USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=10 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 16:sc= 0.551 USER MOD Single : A1055 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.018) USER MOD Single : A1060 TYR OH : rot 180:sc= 0 USER MOD Single : A1062 LYS NZ :NH3+ 150:sc= -0.0749 (180deg=-0.683) USER MOD Single : A1063 GLN : amide:sc= -2.89 K(o=-2.9,f=-7.2!) USER MOD Single : A1064 MET CE :methyl 131:sc= -5.03 (180deg=-8!) USER MOD Single : A1066 TYR OH : rot 180:sc= 0 USER MOD Single : A1068 TYR OH : rot 180:sc= 0 USER MOD Single : A1071 SER OG : rot 180:sc= 0 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+ -163:sc= -0.0247 (180deg=-0.219) USER MOD Single : A1095 ASN : amide:sc= -0.0733 X(o=-0.073,f=-0.058) USER MOD Single : A1097 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1099 LYS NZ :NH3+ 173:sc= -0.0122 (180deg=-0.0721) USER MOD Single : A1100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A1054 -6.549 -6.224 15.312 1.00 31.31 N ATOM 2 CA SER A1054 -7.376 -6.581 14.166 1.00 24.12 C ATOM 3 C SER A1054 -6.513 -6.863 12.940 1.00 3.23 C ATOM 4 O SER A1054 -5.323 -6.554 12.922 1.00 0.35 O ATOM 5 CB SER A1054 -8.369 -5.457 13.856 1.00 32.03 C ATOM 6 OG SER A1054 -8.768 -4.790 15.041 1.00 12.13 O ATOM 0 HA SER A1054 -7.929 -7.486 14.417 1.00 24.12 H new ATOM 0 HB2 SER A1054 -7.913 -4.744 13.169 1.00 32.03 H new ATOM 0 HB3 SER A1054 -9.244 -5.869 13.354 1.00 32.03 H new ATOM 0 HG SER A1054 -8.150 -5.016 15.767 1.00 12.13 H new ATOM 12 N ASN A1055 -7.123 -7.452 11.917 1.00 72.40 N ATOM 13 CA ASN A1055 -6.412 -7.778 10.686 1.00 13.43 C ATOM 14 C ASN A1055 -7.234 -7.388 9.462 1.00 1.02 C ATOM 15 O ASN A1055 -7.967 -8.206 8.908 1.00 22.13 O ATOM 16 CB ASN A1055 -6.085 -9.272 10.641 1.00 51.02 C ATOM 17 CG ASN A1055 -4.950 -9.645 11.575 1.00 1.51 C ATOM 18 OD1 ASN A1055 -5.077 -10.557 12.392 1.00 20.21 O ATOM 19 ND2 ASN A1055 -3.832 -8.939 11.457 1.00 23.23 N ATOM 0 H ASN A1055 -8.109 -7.714 11.916 1.00 72.40 H new ATOM 0 HA ASN A1055 -5.482 -7.209 10.672 1.00 13.43 H new ATOM 0 HB2 ASN A1055 -6.974 -9.844 10.908 1.00 51.02 H new ATOM 0 HB3 ASN A1055 -5.820 -9.552 9.622 1.00 51.02 H new ATOM 0 HD21 ASN A1055 -3.034 -9.144 12.058 1.00 23.23 H new ATOM 0 HD22 ASN A1055 -3.771 -8.192 10.766 1.00 23.23 H new ATOM 26 N ALA A1056 -7.106 -6.133 9.045 1.00 14.21 N ATOM 27 CA ALA A1056 -7.835 -5.635 7.886 1.00 64.55 C ATOM 28 C ALA A1056 -6.914 -5.490 6.679 1.00 23.32 C ATOM 29 O ALA A1056 -7.139 -4.645 5.812 1.00 40.21 O ATOM 30 CB ALA A1056 -8.497 -4.303 8.210 1.00 11.45 C ATOM 0 H ALA A1056 -6.504 -5.442 9.493 1.00 14.21 H new ATOM 0 HA ALA A1056 -8.608 -6.361 7.635 1.00 64.55 H new ATOM 0 HB1 ALA A1056 -9.038 -3.943 7.335 1.00 11.45 H new ATOM 0 HB2 ALA A1056 -9.193 -4.435 9.038 1.00 11.45 H new ATOM 0 HB3 ALA A1056 -7.734 -3.576 8.489 1.00 11.45 H new ATOM 36 N ASP A1057 -5.878 -6.319 6.629 1.00 1.13 N ATOM 37 CA ASP A1057 -4.922 -6.284 5.528 1.00 65.42 C ATOM 38 C ASP A1057 -3.907 -7.416 5.651 1.00 74.44 C ATOM 39 O ASP A1057 -3.075 -7.422 6.559 1.00 43.35 O ATOM 40 CB ASP A1057 -4.201 -4.936 5.493 1.00 13.11 C ATOM 41 CG ASP A1057 -3.656 -4.606 4.118 1.00 33.13 C ATOM 42 OD1 ASP A1057 -3.762 -5.463 3.217 1.00 1.13 O ATOM 43 OD2 ASP A1057 -3.123 -3.490 3.943 1.00 42.10 O ATOM 0 H ASP A1057 -5.678 -7.024 7.338 1.00 1.13 H new ATOM 0 HA ASP A1057 -5.474 -6.416 4.597 1.00 65.42 H new ATOM 0 HB2 ASP A1057 -4.890 -4.151 5.806 1.00 13.11 H new ATOM 0 HB3 ASP A1057 -3.382 -4.947 6.212 1.00 13.11 H new ATOM 48 N VAL A1058 -3.984 -8.375 4.735 1.00 21.22 N ATOM 