 1.00 40.12 H new ATOM 0 HG3 GLN A 37 0.948 5.281 -9.999 1.00 40.12 H new ATOM 0 HE21 GLN A 37 -1.080 4.617 -10.783 1.00 32.54 H new ATOM 0 HE22 GLN A 37 -1.596 4.963 -12.437 1.00 32.54 H new ATOM 519 N PHE A 38 -0.285 9.800 -8.142 1.00 71.43 N ATOM 520 CA PHE A 38 -1.119 10.599 -7.295 1.00 12.31 C ATOM 521 C PHE A 38 -0.496 11.964 -7.129 1.00 3.22 C ATOM 522 O PHE A 38 0.543 12.112 -6.481 1.00 62.13 O ATOM 523 CB PHE A 38 -1.326 9.896 -5.947 1.00 32.43 C ATOM 524 CG PHE A 38 -2.134 10.670 -4.940 1.00 54.53 C ATOM 525 CD1 PHE A 38 -3.494 10.873 -5.113 1.00 5.41 C ATOM 526 CD2 PHE A 38 -1.529 11.176 -3.810 1.00 43.43 C ATOM 527 CE1 PHE A 38 -4.226 11.571 -4.168 1.00 42.42 C ATOM 528 CE2 PHE A 38 -2.240 11.868 -2.872 1.00 1.44 C ATOM 529 CZ PHE A 38 -3.596 12.072 -3.043 1.00 50.32 C ATOM 0 H PHE A 38 0.536 9.408 -7.681 1.00 71.43 H new ATOM 0 HA PHE A 38 -2.102 10.727 -7.749 1.00 12.31 H new ATOM 0 HB2 PHE A 38 -1.817 8.939 -6.125 1.00 32.43 H new ATOM 0 HB3 PHE A 38 -0.349 9.677 -5.515 1.00 32.43 H new ATOM 0 HD1 PHE A 38 -3.986 10.484 -5.992 1.00 5.41 H new ATOM 0 HD2 PHE A 38 -0.470 11.022 -3.663 1.00 43.43 H new ATOM 0 HE1 PHE A 38 -5.286 11.724 -4.309 1.00 42.42 H new ATOM 0 HE2 PHE A 38 -1.742 12.256 -1.996 1.00 1.44 H new ATOM 0 HZ PHE A 38 -4.161 12.619 -2.303 1.00 50.32 H new ATOM 539 N ARG A 39 -1.104 12.950 -7.731 1.00 4.41 N ATOM 540 CA ARG A 39 -0.586 14.281 -7.669 1.00 12.33 C ATOM 541 C ARG A 39 -1.248 15.091 -6.577 1.00 34.11 C ATOM 542 O ARG A 39 -2.470 15.284 -6.577 1.00 33.34 O ATOM 543 CB ARG A 39 -0.618 14.983 -9.046 1.00 51.42 C ATOM 544 CG ARG A 39 -1.959 15.025 -9.754 1.00 75.04 C ATOM 545 CD ARG A 39 -1.815 15.706 -11.107 1.00 32.52 C ATOM 546 NE ARG A 39 -3.072 15.755 -11.856 1.00 2.14 N ATOM 547 CZ ARG A 39 -3.171 16.060 -13.156 1.00 54.10 C ATOM 548 NH1 ARG A 39 -2.077 16.371 -13.858 1.00 12.51 N ATOM 549 NH2 ARG A 39 -4.362 16.071 -13.751 1.00 30.15 N ATOM 0 H ARG A 39 -1.963 12.851 -8.272 1.00 4.41 H new ATOM 0 HA ARG A 39 0.467 14.206 -7.397 1.00 12.33 H new ATOM 0 HB2 ARG A 39 -0.269 16.007 -8.915 1.00 51.42 H new ATOM 0 HB3 ARG A 39 0.097 14.484 -9.700 1.00 51.42 H new ATOM 0 HG2 ARG A 39 -2.341 14.013 -9.887 1.00 75.04 H new ATOM 0 HG3 ARG A 39 -2.685 15.562 -9.143 1.00 75.04 H new ATOM 0 HD2 ARG A 39 -1.446 16.721 -10.960 1.00 32.52 H new ATOM 0 HD3 ARG A 39 -1.067 15.177 -11.697 1.00 32.52 H new ATOM 0 HE ARG A 39 -3.933 15.542 -11.352 1.00 2.14 H new ATOM 0 HH11 ARG A 39 -1.164 16.376 -13.404 1.00 12.51 H new ATOM 0 HH12 ARG A 39 -2.155 16.603 -14.848 1.00 12.51 H new ATOM 0 HH21 ARG A 39 -5.201 15.847 -13.216 1.00 30.15 H new ATOM 0 HH22 ARG A 39 -4.435 16.304 -14.741 1.00 30.15 H new ATOM 563 N LEU A 40 -0.438 15.520 -5.621 1.00 41.40 N ATOM 564 CA LEU A 40 -0.907 16.317 -4.505 1.00 71.34 C ATOM 565 C LEU A 40 -1.399 17.673 -4.988 1.00 51.01 C ATOM 566 O LEU A 40 -0.789 18.284 -5.864 1.00 63.53 O ATOM 567 CB LEU A 40 0.201 16.528 -3.463 1.00 42.45 C ATOM 568 CG LEU A 40 0.706 15.303 -2.711 1.00 43.14 C ATOM 569 CD1 LEU A 40 1.799 15.715 -1.748 1.00 5.24 C ATOM 570 CD2 LEU A 40 -0.422 14.641 -1.945 1.00 62.14 C ATOM 0 H LEU A 40 0.563 15.324 -5.600 1.00 41.40 H new ATOM 0 HA LEU A 40 -1.728 15.772 -4.040 1.00 71.34 H new ATOM 0 HB2 LEU A 40 1.052 16.988 -3.966 1.00 42.45 H new ATOM 0 HB3 LEU A 40 -0.161 17.247 -2.728 1.00 42.45 H new ATOM 0 HG LEU A 40 1.101 14.589 -3.434 1.00 43.14 H new ATOM 0 HD11 LEU A 40 2.160 14.838 -1.210 1.00 5.24 H new ATOM 0 HD12 LEU A 40 2.622 16.165 -2.303 1.00 5.24 H new ATOM 0 HD13 LEU A 40 1.403 16.439 -1.036 1.00 5.24 H new ATOM 0 HD21 LEU A 40 -0.039 13.769 -1.415 1.00 62.14 H new ATOM 0 HD22 LEU A 40 -0.838 15.348 -1.227 1.00 62.14 H new ATOM 0 HD23 LEU A 40 -1.201 14.330 -2.641 1.00 62.14 H new ATOM 582 N PRO A 41 -2.489 18.173 -4.429 1.00 53.14 N ATOM 583 CA PRO A 41 -3.044 19.455 -4.811 1.00 30.21 C ATOM 584 C PRO A 41 -2.519 20.600 -3.936 1.00 43.25 C ATOM 585 O PRO A 41 -3.099 21.682 -3.902 1.00 20.21 O ATOM 586 CB PRO A 41 -4.535 19.244 -4.584 1.00 2.34 C ATOM 587 CG PRO A 41 -4.628 18.261 -3.451 1.00 75.33 C ATOM 588 CD PRO A 41 -3.311 17.523 -3.384 1.00 21.12 C ATOM 0 HA PRO A 41 -2.781 19.742 -5.829 1.00 30.21 H new ATOM 0 HB2 PRO A 41 -5.031 20.181 -4.333 1.00 2.34 H new ATOM 0 HB3 PRO A 41 -5.019 18.857 -5.481 1.00 2.34 H new ATOM 0 HG2 PRO A 41 -4.828 18.776 -2.511 1.00 75.33 H new ATOM 0 HG3 PRO A 41 -5.450 17.564 -3.614 1.00 75.33 H new ATOM 0 HD2 PRO A 41 -2.851 17.613 -2.400 1.00 21.12 H new ATOM 0 HD3 PRO A 41 -3.439 16.458 -3.580 1.00 21.12 H new ATOM 596 N ASP A 42 -1.421 20.361 -3.249 1.00 65.34 N ATOM 597 CA ASP A 42 -0.845 21.371 -2.374 1.00 71.32 C ATOM 598 C ASP A 42 0.420 21.925 -3.038 1.00 45.31 C ATOM 599 O ASP A 42 0.731 21.563 -4.177 1.00 0.11 O ATOM 600 CB ASP A 42 -0.513 20.780 -0.996 1.00 13.33 C ATOM 601 CG ASP A 42 -0.579 21.816 0.122 1.00 32.43 C ATOM 602 OD1 ASP A 42 0.253 22.750 0.154 1.00 34.41 O ATOM 603 OD2 ASP A 42 -1.476 21.706 0.993 1.00 3.34 O ATOM 0 H ASP A 42 -0.908 19.480 -3.277 1.00 65.34 H new ATOM 0 HA ASP A 42 -1.567 22.173 -2.220 1.00 71.32 H new ATOM 0 HB2 ASP A 42 -1.208 19.970 -0.776 1.00 13.33 H new ATOM 0 HB3 ASP A 42 0.486 20.345 -1.023 1.00 13.33 H new ATOM 608 N THR A 43 1.145 22.749 -2.343 1.00 50.31 N ATOM 609 CA THR A 43 2.298 23.415 -2.870 1.00 32.20 C ATOM 610 C THR A 43 3.564 22.879 -2.178 1.00 41.22 C ATOM 611 O THR A 43 3.508 22.484 -1.030 1.00 60.32 O ATOM 612 CB THR A 43 2.150 24.927 -2.604 1.00 14.24 C ATOM 613 OG1 THR A 43 0.838 25.344 -3.034 1.00 25.11 O ATOM 614 CG2 THR A 43 3.194 25.725 -3.363 1.00 43.23 C ATOM 0 H THR A 43 0.946 22.982 -1.370 1.00 50.31 H new ATOM 0 HA THR A 43 2.383 23.234 -3.942 1.00 32.20 H new ATOM 0 HB THR A 43 2.288 25.109 -1.538 1.00 14.24 H new ATOM 0 HG1 THR A 43 0.729 26.304 -2.869 1.00 25.11 H new ATOM 0 HG21 THR A 43 3.063 26.787 -3.154 1.00 43.23 H new ATOM 0 HG22 THR A 43 4.190 25.414 -3.048 1.00 43.23 H new ATOM 0 HG23 THR A 43 3.080 25.549 -4.433 1.00 43.23 H new ATOM 622 N GLY A 44 4.675 22.821 -2.895 1.00 73.52 N ATOM 623 CA GLY A 44 5.917 22.365 -2.304 1.00 5.21 C ATOM 624 C GLY A 44 6.279 20.989 -2.784 1.00 54.34 C ATOM 625 O GLY A 44 7.458 20.623 -2.845 1.00 34.44 O ATOM 0 H GLY A 44 4.740 23.082 -3.879 1.00 73.52 H new ATOM 0 HA2 GLY A 44 6.718 23.061 -2.553 1.00 5.21 H new ATOM 0 HA3 GLY A 44 5.825 22.361 -1.218 1.00 5.21 H new ATOM 629 N VAL A 45 5.265 20.241 -3.139 1.00 12.34 N ATOM 630 CA VAL A 45 5.407 18.888 -3.638 1.00 13.42 C ATOM 631 C VAL A 45 6.211 18.850 -4.957 1.00 52.13 C ATOM 632 O VAL A 45 5.983 19.658 -5.877 1.00 22.22 O ATOM 633 CB VAL A 45 4.009 18.203 -3.799 1.00 45.33 C ATOM 634 CG1 VAL A 45 3.074 19.041 -4.657 1.00 65.34 C ATOM 635 CG2 VAL A 45 4.134 16.795 -4.362 1.00 32.05 C ATOM 0 H VAL A 45 4.297 20.558 -3.090 1.00 12.34 H new ATOM 0 HA VAL A 45 5.974 18.320 -2.901 1.00 13.42 H new ATOM 0 HB VAL A 45 3.576 