USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 435 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 Single : A1054 SER OG : rot 15:sc= 0.515 USER MOD Single : A1055 ASN : amide:sc=-0.00975 X(o=-0.0098,f=0) USER MOD Single : A1060 TYR OH : rot 180:sc= 0 USER MOD Single : A1062 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00489) USER MOD Single : A1063 GLN : amide:sc= 0.422 K(o=0.42,f=-4.6!) USER MOD Single : A1064 MET CE :methyl -114:sc= -4.56! (180deg=-8.61!) USER MOD Single : A1066 TYR OH : rot 178:sc= -0.264 USER MOD Single : A1068 TYR OH : rot 180:sc= 0 USER MOD Single : A1071 SER OG : rot -55:sc= 0.0617 USER MOD Single : A1087 TYR OH : rot 180:sc= 0 USER MOD Single : A1088 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1093 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0511) USER MOD Single : A1095 ASN : amide:sc=-0.00985 X(o=-0.0099,f=0) USER MOD Single : A1097 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1099 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A1054 -5.500 0.046 20.907 1.00 11.20 N ATOM 2 CA SER A1054 -5.714 0.204 19.473 1.00 22.25 C ATOM 3 C SER A1054 -4.402 0.055 18.708 1.00 24.11 C ATOM 4 O SER A1054 -4.381 -0.428 17.578 1.00 21.42 O ATOM 5 CB SER A1054 -6.338 1.569 19.176 1.00 34.52 C ATOM 6 OG SER A1054 -7.203 1.973 20.223 1.00 63.32 O ATOM 0 HA SER A1054 -6.397 -0.579 19.145 1.00 22.25 H new ATOM 0 HB2 SER A1054 -5.551 2.311 19.044 1.00 34.52 H new ATOM 0 HB3 SER A1054 -6.893 1.523 18.239 1.00 34.52 H new ATOM 0 HG SER A1054 -7.041 1.418 21.014 1.00 63.32 H new ATOM 12 N ASN A1055 -3.308 0.475 19.336 1.00 52.13 N ATOM 13 CA ASN A1055 -1.990 0.390 18.716 1.00 53.32 C ATOM 14 C ASN A1055 -1.525 -1.060 18.624 1.00 3.15 C ATOM 15 O ASN A1055 -1.762 -1.856 19.533 1.00 73.22 O ATOM 16 CB ASN A1055 -0.976 1.215 19.510 1.00 32.01 C ATOM 17 CG ASN A1055 0.169 1.711 18.646 1.00 2.25 C ATOM 18 OD1 ASN A1055 1.307 1.268 18.791 1.00 71.43 O ATOM 19 ND2 ASN A1055 -0.131 2.636 17.742 1.00 53.40 N ATOM 0 H ASN A1055 -3.308 0.877 20.273 1.00 52.13 H new ATOM 0 HA ASN A1055 -2.064 0.793 17.706 1.00 53.32 H new ATOM 0 HB2 ASN A1055 -1.481 2.068 19.964 1.00 32.01 H new ATOM 0 HB3 ASN A1055 -0.578 0.610 20.324 1.00 32.01 H new ATOM 0 HD21 ASN A1055 0.597 3.008 17.132 1.00 53.40 H new ATOM 0 HD22 ASN A1055 -1.090 2.974 17.657 1.00 53.40 H new ATOM 26 N ALA A1056 -0.861 -1.395 17.524 1.00 54.35 N ATOM 27 CA ALA A1056 -0.359 -2.747 17.315 1.00 1.34 C ATOM 28 C ALA A1056 1.084 -2.728 16.822 1.00 2.14 C ATOM 29 O ALA A1056 1.669 -1.662 16.627 1.00 25.33 O ATOM 30 CB ALA A1056 -1.245 -3.493 16.329 1.00 15.51 C ATOM 0 H ALA A1056 -0.658 -0.748 16.762 1.00 54.35 H new ATOM 0 HA ALA A1056 -0.381 -3.267 18.273 1.00 1.34 H new ATOM 0 HB1 ALA A1056 -0.858 -4.501 16.183 1.00 15.51 H new ATOM 0 HB2 ALA A1056 -2.260 -3.548 16.721 1.00 15.51 H new ATOM 0 HB3 ALA A1056 -1.253 -2.965 15.375 1.00 15.51 H new ATOM 36 N ASP A1057 1.651 -3.912 16.623 1.00 43.02 N ATOM 37 CA ASP A1057 3.027 -4.031 16.153 1.00 50.11 C ATOM 38 C ASP A1057 3.103 -4.924 14.919 1.00 74.41 C ATOM 39 O ASP A1057 4.130 -5.551 14.655 1.00 25.24 O ATOM 40 CB ASP A1057 3.920 -4.593 17.260 1.00 21.23 C ATOM 41 CG ASP A1057 5.354 -4.117 17.144 1.00 72.42 C ATOM 42 OD1 ASP A1057 5.961 -4.314 16.070 1.00 33.15 O ATOM 43 OD2 ASP A1057 5.873 -3.547 18.128 1.00 11.31 O ATOM 0 H ASP A1057 1.180 -4.803 16.780 1.00 43.02 H new ATOM 0 HA ASP A1057 3.380 -3.036 15.882 1.00 50.11 H new ATOM 0 HB2 ASP A1057 3.520 -4.299 18.230 1.00 21.23 H new ATOM 0 HB3 ASP A1057 3.898 -5.682 17.223 1.00 21.23 H new ATOM 48 N VAL A1058 2.010 -4.978 14.164 1.00 1.21 N ATOM 49 CA VAL A1058 1.953 -5.793 12.957 1.00 72.50 C ATOM 50 C VAL A1058 0.999 -5.191 11.932 1.00 10.01 C ATOM 51 O VAL A1058 -0.178 -5.547 11.880 1.00 54.11 O ATOM 52 CB VAL A1058 1.507 -7.233 13.273 1.00 63.43 C ATOM 53 CG1 VAL A1058 2.702 -8.087 13.671 1.00 70.13 C ATOM 54 CG2 VAL A1058 0.452 -7.235 14.369 1.00 32.45 C ATOM 0 H VAL A1058 1.151 -4.466 14.368 1.00 1.21 H new ATOM 0 HA VAL A1058 2.961 -5.815 12.542 1.00 72.50 H new ATOM 0 HB VAL A1058 1.066 -7.664 12.374 1.00 63.43 H new ATOM 0 HG11 VAL A1058 2.368 -9.101 13.891 1.00 70.13 H new ATOM 0 HG12 VAL A1058 3.421 -8.111 12.852 1.00 70.13 H new ATOM 0 HG13 VAL A1058 3.175 -7.661 14.556 1.00 70.13 H new ATOM 0 HG21 VAL A1058 0.148 -8.260 14.580 1.00 32.45 H new ATOM 0 HG22 VAL A1058 0.865 -6.786 15.272 1.00 32.45 H new ATOM 0 HG23 VAL A1058 -0.414 -6.660 14.041 1.00 32.45 H new ATOM 64 N VAL A1059 1.515 -4.278 11.116 1.00 73.34 N ATOM 65 CA VAL A1059 0.710 -3.626 10.090 1.00 31.30 C ATOM 66 C VAL A1059 1.135 -4.070 8.695 1.00 33.44 C ATOM 67 O VAL A1059 0.304 -4.482 7.883 1.00 61.52 O ATOM 68 CB VAL A1059 0.815 -2.092 10.182 1.00 23.45 C ATOM 69 CG1 VAL A1059 -0.022 -1.433 9.099 1.00 74.14 C ATOM 70 CG2 VAL A1059 0.391 -1.613 11.563 1.00 54.12 C ATOM 0 H VAL A1059 2.488 -3.973 11.145 1.00 73.34 H new ATOM 0 HA VAL A1059 -0.324 -3.922 10.265 1.00 31.30 H new ATOM 0 HB VAL A1059 1.855 -1.805 10.026 1.00 23.45 H new ATOM 0 HG11 VAL A1059 0.065 -0.350 9.181 1.00 74.14 H new ATOM 0 HG12 VAL A1059 0.333 -1.753 8.119 1.00 74.14 H new ATOM 0 HG13 VAL A1059 -1.066 -1.723 9.219 1.00 74.14 H new ATOM 0 HG21 VAL A1059 0.471 -0.527 11.612 1.00 54.12 H new ATOM 0 HG22 VAL A1059 -0.641 -1.910 11.750 1.00 54.12 H new ATOM 0 HG23 VAL A1059 1.039 -2.059 12.318 1.00 54.12 H new ATOM 80 N TYR A1060 2.432 -3.984 8.421 1.00 10.01 N ATOM 81 CA TYR A1060 2.967 -4.375 7.123 1.00 73.54 C ATOM 82 C TYR A1060 3.605 -5.760 7.191 1.00 62.15 C ATOM 83 O TYR A1060 3.123 -6.708 6.572 1.00 24.11 O ATOM 84 CB TYR A1060 3.996 -3.351 6.643 1.00 53.42 C ATOM 85 CG TYR A1060 3.409 -1.984 6.375 1.00 42.44 C ATOM 86 CD1 TYR A1060 3.195 -1.082 7.411 1.00 72.50 C ATOM 87 CD2 TYR A1060 3.069 -1.591 5.085 1.00 23.24 C ATOM 88 CE1 TYR A1060 2.659 0.168 7.170 1.00 1.45 C ATOM 89 CE2 TYR A1060 2.533 -0.343 4.836 1.00 61.35 C ATOM 90 CZ TYR A1060 2.329 0.533 5.882 1.00 64.24 C ATOM 91 OH TYR A1060 1.796 1.778 5.639 1.00 13.20 O ATOM 0 H TYR A1060 3.132 -3.647 9.081 1.00 10.01 H new ATOM 0 HA TYR A1060 2.140 -4.410 6.413 1.00 73.54 H new ATOM 0 HB2 TYR A1060 4.782 -3.259 7.393 1.00 53.42 H new ATOM 0 HB3 TYR A1060 4.466 -3.720 5.732 1.00 53.42 H new ATOM 0 HD1 TYR A1060 3.452 -1.363 8.421 1.00 72.50 H new ATOM 0 HD2 TYR A1060 3.227 -2.274 4.263 1.00 23.24 H new ATOM 0 HE1 TYR A1060 2.499 0.856 7.987 1.00 1.45 H new ATOM 0 HE2 TYR A1060 2.275 -0.054 3.828 1.00 61.35 H new ATOM 0 HH TYR A1060 1.621 1.877 4.680 1.00 13.20 H new ATOM 101 N GLU A1061 4.692 -5.866 7.949 1.00 32.22 N ATOM 102 CA GLU A1061 5.397 -7.134 8.098 1.00 60.03 C ATOM 103 C GLU A1061 5.337 -7.623 9.542 1.00 51.13 C ATOM 104 O GLU A1061 4.529 -7.145 10.339 1.00 31.30 O ATOM 105 CB GLU A1061 6.855 -6.987 7.658 1.00 33.55 C ATOM 106 CG GLU A1061 7.397 -8.207 6.932 1.00 21.24 C ATOM 107 CD GLU A1061 8.304 -7.842 5.773 1.00 44.12 C ATOM 108 OE1 GLU A1061 7.781 -7.413 4.724 1.00 12.31 O ATOM 109 OE2 GLU A1061 9.537 -7.985 5.914 1.00 5.43 O ATOM 0 H GLU A1061 5.103 -5.090 8.469 1.00 32.22 H new ATOM 0 HA GLU A1061 4.906 -7.871 7.462 1.00 60.03 H new ATOM 0 HB2 GLU A1061 6.943 -6.118 7.006 1.00 33.55 H new ATOM 0 HB3 GLU A1061 7.473 -6.792 8.535 1.00 33.55 H new ATOM 0 HG2 GLU A1061 7.948 -8.830 7.637 1.00 21.24 H new ATOM 0 HG3 GLU A1061 6.564 -8.805 6.562 1.00 21.24 H new ATOM 116 N LYS A1062 6.198 -8.580 9.873 1.00 1.22 N ATOM 117 CA LYS A1062 6.245 -9.135 11.220 1.00 45.25 C ATOM 118 C LYS A1062 4.967 -9.905 11.537 1.00 73.32 C ATOM 119 O LYS A1062 4.712 -10.253 12.689 1.00 22.54 O ATOM 120 CB LYS A1062 6.448 -8.018 12.247 1.00 71.02 C ATOM 121 CG LYS A1062 7.336 -6.890 11.751 1.00 65.23 C ATOM 122 CD LYS A1062 8.257 -6.382 12.848 1.00 23.23 C ATOM 123 CE LYS A1062 9.194 -5.300 12.334 1.00 74.42 C ATOM 124 NZ LYS A1062 8.475 -4.023 12.070 1.00 73.03 N ATOM 0 H LYS A1062 6.873 -8.987 9.226 1.00 1.22 H new ATOM 0 HA LYS A1062 7.086 -9.826 11.272 1.00 45.25 H new ATOM 0 HB2 LYS A1062 5.476 -7.609 12.524 1.00 71.02 H new ATOM 0 HB3 LYS A1062 6.885 -8.442 13.151 1.00 71.02 H new ATOM 0 HG2 LYS A1062 7.931 -7.239 10.907 1.00 65.23 H new ATOM 0 HG3 LYS A1062 6.716 -6.071 11.387 1.00 65.23 H new ATOM 0 HD2 LYS A1062 7.661 -5.987 13.671 1.00 23.23 H new ATOM 0 HD3 LYS A1062 8.841 -7.211 13.247 1.00 23.23 H new ATOM 0 HE2 LYS A1062 9.985 -5.127 13.064 1.00 74.42 H new ATOM 0 HE3 LYS A1062 9.675 -5.642 11.418 1.00 74.42 H new ATOM 0 HZ1 LYS A1062 9.154 -3.301 11.754 1.00 73.03 H new ATOM 0 HZ2 LYS A1062 7.760 -4.174 11.330 1.00 73.03 H new ATOM 0 HZ3 LYS A1062 8.008 -3.701 12.942 1.00 73.03 H new ATOM 138 N GLN A1063 4.169 -10.167 10.507 1.00 64.11 N ATOM 139 CA GLN A1063 2.919 -10.896 10.677 1.00 14.13 C ATOM 140 C GLN A1063 3.177 -12.307 11.194 1.00 31.53 C ATOM 141 O GLN A1063 2.320 -12.910 11.841 1.00 55.55 O ATOM 142 CB GLN A1063 2.155 -10.958 9.352 1.00 60.25 C ATOM 143 CG GLN A1063 2.078 -9.621 8.632 1.00 23.52 C ATOM 144 CD GLN A1063 1.072 -9.627 7.499 1.00 73.13 C ATOM 145 OE1 GLN A1063 0.285 -10.563 7.356 1.00 75.41 O ATOM 146 NE2 GLN A1063 1.092 -8.578 6.684 1.00 15.41 N ATOM 0 H GLN A1063 4.366 -9.885 9.547 1.00 64.11 H new ATOM 0 HA GLN A1063 2.315 -10.364 11.412 1.00 14.13 H new ATOM 0 HB2 GLN A1063 2.636 -11.686 8.699 1.00 60.25 H new ATOM 0 HB3 GLN A1063 1.144 -11.318 9.541 1.00 60.25 H new ATOM 0 HG2 GLN A1063 1.810 -8.843 9.347 1.00 23.52 H new ATOM 0 HG3 GLN A1063 3.062 -9.367 8.238 1.00 23.52 H new ATOM 0 HE21 GLN A1063 1.761 -7.824 6.839 1.00 15.41 H new ATOM 0 HE22 GLN A1063 0.438 -8.526 5.903 1.00 15.41 H new ATOM 155 N MET A1064 4.364 -12.830 10.905 1.00 62.21 N ATOM 156 CA MET A1064 4.736 -14.171 11.342 1.00 13.52 C ATOM 157 C MET A1064 3.624 -15.170 11.037 1.00 71.31 C ATOM 158 O MET A1064 3.484 -16.186 11.720 1.00 55.31 O ATOM 159 CB MET A1064 5.044 -14.175 12.841 1.00 32.23 C ATOM 160 CG MET A1064 6.131 -13.190 13.240 1.00 20.22 C ATOM 161 SD MET A1064 7.678 -13.468 12.357 1.00 24.51 S ATOM 162 CE MET A1064 7.475 -12.362 10.962 1.00 22.34 C ATOM 0 H MET A1064 5.085 -12.346 10.370 1.00 62.21 H new ATOM 0 HA MET A1064 5.630 -14.470 10.794 1.00 13.52 H new ATOM 0 HB2 MET A1064 4.133 -13.941 13.392 1.00 32.23 H new ATOM 0 HB3 MET A1064 5.347 -15.179 13.139 1.00 32.23 H new ATOM 0 HG2 MET A1064 5.784 -12.175 13.047 1.00 20.22 H new ATOM 0 HG3 MET A1064 6.310 -13.267 14.312 1.00 20.22 H new ATOM 0 HE1 MET A1064 7.404 -12.944 10.043 1.00 22.34 H new ATOM 0 HE2 MET A1064 6.565 -11.776 11.091 1.00 22.34 H new ATOM 0 HE3 MET A1064 8.332 -11.692 10.901 1.00 22.34 H new ATOM 172 N LEU A1065 2.836 -14.875 10.009 1.00 14.30 N ATOM 173 CA LEU A1065 1.735 -15.748 9.614 1.00 60.01 C ATOM 174 C LEU A1065 2.255 -16.987 8.892 1.00 45.03 C ATOM 175 O LEU A1065 1.725 -18.085 9.061 1.00 43.31 O ATOM 176 CB LEU A1065 0.757 -14.992 8.713 1.00 42.14 C ATOM 177 CG LEU A1065 -0.229 -14.064 9.422 1.00 1.44 C ATOM 178 CD1 LEU A1065 -1.055 -13.287 8.409 1.00 73.20 C ATOM 179 CD2 LEU A1065 -1.133 -14.859 10.352 1.00 2.44 C ATOM 0 H LEU A1065 2.938 -14.039 9.434 1.00 14.30 H new ATOM 0 HA LEU A1065 1.215 -16.068 10.517 1.00 60.01 H new ATOM 0 HB2 LEU A1065 1.333 -14.401 8.001 1.00 42.14 H new ATOM 0 HB3 LEU A1065 0.188 -15.721 8.136 1.00 42.14 H new ATOM 0 HG LEU A1065 0.338 -13.351 10.020 1.00 1.44 H new ATOM 0 HD11 LEU A1065 -1.751 -12.632 8.933 1.00 73.20 H new ATOM 0 HD12 LEU A1065 -0.394 -12.688 7.783 1.00 73.20 H new ATOM 0 HD13 LEU A1065 -1.613 -13.984 7.784 1.00 73.20 H new ATOM 0 HD21 LEU A1065 -1.829 -14.183 10.849 1.00 2.44 H new ATOM 0 HD22 LEU A1065 -1.692 -15.595 9.774 1.00 2.44 H new ATOM 0 HD23 LEU A1065 -0.527 -15.370 11.100 1.00 2.44 H new ATOM 191 N TYR A1066 3.297 -16.804 8.089 1.00 64.31 N ATOM 192 CA TYR A1066 3.890 -17.907 7.342 1.00 4.14 C ATOM 193 C TYR A1066 4.222 -19.075 8.266 1.00 70.44 C ATOM 194 O TYR A1066 4.302 -20.224 7.830 1.00 51.32 O ATOM 195 CB TYR A1066 5.153 -17.439 6.617 1.00 24.40 C ATOM 196 CG TYR A1066 6.335 -17.229 7.536 1.00 42.45 C ATOM 197 CD1 TYR A1066 6.457 -16.067 8.290 1.00 73.31 C ATOM 198 CD2 TYR A1066 7.331 -18.192 7.652 1.00 3.42 C ATOM 199 CE1 TYR A1066 7.536 -15.870 9.129 1.00 10.21 C ATOM 200 CE2 TYR A1066 8.413 -18.004 8.491 1.00 11.52 C ATOM 201 CZ TYR A1066 8.511 -16.842 9.227 1.00 52.34 C ATOM 202 OH TYR A1066 9.586 -16.649 10.064 1.00 75.14 O ATOM 0 H TYR A1066 