49 CA VAL A1058 -3.072 -9.514 4.741 1.00 51.14 C ATOM 50 C VAL A1058 -2.162 -9.495 3.518 1.00 31.33 C ATOM 51 O VAL A1058 -2.186 -10.415 2.699 1.00 72.24 O ATOM 52 CB VAL A1058 -3.840 -10.848 4.777 1.00 70.41 C ATOM 53 CG1 VAL A1058 -2.885 -12.008 5.015 1.00 50.34 C ATOM 54 CG2 VAL A1058 -4.923 -10.810 5.845 1.00 33.42 C ATOM 0 H VAL A1058 -4.668 -8.387 3.979 1.00 21.22 H new ATOM 0 HA VAL A1058 -2.465 -9.430 5.643 1.00 51.14 H new ATOM 0 HB VAL A1058 -4.320 -10.997 3.810 1.00 70.41 H new ATOM 0 HG11 VAL A1058 -3.446 -12.942 5.037 1.00 50.34 H new ATOM 0 HG12 VAL A1058 -2.150 -12.045 4.211 1.00 50.34 H new ATOM 0 HG13 VAL A1058 -2.374 -11.869 5.968 1.00 50.34 H new ATOM 0 HG21 VAL A1058 -5.456 -11.761 5.857 1.00 33.42 H new ATOM 0 HG22 VAL A1058 -4.467 -10.638 6.820 1.00 33.42 H new ATOM 0 HG23 VAL A1058 -5.623 -10.004 5.625 1.00 33.42 H new ATOM 64 N VAL A1059 -1.359 -8.443 3.400 1.00 13.12 N ATOM 65 CA VAL A1059 -0.439 -8.306 2.278 1.00 23.43 C ATOM 66 C VAL A1059 1.001 -8.176 2.760 1.00 44.32 C ATOM 67 O VAL A1059 1.934 -8.616 2.088 1.00 31.02 O ATOM 68 CB VAL A1059 -0.791 -7.083 1.410 1.00 23.41 C ATOM 69 CG1 VAL A1059 0.178 -6.958 0.243 1.00 71.31 C ATOM 70 CG2 VAL A1059 -2.226 -7.178 0.913 1.00 41.14 C ATOM 0 H VAL A1059 -1.327 -7.673 4.068 1.00 13.12 H new ATOM 0 HA VAL A1059 -0.537 -9.210 1.676 1.00 23.43 H new ATOM 0 HB VAL A1059 -0.701 -6.187 2.024 1.00 23.41 H new ATOM 0 HG11 VAL A1059 -0.087 -6.088 -0.358 1.00 71.31 H new ATOM 0 HG12 VAL A1059 1.193 -6.840 0.624 1.00 71.31 H new ATOM 0 HG13 VAL A1059 0.123 -7.856 -0.373 1.00 71.31 H new ATOM 0 HG21 VAL A1059 -2.458 -6.306 0.302 1.00 41.14 H new ATOM 0 HG22 VAL A1059 -2.345 -8.082 0.316 1.00 41.14 H new ATOM 0 HG23 VAL A1059 -2.905 -7.214 1.765 1.00 41.14 H new ATOM 80 N TYR A1060 1.175 -7.568 3.928 1.00 3.41 N ATOM 81 CA TYR A1060 2.503 -7.377 4.500 1.00 73.15 C ATOM 82 C TYR A1060 3.243 -8.706 4.613 1.00 14.14 C ATOM 83 O TYR A1060 2.694 -9.763 4.303 1.00 61.13 O ATOM 84 CB TYR A1060 2.398 -6.720 5.877 1.00 61.15 C ATOM 85 CG TYR A1060 2.334 -5.210 5.824 1.00 12.23 C ATOM 86 CD1 TYR A1060 1.220 -4.559 5.310 1.00 30.42 C ATOM 87 CD2 TYR A1060 3.388 -4.435 6.291 1.00 41.43 C ATOM 88 CE1 TYR A1060 1.157 -3.181 5.259 1.00 10.41 C ATOM 89 CE2 TYR A1060 3.335 -3.055 6.245 1.00 61.22 C ATOM 90 CZ TYR A1060 2.217 -2.433 5.728 1.00 72.12 C ATOM 91 OH TYR A1060 2.159 -1.059 5.681 1.00 61.02 O ATOM 0 H TYR A1060 0.413 -7.199 4.497 1.00 3.41 H new ATOM 0 HA TYR A1060 3.067 -6.723 3.835 1.00 73.15 H new ATOM 0 HB2 TYR A1060 1.508 -7.095 6.383 1.00 61.15 H new ATOM 0 HB3 TYR A1060 3.256 -7.018 6.479 1.00 61.15 H new ATOM 0 HD1 TYR A1060 0.388 -5.142 4.943 1.00 30.42 H new ATOM 0 HD2 TYR A1060 4.264 -4.919 6.697 1.00 41.43 H new ATOM 0 HE1 TYR A1060 0.283 -2.692 4.854 1.00 10.41 H new ATOM 0 HE2 TYR A1060 4.163 -2.467 6.611 1.00 61.22 H new ATOM 0 HH TYR A1060 2.985 -0.684 6.051 1.00 61.02 H new ATOM 101 N GLU A1061 4.493 -8.643 5.062 1.00 21.12 N ATOM 102 CA GLU A1061 5.309 -9.842 5.216 1.00 51.34 C ATOM 103 C GLU A1061 5.683 -10.061 6.679 1.00 21.20 C ATOM 104 O GLU A1061 6.122 -11.145 7.064 1.00 51.44 O ATOM 105 CB GLU A1061 6.577 -9.735 4.365 1.00 33.25 C ATOM 106 CG GLU A1061 7.635 -10.768 4.718 1.00 72.21 C ATOM 107 CD GLU A1061 8.874 -10.653 3.852 1.00 44.02 C ATOM 108 OE1 GLU A1061 9.151 -9.541 3.356 1.00 74.24 O ATOM 109 OE2 GLU A1061 9.566 -11.676 3.669 1.00 43.00 O ATOM 0 H GLU A1061 4.962 -7.776 5.325 1.00 21.12 H new ATOM 0 HA GLU A1061 4.723 -10.696 4.877 1.00 51.34 H new ATOM 0 HB2 GLU A1061 6.310 -9.845 3.314 1.00 33.25 H new