18.127 -2.801 1.00 45.33 H new ATOM 0 HG11 VAL A 45 2.113 18.536 -4.748 1.00 65.34 H new ATOM 0 HG12 VAL A 45 2.929 20.016 -4.192 1.00 65.34 H new ATOM 0 HG13 VAL A 45 3.509 19.173 -5.647 1.00 65.34 H new ATOM 0 HG21 VAL A 45 3.143 16.353 -4.459 1.00 32.05 H new ATOM 0 HG22 VAL A 45 4.611 16.836 -5.341 1.00 32.05 H new ATOM 0 HG23 VAL A 45 4.738 16.187 -3.689 1.00 32.05 H new ATOM 645 N SER A 46 7.157 17.940 -5.007 1.00 44.14 N ATOM 646 CA SER A 46 8.034 17.735 -6.138 1.00 71.14 C ATOM 647 C SER A 46 7.296 16.898 -7.225 1.00 41.32 C ATOM 648 O SER A 46 6.083 16.664 -7.102 1.00 13.40 O ATOM 649 CB SER A 46 9.241 16.986 -5.599 1.00 1.14 C ATOM 650 OG SER A 46 9.661 17.571 -4.368 1.00 70.41 O ATOM 0 H SER A 46 7.344 17.300 -4.235 1.00 44.14 H new ATOM 0 HA SER A 46 8.336 18.674 -6.602 1.00 71.14 H new ATOM 0 HB2 SER A 46 8.991 15.936 -5.447 1.00 1.14 H new ATOM 0 HB3 SER A 46 10.054 17.018 -6.324 1.00 1.14 H new ATOM 0 HG SER A 46 10.438 17.084 -4.023 1.00 70.41 H new ATOM 656 N ARG A 47 7.994 16.450 -8.282 1.00 43.55 N ATOM 657 CA ARG A 47 7.318 15.630 -9.296 1.00 35.34 C ATOM 658 C ARG A 47 7.167 14.224 -8.788 1.00 44.14 C ATOM 659 O ARG A 47 6.199 13.540 -9.072 1.00 23.31 O ATOM 660 CB ARG A 47 7.999 15.635 -10.673 1.00 1.02 C ATOM 661 CG ARG A 47 9.395 15.056 -10.733 1.00 35.12 C ATOM 662 CD ARG A 47 9.839 14.865 -12.167 1.00 52.43 C ATOM 663 NE ARG A 47 11.117 14.161 -12.254 1.00 35.44 N ATOM 664 CZ ARG A 47 11.711 13.786 -13.393 1.00 63.44 C ATOM 665 NH1 ARG A 47 11.143 14.051 -14.575 1.00 44.12 N ATOM 666 NH2 ARG A 47 12.863 13.136 -13.345 1.00 10.14 N ATOM 0 H ARG A 47 8.983 16.632 -8.452 1.00 43.55 H new ATOM 0 HA ARG A 47 6.341 16.085 -9.457 1.00 35.34 H new ATOM 0 HB2 ARG A 47 7.369 15.081 -11.368 1.00 1.02 H new ATOM 0 HB3 ARG A 47 8.040 16.664 -11.031 1.00 1.02 H new ATOM 0 HG2 ARG A 47 10.090 15.719 -10.218 1.00 35.12 H new ATOM 0 HG3 ARG A 47 9.419 14.100 -10.210 1.00 35.12 H new ATOM 0 HD2 ARG A 47 9.078 14.305 -12.711 1.00 52.43 H new ATOM 0 HD3 ARG A 47 9.927 15.837 -12.652 1.00 52.43 H new ATOM 0 HE ARG A 47 11.593 13.938 -11.379 1.00 35.44 H new ATOM 0 HH11 ARG A 47 10.250 14.543 -14.613 1.00 44.12 H new ATOM 0 HH12 ARG A 47 11.603 13.761 -15.438 1.00 44.12 H new ATOM 0 HH21 ARG A 47 13.292 12.924 -12.444 1.00 10.14 H new ATOM 0 HH22 ARG A 47 13.322 12.847 -14.209 1.00 10.14 H new ATOM 680 N ARG A 48 8.140 13.810 -8.051 1.00 64.03 N ATOM 681 CA ARG A 48 8.121 12.579 -7.355 1.00 45.43 C ATOM 682 C ARG A 48 8.494 12.960 -5.957 1.00 0.44 C ATOM 683 O ARG A 48 9.553 13.521 -5.743 1.00 12.11 O ATOM 684 CB ARG A 48 9.127 11.567 -7.947 1.00 40.30 C ATOM 685 CG ARG A 48 8.926 11.259 -9.434 1.00 54.25 C ATOM 686 CD ARG A 48 9.932 10.231 -9.960 1.00 60.34 C ATOM 687 NE ARG A 48 9.570 8.843 -9.604 1.00 10.35 N ATOM 688 CZ ARG A 48 10.451 7.821 -9.452 1.00 54.54 C ATOM 689 NH1 ARG A 48 11.762 8.058 -9.464 1.00 4.13 N ATOM 690 NH2 ARG A 48 10.011 6.578 -9.232 1.00 43.11 N ATOM 0 H ARG A 48 8.999 14.342 -7.915 1.00 64.03 H new ATOM 0 HA ARG A 48 7.153 12.081 -7.417 1.00 45.43 H new ATOM 0 HB2 ARG A 48 10.136 11.952 -7.803 1.00 40.30 H new ATOM 0 HB3 ARG A 48 9.058 10.636 -7.385 1.00 40.30 H new ATOM 0 HG2 ARG A 48 7.914 10.886 -9.591 1.00 54.25 H new ATOM 0 HG3 ARG A 48 9.019 12.181 -10.009 1.00 54.25 H new ATOM 0 HD2 ARG A 48 10.000 10.317 -11.044 1.00 60.34 H new ATOM 0 HD3 ARG A 48 10.920 10.458 -9.560 1.00 60.34 H new ATOM 0 HE ARG A 48 8.581 8.637 -9.461 1.00 10.35 H new ATOM 0 HH11 ARG A 48 12.107 9.010 -9.588 1.00 4.13 H new ATOM 0 HH12 ARG A 48 12.421 7.288 -9.349 1.00 4.13 H new ATOM 0 HH21 ARG A 48 9.009 6.394 -9.178 1.00 43.11 H new ATOM 0 HH22 ARG A 48 10.677 5.814 -9.119 1.00 43.11 H new ATOM 704 N HIS A 49 7.592 12.781 -5.056 1.00 54.22 N ATOM 705 CA HIS A 49 7.773 13.191 -3.682 1.00 34.42 C ATOM 706 C HIS A 49 8.070 11.973 -2.836 1.00 60.02 C ATOM 707 O HIS A 49 8.943 11.990 -1.963 1.00 3.45 O ATOM 708 CB HIS A 49 6.478 13.896 -3.200 1.00 73.12 C ATOM 709 CG HIS A 49 6.500 14.440 -1.793 1.00 4.22 C ATOM 710 ND1 HIS A 49 6.227 15.755 -1.542 1.00 2.54 N ATOM 711 CD2 HIS A 49 6.707 13.798 -0.617 1.00 40.11 C ATOM 712 CE1 HIS A 49 6.270 15.883 -0.232 1.00 54.50 C ATOM 713 NE2 HIS A 49 6.566 14.718 0.372 1.00 50.05 N ATOM 0 H HIS A 49 6.691 12.341 -5.242 1.00 54.22 H new ATOM 0 HA HIS A 49 8.609 13.885 -3.594 1.00 34.42 H new ATOM 0 HB2 HIS A 49 6.261 14.718 -3.882 1.00 73.12 H new ATOM 0 HB3 HIS A 49 5.652 13.189 -3.281 1.00 73.12 H new ATOM 0 HD2 HIS A 49 6.940 12.751 -0.490 1.00 40.11 H new ATOM 0 HE1 HIS A 49 6.090 16.809 0.293 1.00 54.50 H new ATOM 0 HE2 HIS A 49 6.665 14.557 1.374 1.00 50.05 H new ATOM 721 N LEU A 50 7.348 10.928 -3.100 1.00 1.43 N ATOM 722 CA LEU A 50 7.455 9.710 -2.361 1.00 71.24 C ATOM 723 C LEU A 50 6.743 8.630 -3.121 1.00 72.41 C ATOM 724 O LEU A 50 5.822 8.921 -3.890 1.00 43.12 O ATOM 725 CB LEU A 50 6.871 9.925 -0.928 1.00 63.05 C ATOM 726 CG LEU A 50 6.650 8.700 -0.033 1.00 2.14 C ATOM 727 CD1 LEU A 50 6.756 9.114 1.415 1.00 72.20 C ATOM 728 CD2 LEU A 50 5.258 8.123 -0.265 1.00 51.23 C ATOM 0 H LEU A 50 6.656 10.898 -3.849 1.00 1.43 H new ATOM 0 HA LEU A 50 8.495 9.406 -2.241 1.00 71.24 H new ATOM 0 HB2 LEU A 50 7.537 10.606 -0.398 1.00 63.05 H new ATOM 0 HB3 LEU A 50 5.913 10.434 -1.034 1.00 63.05 H new ATOM 0 HG LEU A 50 7.404 7.950 -0.274 1.00 2.14 H new ATOM 0 HD11 LEU A 50 6.599 8.245 2.054 1.00 72.20 H new ATOM 0 HD12 LEU A 50 7.746 9.529 1.603 1.00 72.20 H new ATOM 0 HD13 LEU A 50 5.999 9.867 1.634 1.00 72.20 H new ATOM 0 HD21 LEU A 50 5.113 7.254 0.376 1.00 51.23 H new ATOM 0 HD22 LEU A 50 4.507 8.877 -0.029 1.00 51.23 H new ATOM 0 HD23 LEU A 50 5.157 7.825 -1.309 1.00 51.23 H new ATOM 740 N GLU A 51 7.179 7.418 -2.964 1.00 23.13 N ATOM 741 CA GLU A 51 6.519 6.320 -3.587 1.00 24.22 C ATOM 742 C GLU A 51 6.322 5.225 -2.575 1.00 23.30 C ATOM 743 O GLU A 51 7.212 4.938 -1.755 1.00 35.51 O ATOM 744 CB GLU A 51 7.269 5.813 -4.839 1.00 23.31 C ATOM 745 CG GLU A 51 8.677 5.292 -4.589 1.00 33.03 C ATOM 746 CD GLU A 51 9.370 4.842 -5.863 1.00 44.41 C ATOM 747 OE1 GLU A 51 8.877 3.899 -6.531 1.00 61.23 O ATOM 748 OE2 GLU A 51 10.414 5.433 -6.222 1.00 72.13 O ATOM 0 H GLU A 51 7.995 7.167 -2.405 1.00 23.13 H new ATOM 0 HA GLU A 51 5.547 6.659 -3.944 1.00 24.22 H new ATOM 0 HB2 GLU A 51 6.681 5.017 -5.297 1.00 23.31 H new ATOM 0 HB3 GLU A 51 7.324 6.626 -5.563 1.00 23.31 H new ATOM 0 HG2 GLU A 51 9.270 6.073 -4.114 1.00 33.03 H new ATOM 0 HG3 GLU A 51 8.632 4.457 -3.890 1.00 33.03 H new ATOM 755 N ILE A 52 5.156 4.674 -2.561 1.00 33.15 N ATOM 756 CA ILE A 52 4.885 3.580 -1.693 1.00 72.11 C ATOM 757 C ILE A 52 4.919 2.341 -2.527 1.00 33.43 C ATOM 758 O ILE A 52 4.077 2.165 -3.423 1.00 4.00 O ATOM 759 CB ILE A 52 3.507 3.684 -1.003 1.00 11.14 C ATOM 760 CG1 ILE A 52 3.363 5.032 -0.282 1.00 75.20 C ATOM 761 CG2 ILE A 52 3.367 2.537 -0.006 1.00 2.21 C ATOM 762 CD1 ILE A 52 2.005 