3.749 -15.902 7.939 1.00 64.31 H new ATOM 0 HA TYR A1066 3.162 -18.247 6.605 1.00 4.14 H new ATOM 0 HB2 TYR A1066 5.420 -18.174 5.858 1.00 24.40 H new ATOM 0 HB3 TYR A1066 4.938 -16.506 6.096 1.00 24.40 H new ATOM 0 HD1 TYR A1066 5.695 -15.305 8.218 1.00 73.31 H new ATOM 0 HD2 TYR A1066 7.258 -19.103 7.076 1.00 3.42 H new ATOM 0 HE1 TYR A1066 7.617 -14.960 9.705 1.00 10.21 H new ATOM 0 HE2 TYR A1066 9.177 -18.763 8.570 1.00 11.52 H new ATOM 0 HH TYR A1066 10.164 -17.440 10.042 1.00 75.14 H new ATOM 212 N LEU A1067 4.417 -18.771 9.545 1.00 14.24 N ATOM 213 CA LEU A1067 4.739 -19.795 10.533 1.00 63.23 C ATOM 214 C LEU A1067 3.489 -20.557 10.957 1.00 32.13 C ATOM 215 O LEU A1067 3.519 -21.778 11.118 1.00 12.23 O ATOM 216 CB LEU A1067 5.402 -19.159 11.757 1.00 50.51 C ATOM 217 CG LEU A1067 6.640 -18.306 11.482 1.00 61.24 C ATOM 218 CD1 LEU A1067 6.797 -17.233 12.548 1.00 45.30 C ATOM 219 CD2 LEU A1067 7.886 -19.179 11.414 1.00 42.42 C ATOM 0 H LEU A1067 4.358 -17.825 9.922 1.00 14.24 H new ATOM 0 HA LEU A1067 5.433 -20.500 10.075 1.00 63.23 H new ATOM 0 HB2 LEU A1067 4.663 -18.538 12.264 1.00 50.51 H new ATOM 0 HB3 LEU A1067 5.680 -19.954 12.449 1.00 50.51 H new ATOM 0 HG LEU A1067 6.512 -17.815 10.517 1.00 61.24 H new ATOM 0 HD11 LEU A1067 7.684 -16.636 12.335 1.00 45.30 H new ATOM 0 HD12 LEU A1067 5.917 -16.589 12.549 1.00 45.30 H new ATOM 0 HD13 LEU A1067 6.903 -17.704 13.525 1.00 45.30 H new ATOM 0 HD21 LEU A1067 8.758 -18.555 11.217 1.00 42.42 H new ATOM 0 HD22 LEU A1067 8.018 -19.699 12.363 1.00 42.42 H new ATOM 0 HD23 LEU A1067 7.775 -19.910 10.613 1.00 42.42 H new ATOM 231 N TYR A1068 2.391 -19.831 11.134 1.00 63.40 N ATOM 232 CA TYR A1068 1.130 -20.439 11.539 1.00 13.32 C ATOM 233 C TYR A1068 0.547 -21.289 10.413 1.00 71.52 C ATOM 234 O TYR A1068 -0.052 -22.336 10.656 1.00 21.43 O ATOM 235 CB TYR A1068 0.126 -19.360 11.948 1.00 40.14 C ATOM 236 CG TYR A1068 -1.045 -19.231 11.000 1.00 2.45 C ATOM 237 CD1 TYR A1068 -2.118 -20.111 11.068 1.00 53.40 C ATOM 238 CD2 TYR A1068 -1.079 -18.229 10.039 1.00 41.34 C ATOM 239 CE1 TYR A1068 -3.189 -19.997 10.204 1.00 15.43 C ATOM 240 CE2 TYR A1068 -2.148 -18.106 9.172 1.00 73.23 C ATOM 241 CZ TYR A1068 -3.201 -18.993 9.258 1.00 62.41 C ATOM 242 OH TYR A1068 -4.267 -18.876 8.397 1.00 15.20 O ATOM 0 H TYR A1068 2.349 -18.820 11.003 1.00 63.40 H new ATOM 0 HA TYR A1068 1.328 -21.086 12.394 1.00 13.32 H new ATOM 0 HB2 TYR A1068 -0.249 -19.584 12.947 1.00 40.14 H new ATOM 0 HB3 TYR A1068 0.641 -18.401 12.009 1.00 40.14 H new ATOM 0 HD1 TYR A1068 -2.114 -20.897 11.809 1.00 53.40 H new ATOM 0 HD2 TYR A1068 -0.256 -17.534 9.968 1.00 41.34 H new ATOM 0 HE1 TYR A1068 -4.014 -20.691 10.269 1.00 15.43 H new ATOM 0 HE2 TYR A1068 -2.159 -17.320 8.431 1.00 73.23 H new ATOM 0 HH TYR A1068 -4.119 -18.117 7.795 1.00 15.20 H new ATOM 252 N VAL A1069 0.731 -20.830 9.179 1.00 51.52 N ATOM 253 CA VAL A1069 0.226 -21.547 8.013 1.00 44.43 C ATOM 254 C VAL A1069 1.062 -22.790 7.730 1.00 31.21 C ATOM 255 O VAL A1069 0.543 -23.807 7.268 1.00 23.45 O ATOM 256 CB VAL A1069 0.220 -20.649 6.762 1.00 30.24 C ATOM 257 CG1 VAL A1069 1.641 -20.317 6.336 1.00 73.23 C ATOM 258 CG2 VAL A1069 -0.542 -21.320 5.629 1.00 10.23 C ATOM 0 H VAL A1069 1.226 -19.965 8.961 1.00 51.52 H new ATOM 0 HA VAL A1069 -0.797 -21.845 8.241 1.00 44.43 H new ATOM 0 HB VAL A1069 -0.287 -19.716 7.008 1.00 30.24 H new ATOM 0 HG11 VAL A1069 1.616 -19.682 5.451 1.00 73.23 H new ATOM 0 HG12 VAL A1069 2.150 -19.793 7.145 1.00 73.23 H new ATOM 0 HG13 VAL A1069 2.177 -21.238 6.107 1.00 73.23 H new ATOM 0 HG21 VAL A1069 -0.536 -20.672 4.753 1.00 10.23 H new ATOM 0 HG22 VAL A1069 -0.065 -22.269 5.382 1.00 10.23 H new ATOM 0 HG23 VAL A1069 -1.571 -21.501 5.940 1.00 10.23 H new ATOM 268 N LEU A1070 2.358 -22.702 8.009 1.00 10.30 N ATOM 269 CA LEU A1070 3.267 -23.820 7.784 1.00 3.42 C ATOM 270 C LEU A1070 3.080 -24.896 8.850 1.00 42.23 C ATOM 271 O LEU A1070 3.174 -26.089 8.565 1.00 13.51 O ATOM 272 CB LEU A1070 4.716 -23.332 7.783 1.00 21.12 C ATOM 273 CG LEU A1070 5.740 -24.274 7.149 1.00 75.32 C ATOM 274 CD1 LEU A1070 5.744 -24.118 5.636 1.00 20.14 C ATOM 275 CD2 LEU A1070 7.128 -24.013 7.717 1.00 32.31 C ATOM 0 H LEU A1070 2.803 -21.868 8.392 1.00 10.30 H new ATOM 0 HA LEU A1070 3.037 -24.255 6.811 1.00 3.42 H new ATOM 0 HB2 LEU A1070 4.757 -22.377 7.259 1.00 21.12 H new ATOM 0 HB3 LEU A1070 5.015 -23.143 8.814 1.00 21.12 H new ATOM 0 HG LEU A1070 5.458 -25.300 7.387 1.00 75.32 H new ATOM 0 HD11 LEU A1070 6.479 -24.796 5.202 1.00 20.14 H new ATOM 0 HD12 LEU A1070 4.755 -24.355 5.243 1.00 20.14 H new ATOM 0 HD13 LEU A1070 6.001 -23.091 5.377 1.00 20.14 H new ATOM 0 HD21 LEU A1070 7.844 -24.692 7.255 1.00 32.31 H new ATOM 0 HD22 LEU A1070 7.418 -22.983 7.509 1.00 32.31 H new ATOM 0 HD23 LEU A1070 7.117 -24.176 8.795 1.00 32.31 H new ATOM 287 N SER A1071 2.815 -24.464 10.079 1.00 31.31 N ATOM 288 CA SER A1071 2.617 -25.389 11.188 1.00 30.32 C ATOM 289 C SER A1071 1.279 -26.112 11.061 1.00 53.42 C ATOM 290 O SER A1071 1.128 -27.246 11.512 1.00 24.40 O ATOM 291 CB SER A1071 2.681 -24.641 12.521 1.00 24.34 C ATOM 292 OG SER A1071 1.402 -24.167 12.903 1.00 34.14 O ATOM 0 H SER A1071 2.733 -23.479 10.331 1.00 31.31 H new ATOM 0 HA SER A1071 3.415 -26.131 11.157 1.00 30.32 H new ATOM 0 HB2 SER A1071 3.073 -25.302 13.294 1.00 24.34 H new ATOM 0 HB3 SER A1071 3.373 -23.803 12.438 1.00 24.34 H new ATOM 0 HG SER A1071 1.025 -23.623 12.180 1.00 34.14 H new ATOM 298 N GLY A1072 0.310 -25.444 10.442 1.00 2.33 N ATOM 299 CA GLY A1072 -1.003 -26.037 10.267 1.00 54.31 C ATOM 300 C GLY A1072 -1.021 -27.095 9.181 1.00 21.54 C ATOM 301 O GLY A1072 -1.672 -28.130 9.325 1.00 3.22 O ATOM 0 H GLY A1072 0.411 -24.504 10.059 1.00 2.33 H new ATOM 0 HA2 GLY A1072 -1.326 -26.481 11.208 1.00 54.31 H new ATOM 0 HA3 GLY A1072 -1.721 -25.255 10.020 1.00 54.31 H new ATOM 305 N ILE A1073 -0.306 -26.835 8.092 1.00 72.50 N ATOM 306 CA ILE A1073 -0.243 -27.773 6.979 1.00 30.34 C ATOM 307 C ILE A1073 0.612 -28.987 7.329 1.00 41.45 C ATOM 308 O ILE A1073 0.374 -30.090 6.840 1.00 62.31 O ATOM 309 CB ILE A1073 0.326 -27.107 5.712 1.00 60.32 C ATOM 310 CG1 ILE A1073 1.783 -26.697 