ATOM 0 HB3 GLU A1061 7.001 -8.738 4.483 1.00 33.25 H new ATOM 0 HG2 GLU A1061 7.916 -10.652 5.765 1.00 72.21 H new ATOM 0 HG3 GLU A1061 7.212 -11.767 4.610 1.00 72.21 H new ATOM 116 N LYS A1062 5.504 -9.024 7.490 1.00 13.41 N ATOM 117 CA LYS A1062 5.821 -9.101 8.912 1.00 13.21 C ATOM 118 C LYS A1062 4.637 -9.645 9.704 1.00 72.34 C ATOM 119 O LYS A1062 4.575 -9.497 10.925 1.00 44.22 O ATOM 120 CB LYS A1062 6.213 -7.720 9.444 1.00 3.05 C ATOM 121 CG LYS A1062 6.855 -6.826 8.397 1.00 1.30 C ATOM 122 CD LYS A1062 7.776 -5.798 9.032 1.00 55.24 C ATOM 123 CE LYS A1062 6.989 -4.715 9.755 1.00 63.11 C ATOM 124 NZ LYS A1062 6.679 -5.099 11.160 1.00 74.43 N ATOM 0 H LYS A1062 5.141 -8.120 7.187 1.00 13.41 H new ATOM 0 HA LYS A1062 6.662 -9.783 9.035 1.00 13.21 H new ATOM 0 HB2 LYS A1062 5.325 -7.225 9.837 1.00 3.05 H new ATOM 0 HB3 LYS A1062 6.904 -7.844 10.278 1.00 3.05 H new ATOM 0 HG2 LYS A1062 7.420 -7.437 7.693 1.00 1.30 H new ATOM 0 HG3 LYS A1062 6.078 -6.317 7.826 1.00 1.30 H new ATOM 0 HD2 LYS A1062 8.446 -6.293 9.735 1.00 55.24 H new ATOM 0 HD3 LYS A1062 8.401 -5.343 8.263 1.00 55.24 H new ATOM 0 HE2 LYS A1062 7.560 -3.786 9.750 1.00 63.11 H new ATOM 0 HE3 LYS A1062 6.060 -4.521 9.218 1.00 63.11 H new ATOM 0 HZ1 LYS A1062 6.624 -4.244 11.749 1.00 74.43 H new ATOM 0 HZ2 LYS A1062 5.768 -5.600 11.190 1.00 74.43 H new ATOM 0 HZ3 LYS A1062 7.428 -5.722 11.523 1.00 74.43 H new ATOM 138 N GLN A1063 3.700 -10.274 9.003 1.00 33.42 N ATOM 139 CA GLN A1063 2.518 -10.840 9.642 1.00 34.01 C ATOM 140 C GLN A1063 2.901 -11.970 10.592 1.00 54.51 C ATOM 141 O GLN A1063 2.119 -12.357 11.460 1.00 61.13 O ATOM 142 CB GLN A1063 1.539 -11.357 8.587 1.00 50.22 C ATOM 143 CG GLN A1063 1.107 -10.296 7.587 1.00 20.41 C ATOM 144 CD GLN A1063 0.621 -10.890 6.280 1.00 4.42 C ATOM 145 OE1 GLN A1063 -0.468 -10.567 5.805 1.00 23.44 O ATOM 146 NE2 GLN A1063 1.429 -11.763 5.690 1.00 63.33 N ATOM 0 H GLN A1063 3.736 -10.405 7.992 1.00 33.42 H new ATOM 0 HA GLN A1063 2.036 -10.051 10.219 1.00 34.01 H new ATOM 0 HB2 GLN A1063 2.001 -12.185 8.049 1.00 50.22 H new ATOM 0 HB3 GLN A1063 0.656 -11.755 9.087 1.00 50.22 H new ATOM 0 HG2 GLN A1063 0.313 -9.692 8.025 1.00 20.41 H new ATOM 0 HG3 GLN A1063 1.944 -9.627 7.389 1.00 20.41 H new ATOM 0 HE21 GLN A1063 2.323 -12.002 6.119 1.00 63.33 H new ATOM 0 HE22 GLN A1063 1.156 -12.195 4.807 1.00 63.33 H new ATOM 155 N MET A1064 4.111 -12.494 10.423 1.00 43.10 N ATOM 156 CA MET A1064 4.599 -13.578 11.267 1.00 31.54 C ATOM 157 C MET A1064 3.578 -14.710 11.341 1.00 75.24 C ATOM 158 O MET A1064 3.512 -15.436 12.335 1.00 23.20 O ATOM 159 CB MET A1064 4.907 -13.061 12.673 1.00 11.21 C ATOM 160 CG MET A1064 5.946 -11.952 12.698 1.00 44.41 C ATOM 161 SD MET A1064 7.513 -12.452 11.958 1.00 22.01 S ATOM 162 CE MET A1064 7.228 -12.028 10.241 1.00 75.43 C ATOM 0 H MET A1064 4.771 -12.185 9.709 1.00 43.10 H new ATOM 0 HA MET A1064 5.516 -13.966 10.823 1.00 31.54 H new ATOM 0 HB2 MET A1064 3.986 -12.695 13.127 1.00 11.21 H new ATOM 0 HB3 MET A1064 5.258 -13.890 13.288 1.00 11.21 H new ATOM 0 HG2 MET A1064 5.558 -11.084 12.166 1.00 44.41 H new ATOM 0 HG3 MET A1064 6.118 -11.643 13.729 1.00 44.41 H new ATOM 0 HE1 MET A1064 8.074 -11.454 9.863 1.00 75.43 H new ATOM 0 HE2 MET A1064 7.117 -12.940 9.655 1.00 75.43 H new ATOM 0 HE3 MET A1064 6.319 -11.432 10.159 1.00 75.43 H new ATOM 172 N LEU A1065 2.784 -14.854 10.287 1.00 61.40 N ATOM 173 CA LEU A1065 1.765 -15.898 10.233 1.00 72.13 C ATOM 174 C LEU A1065 2.276 -17.119 9.475 1.00 64.32 C ATOM 175 O LEU A1065 1.749 -18.221 9.627 1.00 32.22 O ATOM 176 CB