5.257 0.358 1.00 23.13 C ATOM 0 H ILE A 52 4.372 4.965 -3.144 1.00 33.15 H new ATOM 0 HA ILE A 52 5.632 3.572 -0.899 1.00 72.11 H new ATOM 0 HB ILE A 52 2.721 3.618 -1.755 1.00 11.14 H new ATOM 0 HG12 ILE A 52 4.131 5.102 0.489 1.00 75.20 H new ATOM 0 HG13 ILE A 52 3.553 5.834 -0.995 1.00 75.20 H new ATOM 0 HG21 ILE A 52 2.397 2.600 0.488 1.00 2.21 H new ATOM 0 HG22 ILE A 52 3.445 1.586 -0.532 1.00 2.21 H new ATOM 0 HG23 ILE A 52 4.159 2.605 0.740 1.00 2.21 H new ATOM 0 HD11 ILE A 52 1.989 6.232 0.845 1.00 23.13 H new ATOM 0 HD12 ILE A 52 1.231 5.222 -0.409 1.00 23.13 H new ATOM 0 HD13 ILE A 52 1.818 4.479 1.098 1.00 23.13 H new ATOM 774 N ARG A 53 5.881 1.509 -2.289 1.00 63.04 N ATOM 775 CA ARG A 53 5.996 0.325 -3.048 1.00 61.22 C ATOM 776 C ARG A 53 5.258 -0.783 -2.371 1.00 64.05 C ATOM 777 O ARG A 53 5.676 -1.295 -1.329 1.00 20.11 O ATOM 778 CB ARG A 53 7.451 -0.060 -3.324 1.00 32.41 C ATOM 779 CG ARG A 53 7.558 -1.266 -4.236 1.00 33.22 C ATOM 780 CD ARG A 53 8.978 -1.556 -4.647 1.00 50.22 C ATOM 781 NE ARG A 53 9.007 -2.639 -5.633 1.00 73.13 N ATOM 782 CZ ARG A 53 9.255 -2.474 -6.940 1.00 40.31 C ATOM 783 NH1 ARG A 53 9.614 -1.284 -7.408 1.00 73.41 N ATOM 784 NH2 ARG A 53 9.143 -3.505 -7.771 1.00 14.21 N ATOM 0 H ARG A 53 6.595 1.636 -1.572 1.00 63.04 H new ATOM 0 HA ARG A 53 5.545 0.511 -4.023 1.00 61.22 H new ATOM 0 HB2 ARG A 53 7.969 0.785 -3.778 1.00 32.41 H new ATOM 0 HB3 ARG A 53 7.954 -0.273 -2.381 1.00 32.41 H new ATOM 0 HG2 ARG A 53 7.145 -2.138 -3.729 1.00 33.22 H new ATOM 0 HG3 ARG A 53 6.953 -1.098 -5.127 1.00 33.22 H new ATOM 0 HD2 ARG A 53 9.433 -0.659 -5.067 1.00 50.22 H new ATOM 0 HD3 ARG A 53 9.568 -1.834 -3.773 1.00 50.22 H new ATOM 0 HE ARG A 53 8.826 -3.586 -5.301 1.00 73.13 H new ATOM 0 HH11 ARG A 53 9.702 -0.491 -6.772 1.00 73.41 H new ATOM 0 HH12 ARG A 53 9.802 -1.163 -8.403 1.00 73.41 H new ATOM 0 HH21 ARG A 53 8.869 -4.420 -7.414 1.00 14.21 H new ATOM 0 HH22 ARG A 53 9.331 -3.381 -8.766 1.00 14.21 H new ATOM 798 N TRP A 54 4.162 -1.132 -2.942 1.00 71.40 N ATOM 799 CA TRP A 54 3.381 -2.184 -2.440 1.00 31.54 C ATOM 800 C TRP A 54 3.714 -3.446 -3.192 1.00 32.42 C ATOM 801 O TRP A 54 3.475 -3.563 -4.405 1.00 64.12 O ATOM 802 CB TRP A 54 1.885 -1.843 -2.499 1.00 51.32 C ATOM 803 CG TRP A 54 0.989 -3.018 -2.206 1.00 44.13 C ATOM 804 CD1 TRP A 54 0.061 -3.547 -3.035 1.00 20.30 C ATOM 805 CD2 TRP A 54 0.973 -3.831 -1.019 1.00 4.34 C ATOM 806 NE1 TRP A 54 -0.534 -4.633 -2.449 1.00 62.11 N ATOM 807 CE2 TRP A 54 0.003 -4.826 -1.211 1.00 71.42 C ATOM 808 CE3 TRP A 54 1.678 -3.810 0.180 1.00 13.31 C ATOM 809 CZ2 TRP A 54 -0.275 -5.796 -0.249 1.00 34.04 C ATOM 810 CZ3 TRP A 54 1.406 -4.766 1.134 1.00 23.21 C ATOM 811 CH2 TRP A 54 0.436 -5.749 0.916 1.00 74.12 C ATOM 0 H TRP A 54 3.785 -0.686 -3.778 1.00 71.40 H new ATOM 0 HA TRP A 54 3.612 -2.342 -1.387 1.00 31.54 H new ATOM 0 HB2 TRP A 54 1.673 -1.048 -1.784 1.00 51.32 H new ATOM 0 HB3 TRP A 54 1.648 -1.453 -3.489 1.00 51.32 H new ATOM 0 HD1 TRP A 54 -0.177 -3.168 -4.018 1.00 20.30 H new ATOM 0 HE1 TRP A 54 -1.264 -5.207 -2.872 1.00 62.11 H new ATOM 0 HE3 TRP A 54 2.428 -3.055 0.361 1.00 13.31 H new ATOM 0 HZ2 TRP A 54 -1.024 -6.555 -0.419 1.00 34.04 H new ATOM 0 HZ3 TRP A 54 1.951 -4.756 2.066 1.00 23.21 H new ATOM 0 HH2 TRP A 54 0.245 -6.485 1.683 1.00 74.12 H new ATOM 822 N ASP A 55 4.305 -4.352 -2.495 1.00 50.14 N ATOM 823 CA ASP A 55 4.681 -5.617 -3.046 1.00 55.22 C ATOM 824 C ASP A 55 3.934 -6.663 -2.248 1.00 50.13 C ATOM 825 O ASP A 55 3.410 -6.338 -1.181 1.00 2.44 O ATOM 826 CB ASP A 55 6.200 -5.800 -2.917 1.00 4.33 C ATOM 827 CG ASP A 55 6.719 -6.968 -3.707 1.00 42.22 C ATOM 828 OD1 ASP A 55 6.993 -6.799 -4.916 1.00 4.53 O ATOM 829 OD2 ASP A 55 6.864 -8.058 -3.154 1.00 10.22 O ATOM 0 H ASP A 55 4.547 -4.238 -1.511 1.00 50.14 H new ATOM 0 HA ASP A 55 4.434 -5.696 -4.105 1.00 55.22 H new ATOM 0 HB2 ASP A 55 6.700 -4.891 -3.252 1.00 4.33 H new ATOM 0 HB3 ASP A 55 6.456 -5.936 -1.866 1.00 4.33 H new ATOM 834 N GLY A 56 3.898 -7.900 -2.700 1.00 34.33 N ATOM 835 CA GLY A 56 3.126 -8.928 -1.998 1.00 15.44 C ATOM 836 C GLY A 56 3.865 -9.488 -0.779 1.00 3.50 C ATOM 837 O GLY A 56 3.862 -10.696 -0.520 1.00 52.10 O ATOM 0 H GLY A 56 4.383 -8.224 -3.537 1.00 34.33 H new ATOM 0 HA2 GLY A 56 2.173 -8.507 -1.679 1.00 15.44 H new ATOM 0 HA3 GLY A 56 2.900 -9.742 -2.687 1.00 15.44 H new ATOM 841 N GLN A 57 4.479 -8.601 -0.038 1.00 11.51 N ATOM 842 CA GLN A 57 5.266 -8.926 1.120 1.00 53.32 C ATOM 843 C GLN A 57 4.934 -7.941 2.220 1.00 65.41 C ATOM 844 O GLN A 57 4.328 -8.298 3.231 1.00 14.15 O ATOM 845 CB GLN A 57 6.764 -8.851 0.789 1.00 71.02 C ATOM 846 CG GLN A 57 7.243 -9.874 -0.229 1.00 34.42 C ATOM 847 CD GLN A 57 8.686 -9.660 -0.618 1.00 13.41 C ATOM 848 OE1 GLN A 57 9.595 -10.186 0.008 1.00 63.52 O ATOM 849 NE2 GLN A 57 8.908 -8.922 -1.669 1.00 60.34 N ATOM 0 H GLN A 57 4.442 -7.600 -0.232 1.00 11.51 H new ATOM 0 HA GLN A 57 5.037 -9.942 1.443 1.00 53.32 H new ATOM 0 HB2 GLN A 57 6.990 -7.853 0.414 1.00 71.02 H new ATOM 0 HB3 GLN A 57 7.332 -8.982 1.710 1.00 71.02 H new ATOM 0 HG2 GLN A 57 7.124 -10.876 0.182 1.00 34.42 H new ATOM 0 HG3 GLN A 57 6.617 -9.819 -1.119 1.00 34.42 H new ATOM 0 HE21 GLN A 57 8.126 -8.498 -2.169 1.00 60.34 H new ATOM 0 HE22 GLN A 57 9.863 -8.769 -1.992 1.00 60.34 H new ATOM 858 N VAL A 58 5.303 -6.694 1.989 1.00 51.02 N ATOM 859 CA VAL A 58 5.088 -5.584 2.903 1.00 33.13 C ATOM 860 C VAL A 58 4.935 -4.316 2.085 1.00 35.35 C ATOM 861 O VAL A 58 5.332 -4.281 0.905 1.00 54.45 O ATOM 862 CB VAL A 58 6.268 -5.373 3.930 1.00 40.12 C ATOM 863 CG1 VAL A 58 6.342 -6.492 4.958 1.00 31.34 C ATOM 864 CG2 VAL A 58 7.612 -5.227 3.211 1.00 73.44 C ATOM 0 H VAL A 58 5.777 -6.415 1.130 1.00 51.02 H new ATOM 0 HA VAL A 58 4.195 -5.816 3.484 1.00 33.13 H new ATOM 0 HB VAL A 58 6.054 -4.446 4.462 1.00 40.12 H new ATOM 0 HG11 VAL A 58 7.169 -6.303 5.643 1.00 31.34 H new ATOM 0 HG12 VAL A 58 5.408 -6.533 5.519 1.00 31.34 H new ATOM 0 HG13 VAL A 58 6.502 -7.443 4.450 1.00 31.34 H new ATOM 0 HG21 VAL A 58 8.404 -5.083 3.946 1.00 73.44 H new ATOM 0 HG22 VAL A 58 7.814 -6.128 2.631 1.00 73.44 H new ATOM 0 HG23 VAL A 58 7.576 -4.366 2.543 1.00 73.44 H new ATOM 874 N ALA A 59 4.344 -3.311 2.670 1.00 12.12 N ATOM 875 CA ALA A 59 4.207 -2.032 2.028 1.00 64.41 C ATOM 876 C ALA A 59 5.409 -1.174 2.370 1.00 75.55 C ATOM 877 O ALA A 59 5.581 -0.714 3.520 1.00 35.12 O ATOM 878 CB ALA A 59 2.912 -1.355 2.434 1.00 32.15 C ATOM 0 H ALA A 59 3.943 -3.355 3.607 1.00 12.12 H new ATOM 0 HA ALA A 59 4.168 -2.173 0.948 1.00 64.41 H new ATOM 0 HB1 ALA A 59 2.834 -0.390 1.934 1.00 32.15 H new ATOM 0 HB2 ALA A 59 2.068 -1.982 2.146 1.00 32.15 H new ATOM 0 HB3 ALA A 59 2.902 -1.206 3.514 1.00 32.15 H new ATOM 884 N LEU A 60 6.245 -0.996 1.395 1.00 21.50 N ATOM 885 CA LEU A 60 7.484 -0.291 1.547 1.00 12.33 C ATOM 886 C LEU A 60 7.264 1.203 1.298 1.00 4.02 C ATOM 887 O