5.936 1.00 23.12 C ATOM 311 CG2 ILE A1073 -0.516 -25.901 5.325 1.00 22.13 C ATOM 312 CD1 ILE A1073 2.446 -26.124 4.703 1.00 53.21 C ATOM 0 H ILE A1073 0.238 -25.983 7.957 1.00 72.50 H new ATOM 0 HA ILE A1073 -1.265 -28.096 6.782 1.00 30.34 H new ATOM 0 HB ILE A1073 0.293 -27.827 4.894 1.00 60.32 H new ATOM 0 HG12 ILE A1073 1.825 -25.959 6.737 1.00 23.12 H new ATOM 0 HG13 ILE A1073 2.349 -27.566 6.272 1.00 23.12 H new ATOM 0 HG21 ILE A1073 -0.102 -25.441 4.428 1.00 22.13 H new ATOM 0 HG22 ILE A1073 -1.540 -26.220 5.130 1.00 22.13 H new ATOM 0 HG23 ILE A1073 -0.511 -25.177 6.140 1.00 22.13 H new ATOM 0 HD11 ILE A1073 3.476 -25.855 4.936 1.00 53.21 H new ATOM 0 HD12 ILE A1073 2.436 -26.867 3.906 1.00 53.21 H new ATOM 0 HD13 ILE A1073 1.904 -25.236 4.378 1.00 53.21 H new ATOM 324 N GLY A1074 1.610 -28.774 8.183 1.00 73.01 N ATOM 325 CA GLY A1074 2.484 -29.859 8.587 1.00 71.41 C ATOM 326 C GLY A1074 1.819 -30.808 9.564 1.00 42.14 C ATOM 327 O GLY A1074 2.065 -32.012 9.535 1.00 21.42 O ATOM 0 H GLY A1074 1.828 -27.870 8.601 1.00 73.01 H new ATOM 0 HA2 GLY A1074 2.800 -30.415 7.704 1.00 71.41 H new ATOM 0 HA3 GLY A1074 3.384 -29.446 9.042 1.00 71.41 H new ATOM 331 N GLY A1075 0.973 -30.262 10.432 1.00 25.44 N ATOM 332 CA GLY A1075 0.285 -31.083 11.412 1.00 53.22 C ATOM 333 C GLY A1075 -0.825 -31.911 10.796 1.00 2.24 C ATOM 334 O GLY A1075 -1.102 -33.025 11.245 1.00 41.42 O ATOM 0 H GLY A1075 0.752 -29.267 10.474 1.00 25.44 H new ATOM 0 HA2 GLY A1075 1.003 -31.745 11.895 1.00 53.22 H new ATOM 0 HA3 GLY A1075 -0.132 -30.443 12.190 1.00 53.22 H new ATOM 338 N LEU A1076 -1.465 -31.368 9.768 1.00 14.14 N ATOM 339 CA LEU A1076 -2.555 -32.064 9.089 1.00 65.13 C ATOM 340 C LEU A1076 -2.024 -33.232 8.265 1.00 52.02 C ATOM 341 O LEU A1076 -2.627 -34.306 8.229 1.00 12.30 O ATOM 342 CB LEU A1076 -3.322 -31.095 8.188 1.00 12.12 C ATOM 343 CG LEU A1076 -4.378 -30.230 8.877 1.00 22.33 C ATOM 344 CD1 LEU A1076 -4.498 -28.882 8.185 1.00 44.30 C ATOM 345 CD2 LEU A1076 -5.722 -30.944 8.896 1.00 0.44 C ATOM 0 H LEU A1076 -1.249 -30.448 9.385 1.00 14.14 H new ATOM 0 HA LEU A1076 -3.232 -32.457 9.848 1.00 65.13 H new ATOM 0 HB2 LEU A1076 -2.603 -30.436 7.702 1.00 12.12 H new ATOM 0 HB3 LEU A1076 -3.810 -31.671 7.401 1.00 12.12 H new ATOM 0 HG LEU A1076 -4.065 -30.059 9.907 1.00 22.33 H new ATOM 0 HD11 LEU A1076 -5.254 -28.280 8.689 1.00 44.30 H new ATOM 0 HD12 LEU A1076 -3.539 -28.366 8.224 1.00 44.30 H new ATOM 0 HD13 LEU A1076 -4.788 -29.031 7.145 1.00 44.30 H new ATOM 0 HD21 LEU A1076 -6.462 -30.314 9.390 1.00 0.44 H new ATOM 0 HD22 LEU A1076 -6.042 -31.145 7.874 1.00 0.44 H new ATOM 0 HD23 LEU A1076 -5.627 -31.885 9.438 1.00 0.44 H new ATOM 357 N LEU A1077 -0.890 -33.018 7.606 1.00 14.22 N ATOM 358 CA LEU A1077 -0.277 -34.054 6.782 1.00 2.14 C ATOM 359 C LEU A1077 0.223 -35.209 7.645 1.00 13.12 C ATOM 360 O LEU A1077 0.112 -36.376 7.264 1.00 1.43 O ATOM 361 CB LEU A1077 0.881 -33.469 5.972 1.00 24.32 C ATOM 362 CG LEU A1077 0.514 -32.862 4.618 1.00 3.42 C ATOM 363 CD1 LEU A1077 1.670 -32.040 4.070 1.00 14.21 C ATOM 364 CD2 LEU A1077 0.119 -33.954 3.633 1.00 51.42 C ATOM 0 H LEU A1077 -0.377 -32.137 7.626 1.00 14.22 H new ATOM 0 HA LEU A1077 -1.034 -34.437 6.098 1.00 2.14 H new ATOM 0 HB2 LEU A1077 1.366 -32.700 6.573 1.00 24.32 H new ATOM 0 HB3 LEU A1077 1.617 -34.256 5.807 1.00 24.32 H new ATOM 0 HG LEU A1077 -0.341 -32.200 4.758 1.00 3.42 H new ATOM 0 HD11 LEU A1077 1.390 -31.616 3.106 1.00 14.21 H new ATOM 0 HD12 LEU A1077 1.906 -31.235 4.766 1.00 14.21 H new ATOM 0 HD13 LEU A1077 2.544 -32.679 3.945 1.00 14.21 H new ATOM 0 HD21 LEU A1077 -0.139 -33.504 2.675 1.00 51.42 H new ATOM 0 HD22 LEU A1077 0.954 -34.641 3.498 1.00 51.42 H new ATOM 0 HD23 LEU A1077 -0.741 -34.500 4.021 1.00 51.42 H new ATOM 376 N LEU A1078 0.772 -34.878 8.808 1.00 31.41 N ATOM 377 CA LEU A1078 1.287 -35.888 9.726 1.00 32.04 C ATOM 378 C LEU A1078 0.146 -36.646 10.397 1.00 14.13 C ATOM 379 O LEU A1078 0.306 -37.798 10.805 1.00 74.23 O ATOM 380 CB LEU A1078 2.174 -35.236 10.788 1.00 54.03 C ATOM 381 CG LEU A1078 3.678 -35.264 10.515 1.00 60.44 C ATOM 382 CD1 LEU A1078 3.981 -34.704 9.134 1.00 53.13 C ATOM 383 CD2 LEU A1078 4.429 -34.484 11.584 1.00 44.10 C ATOM 0 H LEU A1078 0.872 -33.918 9.138 1.00 31.41 H new ATOM 0 HA LEU A1078 1.882 -36.597 9.150 1.00 32.04 H new ATOM 0 HB2 LEU A1078 1.865 -34.197 10.903 1.00 54.03 H new ATOM 0 HB3 LEU A1078 1.989 -35.731 11.741 1.00 54.03 H new ATOM 0 HG LEU A1078 4.013 -36.301 10.546 1.00 60.44 H new ATOM 0 HD11 LEU A1078 5.056 -34.732 8.958 1.00 53.13 H new ATOM 0 HD12 LEU A1078 3.474 -35.304 8.379 1.00 53.13 H new ATOM 0 HD13 LEU A1078 3.630 -33.674 9.074 1.00 53.13 H new ATOM 0 HD21 LEU A1078 5.498 -34.515 11.373 1.00 44.10 H new ATOM 0 HD22 LEU A1078 4.089 -33.448 11.585 1.00 44.10 H new ATOM 0 HD23 LEU A1078 4.239 -34.929 12.561 1.00 44.10 H new ATOM 395 N LEU A1079 -1.007 -35.996 10.506 1.00 43.55 N ATOM 396 CA LEU A1079 -2.176 -36.608 11.125 1.00 21.15 C ATOM 397 C LEU A1079 -2.819 -37.626 10.187 1.00 44.02 C ATOM 398 O LEU A1079 -3.300 -38.672 10.623 1.00 2.45 O ATOM 399 CB LEU A1079 -3.198 -35.536 11.508 1.00 24.41 C ATOM 400 CG LEU A1079 -4.182 -35.911 12.616 1.00 3.13 C ATOM 401 CD1 LEU A1079 -4.698 -34.664 13.317 1.00 14.21 C ATOM 402 CD2 LEU A1079 -5.338 -36.724 12.050 1.00 63.33 C ATOM 0 H LEU A1079 -1.157 -35.044 10.173 1.00 43.55 H new ATOM 0 HA LEU A1079 -1.848 -37.126 12.026 1.00 21.15 H new ATOM 0 HB2 LEU A1079 -2.657 -34.641 11.817 1.00 24.41 H new ATOM 0 HB3 LEU A1079 -3.768 -35.272 10.617 1.00 24.41 H new ATOM 0 HG LEU A1079 -3.657 -36.524 13.349 1.00 3.13 H new ATOM 0 HD11 LEU A1079 -5.397 -34.951 14.102 1.00 14.21 H new ATOM 0 HD12 LEU A1079 -3.861 -34.121 13.757 1.00 14.21 H new ATOM 0 HD13 LEU A1079 -5.206 -34.025 12.595 1.00 14.21 H new ATOM 0 HD21 LEU A1079 -6.029 -36.982 12.853 1.00 63.33 H new ATOM 0 HD22 LEU A1079 -5.861 -36.136 11.296 1.00 63.33 H new ATOM 0 HD23 LEU A1079 -4.953 -37.637 11.595 1.00 63.33 H new ATOM 414 N LEU A1080 -2.821 -37.313 8.896 1.00 11.13 N ATOM 415 CA LEU A1080 -3.402 -38.200 7.895 1.00 73.11 C ATOM 416 C LEU A1080 -2.494 -39.398 7.635 1.00 5.14 C ATOM 417 O LEU A1080 -2.968 -40.508 7.387 1.00 62.43 O ATOM 418 CB LEU A1080 -3.645 -37.440 6.590 1.00 11.42 C ATOM 419 CG LEU A1080 -5.027 -36.803 6.432 1.00 72.43 C ATOM 420 CD1 LEU A1080 -6.114 -37.864 6.499 1.00 41.24 C ATOM 421 CD2 LEU A1080 -5.250 -35.740 7.498 1.00 23.52 C ATOM 0 H LEU A1080 -2.427 -36.452 8.518 1.00 11.13 H new ATOM 0 HA LEU A1080 -4.354 -38.565 8.280 1.00 73.11 H new ATOM 0 HB2 LEU A1080 -2.893 -36.655 6.504 1.00 11.42 H new ATOM 0 HB3 LEU A1080 -3.486 -38.126 5.758 1.00 11.42 H new ATOM 0 HG LEU A1080 -5.075 -36.324 5.454 1.00 72.43 H new ATOM 0 HD11 LEU A1080 -7.090 -37.393 6.385 1.00 41.24 H new ATOM 0 HD12 LEU A1080 -5.965 -38.589 5.698 1.00 41.24 H new ATOM 0 HD13 LEU A1080 -6.067 -38.373 7.462 1.00 41.24 H new ATOM 0 HD21 LEU A1080 -6.238 -35.298 7.370 1.00 23.52 H new ATOM 0 HD22 LEU A1080 -5.182 -36.195 8.486 1.00 23.52 H new ATOM 0 HD23 LEU A1080 -4.490 -34.964 7.403 1.00 23.52 H new ATOM 433 N LEU A1081 -1.187 -39.167 7.698 1.00 3.33 N ATOM 434 CA LEU A1081 -0.211 -40.228 7.474 1.00 15.12 C ATOM 435 C LEU A1081 -0.082 -41.119 8.705 1.00 71.22 C ATOM 436 O LEU A1081 0.138 -42.325 8.590 1.00 72.21 O ATOM 437 CB LEU A1081 1.150 -39.628 7.117 1.00 20.33 C ATOM 438 CG LEU A1081 2.179 -39.583 8.247 1.00 45.43 C ATOM 439 CD1 LEU A1081 2.869 -40.929 8.398 1.00 21.54 C ATOM 440 CD2 LEU A1081 3.201 -38.483 7.994 1.00 31.44 C ATOM 0 H LEU A1081 -0.779 -38.255 7.902 1.00 3.33 H new ATOM 0 HA LEU A1081 -0.560 -40.840 6.642 1.00 15.12 H new ATOM 0 HB2 LEU A1081 1.572 -40.200 6.291 1.00 20.33 H new ATOM 0 HB3 LEU A1081 0.993 -38.612 6.754 1.00 20.33 H new ATOM 0 HG LEU A1081 1.657 -39.361 9.178 1.00 45.43 H new ATOM 0 HD11 LEU A1081 3.597 -40.876 9.207 1.00 21.54 H new ATOM 0 HD12 LEU A1081 2.127 -41.694 8.627 1.00 21.54 H new ATOM 0 HD13 LEU A1081 3.378 -41.183 7.468 1.00 21.54 H new ATOM 0 HD21 LEU A1081 3.926 -38.465 8.808 1.00 31.44 H new ATOM 0 HD22 LEU A1081 3.717 -38.675 7.053 1.00 31.44 H new ATOM 0 HD23 LEU A1081 2.693 -37.520 7.939 1.00 31.44 H new ATOM 452 N ILE A1082 -0.220 -40.517 9.881 1.00 0.22 N ATOM 453 CA ILE A1082 -0.122 -41.256 11.133 1.00 22.21 C ATOM 454 C ILE A1082 -1.339 -42.150 11.340 1.00 5.23 C ATOM 455 O ILE A1082 -1.237 -43.233 11.919 1.00 74.31 O ATOM 456 CB ILE A1082 0.016 -40.307 12.338 1.00 0.41 C ATOM 457 CG1 ILE A1082 1.461 -39.825 12.473 1.00 72.41 C ATOM 458 CG2 ILE A1082 -0.437 -41.002 13.614 1.00 0.31 C ATOM 459 CD1 ILE A1082 1.601 -38.549 13.273 1.00 53.44 C ATOM 0 H ILE A1082 -0.400 -39.519 9.993 1.00 0.22 H new ATOM 0 HA ILE A1082 0.773 -41.875 11.065 1.00 22.21 H new ATOM 0 HB ILE A1082 -0.623 -39.439 12.173 1.00 0.41 H new ATOM 0 HG12 ILE A1082 2.054 -40.608 12.946 1.00 72.41 H new ATOM 0 HG13 ILE A1082 1.877 -39.668 11.478 1.00 72.41 H new ATOM 0 HG21 ILE A1082 -0.334 -40.319 14.457 1.00 0.31 H new ATOM 0 HG22 ILE A1082 -1.481 -41.301 13.515 1.00 0.31 H new ATOM 0 HG23 ILE A1082 0.178 -41.885 13.785 1.00 0.31 H new ATOM 0 HD11 ILE A1082 2.653 -38.267 13.327 1.00 53.44 H new ATOM 0 HD12 ILE A1082 1.036 -37.752 12.789 1.00 53.44 H new ATOM 0 HD13 ILE A1082 1.215 -38.707 14.280 1.00 53.44 H new ATOM 471 N PHE A1083 -2.491 -41.691 10.864 1.00 14.15 N ATOM 472 CA PHE A1083 -3.731 -42.450 10.997 1.00 72.43 C ATOM 473 C PHE A1083 -3.753 -43.628 10.026 1.00 3.20 C ATOM 474 O PHE A1083 -4.226 -44.713 10.362 1.00 1.45 O ATOM 475 CB PHE A1083 -4.938 -41.544 10.745 1.00 64.03 C ATOM 476 CG PHE A1083 -6.095 -41.820 11.663 1.00 53.12 C ATOM 477 CD1 PHE A1083 -5.917 -41.841 13.036 1.00 4.32 C ATOM 478 CD2 PHE A1083 -7.360 -42.057 11.151 1.00 73.43 C ATOM 479 CE1 PHE A1083 -6.980 -42.094 13.883 1.00 2.12 C ATOM 480 CE2 PHE A1083 -8.427 -42.309 11.992 1.00 25.35 C ATOM 481 CZ PHE A1083 -8.236 -42.329 13.360 1.00 72.31 C ATOM 0 H PHE A1083 -2.593 -40.798 10.383 1.00 14.15 H new ATOM 0 HA PHE A1083 -3.784 -42.838 12.014 1.00 72.43 H new ATOM 0 HB2 PHE A1083 -4.632 -40.504 10.861 1.00 64.03 H new ATOM 0 HB3 PHE A1083 -5.266 -41.667 9.713 1.00 64.03 H new ATOM 0 HD1 PHE A1083 -4.937 -41.658 13.450 1.00 4.32 H new ATOM 0 HD2 PHE A1083 -7.514 -42.045 10.082 1.00 73.43 H new ATOM 0 HE1 PHE A1083 -6.828 -42.108 14.952 1.00 2.12 H new ATOM 0 HE2 PHE A1083 -9.409 -42.490 11.580 1.00 25.35 H new ATOM 0 HZ PHE A1083 -9.068 -42.528 14.019 1.00 72.31 H new ATOM 491 N ILE A1084 -3.239 -43.404 8.821 1.00 2.43 N ATOM 492 CA ILE A1084 -3.200 -44.445 7.803 1.00 54.31 C ATOM 493 C ILE A1084 -2.086 -45.447 8.084 1.00 71.52 C ATOM 494 O ILE A1084 -2.219 -46.638 7.796 1.00 50.43 O ATOM 495 CB ILE A1084 -2.998 -43.850 6.396 1.00 43.00 C ATOM 496 CG1 ILE A1084 -4.203 -42.993 6.004 1.00 15.22 C ATOM 497 CG2 ILE A1084 -2.775 -44.959 5.379 1.00 25.32 C ATOM 498 CD1 ILE A1084 -4.064 -42.342 4.645 1.00 5.23 C ATOM 0 H ILE A1084 -2.844 -42.511 8.527 1.00 2.43 H new ATOM 0 HA ILE A1084 -4.162 -44.956 7.837 1.00 54.31 H new ATOM 0 HB ILE A1084 -2.113 -43.214 6.409 1.00 43.00 H new ATOM 0 HG12 ILE A1084 -5.098 -43.615 6.010 1.00 15.22 H new ATOM 0 HG13 ILE A1084 -4.348 -42.218 6.756 1.00 15.22 H new ATOM 0 HG21 ILE A1084 -2.634 -44.523 4.390 1.00 25.32 H new ATOM 0 HG22 ILE A1084 -1.889 -45.531 5.653 1.00 25.32 H new ATOM 0 HG23 ILE A1084 -3.642 -45.619 5.364 1.00 25.32 H new ATOM 0 HD11 ILE A1084 -4.954 -41.750 4.432 1.00 5.23 H new ATOM 0 HD12 ILE A1084 -3.188 -41.694 4.640 1.00 5.23 H new ATOM 0 HD13 ILE A1084 -3.950 -43.112 3.882 1.00 5.23 H new ATOM 510 N VAL A1085 -0.987 -44.959 8.649 1.00 5.42 N ATOM 511 CA VAL A1085 0.150 -45.812 8.973 1.00 74.12 C ATOM 512 C VAL A1085 -0.165 -46.724 10.153 1.00 62.44 C ATOM 513 O VAL A1085 0.356 -47.836 10.249 1.00 53.30 O ATOM 514 CB VAL A1085 1.402 -44.977 9.302 1.00 20.30 C ATOM 515 CG1 VAL A1085 2.416 -45.814 10.068 1.00 23.01 C ATOM 516 CG2 VAL A1085 2.017 -44.414 8.029 1.00 32.43 C ATOM 0 H VAL A1085 -0.860 -43.977 8.892 1.00 5.42 H new ATOM 0 HA VAL A1085 0.350 -46.421 8.091 1.00 74.12 H new ATOM 0 HB VAL A1085 1.104 -44.141 9.935 1.00 20.30 H new ATOM 0 HG11 VAL A1085 3.294 -45.208 10.292 1.00 23.01 H new ATOM 0 HG12 VAL A1085 1.970 -46.164 10.999 1.00 23.01 H new ATOM 0 HG13 VAL A1085 2.712 -46.671 9.463 1.00 23.01 H new ATOM 0 HG21 VAL A1085 2.900 -43.827 8.280 