LEU A1065 0.495 -15.364 9.569 1.00 33.33 C ATOM 177 CG LEU A1065 0.682 -14.681 8.214 1.00 13.54 C ATOM 178 CD1 LEU A1065 0.835 -15.717 7.111 1.00 44.24 C ATOM 179 CD2 LEU A1065 -0.486 -13.752 7.919 1.00 30.25 C ATOM 0 H LEU A1065 2.825 -14.262 9.458 1.00 61.40 H new ATOM 0 HA LEU A1065 1.534 -16.199 11.255 1.00 72.13 H new ATOM 0 HB2 LEU A1065 -0.201 -16.193 9.442 1.00 33.33 H new ATOM 0 HB3 LEU A1065 0.024 -14.654 10.249 1.00 33.33 H new ATOM 0 HG LEU A1065 1.593 -14.084 8.252 1.00 13.54 H new ATOM 0 HD11 LEU A1065 0.967 -15.213 6.154 1.00 44.24 H new ATOM 0 HD12 LEU A1065 1.705 -16.341 7.316 1.00 44.24 H new ATOM 0 HD13 LEU A1065 -0.058 -16.341 7.072 1.00 44.24 H new ATOM 0 HD21 LEU A1065 -0.336 -13.275 6.951 1.00 30.25 H new ATOM 0 HD22 LEU A1065 -1.412 -14.326 7.900 1.00 30.25 H new ATOM 0 HD23 LEU A1065 -0.548 -12.988 8.694 1.00 30.25 H new ATOM 191 N TYR A1066 3.304 -16.915 8.660 1.00 71.14 N ATOM 192 CA TYR A1066 3.886 -17.998 7.878 1.00 24.24 C ATOM 193 C TYR A1066 4.268 -19.173 8.772 1.00 11.30 C ATOM 194 O TYR A1066 4.360 -20.313 8.316 1.00 72.21 O ATOM 195 CB TYR A1066 5.115 -17.502 7.115 1.00 14.43 C ATOM 196 CG TYR A1066 6.304 -17.215 8.005 1.00 44.33 C ATOM 197 CD1 TYR A1066 6.401 -16.018 8.704 1.00 73.30 C ATOM 198 CD2 TYR A1066 7.331 -18.141 8.147 1.00 24.41 C ATOM 199 CE1 TYR A1066 7.485 -15.752 9.518 1.00 4.41 C ATOM 200 CE2 TYR A1066 8.418 -17.884 8.959 1.00 2.22 C ATOM 201 CZ TYR A1066 8.491 -16.688 9.641 1.00 53.15 C ATOM 202 OH TYR A1066 9.572 -16.426 10.452 1.00 33.44 O ATOM 0 H TYR A1066 3.752 -16.009 8.524 1.00 71.14 H new ATOM 0 HA TYR A1066 3.136 -18.338 7.164 1.00 24.24 H new ATOM 0 HB2 TYR A1066 5.398 -18.249 6.374 1.00 14.43 H new ATOM 0 HB3 TYR A1066 4.853 -16.596 6.570 1.00 14.43 H new ATOM 0 HD1 TYR A1066 5.615 -15.283 8.609 1.00 73.30 H new ATOM 0 HD2 TYR A1066 7.278 -19.078 7.613 1.00 24.41 H new ATOM 0 HE1 TYR A1066 7.545 -14.817 10.055 1.00 4.41 H new ATOM 0 HE2 TYR A1066 9.206 -18.615 9.059 1.00 2.22 H new ATOM 0 HH TYR A1066 10.190 -17.186 10.430 1.00 33.44 H new ATOM 212 N LEU A1067 4.490 -18.885 10.051 1.00 24.04 N ATOM 213 CA LEU A1067 4.862 -19.917 11.013 1.00 41.23 C ATOM 214 C LEU A1067 3.637 -20.705 11.467 1.00 54.41 C ATOM 215 O LEU A1067 3.682 -21.930 11.583 1.00 5.30 O ATOM 216 CB LEU A1067 5.556 -19.288 12.223 1.00 63.34 C ATOM 217 CG LEU A1067 6.777 -18.418 11.919 1.00 74.54 C ATOM 218 CD1 LEU A1067 6.929 -17.327 12.967 1.00 63.14 C ATOM 219 CD2 LEU A1067 8.035 -19.272 11.849 1.00 74.30 C ATOM 0 H LEU A1067 4.419 -17.947 10.445 1.00 24.04 H new ATOM 0 HA LEU A1067 5.552 -20.604 10.523 1.00 41.23 H new ATOM 0 HB2 LEU A1067 4.827 -18.681 12.760 1.00 63.34 H new ATOM 0 HB3 LEU A1067 5.863 -20.088 12.897 1.00 63.34 H new ATOM 0 HG LEU A1067 6.629 -17.943 10.949 1.00 74.54 H new ATOM 0 HD11 LEU A1067 7.803 -16.718 12.734 1.00 63.14 H new ATOM 0 HD12 LEU A1067 6.039 -16.698 12.969 1.00 63.14 H new ATOM 0 HD13 LEU A1067 7.055 -17.781 13.950 1.00 63.14 H new ATOM 0 HD21 LEU A1067 8.894 -18.637 11.632 1.00 74.30 H new ATOM 0 HD22 LEU A1067 8.187 -19.775 12.804 1.00 74.30 H new ATOM 0 HD23 LEU A1067 7.926 -20.017 11.061 1.00 74.30 H new ATOM 231 N TYR A1068 2.545 -19.994 11.722 1.00 41.13 N ATOM 232 CA TYR A1068 1.307 -20.626 12.164 1.00 22.13 C ATOM 233 C TYR A1068 0.678 -21.439 11.036 1.00 33.43 C ATOM 234 O TYR A1068 0.080 -22.490 11.271 1.00 42.30 O ATOM 235 CB TYR A1068 0.319 -19.571 12.660 1.00 51.34 C ATOM 236 CG TYR A1068 -0.866 -19.371 11.742 1.00 23.20 C ATOM 237 CD1 TYR A1068 -1.951 -20.238 11.778 1.00 62.11 C ATOM 238 CD2 TYR A1068 -0.900 -18.316 10.839 1.00 45.40 C ATOM 239 CE1 TYR A1068 -3.035 -20.060 10.940 1.00 61.13 C ATOM 240 CE2 TYR A1068 -1.981 -18.129 9.998 1.00 34.21 C ATOM 241 CZ TYR A1068 -3.046 -19.004 10.052 1.00 2.15 C ATOM 242 OH TYR A1068 -4.124 -18.823 9.217 1.00 34.02 O ATOM 0 H TYR A1068 2.491 -18.980 11.630 1.00 41.13 H new ATOM 0 HA TYR A1068 1.547 -21.302 12.985 1.00 22.13 H new ATOM 0 HB2 TYR A1068 -0.042 -19.859 13.647 1.00 51.34 H new ATOM 0 HB3 TYR A1068 0.842 -18.622 12.776 1.00 51.34 H new ATOM 0 HD1 TYR A1068 -1.947 -21.065 12.473 1.00 62.11 H new ATOM 0 HD2 TYR A1068 -0.067 -17.630 10.793 1.00 45.40 H new ATOM 0 HE1 TYR A1068 -3.870 -20.744 10.980 1.00 61.13 H new ATOM 0 HE2 TYR A1068 -1.992 -17.303 9.303 1.00 34.21 H new ATOM 0 HH TYR A1068 -3.974 -18.034 8.656 1.00 34.02 H new ATOM 252 N VAL A1069 0.817 -20.945 9.810 1.00 15.30 N ATOM 253 CA VAL A1069 0.265 -21.624 8.645 1.00 63.24 C ATOM 254 C VAL A1069 1.091 -22.852 8.282 1.00 22.12 C ATOM 255 O VAL A1069 0.558 -23.851 7.796 1.00 61.11 O ATOM 256 CB VAL A1069 0.200 -20.684 7.426 1.00 75.25 C ATOM 257 CG1 VAL A1069 1.598 -20.376 6.915 1.00 43.22 C ATOM 258 CG2 VAL A1069 -0.655 -21.296 6.327 1.00 62.34 C ATOM 0 H VAL A1069 1.308 -20.076 9.598 1.00 15.30 H new ATOM 0 HA VAL A1069 -0.746 -21.935 8.909 1.00 63.24 H new ATOM 0 HB VAL A1069 -0.263 -19.747 7.736 1.00 75.25 H new ATOM 0 HG11 VAL A1069 1.532 -19.711 6.054 1.00 43.22 H new ATOM 0 HG12 VAL A1069 2.175 -19.893 7.703 1.00 43.22 H new ATOM 0 HG13 VAL A1069 2.090 -21.303 6.621 1.00 43.22 H new ATOM 0 HG21 VAL A1069 -0.690 -20.619 5.474 1.00 62.34 H new ATOM 0 HG22 VAL A1069 -0.223 -22.248 6.017 1.00 62.34 H new ATOM 0 HG23 VAL A1069 -1.665 -21.461 6.701 1.00 62.34 H new ATOM 268 N LEU A1070 2.395 -22.773 8.521 1.00 21.31 N ATOM 269 CA LEU A1070 3.296 -23.880 8.220 1.00 14.21 C ATOM 270 C LEU A1070 3.160 -24.991 9.256 1.00 73.24 C ATOM 271 O LEU A1070 3.274 -26.173 8.933 1.00 2.20 O ATOM 272 CB LEU A1070 4.744 -23.386 8.174 1.00 64.11 C ATOM 273 CG LEU A1070 5.756 -24.335 7.529 1.00 63.23 C ATOM 274 CD1 LEU A1070 5.512 -24.439 6.032 1.00 72.42 C ATOM 275 CD2 LEU A1070 7.177 -23.867 7.808 1.00 23.15 C ATOM 0 H LEU A1070 2.852 -21.954 8.922 1.00 21.31 H new ATOM 0 HA LEU A1070 3.023 -24.283 7.245 1.00 14.21 H new ATOM 0 HB2 LEU A1070 4.767 -22.440 7.633 1.00 64.11 H new ATOM 0 HB3 LEU A1070 5.069 -23.179 9.194 1.00 64.11 H new ATOM 0 HG LEU A1070 5.627 -25.325 7.966 1.00 63.23 H new ATOM 0 HD11 LEU A1070 6.241 -25.118 5.591 1.00 72.42 H new ATOM 0 HD12 LEU A1070 4.507 -24.820 5.853 1.00 72.42 H new ATOM 0 HD13 LEU A1070 5.613 -23.453 5.578 1.00 72.42 H new ATOM 0 HD21 LEU A1070 7.884 -24.553 7.342 1.00 23.15 H new ATOM 0 HD22 LEU A1070 7.318 -22.867 7.398 1.00 23.15 H new ATOM 0 HD23 LEU A1070 7.348 -23.845 8.884 1.00 23.15 H new ATOM 287 N SER A1071 2.912 -24.603 10.504 1.00 23.20 N ATOM 288 CA SER A1071 2.761 -25.566 11.588 1.00 72.30 C ATOM 289 C SER A1071 1.418 -26.285 11.493 1.00 1.33 C ATOM 290 O SER A1071 1.286 -27.435 11.911 1.00 2.32 O ATOM 291 CB SER A1071 2.882 -24.865 12.942 1.00 44.41 C ATOM 292 OG SER A1071 2.193 -25.582 13.951 1.00 32.31 O ATOM 0 H SER A1071 2.812 -23.629 10.788 1.00 23.20 H new ATOM 0 HA SER A1071 3.557 -26.305 11.497 1.00 72.30 H new ATOM 0 HB2 SER A1071 3.933 -24.770 13.213 1.00 44.41 H new ATOM 0 HB3 SER A1071 2.479 -23.855 12.869 1.00 44.41 H new ATOM 0 HG SER A1071 2.287 -25.114 14.807 1.00 32.31 H new ATOM 298 N GLY A1072 0.424 -25.597 10.940 1.00 63.32 N ATOM 299 CA GLY A1072 -0.896 -26.184 10.800 1.00 3.35 C ATOM 300 C GLY A1072 -0.963 -27.198 9.675 