LEU A 60 6.912 1.619 0.202 1.00 11.14 O ATOM 888 CB LEU A 60 8.514 -0.915 0.569 1.00 43.25 C ATOM 889 CG LEU A 60 9.993 -0.472 0.631 1.00 72.20 C ATOM 890 CD1 LEU A 60 10.826 -1.441 -0.174 1.00 34.21 C ATOM 891 CD2 LEU A 60 10.194 0.926 0.066 1.00 53.25 C ATOM 0 H LEU A 60 6.083 -1.344 0.450 1.00 21.50 H new ATOM 0 HA LEU A 60 7.872 -0.384 2.561 1.00 12.33 H new ATOM 0 HB2 LEU A 60 8.491 -1.995 0.717 1.00 43.25 H new ATOM 0 HB3 LEU A 60 8.159 -0.724 -0.444 1.00 43.25 H new ATOM 0 HG LEU A 60 10.296 -0.462 1.678 1.00 72.20 H new ATOM 0 HD11 LEU A 60 11.873 -1.139 -0.138 1.00 34.21 H new ATOM 0 HD12 LEU A 60 10.723 -2.443 0.243 1.00 34.21 H new ATOM 0 HD13 LEU A 60 10.484 -1.442 -1.209 1.00 34.21 H new ATOM 0 HD21 LEU A 60 11.248 1.196 0.130 1.00 53.25 H new ATOM 0 HD22 LEU A 60 9.877 0.946 -0.977 1.00 53.25 H new ATOM 0 HD23 LEU A 60 9.601 1.639 0.639 1.00 53.25 H new ATOM 903 N LEU A 61 7.463 1.984 2.317 1.00 54.14 N ATOM 904 CA LEU A 61 7.329 3.422 2.239 1.00 72.43 C ATOM 905 C LEU A 61 8.727 3.998 2.034 1.00 41.31 C ATOM 906 O LEU A 61 9.650 3.673 2.801 1.00 12.14 O ATOM 907 CB LEU A 61 6.661 3.915 3.567 1.00 50.14 C ATOM 908 CG LEU A 61 6.323 5.419 3.786 1.00 51.21 C ATOM 909 CD1 LEU A 61 7.555 6.315 3.897 1.00 15.51 C ATOM 910 CD2 LEU A 61 5.381 5.915 2.713 1.00 61.12 C ATOM 0 H LEU A 61 7.727 1.644 3.242 1.00 54.14 H new ATOM 0 HA LEU A 61 6.700 3.748 1.410 1.00 72.43 H new ATOM 0 HB2 LEU A 61 5.730 3.359 3.681 1.00 50.14 H new ATOM 0 HB3 LEU A 61 7.316 3.613 4.385 1.00 50.14 H new ATOM 0 HG LEU A 61 5.825 5.483 4.753 1.00 51.21 H new ATOM 0 HD11 LEU A 61 7.241 7.348 4.048 1.00 15.51 H new ATOM 0 HD12 LEU A 61 8.164 5.993 4.742 1.00 15.51 H new ATOM 0 HD13 LEU A 61 8.140 6.244 2.980 1.00 15.51 H new ATOM 0 HD21 LEU A 61 5.157 6.968 2.884 1.00 61.12 H new ATOM 0 HD22 LEU A 61 5.849 5.797 1.735 1.00 61.12 H new ATOM 0 HD23 LEU A 61 4.457 5.338 2.745 1.00 61.12 H new ATOM 922 N ALA A 62 8.904 4.787 0.984 1.00 54.43 N ATOM 923 CA ALA A 62 10.185 5.408 0.708 1.00 10.24 C ATOM 924 C ALA A 62 10.014 6.837 0.207 1.00 62.23 C ATOM 925 O ALA A 62 9.280 7.085 -0.769 1.00 52.12 O ATOM 926 CB ALA A 62 10.968 4.588 -0.308 1.00 32.03 C ATOM 0 H ALA A 62 8.172 5.011 0.309 1.00 54.43 H new ATOM 0 HA ALA A 62 10.744 5.442 1.643 1.00 10.24 H new ATOM 0 HB1 ALA A 62 11.926 5.069 -0.503 1.00 32.03 H new ATOM 0 HB2 ALA A 62 11.138 3.586 0.087 1.00 32.03 H new ATOM 0 HB3 ALA A 62 10.401 4.521 -1.236 1.00 32.03 H new ATOM 932 N ASP A 63 10.674 7.761 0.874 1.00 64.13 N ATOM 933 CA ASP A 63 10.686 9.161 0.471 1.00 1.02 C ATOM 934 C ASP A 63 11.541 9.335 -0.737 1.00 54.41 C ATOM 935 O ASP A 63 12.618 8.726 -0.859 1.00 52.54 O ATOM 936 CB ASP A 63 11.204 10.093 1.574 1.00 43.14 C ATOM 937 CG ASP A 63 10.186 10.548 2.513 1.00 30.11 C ATOM 938 OD1 ASP A 63 9.901 9.838 3.478 1.00 15.20 O ATOM 939 OD2 ASP A 63 9.681 11.690 2.311 1.00 13.20 O ATOM 0 H ASP A 63 11.220 7.567 1.713 1.00 64.13 H new ATOM 0 HA ASP A 63 9.652 9.432 0.259 1.00 1.02 H new ATOM 0 HB2 ASP A 63 11.987 9.577 2.130 1.00 43.14 H new ATOM 0 HB3 ASP A 63 11.665 10.964 1.108 1.00 43.14 H new ATOM 944 N LEU A 64 11.089 10.142 -1.627 1.00 24.40 N ATOM 945 CA LEU A 64 11.803 10.395 -2.820 1.00 12.51 C ATOM 946 C LEU A 64 11.877 11.893 -2.997 1.00 53.55 C ATOM 947 O LEU A 64 11.139 12.480 -3.765 1.00 44.23 O ATOM 948 CB LEU A 64 11.065 9.702 -3.969 1.00 4.33 C ATOM 949 CG LEU A 64 11.682 9.761 -5.351 1.00 21.43 C ATOM 950 CD1 LEU A 64 13.111 9.260 -5.318 1.00 52.13 C ATOM 951 CD2 LEU A 64 10.868 8.898 -6.272 1.00 52.51 C ATOM 0 H LEU A 64 10.207 10.648 -1.545 1.00 24.40 H new ATOM 0 HA LEU A 64 12.820 10.004 -2.795 1.00 12.51 H new ATOM 0 HB2 LEU A 64 10.944 8.652 -3.702 1.00 4.33 H new ATOM 0 HB3 LEU A 64 10.066 10.133 -4.031 1.00 4.33 H new ATOM 0 HG LEU A 64 11.688 10.793 -5.702 1.00 21.43 H new ATOM 0 HD11 LEU A 64 13.537 9.310 -6.320 1.00 52.13 H new ATOM 0 HD12 LEU A 64 13.699 9.881 -4.642 1.00 52.13 H new ATOM 0 HD13 LEU A 64 13.127 8.228 -4.968 1.00 52.13 H new ATOM 0 HD21 LEU A 64 11.298 8.928 -7.273 1.00 52.51 H new ATOM 0 HD22 LEU A 64 10.871 7.871 -5.906 1.00 52.51 H new ATOM 0 HD23 LEU A 64 9.843 9.268 -6.306 1.00 52.51 H new ATOM 963 N ASN A 65 12.757 12.495 -2.242 1.00 54.33 N ATOM 964 CA ASN A 65 12.901 13.936 -2.184 1.00 33.24 C ATOM 965 C ASN A 65 14.015 14.240 -1.212 1.00 73.25 C ATOM 966 O ASN A 65 14.551 13.315 -0.578 1.00 53.41 O ATOM 967 CB ASN A 65 11.600 14.616 -1.660 1.00 44.13 C ATOM 968 CG ASN A 65 11.289 14.264 -0.211 1.00 51.42 C ATOM 969 OD1 ASN A 65 11.793 14.909 0.690 1.00 31.32 O ATOM 970 ND2 ASN A 65 10.420 13.302 0.011 1.00 11.33 N ATOM 0 H ASN A 65 13.408 11.994 -1.637 1.00 54.33 H new ATOM 0 HA ASN A 65 13.110 14.315 -3.184 1.00 33.24 H new ATOM 0 HB2 ASN A 65 11.699 15.698 -1.753 1.00 44.13 H new ATOM 0 HB3 ASN A 65 10.761 14.318 -2.289 1.00 44.13 H new ATOM 0 HD21 ASN A 65 10.146 13.073 0.966 1.00 11.33 H new ATOM 0 HD22 ASN A 65 10.020 12.785 -0.772 1.00 11.33 H new ATOM 977 N SER A 66 14.378 15.489 -1.096 1.00 22.12 N ATOM 978 CA SER A 66 15.381 15.886 -0.152 1.00 72.24 C ATOM 979 C SER A 66 14.794 16.688 1.043 1.00 24.05 C ATOM 980 O SER A 66 14.943 16.299 2.202 1.00 20.15 O ATOM 981 CB SER A 66 16.401 16.716 -0.902 1.00 62.34 C ATOM 982 OG SER A 66 15.734 17.713 -1.679 1.00 4.15 O ATOM 0 H SER A 66 13.989 16.253 -1.649 1.00 22.12 H new ATOM 0 HA SER A 66 15.837 14.997 0.283 1.00 72.24 H new ATOM 0 HB2 SER A 66 17.087 17.188 -0.199 1.00 62.34 H new ATOM 0 HB3 SER A 66 16.999 16.076 -1.550 1.00 62.34 H new ATOM 0 HG SER A 66 16.397 18.249 -2.162 1.00 4.15 H new ATOM 988 N THR A 67 14.081 17.765 0.741 1.00 74.11 N ATOM 989 CA THR A 67 13.580 18.677 1.769 1.00 54.34 C ATOM 990 C THR A 67 12.194 18.295 2.301 1.00 42.01 C ATOM 991 O THR A 67 11.899 18.492 3.482 1.00 0.12 O ATOM 992 CB THR A 67 13.582 20.164 1.257 1.00 60.32 C ATOM 993 OG1 THR A 67 13.079 21.071 2.265 1.00 53.41 O ATOM 994 CG2 THR A 67 12.767 20.321 -0.027 1.00 65.45 C ATOM 0 H THR A 67 13.834 18.032 -0.212 1.00 74.11 H new ATOM 0 HA THR A 67 14.270 18.587 2.608 1.00 54.34 H new ATOM 0 HB THR A 67 14.620 20.418 1.042 1.00 60.32 H new ATOM 0 HG1 THR A 67 13.094 21.987 1.918 1.00 53.41 H new ATOM 0 HG21 THR A 67 12.792 21.362 -0.349 1.00 65.45 H new ATOM 0 HG22 THR A 67 13.192 19.689 -0.807 1.00 65.45 H new ATOM 0 HG23 THR A 67 11.735 20.024 0.159 1.00 65.45 H new ATOM 1002 N ASN A 68 11.391 17.678 1.469 1.00 3.42 N ATOM 1003 CA ASN A 68 9.972 17.392 1.768 1.00 42.24 C ATOM 1004 C ASN A 68 9.800 16.111 2.561 1.00 23.13 C ATOM 1005 O ASN A 68 8.731 15.469 2.492 1.00 21.24 O ATOM 1006 CB ASN A 68 9.182 17.286 0.467 1.00 22.14 C ATOM 1007 CG ASN A 68 8.941 18.609 -0.224 1.00 12.50 C ATOM 1008 OD1 ASN A 68 8.822 19.657 0.419 1.00 43.02 O ATOM 1009 ND2 ASN A 68 8.869 18.583 -1.526 1.00 54.43 N ATOM 0 H ASN A 68 11.688 17.349 0.551 1.00 3.42 H new ATOM 0 HA ASN A 68 9.596 18.215 2.376 