1.00 32.43 H new ATOM 0 HG22 VAL A1085 2.302 -45.234 7.369 1.00 32.43 H new ATOM 0 HG23 VAL A1085 1.290 -43.778 7.524 1.00 32.43 H new ATOM 526 N LEU A1086 -1.019 -46.245 11.051 1.00 31.02 N ATOM 527 CA LEU A1086 -1.404 -47.018 12.227 1.00 32.22 C ATOM 528 C LEU A1086 -2.524 -47.999 11.891 1.00 61.24 C ATOM 529 O LEU A1086 -2.637 -49.060 12.505 1.00 13.03 O ATOM 530 CB LEU A1086 -1.852 -46.083 13.351 1.00 45.42 C ATOM 531 CG LEU A1086 -0.739 -45.321 14.074 1.00 35.42 C ATOM 532 CD1 LEU A1086 -1.320 -44.430 15.160 1.00 21.14 C ATOM 533 CD2 LEU A1086 0.274 -46.292 14.663 1.00 25.01 C ATOM 0 H LEU A1086 -1.458 -45.326 10.988 1.00 31.02 H new ATOM 0 HA LEU A1086 -0.535 -47.586 12.559 1.00 32.22 H new ATOM 0 HB2 LEU A1086 -2.551 -45.357 12.936 1.00 45.42 H new ATOM 0 HB3 LEU A1086 -2.401 -46.670 14.087 1.00 45.42 H new ATOM 0 HG LEU A1086 -0.228 -44.687 13.349 1.00 35.42 H new ATOM 0 HD11 LEU A1086 -0.514 -43.896 15.663 1.00 21.14 H new ATOM 0 HD12 LEU A1086 -2.007 -43.712 14.712 1.00 21.14 H new ATOM 0 HD13 LEU A1086 -1.857 -45.042 15.884 1.00 21.14 H new ATOM 0 HD21 LEU A1086 1.059 -45.734 15.174 1.00 25.01 H new ATOM 0 HD22 LEU A1086 -0.224 -46.951 15.374 1.00 25.01 H new ATOM 0 HD23 LEU A1086 0.714 -46.888 13.864 1.00 25.01 H new ATOM 545 N TYR A1087 -3.345 -47.638 10.912 1.00 30.22 N ATOM 546 CA TYR A1087 -4.456 -48.486 10.494 1.00 24.12 C ATOM 547 C TYR A1087 -3.984 -49.557 9.516 1.00 10.15 C ATOM 548 O TYR A1087 -4.652 -50.572 9.319 1.00 30.21 O ATOM 549 CB TYR A1087 -5.557 -47.641 9.853 1.00 33.21 C ATOM 550 CG TYR A1087 -6.070 -48.206 8.547 1.00 71.50 C ATOM 551 CD1 TYR A1087 -5.443 -47.903 7.343 1.00 20.25 C ATOM 552 CD2 TYR A1087 -7.180 -49.041 8.516 1.00 44.41 C ATOM 553 CE1 TYR A1087 -5.908 -48.417 6.148 1.00 13.32 C ATOM 554 CE2 TYR A1087 -7.651 -49.559 7.326 1.00 71.41 C ATOM 555 CZ TYR A1087 -7.012 -49.244 6.144 1.00 40.02 C ATOM 556 OH TYR A1087 -7.479 -49.758 4.956 1.00 14.52 O ATOM 0 H TYR A1087 -3.263 -46.764 10.393 1.00 30.22 H new ATOM 0 HA TYR A1087 -4.857 -48.980 11.379 1.00 24.12 H new ATOM 0 HB2 TYR A1087 -6.388 -47.551 10.552 1.00 33.21 H new ATOM 0 HB3 TYR A1087 -5.177 -46.634 9.679 1.00 33.21 H new ATOM 0 HD1 TYR A1087 -4.579 -47.255 7.342 1.00 20.25 H new ATOM 0 HD2 TYR A1087 -7.683 -49.289 9.439 1.00 44.41 H new ATOM 0 HE1 TYR A1087 -5.410 -48.173 5.222 1.00 13.32 H new ATOM 0 HE2 TYR A1087 -8.515 -50.207 7.320 1.00 71.41 H new ATOM 0 HH TYR A1087 -8.262 -50.322 5.129 1.00 14.52 H new ATOM 566 N LYS A1088 -2.829 -49.323 8.905 1.00 63.53 N ATOM 567 CA LYS A1088 -2.264 -50.267 7.948 1.00 73.34 C ATOM 568 C LYS A1088 -1.383 -51.295 8.651 1.00 75.52 C ATOM 569 O LYS A1088 -1.393 -52.476 8.305 1.00 33.30 O ATOM 570 CB LYS A1088 -1.449 -49.523 6.887 1.00 54.12 C ATOM 571 CG LYS A1088 -2.294 -48.958 5.756 1.00 4.13 C ATOM 572 CD LYS A1088 -1.429 -48.443 4.619 1.00 75.12 C ATOM 573 CE LYS A1088 -0.836 -49.586 3.808 1.00 14.34 C ATOM 574 NZ LYS A1088 -1.740 -50.009 2.703 1.00 14.03 N ATOM 0 H LYS A1088 -2.265 -48.487 9.055 1.00 63.53 H new ATOM 0 HA LYS A1088 -3.088 -50.791 7.464 1.00 73.34 H new ATOM 0 HB2 LYS A1088 -0.904 -48.708 7.364 1.00 54.12 H new ATOM 0 HB3 LYS A1088 -0.706 -50.202 6.470 1.00 54.12 H new ATOM 0 HG2 LYS A1088 -2.966 -49.730 5.382 1.00 4.13 H new ATOM 0 HG3 LYS A1088 -2.918 -48.149 6.136 1.00 4.13 H new ATOM 0 HD2 LYS A1088 -2.025 -47.804 3.967 1.00 75.12 H new ATOM 0 HD3 LYS A1088 -0.626 -47.826 5.022 1.00 75.12 H new ATOM 0 HE2 LYS A1088 0.124 -49.278 3.394 1.00 14.34 H new ATOM 0 HE3 LYS A1088 -0.643 -50.435 4.464 1.00 14.34 H new ATOM 0 HZ1 LYS A1088 -1.300 -50.789 2.174 1.00 14.03 H new ATOM 0 HZ2 LYS A1088 -2.647 -50.327 3.099 1.00 14.03 H new ATOM 0 HZ3 LYS A1088 -1.905 -49.206 2.063 1.00 14.03 H new ATOM 588 N VAL A1089 -0.622 -50.838 9.641 1.00 34.01 N ATOM 589 CA VAL A1089 0.262 -51.718 10.394 1.00 0.22 C ATOM 590 C VAL A1089 -0.535 -52.706 11.238 1.00 24.13 C ATOM 591 O VAL A1089 -0.104 -53.837 11.461 1.00 14.24 O ATOM 592 CB VAL A1089 1.202 -50.916 11.314 1.00 12.24 C ATOM 593 CG1 VAL A1089 2.173 -50.084 10.491 1.00 71.42 C ATOM 594 CG2 VAL A1089 0.398 -50.034 12.257 1.00 64.13 C ATOM 0 H VAL A1089 -0.601 -49.863 9.940 1.00 34.01 H new ATOM 0 HA VAL A1089 0.859 -52.266 9.665 1.00 0.22 H new ATOM 0 HB VAL A1089 1.781 -51.618 11.914 1.00 12.24 H new ATOM 0 HG11 VAL A1089 2.829 -49.524 11.158 1.00 71.42 H new ATOM 0 HG12 VAL A1089 2.772 -50.741 9.861 1.00 71.42 H new ATOM 0 HG13 VAL A1089 1.615 -49.389 9.863 1.00 71.42 H new ATOM 0 HG21 VAL A1089 1.078 -49.474 12.900 1.00 64.13 H new ATOM 0 HG22 VAL A1089 -0.208 -49.338 11.677 1.00 64.13 H new ATOM 0 HG23 VAL A1089 -0.253 -50.656 12.871 1.00 64.13 H new ATOM 604 N GLY A1090 -1.701 -52.271 11.706 1.00 12.20 N ATOM 605 CA GLY A1090 -2.541 -53.130 12.520 1.00 2.15 C ATOM 606 C GLY A1090 -2.891 -52.503 13.855 1.00 60.04 C ATOM 607 O GLY A1090 -3.699 -53.042 14.610 1.00 24.14 O ATOM 0 H GLY A1090 -2.079 -51.339 11.536 1.00 12.20 H new ATOM 0 HA2 GLY A1090 -3.459 -53.356 11.977 1.00 2.15 H new ATOM 0 HA3 GLY A1090 -2.030 -54.077 12.690 1.00 2.15 H new ATOM 611 N PHE A1091 -2.279 -51.359 14.149 1.00 34.51 N ATOM 612 CA PHE A1091 -2.528 -50.659 15.403 1.00 72.21 C ATOM 613 C PHE A1091 -4.024 -50.461 15.627 1.00 3.30 C ATOM 614 O PHE A1091 -4.567 -50.861 16.657 1.00 23.14 O ATOM 615 CB PHE A1091 -1.817 -49.305 15.405 1.00 64.54 C ATOM 616 CG PHE A1091 -1.528 -48.781 16.783 1.00 70.22 C ATOM 617 CD1 PHE A1091 -2.527 -48.187 17.536 1.00 22.44 C ATOM 618 CD2 PHE A1091 -0.256 -48.883 17.325 1.00 12.21 C ATOM 619 CE1 PHE A1091 -2.265 -47.705 18.805 1.00 73.35 C ATOM 620 CE2 PHE A1091 0.012 -48.403 18.593 1.00 31.43 C ATOM 621 CZ PHE A1091 -0.994 -47.812 19.333 1.00 60.22 C ATOM 0 H PHE A1091 -1.607 -50.898 13.535 1.00 34.51 H new ATOM 0 HA PHE A1091 -2.134 -51.269 16.216 1.00 72.21 H new ATOM 0 HB2 PHE A1091 -0.880 -49.395 14.855 1.00 64.54 H new ATOM 0 HB3 PHE A1091 -2.432 -48.580 14.871 1.00 64.54 H new ATOM 0 HD1 PHE A1091 -3.523 -48.099 17.127 1.00 22.44 H new ATOM 0 HD2 PHE A1091 0.534 -49.343 16.750 1.00 12.21 H new ATOM 0 HE1 PHE A1091 -3.054 -47.245 19.382 1.00 73.35 H new ATOM 0 HE2 PHE A1091 1.007 -48.490 19.005 1.00 