1.00 61.22 C ATOM 301 O GLY A1072 -1.616 -28.234 9.802 1.00 51.12 O ATOM 0 H GLY A1072 0.509 -24.644 10.587 1.00 63.32 H new ATOM 0 HA2 GLY A1072 -1.177 -26.666 11.736 1.00 3.35 H new ATOM 0 HA3 GLY A1072 -1.624 -25.394 10.617 1.00 3.35 H new ATOM 305 N ILE A1073 -0.288 -26.899 8.570 1.00 74.32 N ATOM 306 CA ILE A1073 -0.275 -27.792 7.418 1.00 12.24 C ATOM 307 C ILE A1073 0.589 -29.020 7.685 1.00 71.32 C ATOM 308 O ILE A1073 0.320 -30.104 7.170 1.00 0.35 O ATOM 309 CB ILE A1073 0.244 -27.077 6.157 1.00 54.21 C ATOM 310 CG1 ILE A1073 1.726 -26.730 6.314 1.00 11.21 C ATOM 311 CG2 ILE A1073 -0.572 -25.822 5.885 1.00 34.50 C ATOM 312 CD1 ILE A1073 2.322 -26.058 5.097 1.00 13.32 C ATOM 0 H ILE A1073 0.257 -26.045 8.448 1.00 74.32 H new ATOM 0 HA ILE A1073 -1.305 -28.105 7.249 1.00 12.24 H new ATOM 0 HB ILE A1073 0.135 -27.750 5.306 1.00 54.21 H new ATOM 0 HG12 ILE A1073 1.848 -26.075 7.177 1.00 11.21 H new ATOM 0 HG13 ILE A1073 2.284 -27.642 6.525 1.00 11.21 H new ATOM 0 HG21 ILE A1073 -0.193 -25.328 4.990 1.00 34.50 H new ATOM 0 HG22 ILE A1073 -1.617 -26.093 5.734 1.00 34.50 H new ATOM 0 HG23 ILE A1073 -0.492 -25.145 6.735 1.00 34.50 H new ATOM 0 HD11 ILE A1073 3.374 -25.841 5.280 1.00 13.32 H new ATOM 0 HD12 ILE A1073 2.232 -26.720 4.235 1.00 13.32 H new ATOM 0 HD13 ILE A1073 1.789 -25.128 4.897 1.00 13.32 H new ATOM 324 N GLY A1074 1.628 -28.841 8.496 1.00 23.13 N ATOM 325 CA GLY A1074 2.515 -29.945 8.818 1.00 45.43 C ATOM 326 C GLY A1074 1.889 -30.926 9.789 1.00 1.31 C ATOM 327 O GLY A1074 2.141 -32.128 9.716 1.00 42.21 O ATOM 0 H GLY A1074 1.871 -27.953 8.935 1.00 23.13 H new ATOM 0 HA2 GLY A1074 2.786 -30.469 7.901 1.00 45.43 H new ATOM 0 HA3 GLY A1074 3.438 -29.553 9.246 1.00 45.43 H new ATOM 331 N GLY A1075 1.073 -30.412 10.705 1.00 21.43 N ATOM 332 CA GLY A1075 0.425 -31.266 11.682 1.00 74.12 C ATOM 333 C GLY A1075 -0.711 -32.073 11.085 1.00 34.13 C ATOM 334 O GLY A1075 -0.963 -33.206 11.499 1.00 11.51 O ATOM 0 H GLY A1075 0.850 -29.420 10.787 1.00 21.43 H new ATOM 0 HA2 GLY A1075 1.162 -31.945 12.112 1.00 74.12 H new ATOM 0 HA3 GLY A1075 0.042 -30.653 12.498 1.00 74.12 H new ATOM 338 N LEU A1076 -1.400 -31.491 10.111 1.00 3.43 N ATOM 339 CA LEU A1076 -2.517 -32.163 9.455 1.00 51.02 C ATOM 340 C LEU A1076 -2.022 -33.287 8.552 1.00 4.15 C ATOM 341 O LEU A1076 -2.637 -34.352 8.472 1.00 41.32 O ATOM 342 CB LEU A1076 -3.334 -31.160 8.640 1.00 44.24 C ATOM 343 CG LEU A1076 -4.611 -30.639 9.300 1.00 12.22 C ATOM 344 CD1 LEU A1076 -5.609 -31.770 9.497 1.00 43.40 C ATOM 345 CD2 LEU A1076 -4.290 -29.972 10.629 1.00 21.13 C ATOM 0 H LEU A1076 -1.205 -30.554 9.757 1.00 3.43 H new ATOM 0 HA LEU A1076 -3.152 -32.596 10.228 1.00 51.02 H new ATOM 0 HB2 LEU A1076 -2.696 -30.308 8.406 1.00 44.24 H new ATOM 0 HB3 LEU A1076 -3.603 -31.626 7.692 1.00 44.24 H new ATOM 0 HG LEU A1076 -5.060 -29.895 8.642 1.00 12.22 H new ATOM 0 HD11 LEU A1076 -6.512 -31.381 9.968 1.00 43.40 H new ATOM 0 HD12 LEU A1076 -5.863 -32.204 8.530 1.00 43.40 H new ATOM 0 HD13 LEU A1076 -5.169 -32.537 10.135 1.00 43.40 H new ATOM 0 HD21 LEU A1076 -5.210 -29.607 11.085 1.00 21.13 H new ATOM 0 HD22 LEU A1076 -3.818 -30.695 11.294 1.00 21.13 H new ATOM 0 HD23 LEU A1076 -3.612 -29.135 10.462 1.00 21.13 H new ATOM 357 N LEU A1077 -0.905 -33.046 7.873 1.00 73.13 N ATOM 358 CA LEU A1077 -0.324 -34.039 6.976 1.00 72.31 C ATOM 359 C LEU A1077 0.196 -35.241 7.758 1.00 61.54 C ATOM 360 O LEU A1077 0.055 -36.385 7.324 1.00 31.40 O ATOM 361 CB LEU A1077 0.811 -33.417 6.162 1.00 24.54 C ATOM 362 CG LEU A1077 0.465 -33.017 4.726 1.00 35.53 C ATOM 