1.00 42.24 H new ATOM 0 HB2 ASN A 68 9.716 16.625 -0.216 1.00 22.14 H new ATOM 0 HB3 ASN A 68 8.220 16.818 0.677 1.00 22.14 H new ATOM 0 HD21 ASN A 68 8.710 19.446 -2.045 1.00 54.43 H new ATOM 0 HD22 ASN A 68 8.972 17.699 -2.025 1.00 54.43 H new ATOM 1016 N GLY A 69 10.844 15.779 3.324 1.00 35.31 N ATOM 1017 CA GLY A 69 10.941 14.562 4.091 1.00 64.33 C ATOM 1018 C GLY A 69 9.708 14.241 4.882 1.00 12.40 C ATOM 1019 O GLY A 69 9.235 15.045 5.709 1.00 41.22 O ATOM 0 H GLY A 69 11.665 16.377 3.419 1.00 35.31 H new ATOM 0 HA2 GLY A 69 11.152 13.734 3.414 1.00 64.33 H new ATOM 0 HA3 GLY A 69 11.788 14.641 4.773 1.00 64.33 H new ATOM 1023 N THR A 70 9.202 13.107 4.619 1.00 22.04 N ATOM 1024 CA THR A 70 8.034 12.589 5.205 1.00 3.05 C ATOM 1025 C THR A 70 8.242 12.177 6.692 1.00 32.24 C ATOM 1026 O THR A 70 9.357 11.842 7.130 1.00 71.32 O ATOM 1027 CB THR A 70 7.571 11.427 4.302 1.00 44.50 C ATOM 1028 OG1 THR A 70 7.187 11.985 3.033 1.00 64.22 O ATOM 1029 CG2 THR A 70 6.451 10.601 4.883 1.00 31.12 C ATOM 0 H THR A 70 9.620 12.469 3.942 1.00 22.04 H new ATOM 0 HA THR A 70 7.255 13.350 5.260 1.00 3.05 H new ATOM 0 HB THR A 70 8.403 10.731 4.198 1.00 44.50 H new ATOM 0 HG1 THR A 70 7.976 12.058 2.456 1.00 64.22 H new ATOM 0 HG21 THR A 70 6.186 9.806 4.186 1.00 31.12 H new ATOM 0 HG22 THR A 70 6.774 10.163 5.827 1.00 31.12 H new ATOM 0 HG23 THR A 70 5.582 11.236 5.056 1.00 31.12 H new ATOM 1037 N THR A 71 7.190 12.302 7.463 1.00 24.52 N ATOM 1038 CA THR A 71 7.180 11.934 8.833 1.00 54.24 C ATOM 1039 C THR A 71 6.270 10.761 9.029 1.00 30.53 C ATOM 1040 O THR A 71 5.222 10.670 8.393 1.00 23.44 O ATOM 1041 CB THR A 71 6.700 13.091 9.728 1.00 5.40 C ATOM 1042 OG1 THR A 71 5.552 13.736 9.156 1.00 52.42 O ATOM 1043 CG2 THR A 71 7.790 14.089 9.954 1.00 21.13 C ATOM 0 H THR A 71 6.299 12.674 7.133 1.00 24.52 H new ATOM 0 HA THR A 71 8.201 11.679 9.117 1.00 54.24 H new ATOM 0 HB THR A 71 6.419 12.666 10.692 1.00 5.40 H new ATOM 0 HG1 THR A 71 5.543 14.680 9.418 1.00 52.42 H new ATOM 0 HG21 THR A 71 7.420 14.894 10.589 1.00 21.13 H new ATOM 0 HG22 THR A 71 8.635 13.601 10.440 1.00 21.13 H new ATOM 0 HG23 THR A 71 8.111 14.501 8.997 1.00 21.13 H new ATOM 1051 N VAL A 72 6.672 9.871 9.864 1.00 31.30 N ATOM 1052 CA VAL A 72 5.884 8.739 10.198 1.00 32.03 C ATOM 1053 C VAL A 72 5.706 8.728 11.698 1.00 20.10 C ATOM 1054 O VAL A 72 6.683 8.730 12.459 1.00 21.34 O ATOM 1055 CB VAL A 72 6.510 7.413 9.676 1.00 32.34 C ATOM 1056 CG1 VAL A 72 6.577 7.425 8.155 1.00 42.34 C ATOM 1057 CG2 VAL A 72 7.901 7.206 10.245 1.00 64.32 C ATOM 0 H VAL A 72 7.572 9.909 10.342 1.00 31.30 H new ATOM 0 HA VAL A 72 4.912 8.810 9.709 1.00 32.03 H new ATOM 0 HB VAL A 72 5.875 6.590 10.004 1.00 32.34 H new ATOM 0 HG11 VAL A 72 7.017 6.492 7.803 1.00 42.34 H new ATOM 0 HG12 VAL A 72 5.571 7.529 7.747 1.00 42.34 H new ATOM 0 HG13 VAL A 72 7.191 8.263 7.824 1.00 42.34 H new ATOM 0 HG21 VAL A 72 8.315 6.272 9.864 1.00 64.32 H new ATOM 0 HG22 VAL A 72 8.543 8.035 9.948 1.00 64.32 H new ATOM 0 HG23 VAL A 72 7.846 7.161 11.333 1.00 64.32 H new ATOM 1067 N ASN A 73 4.471 8.829 12.121 1.00 51.03 N ATOM 1068 CA ASN A 73 4.112 8.892 13.525 1.00 60.21 C ATOM 1069 C ASN A 73 4.813 10.081 14.189 1.00 70.23 C ATOM 1070 O ASN A 73 5.296 9.997 15.330 1.00 10.22 O ATOM 1071 CB ASN A 73 4.388 7.537 14.216 1.00 52.40 C ATOM 1072 CG ASN A 73 3.418 6.456 13.738 1.00 60.14 C ATOM 1073 OD1 ASN A 73 2.242 6.732 13.468 1.00 12.40 O ATOM 1074 ND2 ASN A 73 3.894 5.246 13.593 1.00 32.32 N ATOM 0 H ASN A 73 3.669 8.871 11.492 1.00 51.03 H new ATOM 0 HA ASN A 73 3.041 9.066 13.631 1.00 60.21 H new ATOM 0 HB2 ASN A 73 5.412 7.225 14.011 1.00 52.40 H new ATOM 0 HB3 ASN A 73 4.301 7.654 15.296 1.00 52.40 H new ATOM 0 HD21 ASN A 73 3.291 4.499 13.249 1.00 32.32 H new ATOM 0 HD22 ASN A 73 4.868 5.050 13.824 1.00 32.32 H new ATOM 1081 N ASN A 74 4.884 11.185 13.403 1.00 64.20 N ATOM 1082 CA ASN A 74 5.446 12.496 13.777 1.00 11.15 C ATOM 1083 C ASN A 74 6.986 12.522 13.654 1.00 4.24 C ATOM 1084 O ASN A 74 7.600 13.585 13.664 1.00 62.32 O ATOM 1085 CB ASN A 74 4.951 12.973 15.177 1.00 54.23 C ATOM 1086 CG ASN A 74 5.329 14.418 15.553 1.00 34.14 C ATOM 1087 OD1 ASN A 74 5.560 14.711 16.714 1.00 35.15 O ATOM 1088 ND2 ASN A 74 5.301 15.334 14.614 1.00 65.01 N ATOM 0 H ASN A 74 4.532 11.179 12.446 1.00 64.20 H new ATOM 0 HA ASN A 74 5.065 13.219 13.056 1.00 11.15 H new ATOM 0 HB2 ASN A 74 3.866 12.878 15.212 1.00 54.23 H new ATOM 0 HB3 ASN A 74 5.354 12.301 15.935 1.00 54.23 H new ATOM 0 HD21 ASN A 74 5.474 16.311 14.849 1.00 65.01 H new ATOM 0 HD22 ASN A 74 5.106 15.069 13.649 1.00 65.01 H new ATOM 1095 N ALA A 75 7.591 11.362 13.458 1.00 10.52 N ATOM 1096 CA ALA A 75 9.041 11.257 13.363 1.00 45.02 C ATOM 1097 C ALA A 75 9.498 11.358 11.900 1.00 52.24 C ATOM 1098 O ALA A 75 9.049 10.582 11.059 1.00 14.21 O ATOM 1099 CB ALA A 75 9.507 9.941 13.969 1.00 4.23 C ATOM 0 H ALA A 75 7.099 10.474 13.361 1.00 10.52 H new ATOM 0 HA ALA A 75 9.486 12.083 13.919 1.00 45.02 H new ATOM 0 HB1 ALA A 75 10.592 9.870 13.894 1.00 4.23 H new ATOM 0 HB2 ALA A 75 9.212 9.899 15.017 1.00 4.23 H new ATOM 0 HB3 ALA A 75 9.051 9.111 13.430 1.00 4.23 H new ATOM 1105 N PRO A 76 10.361 12.335 11.563 1.00 74.21 N ATOM 1106 CA PRO A 76 10.873 12.511 10.193 1.00 75.03 C ATOM 1107 C PRO A 76 11.786 11.366 9.757 1.00 10.55 C ATOM 1108 O PRO A 76 12.786 11.054 10.420 1.00 15.44 O ATOM 1109 CB PRO A 76 11.676 13.824 10.261 1.00 24.31 C ATOM 1110 CG PRO A 76 11.279 14.470 11.543 1.00 3.41 C ATOM 1111 CD PRO A 76 10.892 13.362 12.473 1.00 61.43 C ATOM 0 HA PRO A 76 10.060 12.528 9.467 1.00 75.03 H new ATOM 0 HB2 PRO A 76 12.748 13.630 10.236 1.00 24.31 H new ATOM 0 HB3 PRO A 76 11.448 14.467 9.411 1.00 24.31 H new ATOM 0 HG2 PRO A 76 12.102 15.053 11.955 1.00 3.41 H new ATOM 0 HG3 PRO A 76 10.447 15.157 11.390 1.00 3.41 H new ATOM 0 HD2 PRO A 76 11.747 12.995 13.041 1.00 61.43 H new ATOM 0 HD3 PRO A 76 10.144 13.686 13.197 1.00 61.43 H new ATOM 1119 N VAL A 77 11.456 10.758 8.645 1.00 21.51 N ATOM 1120 CA VAL A 77 12.215 9.645 8.089 1.00 3.10 C ATOM 1121 C VAL A 77 12.371 9.852 6.597 1.00 62.24 C ATOM 1122 O VAL A 77 11.983 10.893 6.078 1.00 75.21 O ATOM 1123 CB VAL A 77 11.499 8.279 8.317 1.00 41.53 C ATOM 1124 CG1 VAL A 77 11.382 7.950 9.796 1.00 63.50 C ATOM 1125 CG2 VAL A 77 10.123 8.274 7.652 1.00 44.31 C ATOM 0 H VAL A 77 10.643 11.019 8.087 1.00 21.51 H new ATOM 0 HA VAL A 77 13.181 9.618 8.593 1.00 3.10 H new ATOM 0 HB VAL A 77 12.110 7.504 7.854 1.00 41.53 H new ATOM 0 HG11 VAL A 77 10.878 6.991 9.917 1.00 63.50 H new ATOM 0 HG12 VAL A 77 12.378 7.894 10.236 1.00 63.50 H new ATOM 0 HG13 VAL A 77 10.806 8.728 10.297 1.00 63.50 H new ATOM 0 HG21 VAL A 77 9.640 7.312 7.823 1.00 44.31 H new ATOM 0 HG22 VAL A 77 9.510 9.069 8.078 1.00 44.31 H new ATOM 0 HG23 VAL A 77 10.236 8.438 6.580 1.00 44.31 H new ATOM 1135 N GLN A 78 13.000 8.908 5.933 