31.43 H new ATOM 0 HZ PHE A1091 -0.786 -47.434 20.323 1.00 60.22 H new ATOM 631 N PHE A1092 -4.684 -49.840 14.656 1.00 51.52 N ATOM 632 CA PHE A1092 -6.118 -49.586 14.747 1.00 24.15 C ATOM 633 C PHE A1092 -6.916 -50.798 14.274 1.00 43.43 C ATOM 634 O PHE A1092 -8.145 -50.760 14.211 1.00 51.02 O ATOM 635 CB PHE A1092 -6.494 -48.357 13.917 1.00 20.31 C ATOM 636 CG PHE A1092 -6.265 -47.057 14.633 1.00 70.44 C ATOM 637 CD1 PHE A1092 -4.994 -46.698 15.054 1.00 53.43 C ATOM 638 CD2 PHE A1092 -7.319 -46.194 14.885 1.00 70.00 C ATOM 639 CE1 PHE A1092 -4.781 -45.502 15.714 1.00 42.10 C ATOM 640 CE2 PHE A1092 -7.112 -44.997 15.544 1.00 35.34 C ATOM 641 CZ PHE A1092 -5.841 -44.649 15.958 1.00 34.25 C ATOM 0 H PHE A1092 -4.250 -49.503 13.797 1.00 51.52 H new ATOM 0 HA PHE A1092 -6.363 -49.398 15.792 1.00 24.15 H new ATOM 0 HB2 PHE A1092 -5.915 -48.361 12.994 1.00 20.31 H new ATOM 0 HB3 PHE A1092 -7.544 -48.427 13.634 1.00 20.31 H new ATOM 0 HD1 PHE A1092 -4.162 -47.359 14.864 1.00 53.43 H new ATOM 0 HD2 PHE A1092 -8.315 -46.460 14.562 1.00 70.00 H new ATOM 0 HE1 PHE A1092 -3.786 -45.234 16.039 1.00 42.10 H new ATOM 0 HE2 PHE A1092 -7.943 -44.334 15.735 1.00 35.34 H new ATOM 0 HZ PHE A1092 -5.676 -43.713 16.471 1.00 34.25 H new ATOM 651 N LYS A1093 -6.208 -51.871 13.941 1.00 34.21 N ATOM 652 CA LYS A1093 -6.848 -53.095 13.473 1.00 62.41 C ATOM 653 C LYS A1093 -7.128 -54.041 14.636 1.00 65.34 C ATOM 654 O LYS A1093 -7.536 -55.185 14.433 1.00 3.54 O ATOM 655 CB LYS A1093 -5.964 -53.792 12.435 1.00 23.13 C ATOM 656 CG LYS A1093 -6.742 -54.651 11.453 1.00 21.52 C ATOM 657 CD LYS A1093 -6.556 -54.169 10.024 1.00 31.42 C ATOM 658 CE LYS A1093 -7.019 -55.214 9.020 1.00 11.11 C ATOM 659 NZ LYS A1093 -6.050 -56.337 8.901 1.00 30.24 N ATOM 0 H LYS A1093 -5.190 -51.918 13.986 1.00 34.21 H new ATOM 0 HA LYS A1093 -7.798 -52.826 13.010 1.00 62.41 H new ATOM 0 HB2 LYS A1093 -5.404 -53.038 11.881 1.00 23.13 H new ATOM 0 HB3 LYS A1093 -5.234 -54.415 12.951 1.00 23.13 H new ATOM 0 HG2 LYS A1093 -6.414 -55.687 11.534 1.00 21.52 H new ATOM 0 HG3 LYS A1093 -7.801 -54.631 11.710 1.00 21.52 H new ATOM 0 HD2 LYS A1093 -7.116 -53.246 9.874 1.00 31.42 H new ATOM 0 HD3 LYS A1093 -5.505 -53.937 9.851 1.00 31.42 H new ATOM 0 HE2 LYS A1093 -7.991 -55.604 9.324 1.00 11.11 H new ATOM 0 HE3 LYS A1093 -7.154 -54.746 8.045 1.00 11.11 H new ATOM 0 HZ1 LYS A1093 -6.322 -56.947 8.104 1.00 30.24 H new ATOM 0 HZ2 LYS A1093 -5.096 -55.957 8.737 1.00 30.24 H new ATOM 0 HZ3 LYS A1093 -6.054 -56.893 9.780 1.00 30.24 H new ATOM 673 N ARG A1094 -6.906 -53.556 15.853 1.00 22.23 N ATOM 674 CA ARG A1094 -7.136 -54.359 17.048 1.00 23.23 C ATOM 675 C ARG A1094 -8.629 -54.496 17.334 1.00 44.25 C ATOM 676 O ARG A1094 -9.105 -55.570 17.696 1.00 14.44 O ATOM 677 CB ARG A1094 -6.430 -53.733 18.253 1.00 74.00 C ATOM 678 CG ARG A1094 -5.033 -54.281 18.493 1.00 3.13 C ATOM 679 CD ARG A1094 -4.157 -54.132 17.259 1.00 23.13 C ATOM 680 NE ARG A1094 -2.791 -54.590 17.499 1.00 25.15 N ATOM 681 CZ ARG A1094 -1.904 -53.911 18.220 1.00 35.14 C ATOM 682 NH1 ARG A1094 -2.239 -52.752 18.767 1.00 51.22 N ATOM 683 NH2 ARG A1094 -0.681 -54.394 18.394 1.00 73.31 N ATOM 0 H ARG A1094 -6.567 -52.612 16.038 1.00 22.23 H new ATOM 0 HA ARG A1094 -6.726 -55.353 16.871 1.00 23.23 H new ATOM 0 HB2 ARG A1094 -6.368 -52.655 18.107 1.00 74.00 H new ATOM 0 HB3 ARG A1094 -7.035 -53.900 19.145 1.00 74.00 H new ATOM 0 HG2 ARG A1094 -4.574 -53.757 19.332 1.00 3.13 H new ATOM 0 HG3 ARG A1094 -5.096 -55.333 18.771 1.00 3.13 H new ATOM 0 HD2 ARG A1094 -4.590 -54.700 16.436 1.00 23.13 H new ATOM 0 HD3 ARG A1094 -4.140 -53.087 16.951 1.00 23.13 H new ATOM 0 HE ARG A1094 -2.502 -55.479 17.091 1.00 25.15 H new ATOM 0 HH11 ARG A1094 -3.179 -52.379 18.635 1.00 51.22 H new ATOM 0 HH12 ARG A1094 -1.557 -52.233 19.320 1.00 51.22 H new ATOM 0 HH21 ARG A1094 -0.421 -55.287 17.975 1.00 73.31 H new ATOM 0 HH22 ARG A1094 -0.001 -53.873 18.947 1.00 73.31 H new ATOM 697 N ASN A1095 -9.360 -53.398 17.169 1.00 3.21 N ATOM 698 CA ASN A1095 -10.798 -53.395 17.410 1.00 61.24 C ATOM 699 C ASN A1095 -11.548 -52.799 16.222 1.00 72.34 C ATOM 700 O ASN A1095 -10.954 -52.141 15.367 1.00 53.25 O ATOM 701 CB ASN A1095 -11.122 -52.605 18.680 1.00 74.03 C ATOM 702 CG ASN A1095 -10.722 -53.347 19.940 1.00 63.24 C ATOM 703 OD1 ASN A1095 -9.839 -52.908 20.678 1.00 12.20 O ATOM 704 ND2 ASN A1095 -11.370 -54.477 20.192 1.00 24.24 N ATOM 0 H ASN A1095 -8.980 -52.500 16.870 1.00 3.21 H new ATOM 0 HA ASN A1095 -11.121 -54.428 17.540 1.00 61.24 H new ATOM 0 HB2 ASN A1095 -10.607 -51.645 18.648 1.00 74.03 H new ATOM 0 HB3 ASN A1095 -12.191 -52.393 18.710 1.00 74.03 H new ATOM 0 HD21 ASN A1095 -11.143 -55.020 21.025 1.00 24.24 H new ATOM 0 HD22 ASN A1095 -12.095 -54.803 19.552 1.00 24.24 H new ATOM 711 N LEU A1096 -12.854 -53.034 16.176 1.00 73.05 N ATOM 712 CA LEU A1096 -13.686 -52.519 15.094 1.00 35.42 C ATOM 713 C LEU A1096 -14.047 -51.058 15.331 1.00 52.44 C ATOM 714 O LEU A1096 -14.588 -50.703 16.378 1.00 2.50 O ATOM 715 CB LEU A1096 -14.959 -53.356 14.961 1.00 34.22 C ATOM 716 CG LEU A1096 -15.556 -53.454 13.557 1.00 74.15 C ATOM 717 CD1 LEU A1096 -15.989 -52.081 13.065 1.00 74.22 C ATOM 718 CD2 LEU A1096 -14.555 -54.076 12.594 1.00 12.13 C ATOM 0 H LEU A1096 -13.360 -53.578 16.875 1.00 73.05 H new ATOM 0 HA LEU A1096 -13.115 -52.586 14.168 1.00 35.42 H new ATOM 0 HB2 LEU A1096 -14.745 -54.365 15.314 1.00 34.22 H new ATOM 0 HB3 LEU A1096 -15.715 -52.939 15.627 1.00 34.22 H new ATOM 0 HG LEU A1096 -16.435 -54.096 13.600 1.00 74.15 H new ATOM 0 HD11 LEU A1096 -16.412 -52.170 12.064 1.00 74.22 H new ATOM 0 HD12 LEU A1096 -16.740 -51.672 13.741 1.00 74.22 H new ATOM 0 HD13 LEU A1096 -15.126 -51.416 13.037 1.00 74.22 H new ATOM 0 HD21 LEU A1096 -14.997 -54.138 11.600 1.00 12.13 H new ATOM 0 HD22 LEU A1096 -13.657 -53.459 12.554 1.00 12.13 H new ATOM 0 HD23 LEU A1096 -14.293 -55.077 12.938 1.00 12.13 H new ATOM 730 N LYS A1097 -13.746 -50.211 14.352 1.00 33.41 N ATOM 731 CA LYS A1097 -14.042 -48.788 14.451 1.00 53.12 C ATOM 732 C LYS A1097 -15.503 -48.560 14.826 1.00 54.31 C ATOM 733 O LYS A1097 -16.379 -49.333 14.441 1.00 24.30 O ATOM 734 CB LYS A1097 -13.728 -48.086 13.127 1.00 15.35 C ATOM 735 CG LYS A1097 -12.287 -48.251 12.678 1.00 42.54 C ATOM 736 CD LYS A1097 -11.935 -47.277 11.566 1.00 54.45 C ATOM 737 CE LYS A1097 -10.822 -47.818 10.682 1.00 52.42 C ATOM 738 NZ LYS A1097 -10.627 -46.985 9.463 1.00 14.01 N ATOM 0 H LYS A1097 -13.296 -50.487 13.479 1.00 33.41 H new ATOM 0 HA LYS A1097 -13.414 -48.366 15.236 1.00 53.12 H new ATOM 0 HB2 LYS A1097 -14.388 -48.477 12.353 1.00 15.35 H new ATOM 0 HB3 LYS A1097 -13.949 -47.023 13.228 1.00 15.35 H new ATOM 0 HG2 LYS A1097 -11.620 -48.093 13.526 1.00 42.54 H new ATOM 0 HG3 LYS A1097 -12.127 -49.272 12.333 1.00 42.54 H new ATOM 0 HD2 LYS A1097 -12.819 -47.080 10.960 1.00 54.45 H new ATOM 0 HD3 LYS A1097 -11.627 -46.325 11.999 1.00 54.45 H new ATOM 0 HE2 LYS A1097 -9.892 -47.854 11.250 1.00 52.42 H new ATOM 0 HE3 LYS A1097 -11.056 -48.841 10.389 1.00 52.42 H new ATOM 0 HZ1 LYS A1097 -9.860 -47.387 8.887 1.00 14.01 H new ATOM 0 HZ2 LYS A1097 -11.506 -46.971 8.908 1.00 14.01 H new ATOM 0 HZ3 LYS A1097 -10.378 -46.014 9.742 1.00 14.01 H new ATOM 752 N GLU A1098 -15.757 -47.494 15.578 1.00 0.20 N ATOM 753 CA GLU A1098 -17.113 -47.165 16.004 1.00 32.11 C ATOM 754 C GLU A1098 -17.701 -46.056 15.137 1.00 44.15 C ATOM 755 O GLU A1098 -18.586 -45.317 15.570 1.00 40.31 O ATOM 756 CB GLU A1098 -17.121 -46.739 17.473 1.00 23.02 C ATOM 757 CG GLU A1098 -16.610 -47.812 18.420 1.00 2.33 C ATOM 758 CD GLU A1098 -16.879 -47.481 19.875 1.00 65.14 C ATOM 759 OE1 GLU A1098 -18.000 -47.756 20.350 1.00 51.32 O ATOM 760 OE2 GLU A1098 -15.966 -46.947 20.540 1.00 42.32 O ATOM 0 H GLU A1098 -15.042 -46.844 15.905 1.00 0.20 H new ATOM 0 HA GLU A1098 -17.729 -48.057 15.890 1.00 32.11 H new ATOM 0 HB2 GLU A1098 -16.509 -45.844 17.587 1.00 23.02 H new ATOM 0 HB3 GLU A1098 -18.137 -46.468 17.759 1.00 23.02 H new ATOM 0 HG2 GLU A1098 -17.082 -48.763 18.174 1.00 2.33 H new ATOM 0 HG3 GLU A1098 -15.538 -47.941 18.273 1.00 2.33 H new ATOM 767 N LYS A1099 -17.203 -45.943 13.911 1.00 43.23 N ATOM 768 CA LYS A1099 -17.678 -44.924 12.982 1.00 75.31 C ATOM 769 C LYS A1099 -18.487 -45.552 11.852 1.00 31.54 C ATOM 770 O LYS A1099 -17.994 -45.713 10.737 1.00 74.44 O ATOM 771 CB LYS A1099 -16.497 -44.142 12.403 1.00 73.44 C ATOM 772 CG LYS A1099 -15.947 -43.084 13.344 1.00 22.33 C ATOM 773 CD LYS A1099 -14.700 -42.426 12.776 1.00 1.15 C ATOM 774 CE LYS A1099 -13.494 -43.348 12.865 1.00 41.41 C ATOM 775 NZ LYS A1099 -12.351 -42.844 12.053 1.00 24.51 N ATOM 0 H LYS A1099 -16.470 -46.545 13.537 1.00 43.23 H new ATOM 0 HA LYS A1099 -18.325 -44.240 13.532 1.00 75.31 H new ATOM 0 HB2 LYS A1099 -15.699 -44.840 12.149 1.00 73.44 H new ATOM 0 HB3 LYS A1099 -16.809 -43.664 11.475 1.00 73.44 H new ATOM 0 HG2 LYS A1099 -16.709 -42.326 13.526 1.00 22.33 H new ATOM 0 HG3 LYS A1099 -15.713 -43.538 14.307 1.00 22.33 H new ATOM 0 HD2 LYS A1099 -14.874 -42.152 11.735 1.00 1.15 H new ATOM 0 HD3 LYS A1099 -14.495 -41.503 13.319 1.00 1.15 H new ATOM 0 HE2 LYS A1099 -13.186 -43.444 13.906 1.00 41.41 H new ATOM 0 HE3 LYS A1099 -13.772 -44.344 12.522 1.00 41.41 H new ATOM 0 HZ1 LYS A1099 -11.548 -43.499 12.139 1.00 24.51 H new ATOM 0 HZ2 LYS A1099 -12.637 -42.776 11.055 1.00 24.51 H new ATOM 0 HZ3 LYS A1099 -12.069 -41.904 12.397 1.00 24.51 H new ATOM 789 N MET A1100 -19.734 -45.907 12.150 1.00 72.33 N ATOM 790 CA MET A1100 -20.612 -46.515 11.157 1.00 25.32 C ATOM 791 C MET A1100 -21.722 -45.552 10.750 1.00 33.11 C ATOM 792 O MET A1100 -22.165 -45.551 9.602 1.00 73.42 O ATOM 793 CB MET A1100 -21.219 -47.808 11.707 1.00 52.14 C ATOM 794 CG MET A1100 -22.213 -47.581 12.834 1.00 31.22 C ATOM 795 SD MET A1100 -22.672 -49.110 13.672 1.00 11.44 S ATOM 796 CE MET A1100 -22.773 -48.548 15.370 1.00 31.05 C ATOM 0 H MET A1100 -20.158 -45.784 13.070 1.00 72.33 H new ATOM 0 HA MET A1100 -20.016 -46.747 10.275 1.00 25.32 H new ATOM 0 HB2 MET A1100 -21.717 -48.340 10.896 1.00 52.14 H new ATOM 0 HB3 MET A1100 -20.417 -48.453 12.066 1.00 52.14 H new ATOM 0 HG2 MET A1100 -21.784 -46.889 13.558 1.00 31.22 H new ATOM 0 HG3 MET A1100 -23.109 -47.108 12.433 1.00 31.22 H new ATOM 0 HE1 MET A1100 -23.049 -49.383 16.014 1.00 31.05 H new ATOM 0 HE2 MET A1100 -21.805 -48.154 15.681 1.00 31.05 H new ATOM 0 HE3 MET A1100 -23.526 -47.764 15.450 1.00 31.05 H new ATOM 806 N GLU A1101 -22.167 -44.734 11.699 1.00 41.33 N ATOM 807 CA GLU A1101 -23.227 -43.767 11.437 1.00 41.22 C ATOM 808 C GLU A1101 -22.681 -42.341 11.460 1.00 35.22 C ATOM 809 O GLU A1101 -23.342 -41.419 11.937 1.00 20.45 O ATOM 810 CB GLU A1101 -24.347 -43.912 12.470 1.00 70.21 C ATOM 811 CG GLU A1101 -23.884 -43.702 13.902 1.00 13.52 C ATOM 812 CD GLU A1101 -24.993 -43.195 14.804 1.00 24.25 C ATOM 813 OE1 GLU A1101 -26.149 -43.118 14.337 1.00 72.44 O ATOM 814 OE2 GLU A1101 -24.706 -42.876 15.977 1.00 31.33 O ATOM 0 H GLU A1101 -21.811 -44.722 12.655 1.00 41.33 H new ATOM 0 HA GLU A1101 -23.629 -43.968 10.444 1.00 41.22 H new ATOM 0 HB2 GLU A1101 -25.135 -43.194 12.243 1.00 70.21 H new ATOM 0 HB3 GLU A1101 -24.786 -44.906 12.381 1.00 70.21 H new ATOM 0 HG2 GLU A1101 -23.500 -44.642 14.298 1.00 13.52 H new ATOM 0 HG3 GLU A1101 -23.058 -42.991 13.913 1.00 13.52 H new ATOM 821 N ALA A1102 -21.469 -42.170 10.940 1.00 4.14 N ATOM 822 CA ALA A1102 -20.834 -40.859 10.899 1.00 1.51 C ATOM 823 C ALA A1102 -21.414 -40.003 9.778 1.00 2.11 C ATOM 824 O ALA A1102 -20.993 -40.102 8.627 1.00 63.44 O ATOM 825 CB ALA A1102 -19.329 -41.006 10.729 1.00 12.11 C ATOM 0 H ALA A1102 -20.908 -42.923 10.542 1.00 4.14 H new ATOM 0 HA ALA A1102 -21.034 -40.356 11.845 1.00 1.51 H new ATOM 0 HB1 ALA A1102 -18.868 -40.019 10.700 1.00 12.11 H new ATOM 0 HB2 ALA A1102 -18.922 -41.572 11.567 1.00 12.11 H new ATOM 0 HB3 ALA A1102 -19.118 -41.533 9.798 1.00 12.11 H new ATOM 831 N GLY A1103 -22.385 -39.163 10.123 1.00 42.51 N ATOM 832 CA GLY A1103 -23.007 -38.302 9.134 1.00 1.22 C ATOM 833 C GLY A1103 -22.343 -36.942 9.048 1.00 34.30 C ATOM 834 O GLY A1103 -21.134 -36.852 9.256 1.00 32.24 O ATOM 0 H GLY A1103 -22.752 -39.063 11.069 1.00 42.51 H new ATOM 0 HA2 GLY A1103 -22.965 -38.786 8.158 1.00 1.22 H new ATOM 0 HA3 GLY A1103 -24.061 -38.173 9.381 1.00 1.22 H new TER 838 GLY A1103