363 CD1 LEU A1077 -0.761 -32.119 4.703 1.00 22.31 C ATOM 364 CD2 LEU A1077 1.649 -32.325 4.066 1.00 33.43 C ATOM 0 H LEU A1077 -0.384 -32.171 7.927 1.00 73.13 H new ATOM 0 HA LEU A1077 -1.105 -34.381 6.297 1.00 72.31 H new ATOM 0 HB2 LEU A1077 1.167 -32.532 6.689 1.00 24.54 H new ATOM 0 HB3 LEU A1077 1.640 -34.124 6.132 1.00 24.54 H new ATOM 0 HG LEU A1077 0.237 -33.921 4.161 1.00 35.53 H new ATOM 0 HD11 LEU A1077 -0.992 -31.845 3.674 1.00 22.31 H new ATOM 0 HD12 LEU A1077 -1.609 -32.650 5.136 1.00 22.31 H new ATOM 0 HD13 LEU A1077 -0.563 -31.218 5.283 1.00 22.31 H new ATOM 0 HD21 LEU A1077 1.386 -32.047 3.045 1.00 33.43 H new ATOM 0 HD22 LEU A1077 1.908 -31.429 4.630 1.00 33.43 H new ATOM 0 HD23 LEU A1077 2.503 -33.002 4.049 1.00 33.43 H new ATOM 376 N LEU A1078 0.793 -34.975 8.914 1.00 0.43 N ATOM 377 CA LEU A1078 1.333 -36.036 9.758 1.00 42.01 C ATOM 378 C LEU A1078 0.211 -36.822 10.427 1.00 75.54 C ATOM 379 O LEU A1078 0.368 -38.002 10.746 1.00 41.44 O ATOM 380 CB LEU A1078 2.260 -35.446 10.822 1.00 3.40 C ATOM 381 CG LEU A1078 3.757 -35.502 10.512 1.00 52.01 C ATOM 382 CD1 LEU A1078 4.042 -34.903 9.143 1.00 13.44 C ATOM 383 CD2 LEU A1078 4.553 -34.779 11.590 1.00 62.30 C ATOM 0 H LEU A1078 0.916 -34.034 9.289 1.00 0.43 H new ATOM 0 HA LEU A1078 1.902 -36.716 9.125 1.00 42.01 H new ATOM 0 HB2 LEU A1078 1.981 -34.405 10.982 1.00 3.40 H new ATOM 0 HB3 LEU A1078 2.084 -35.971 11.761 1.00 3.40 H new ATOM 0 HG LEU A1078 4.067 -36.547 10.500 1.00 52.01 H new ATOM 0 HD11 LEU A1078 5.112 -34.952 8.940 1.00 13.44 H new ATOM 0 HD12 LEU A1078 3.502 -35.465 8.381 1.00 13.44 H new ATOM 0 HD13 LEU A1078 3.716 -33.863 9.126 1.00 13.44 H new ATOM 0 HD21 LEU A1078 5.616 -34.829 11.353 1.00 62.30 H new ATOM 0 HD22 LEU A1078 4.240 -33.736 11.635 1.00 62.30 H new ATOM 0 HD23 LEU A1078 4.374 -35.254 12.555 1.00 62.30 H new ATOM 395 N LEU A1079 -0.925 -36.163 10.636 1.00 3.03 N ATOM 396 CA LEU A1079 -2.075 -36.802 11.264 1.00 55.04 C ATOM 397 C LEU A1079 -2.751 -37.775 10.303 1.00 71.35 C ATOM 398 O LEU A1079 -3.210 -38.844 10.706 1.00 51.00 O ATOM 399 CB LEU A1079 -3.080 -35.745 11.729 1.00 3.35 C ATOM 400 CG LEU A1079 -4.487 -36.251 12.047 1.00 50.23 C ATOM 401 CD1 LEU A1079 -4.445 -37.269 13.176 1.00 62.34 C ATOM 402 CD2 LEU A1079 -5.402 -35.089 12.409 1.00 2.15 C ATOM 0 H LEU A1079 -1.073 -35.187 10.379 1.00 3.03 H new ATOM 0 HA LEU A1079 -1.720 -37.363 12.129 1.00 55.04 H new ATOM 0 HB2 LEU A1079 -2.680 -35.259 12.619 1.00 3.35 H new ATOM 0 HB3 LEU A1079 -3.157 -34.980 10.956 1.00 3.35 H new ATOM 0 HG LEU A1079 -4.886 -36.740 11.158 1.00 50.23 H new ATOM 0 HD11 LEU A1079 -5.455 -37.618 13.389 1.00 62.34 H new ATOM 0 HD12 LEU A1079 -3.824 -38.114 12.881 1.00 62.34 H new ATOM 0 HD13 LEU A1079 -4.026 -36.805 14.069 1.00 62.34 H new ATOM 0 HD21 LEU A1079 -6.400 -35.467 12.632 1.00 2.15 H new ATOM 0 HD22 LEU A1079 -5.006 -34.572 13.283 1.00 2.15 H new ATOM 0 HD23 LEU A1079 -5.457 -34.394 11.571 1.00 2.15 H new ATOM 414 N LEU A1080 -2.807 -37.398 9.030 1.00 73.14 N ATOM 415 CA LEU A1080 -3.425 -38.237 8.010 1.00 35.22 C ATOM 416 C LEU A1080 -2.566 -39.464 7.720 1.00 53.41 C ATOM 417 O LEU A1080 -3.076 -40.579 7.605 1.00 3.51 O ATOM 418 CB LEU A1080 -3.642 -37.437 6.725 1.00 64.01 C ATOM 419 CG LEU A1080 -4.630 -36.273 6.817 1.00 22.14 C ATOM 420 CD1 LEU A1080 -4.499 -35.364 5.604 1.00 34.24 C ATOM 421 CD2 LEU A1080 -6.054 -36.792 6.946 1.00 23.11 C ATOM 0 H LEU A1080 -2.432 -36.516 8.680 1.00 73.14 H new ATOM 0 HA LEU A1080 -4.390 -38.573 8.388 1.00 35.22 H new ATOM 0 HB2 LEU A1080 -2.679 -37.045 6.398 1.00 