1.00 44.22 N ATOM 1136 CA GLN A 78 13.051 8.909 4.486 1.00 50.31 C ATOM 1137 C GLN A 78 12.613 7.547 3.958 1.00 3.02 C ATOM 1138 O GLN A 78 12.688 7.273 2.753 1.00 72.23 O ATOM 1139 CB GLN A 78 14.445 9.250 3.968 1.00 61.21 C ATOM 1140 CG GLN A 78 14.951 10.603 4.411 1.00 22.01 C ATOM 1141 CD GLN A 78 16.241 10.999 3.727 1.00 53.20 C ATOM 1142 OE1 GLN A 78 16.505 10.609 2.583 1.00 64.31 O ATOM 1143 NE2 GLN A 78 17.046 11.768 4.400 1.00 54.25 N ATOM 0 H GLN A 78 13.485 8.126 6.373 1.00 44.22 H new ATOM 0 HA GLN A 78 12.371 9.680 4.125 1.00 50.31 H new ATOM 0 HB2 GLN A 78 15.144 8.484 4.304 1.00 61.21 H new ATOM 0 HB3 GLN A 78 14.435 9.216 2.879 1.00 61.21 H new ATOM 0 HG2 GLN A 78 14.190 11.356 4.205 1.00 22.01 H new ATOM 0 HG3 GLN A 78 15.105 10.593 5.490 1.00 22.01 H new ATOM 0 HE21 GLN A 78 16.795 12.070 5.341 1.00 54.25 H new ATOM 0 HE22 GLN A 78 17.928 12.069 3.986 1.00 54.25 H new ATOM 1152 N GLU A 79 12.160 6.699 4.866 1.00 4.30 N ATOM 1153 CA GLU A 79 11.707 5.361 4.554 1.00 52.10 C ATOM 1154 C GLU A 79 11.074 4.783 5.798 1.00 73.33 C ATOM 1155 O GLU A 79 11.424 5.203 6.913 1.00 3.22 O ATOM 1156 CB GLU A 79 12.870 4.473 4.074 1.00 24.15 C ATOM 1157 CG GLU A 79 13.959 4.263 5.105 1.00 51.44 C ATOM 1158 CD GLU A 79 15.156 3.562 4.547 1.00 41.22 C ATOM 1159 OE1 GLU A 79 15.098 2.346 4.302 1.00 1.50 O ATOM 1160 OE2 GLU A 79 16.200 4.216 4.370 1.00 23.34 O ATOM 0 H GLU A 79 12.097 6.929 5.858 1.00 4.30 H new ATOM 0 HA GLU A 79 10.982 5.399 3.741 1.00 52.10 H new ATOM 0 HB2 GLU A 79 12.473 3.502 3.779 1.00 24.15 H new ATOM 0 HB3 GLU A 79 13.310 4.921 3.183 1.00 24.15 H new ATOM 0 HG2 GLU A 79 14.264 5.229 5.507 1.00 51.44 H new ATOM 0 HG3 GLU A 79 13.559 3.683 5.937 1.00 51.44 H new ATOM 1167 N TRP A 80 10.157 3.866 5.623 1.00 61.10 N ATOM 1168 CA TRP A 80 9.437 3.254 6.723 1.00 73.14 C ATOM 1169 C TRP A 80 8.705 2.032 6.205 1.00 65.13 C ATOM 1170 O TRP A 80 8.425 1.936 5.014 1.00 11.31 O ATOM 1171 CB TRP A 80 8.454 4.296 7.323 1.00 32.32 C ATOM 1172 CG TRP A 80 7.609 3.854 8.478 1.00 52.02 C ATOM 1173 CD1 TRP A 80 6.284 3.540 8.443 1.00 25.31 C ATOM 1174 CD2 TRP A 80 8.015 3.725 9.840 1.00 43.14 C ATOM 1175 NE1 TRP A 80 5.843 3.219 9.690 1.00 35.40 N ATOM 1176 CE2 TRP A 80 6.884 3.324 10.572 1.00 52.14 C ATOM 1177 CE3 TRP A 80 9.226 3.906 10.516 1.00 64.12 C ATOM 1178 CZ2 TRP A 80 6.924 3.107 11.943 1.00 22.03 C ATOM 1179 CZ3 TRP A 80 9.263 3.691 11.877 1.00 32.33 C ATOM 1180 CH2 TRP A 80 8.117 3.295 12.576 1.00 14.44 C ATOM 0 H TRP A 80 9.882 3.516 4.705 1.00 61.10 H new ATOM 0 HA TRP A 80 10.121 2.938 7.511 1.00 73.14 H new ATOM 0 HB2 TRP A 80 9.033 5.163 7.640 1.00 32.32 H new ATOM 0 HB3 TRP A 80 7.789 4.631 6.527 1.00 32.32 H new ATOM 0 HD1 TRP A 80 5.671 3.545 7.554 1.00 25.31 H new ATOM 0 HE1 TRP A 80 4.890 2.944 9.929 1.00 35.40 H new ATOM 0 HE3 TRP A 80 10.115 4.208 9.982 1.00 64.12 H new ATOM 0 HZ2 TRP A 80 6.043 2.801 12.488 1.00 22.03 H new ATOM 0 HZ3 TRP A 80 10.191 3.830 12.412 1.00 32.33 H new ATOM 0 HH2 TRP A 80 8.179 3.134 13.642 1.00 14.44 H new ATOM 1191 N GLN A 81 8.477 1.074 7.045 1.00 33.12 N ATOM 1192 CA GLN A 81 7.675 -0.059 6.660 1.00 44.03 C ATOM 1193 C GLN A 81 6.323 0.096 7.310 1.00 30.42 C ATOM 1194 O GLN A 81 6.210 0.059 8.547 1.00 34.24 O ATOM 1195 CB GLN A 81 8.335 -1.393 7.015 1.00 20.35 C ATOM 1196 CG GLN A 81 9.696 -1.586 6.358 1.00 3.32 C ATOM 1197 CD GLN A 81 10.274 -2.967 6.576 1.00 33.21 C ATOM 1198 OE1 GLN A 81 9.998 -3.621 7.579 1.00 42.13 O ATOM 1199 NE2 GLN A 81 11.087 -3.414 5.658 1.00 32.04 N ATOM 0 H GLN A 81 8.831 1.047 8.001 1.00 33.12 H new ATOM 0 HA GLN A 81 7.568 -0.079 5.575 1.00 44.03 H new ATOM 0 HB2 GLN A 81 8.449 -1.457 8.097 1.00 20.35 H new ATOM 0 HB3 GLN A 81 7.676 -2.208 6.715 1.00 20.35 H new ATOM 0 HG2 GLN A 81 9.604 -1.403 5.287 1.00 3.32 H new ATOM 0 HG3 GLN A 81 10.390 -0.843 6.750 1.00 3.32 H new ATOM 0 HE21 GLN A 81 11.293 -2.844 4.838 1.00 32.04 H new ATOM 0 HE22 GLN A 81 11.516 -4.334 5.761 1.00 32.04 H new ATOM 1208 N LEU A 82 5.330 0.336 6.482 1.00 64.53 N ATOM 1209 CA LEU A 82 3.968 0.657 6.914 1.00 13.33 C ATOM 1210 C LEU A 82 3.333 -0.409 7.790 1.00 54.30 C ATOM 1211 O LEU A 82 3.518 -1.613 7.568 1.00 45.34 O ATOM 1212 CB LEU A 82 3.057 0.853 5.705 1.00 31.22 C ATOM 1213 CG LEU A 82 3.470 1.903 4.683 1.00 61.13 C ATOM 1214 CD1 LEU A 82 2.403 2.063 3.616 1.00 54.41 C ATOM 1215 CD2 LEU A 82 3.734 3.211 5.359 1.00 31.31 C ATOM 0 H LEU A 82 5.439 0.316 5.468 1.00 64.53 H new ATOM 0 HA LEU A 82 4.066 1.570 7.502 1.00 13.33 H new ATOM 0 HB2 LEU A 82 2.970 -0.104 5.190 1.00 31.22 H new ATOM 0 HB3 LEU A 82 2.063 1.110 6.070 1.00 31.22 H new ATOM 0 HG LEU A 82 4.388 1.569 4.200 1.00 61.13 H new ATOM 0 HD11 LEU A 82 2.719 2.818 2.896 1.00 54.41 H new ATOM 0 HD12 LEU A 82 2.255 1.112 3.104 1.00 54.41 H new ATOM 0 HD13 LEU A 82 1.467 2.374 4.081 1.00 54.41 H new ATOM 0 HD21 LEU A 82 4.028 3.952 4.616 1.00 31.31 H new ATOM 0 HD22 LEU A 82 2.830 3.547 5.868 1.00 31.31 H new ATOM 0 HD23 LEU A 82 4.536 3.089 6.087 1.00 31.31 H new ATOM 1227 N ALA A 83 2.605 0.042 8.771 1.00 53.40 N ATOM 1228 CA ALA A 83 1.783 -0.798 9.587 1.00 25.31 C ATOM 1229 C ALA A 83 0.445 -0.114 9.741 1.00 41.24 C ATOM 1230 O ALA A 83 0.322 1.098 9.468 1.00 3.10 O ATOM 1231 CB ALA A 83 2.414 -1.050 10.949 1.00 44.14 C ATOM 0 H ALA A 83 2.567 1.028 9.030 1.00 53.40 H new ATOM 0 HA ALA A 83 1.668 -1.772 9.112 1.00 25.31 H new ATOM 0 HB1 ALA A 83 1.760 -1.692 11.540 1.00 44.14 H new ATOM 0 HB2 ALA A 83 3.380 -1.538 10.818 1.00 44.14 H new ATOM 0 HB3 ALA A 83 2.554 -0.101 11.466 1.00 44.14 H new ATOM 1237 N ASP A 84 -0.545 -0.856 10.141 1.00 13.40 N ATOM 1238 CA ASP A 84 -1.881 -0.324 10.331 1.00 31.40 C ATOM 1239 C ASP A 84 -1.890 0.696 11.460 1.00 12.42 C ATOM 1240 O ASP A 84 -1.374 0.432 12.552 1.00 34.34 O ATOM 1241 CB ASP A 84 -2.861 -1.465 10.630 1.00 73.15 C ATOM 1242 CG ASP A 84 -4.280 -0.996 10.856 1.00 43.32 C ATOM 1243 OD1 ASP A 84 -4.934 -0.548 9.887 1.00 75.15 O ATOM 1244 OD2 ASP A 84 -4.786 -1.114 12.004 1.00 51.11 O ATOM 0 H ASP A 84 -0.459 -1.851 10.348 1.00 13.40 H new ATOM 0 HA ASP A 84 -2.195 0.177 9.415 1.00 31.40 H new ATOM 0 HB2 ASP A 84 -2.848 -2.172 9.800 1.00 73.15 H new ATOM 0 HB3 ASP A 84 -2.520 -2.005 11.514 1.00 73.15 H new ATOM 1249 N GLY A 85 -2.391 1.876 11.176 1.00 10.42 N ATOM 1250 CA GLY A 85 -2.509 2.895 12.191 1.00 1.53 C ATOM 1251 C GLY A 85 -1.381 3.911 12.160 1.00 62.02 C ATOM 1252 O GLY A 85 -1.339 4.820 13.006 1.00 52.13 O ATOM 0 H GLY A 85 -2.723 2.153 10.252 1.00 10.42 H new ATOM 0 HA2 GLY A 85 -3.459 3.414 12.065 1.00 1.53 H new ATOM 0 HA3 GLY A 85 -2.533 2.420 13.172 1.00 1.53 H new ATOM 1256 N ASP A 86 -0.467 3.777 11.211 1.00 4.41 N ATOM 1257 CA ASP A 86 0.640 4.729 11.107 1.00 12.51 C ATOM 1258 C ASP A 86 0.167 6.056 10.572 1.00 11.14 C ATOM 1259 O ASP A 86 -0.553 6.115 9.559 1.00 42.30 O ATOM 1260 CB ASP A 86 1.833 4.205 10.274 1.00 12.43 C ATOM 1261 CG ASP A 86 2.663 3.154 10.989 1.00 53.20 C ATOM 1262 OD1 ASP A 86 2.670 3.130 12.247 1.00 24.33 O ATOM 1263 OD2 ASP A 86 3.341 2.341 10.312 1.00 22.15 O ATOM 0 H ASP A 86 -0.464 3.035 10.512 1.00 4.41 H new ATOM 0 HA ASP A 86 1.009 4.863 12.124 1.00 12.51 H new ATOM 0 HB2 ASP A 86 1.457 3.785 9.341 1.00 12.43 H new ATOM 0 HB3 ASP A 86 2.476 5.044 10.009 1.00 12.43 H new ATOM 1268 N VAL A 87 0.531 7.106 11.273 1.00 3.34 N ATOM 1269 CA VAL A 87 0.185 8.460 10.897 1.00 15.34 C ATOM 1270 C VAL A 87 1.330 9.008 10.107 1.00 63.50 C ATOM 1271 O VAL A 87 2.406 9.127 10.617 1.00 75.53 O ATOM 1272 CB VAL A 87 -0.042 9.366 12.141 1.00 35.25 C ATOM 1273 CG1 VAL A 87 -0.532 10.742 11.722 1.00 0.35 C ATOM 1274 CG2 VAL A 87 -1.015 8.724 13.119 1.00 43.21 C ATOM 0 H VAL A 87 1.081 7.044 12.129 1.00 3.34 H new ATOM 0 HA VAL A 87 -0.742 8.446 10.324 1.00 15.34 H new ATOM 0 HB VAL A 87 0.916 9.482 12.649 1.00 35.25 H new ATOM 0 HG11 VAL A 87 -0.684 11.359 12.607 1.00 0.35 H new ATOM 0 HG12 VAL A 87 0.210 11.211 11.076 1.00 0.35 H new ATOM 0 HG13 VAL A 87 -1.474 10.644 11.182 1.00 0.35 H new ATOM 0 HG21 VAL A 87 -1.154 9.380 13.978 1.00 43.21 H new ATOM 0 HG22 VAL A 87 -1.974 8.564 12.626 1.00 43.21 H new ATOM 0 HG23 VAL A 87 -0.615 7.767 13.454 1.00 43.21 H new ATOM 1284 N ILE A 88 1.123 9.315 8.887 1.00 50.02 N ATOM 1285 CA ILE A 88 2.209 9.742 8.065 1.00 42.14 C ATOM 1286 C ILE A 88 1.935 11.114 7.492 1.00 33.54 C ATOM 1287 O ILE A 88 0.838 11.395 7.047 1.00 20.24 O ATOM 1288 CB ILE A 88 2.450 8.709 6.931 1.00 20.15 C ATOM 1289 CG1 ILE A 88 2.815 7.349 7.542 1.00 3.22 C ATOM 1290 CG2 ILE A 88 3.516 9.178 5.948 1.00 4.23 C ATOM 1291 CD1 ILE A 88 3.139 6.285 6.537 1.00 13.22 C ATOM 0 H ILE A 88 0.215 9.282 8.424 1.00 50.02 H new ATOM 0 HA ILE A 88 3.110 9.807 8.676 1.00 42.14 H new ATOM 0 HB ILE A 88 1.527 8.606 6.360 1.00 20.15 H new ATOM 0 HG12 ILE A 88 3.671 7.480 8.203 1.00 3.22 H new ATOM 0 HG13 ILE A 88 1.984 7.007 8.160 1.00 3.22 H new ATOM 0 HG21 ILE A 88 3.652 8.425 5.172 1.00 4.23 H new ATOM 0 HG22 ILE A 88 3.202 10.117 5.492 1.00 4.23 H new ATOM 0 HG23 ILE A 88 4.457 9.328 6.476 1.00 4.23 H new ATOM 0 HD11 ILE A 88 3.385 5.358 7.055 1.00 13.22 H new ATOM 0 HD12 ILE A 88 2.277 6.121 5.890 1.00 13.22 H new ATOM 0 HD13 ILE A 88 3.990 6.601 5.934 1.00 13.22 H new ATOM 1303 N ARG A 89 2.902 11.981 7.545 1.00 1.14 N ATOM 1304 CA ARG A 89 2.753 13.266 6.932 1.00 22.01 C ATOM 1305 C ARG A 89 3.854 13.497 5.962 1.00 43.10 C ATOM 1306 O ARG A 89 5.025 13.440 6.303 1.00 31.43 O ATOM 1307 CB ARG A 89 2.700 14.436 7.920 1.00 61.21 C ATOM 1308 CG ARG A 89 1.587 14.372 8.929 1.00 1.31 C ATOM 1309 CD ARG A 89 1.412 15.713 9.650 1.00 2.43 C ATOM 1310 NE ARG A 89 0.818 16.750 8.777 1.00 60.05 N ATOM 1311 CZ ARG A 89 1.473 17.798 8.259 1.00 43.01 C ATOM 1312 NH1 ARG A 89 2.752 18.008 8.557 1.00 73.10 N ATOM 1313 NH2 ARG A 89 0.833 18.645 7.457 1.00 3.33 N ATOM 0 H ARG A 89 3.799 11.823 8.004 1.00 1.14 H new ATOM 0 HA ARG A 89 1.785 13.240 6.431 1.00 22.01 H new ATOM 0 HB2 ARG A 89 3.650 14.484 8.453 1.00 61.21 H new ATOM 0 HB3 ARG A 89 2.604 15.363 7.355 1.00 61.21 H new ATOM 0 HG2 ARG A 89 0.656 14.100 8.431 1.00 1.31 H new ATOM 0 HG3 ARG A 89 1.798 13.590 9.658 1.00 1.31 H new ATOM 0 HD2 ARG A 89 0.778 15.572 10.525 1.00 2.43 H new ATOM 0 HD3 ARG A 89 2.381 16.057 10.011 1.00 2.43 H new ATOM 0 HE ARG A 89 -0.172 16.659 8.551 1.00 60.05 H new ATOM 0 HH11 ARG A 89 3.241 17.369 9.184 1.00 73.10 H new ATOM 0 HH12 ARG A 89 3.244 18.808 8.159 1.00 73.10 H new ATOM 0 HH21 ARG A 89 -0.152 18.495 7.239 1.00 3.33 H new ATOM 0 HH22 ARG A 89 1.327 19.444 7.060 1.00 3.33 H new ATOM 1327 N LEU A 90 3.492 13.753 4.785 1.00 65.54 N ATOM 1328 CA LEU A 90 4.425 14.097 3.777 1.00 63.20 C ATOM 1329 C LEU A 90 4.337 15.588 3.630 1.00 23.30 C ATOM 1330 O LEU A 90 3.387 16.174 4.157 1.00 12.13 O ATOM 1331 CB LEU A 90 4.217 13.332 2.430 1.00 42.50 C ATOM 1332 CG LEU A 90 2.867 13.437 1.677 1.00 52.31 C ATOM 1333 CD1 LEU A 90 3.045 12.900 0.270 1.00 15.03 C ATOM 1334 CD2 LEU A 90 1.766 12.625 2.358 1.00 35.32 C ATOM 0 H LEU A 90 2.522 13.734 4.471 1.00 65.54 H new ATOM 0 HA LEU A 90 5.429 13.789 4.070 1.00 63.20 H new ATOM 0 HB2 LEU A 90 4.996 13.665 1.745 1.00 42.50 H new ATOM 0 HB3 LEU A 90 4.396 12.275 2.627 1.00 42.50 H new ATOM 0 HG LEU A 90 2.572 14.486 1.673 1.00 52.31 H new ATOM 0 HD11 LEU A 90 2.100 12.970 -0.268 1.00 15.03 H new ATOM 0 HD12 LEU A 90 3.803 13.486 -0.250 1.00 15.03 H new ATOM 0 HD13 LEU A 90 3.361 11.858 0.316 1.00 15.03 H new ATOM 0 HD21 LEU A 90 0.838 12.728 1.796 1.00 35.32 H new ATOM 0 HD22 LEU A 90 2.056 11.575 2.391 1.00 35.32 H new ATOM 0 HD23 LEU A 90 1.618 12.992 3.373 1.00 35.32 H new ATOM 1346 N GLY A 91 5.327 16.202 3.022 1.00 33.11 N ATOM 1347 CA GLY A 91 5.357 17.657 2.872 1.00 64.24 C ATOM 1348 C GLY A 91 4.036 18.254 2.393 1.00 14.52 C ATOM 1349 O GLY A 91 3.685 18.128 1.218 1.00 1.30 O ATOM 0 H GLY A 91 6.131 15.721 2.618 1.00 33.11 H new ATOM 0 HA2 GLY A 91 5.622 18.106 3.829 1.00 64.24 H new ATOM 0 HA3 GLY A 91 6.143 17.924 2.166 1.00 64.24 H new ATOM 1353 N HIS A 92 3.299 18.849 3.351 1.00 43.11 N ATOM 1354 CA HIS A 92 2.018 19.540 3.122 1.00 60.00 C ATOM 1355 C HIS A 92 0.805 18.613 2.988 1.00 12.00 C ATOM 1356 O HIS A 92 -0.261 19.046 2.546 1.00 45.32 O ATOM 1357 CB HIS A 92 2.087 20.536 1.957 1.00 70.00 C ATOM 1358 CG HIS A 92 2.815 21.810 2.264 1.00 73.14 C ATOM 1359 ND1 HIS A 92 2.444 23.022 1.754 1.00 51.21 N ATOM 1360 CD2 HIS A 92 3.907 22.044 3.024 1.00 63.32 C ATOM 1361 CE1 HIS A 92 3.291 23.943 2.195 1.00 73.13 C ATOM 1362 NE2 HIS A 92 4.209 23.403 2.980 1.00 24.23 N ATOM 0 H HIS A 92 3.586 18.862 4.330 1.00 43.11 H new ATOM 0 HA HIS A 92 1.855 20.104 4.040 1.00 60.00 H new ATOM 0 HB2 HIS A 92 2.573 20.051 1.110 1.00 70.00 H new ATOM 0 HB3 HIS A 92 1.072 20.780 1.645 1.00 70.00 H new ATOM 0 HD1 HIS A 92 1.649 23.191 1.138 1.00 51.21 H new ATOM 0 HD2 HIS A 92 4.457 21.297 3.577 1.00 63.32 H new ATOM 0 HE1 HIS A 92 3.238 24.993 1.947 1.00 73.13 H new ATOM 1370 N SER A 93 0.929 17.361 3.382 1.00 12.44 N ATOM 1371 CA SER A 93 -0.213 16.444 3.349 1.00 41.01 C ATOM 1372 C SER A 93 -0.109 15.361 4.428 1.00 1.03 C ATOM 1373 O SER A 93 0.967 14.859 4.705 1.00 11.53 O ATOM 1374 CB SER A 93 -0.360 15.803 1.959 1.00 60.52 C ATOM 1375 OG SER A 93 -0.630 16.788 0.965 1.00 71.45 O ATOM 0 H SER A 93 1.797 16.950 3.727 1.00 12.44 H new ATOM 0 HA SER A 93 -1.105 17.034 3.559 1.00 41.01 H new ATOM 0 HB2 SER A 93 0.554 15.266 1.704 1.00 60.52 H new ATOM 0 HB3 SER A 93 -1.166 15.070 1.977 1.00 60.52 H new ATOM 0 HG SER A 93 -0.687 17.671 1.386 1.00 71.45 H new ATOM 1381 N GLU A 94 -1.219 15.016 5.039 1.00 3.43 N ATOM 1382 CA GLU A 94 -1.219 13.980 6.048 1.00 11.23 C ATOM 1383 C GLU A 94 -2.099 12.826 5.645 1.00 43.43 C ATOM 1384 O GLU A 94 -3.183 13.017 5.088 1.00 21.23 O ATOM 1385 CB GLU A 94 -1.545 14.535 7.427 1.00 43.51 C ATOM 1386 CG GLU A 94 -2.856 15.260 7.565 1.00 25.35 C ATOM 1387 CD GLU A 94 -2.857 16.073 8.821 1.00 4.41 C ATOM 1388 OE1 GLU A 94 -2.233 17.160 8.813 1.00 12.05 O ATOM 1389 OE2 GLU A 94 -3.422 15.635 9.847 1.00 52.13 O ATOM 0 H GLU A 94 -2.131 15.435 4.857 1.00 3.43 H new ATOM 0 HA GLU A 94 -0.207 13.581 6.123 1.00 11.23 H new ATOM 0 HB2 GLU A 94 -1.535 13.709 8.138 1.00 43.51 H new ATOM 0 HB3 GLU A 94 -0.746 15.216 7.718 1.00 43.51 H new ATOM 0 HG2 GLU A 94 -3.017 15.907 6.702 1.00 25.35 H new ATOM 0 HG3 GLU A 94 -3.678 14.544 7.584 1.00 25.35 H new ATOM 1396 N ILE A 95 -1.625 11.648 5.911 1.00 23.52 N ATOM 1397 CA ILE A 95 -2.246 10.455 5.461 1.00 54.44 C ATOM 1398 C ILE A 95 -2.192 9.389 6.582 1.00 75.24 C ATOM 1399 O ILE A 95 -1.227 9.329 7.353 1.00 52.05 O ATOM 1400 CB ILE A 95 -1.493 9.956 4.172 1.00 54.11 C ATOM 1401 CG1 ILE A 95 -2.261 8.889 3.452 1.00 62.10 C ATOM 1402 CG2 ILE A 95 -0.075 9.483 4.455 1.00 14.30 C ATOM 1403 CD1 ILE A 95 -3.480 9.425 2.777 1.00 5.43 C ATOM 0 H ILE A 95 -0.778 11.493 6.458 1.00 23.52 H new ATOM 0 HA ILE A 95 -3.293 10.636 5.216 1.00 54.44 H new ATOM 0 HB ILE A 95 -1.420 10.829 3.523 1.00 54.11 H new ATOM 0 HG12 ILE A 95 -1.616 8.418 2.711 1.00 62.10 H new ATOM 0 HG13 ILE A 95 -2.552 8.113 4.160 1.00 62.10 H new ATOM 0 HG21 ILE A 95 0.390 9.152 3.527 1.00 14.30 H new ATOM 0 HG22 ILE A 95 0.504 10.303 4.879 1.00 14.30 H new ATOM 0 HG23 ILE A 95 -0.102 8.654 5.163 1.00 14.30 H new ATOM 0 HD11 ILE A 95 -4.002 8.613 2.270 1.00 5.43 H new ATOM 0 HD12 ILE A 95 -4.140 9.872 3.520 1.00 5.43 H new ATOM 0 HD13 ILE A 95 -3.189 10.181 2.048 1.00 5.43 H new ATOM 1415 N ILE A 96 -3.234 8.616 6.712 1.00 53.54 N ATOM 1416 CA ILE A 96 -3.263 7.539 7.682 1.00 11.45 C ATOM 1417 C ILE A 96 -3.213 6.230 6.929 1.00 21.54 C ATOM 1418 O ILE A 96 -3.901 6.062 5.928 1.00 41.43 O ATOM 1419 CB ILE A 96 -4.552 7.571 8.559 1.00 43.03 C ATOM 1420 CG1 ILE A 96 -4.716 8.930 9.243 1.00 14.20 C ATOM 1421 CG2 ILE A 96 -4.550 6.443 9.599 1.00 52.33 C ATOM 1422 CD1 ILE A 96 -3.590 9.306 10.183 1.00 43.24 C ATOM 0 H ILE A 96 -4.085 8.707 6.157 1.00 53.54 H new ATOM 0 HA ILE A 96 -2.409 7.653 8.350 1.00 11.45 H new ATOM 0 HB ILE A 96 -5.402 7.415 7.895 1.00 43.03 H new ATOM 0 HG12 ILE A 96 -4.803 9.699 8.476 1.00 14.20 H new ATOM 0 HG13 ILE A 96 -5.652 8.930 9.801 1.00 14.20 H new ATOM 0 HG21 ILE A 96 -5.462 6.494 10.193 1.00 52.33 H new ATOM 0 HG22 ILE A 96 -4.502 5.480 9.091 1.00 52.33 H new ATOM 0 HG23 ILE A 96 -3.685 6.552 10.253 1.00 52.33 H new ATOM 0 HD11 ILE A 96 -3.793 10.283 10.621 1.00 43.24 H new ATOM 0 HD12 ILE A 96 -3.514 8.562 10.976 1.00 43.24 H new ATOM 0 HD13 ILE A 96 -2.652 9.344 9.630 1.00 43.24 H new ATOM 1434 N VAL A 97 -2.399 5.331 7.373 1.00 75.43 N ATOM 1435 CA VAL A 97 -2.278 4.049 6.728 1.00 42.43 C ATOM 1436 C VAL A 97 -3.131 3.002 7.424 1.00 64.23 C ATOM 1437 O VAL A 97 -2.990 2.760 8.626 1.00 42.22 O ATOM 1438 CB VAL A 97 -0.807 3.587 6.642 1.00 32.04 C ATOM 1439 CG1 VAL A 97 -0.717 2.185 6.074 1.00 63.44 C ATOM 1440 CG2 VAL A 97 -0.021 4.545 5.771 1.00 22.45 C ATOM 0 H VAL A 97 -1.798 5.455 8.188 1.00 75.43 H new ATOM 0 HA VAL A 97 -2.646 4.167 5.709 1.00 42.43 H new ATOM 0 HB VAL A 97 -0.386 3.580 7.647 1.00 32.04 H new ATOM 0 HG11 VAL A 97 0.328 1.880 6.022 1.00 63.44 H new ATOM 0 HG12 VAL A 97 -1.265 1.496 6.717 1.00 63.44 H new ATOM 0 HG13 VAL A 97 -1.149 2.169 5.074 1.00 63.44 H new ATOM 0 HG21 VAL A 97 1.016 4.216 5.713 1.00 22.45 H new ATOM 0 HG22 VAL A 97 -0.452 4.564 4.770 1.00 22.45 H new ATOM 0 HG23 VAL A 97 -0.061 5.545 6.203 1.00 22.45 H new ATOM 1450 N ARG A 98 -4.028 2.415 6.676 1.00 53.52 N ATOM 1451 CA ARG A 98 -4.907 1.392 7.167 1.00 62.14 C ATOM 1452 C ARG A 98 -4.637 0.123 6.421 1.00 63.14 C ATOM 1453 O ARG A 98 -4.502 0.127 5.203 1.00 42.31 O ATOM 1454 CB ARG A 98 -6.368 1.817 6.993 1.00 1.43 C ATOM 1455 CG ARG A 98 -6.723 3.080 7.750 1.00 41.21 C ATOM 1456 CD ARG A 98 -6.767 2.849 9.252 1.00 72.12 C ATOM 1457 NE ARG A 98 -7.965 2.094 9.667 1.00 61.44 N ATOM 1458 CZ ARG A 98 -8.063 1.349 10.778 1.00 14.23 C ATOM 1459 NH1 ARG A 98 -6.976 0.921 11.403 1.00 2.31 N ATOM 1460 NH2 ARG A 98 -9.251 0.955 11.197 1.00 34.22 N ATOM 0 H ARG A 98 -4.169 2.640 5.691 1.00 53.52 H new ATOM 0 HA ARG A 98 -4.727 1.233 8.230 1.00 62.14 H new ATOM 0 HB2 ARG A 98 -6.570 1.969 5.933 1.00 1.43 H new ATOM 0 HB3 ARG A 98 -7.016 1.007 7.328 1.00 1.43 H new ATOM 0 HG2 ARG A 98 -5.992 3.856 7.524 1.00 41.21 H new ATOM 0 HG3 ARG A 98 -7.692 3.446 7.411 1.00 41.21 H new ATOM 0 HD2 ARG A 98 -5.873 2.306 9.560 1.00 72.12 H new ATOM 0 HD3 ARG A 98 -6.750 3.810 9.766 1.00 72.12 H new ATOM 0 HE ARG A 98 -8.784 2.143 9.061 1.00 61.44 H new ATOM 0 HH11 ARG A 98 -6.053 1.157 11.040 1.00 2.31 H new ATOM 0 HH12 ARG A 98 -7.063 0.355 12.247 1.00 2.31 H new ATOM 0 HH21 ARG A 98 -10.088 1.217 10.677 1.00 34.22 H new ATOM 0 HH22 ARG A 98 -9.332 0.388 12.041 1.00 34.22 H new ATOM 1474 N MET A 99 -4.503 -0.935 7.131 1.00 61.44 N ATOM 1475 CA MET A 99 -4.280 -2.214 6.510 1.00 20.22 C ATOM 1476 C MET A 99 -5.432 -3.109 6.812 1.00 11.01 C ATOM 1477 O MET A 99 -5.724 -3.402 7.971 1.00 35.03 O ATOM 1478 CB MET A 99 -2.951 -2.861 6.922 1.00 14.20 C ATOM 1479 CG MET A 99 -1.717 -2.070 6.502 1.00 23.45 C ATOM 1480 SD MET A 99 -0.159 -2.898 6.906 1.00 2.23 S ATOM 1481 CE MET A 99 -0.300 -4.403 5.933 1.00 64.11 C ATOM 0 H MET A 99 -4.542 -0.954 8.150 1.00 61.44 H new ATOM 0 HA MET A 99 -4.206 -2.055 5.434 1.00 20.22 H new ATOM 0 HB2 MET A 99 -2.939 -2.984 8.005 1.00 14.20 H new ATOM 0 HB3 MET A 99 -2.895 -3.859 6.487 1.00 14.20 H new ATOM 0 HG2 MET A 99 -1.757 -1.892 5.427 1.00 23.45 H new ATOM 0 HG3 MET A 99 -1.738 -1.094 6.987 1.00 23.45 H new ATOM 0 HE1 MET A 99 0.667 -4.642 5.490 1.00 64.11 H new ATOM 0 HE2 MET A 99 -0.617 -5.224 6.576 1.00 64.11 H new ATOM 0 HE3 MET A 99 -1.035 -4.257 5.142 1.00 64.11 H new ATOM 1491 N HIS A 100 -6.108 -3.490 5.797 1.00 1.21 N ATOM 1492 CA HIS A 100 -7.271 -4.310 5.902 1.00 44.24 C ATOM 1493 C HIS A 100 -6.927 -5.662 5.325 1.00 4.34 C ATOM 1494 O HIS A 100 -6.493 -6.553 6.068 1.00 3.15 O ATOM 1495 CB HIS A 100 -8.437 -3.689 5.099 1.00 4.41 C ATOM 1496 CG HIS A 100 -8.758 -2.256 5.436 1.00 10.20 C ATOM 1497 ND1 HIS A 100 -9.744 -1.871 6.307 1.00 45.10 N ATOM 1498 CD2 HIS A 100 -8.212 -1.106 4.963 1.00 63.42 C ATOM 1499 CE1 HIS A 100 -9.776 -0.540 6.340 1.00 25.12 C ATOM 1500 NE2 HIS A 100 -8.860 -0.022 5.538 1.00 42.02 N ATOM 1501 OXT HIS A 100 -7.041 -5.832 4.106 1.00 36.92 O ATOM 0 H HIS A 100 -5.868 -3.238 4.838 1.00 1.21 H new ATOM 0 HA HIS A 100 -7.579 -4.396 6.944 1.00 44.24 H new ATOM 0 HB2 HIS A 100 -8.199 -3.751 4.037 1.00 4.41 H new ATOM 0 HB3 HIS A 100 -9.330 -4.292 5.261 1.00 4.41 H new ATOM 0 HD2 HIS A 100 -7.402 -1.045 4.252 1.00 63.42 H new ATOM 0 HE1 HIS A 100 -10.460 0.040 6.942 1.00 25.12 H new ATOM 0 HE2 HIS A 100 -8.670 0.967 5.376 1.00 42.02 H new