64.01 H new ATOM 0 HB3 LEU A1080 -3.988 -38.120 5.949 1.00 64.01 H new ATOM 0 HG LEU A1080 -4.395 -35.691 7.708 1.00 22.14 H new ATOM 0 HD11 LEU A1080 -5.210 -34.542 5.687 1.00 34.24 H new ATOM 0 HD12 LEU A1080 -3.486 -34.965 5.556 1.00 34.24 H new ATOM 0 HD13 LEU A1080 -4.707 -35.934 4.698 1.00 34.24 H new ATOM 0 HD21 LEU A1080 -6.744 -35.950 7.010 1.00 23.11 H new ATOM 0 HD22 LEU A1080 -6.301 -37.398 6.074 1.00 23.11 H new ATOM 0 HD23 LEU A1080 -6.139 -37.400 7.846 1.00 23.11 H new ATOM 433 N LEU A1081 -1.260 -39.250 7.608 1.00 4.14 N ATOM 434 CA LEU A1081 -0.327 -40.339 7.333 1.00 73.14 C ATOM 435 C LEU A1081 -0.198 -41.261 8.541 1.00 15.44 C ATOM 436 O LEU A1081 -0.033 -42.472 8.395 1.00 23.24 O ATOM 437 CB LEU A1081 1.045 -39.778 6.955 1.00 74.32 C ATOM 438 CG LEU A1081 2.084 -39.733 8.077 1.00 53.15 C ATOM 439 CD1 LEU A1081 2.765 -41.084 8.228 1.00 41.40 C ATOM 440 CD2 LEU A1081 3.111 -38.643 7.808 1.00 74.23 C ATOM 0 H LEU A1081 -0.822 -38.334 7.703 1.00 4.14 H new ATOM 0 HA LEU A1081 -0.718 -40.918 6.497 1.00 73.14 H new ATOM 0 HB2 LEU A1081 1.448 -40.377 6.138 1.00 74.32 H new ATOM 0 HB3 LEU A1081 0.909 -38.767 6.572 1.00 74.32 H new ATOM 0 HG LEU A1081 1.573 -39.501 9.011 1.00 53.15 H new ATOM 0 HD11 LEU A1081 3.501 -41.033 9.031 1.00 41.40 H new ATOM 0 HD12 LEU A1081 2.020 -41.843 8.467 1.00 41.40 H new ATOM 0 HD13 LEU A1081 3.264 -41.346 7.295 1.00 41.40 H new ATOM 0 HD21 LEU A1081 3.842 -38.625 8.616 1.00 74.23 H new ATOM 0 HD22 LEU A1081 3.618 -38.845 6.864 1.00 74.23 H new ATOM 0 HD23 LEU A1081 2.610 -37.677 7.751 1.00 74.23 H new ATOM 452 N ILE A1082 -0.275 -40.680 9.734 1.00 31.05 N ATOM 453 CA ILE A1082 -0.169 -41.451 10.967 1.00 51.34 C ATOM 454 C ILE A1082 -1.392 -42.339 11.167 1.00 63.24 C ATOM 455 O ILE A1082 -1.298 -43.425 11.738 1.00 3.02 O ATOM 456 CB ILE A1082 -0.009 -40.532 12.193 1.00 72.32 C ATOM 457 CG1 ILE A1082 1.454 -40.117 12.359 1.00 33.13 C ATOM 458 CG2 ILE A1082 -0.513 -41.230 13.447 1.00 74.34 C ATOM 459 CD1 ILE A1082 1.637 -38.863 13.185 1.00 63.30 C ATOM 0 H ILE A1082 -0.410 -39.679 9.873 1.00 31.05 H new ATOM 0 HA ILE A1082 0.719 -42.076 10.873 1.00 51.34 H new ATOM 0 HB ILE A1082 -0.606 -39.634 12.036 1.00 72.32 H new ATOM 0 HG12 ILE A1082 2.004 -40.934 12.827 1.00 33.13 H new ATOM 0 HG13 ILE A1082 1.893 -39.960 11.374 1.00 33.13 H new ATOM 0 HG21 ILE A1082 -0.393 -40.568 14.305 1.00 74.34 H new ATOM 0 HG22 ILE A1082 -1.567 -41.480 13.326 1.00 74.34 H new ATOM 0 HG23 ILE A1082 0.060 -42.143 13.610 1.00 74.34 H new ATOM 0 HD11 ILE A1082 2.699 -38.629 13.261 1.00 63.30 H new ATOM 0 HD12 ILE A1082 1.116 -38.033 12.707 1.00 63.30 H new ATOM 0 HD13 ILE A1082 1.229 -39.022 14.183 1.00 63.30 H new ATOM 471 N PHE A1083 -2.541 -41.869 10.691 1.00 73.33 N ATOM 472 CA PHE A1083 -3.785 -42.621 10.817 1.00 40.53 C ATOM 473 C PHE A1083 -3.781 -43.836 9.894 1.00 61.13 C ATOM 474 O PHE A1083 -4.215 -44.922 10.279 1.00 74.22 O ATOM 475 CB PHE A1083 -4.982 -41.723 10.493 1.00 34.55 C ATOM 476 CG PHE A1083 -5.780 -41.331 11.703 1.00 32.40 C ATOM 477 CD1 PHE A1083 -5.147 -40.897 12.857 1.00 63.41 C ATOM 478 CD2 PHE A1083 -7.165 -41.397 11.688 1.00 21.15 C ATOM 479 CE1 PHE A1083 -5.880 -40.535 13.972 1.00 10.31 C ATOM 480 CE2 PHE A1083 -7.902 -41.036 12.799 1.00 52.40 C ATOM 481 CZ PHE A1083 -7.259 -40.605 13.943 1.00 32.43 C ATOM 0 H PHE A1083 -2.637 -40.972 10.215 1.00 73.33 H new ATOM 0 HA PHE A1083 -3.869 -42.969 11.846 1.00 40.53 H new ATOM 0 HB2 PHE A1083 -4.626 -40.821 9.995 1.00 34.55 H new ATOM 0 HB3 PHE A1083 -5.634 -42.240 9.789 1.00 34.55 H new ATOM 0 HD1 PHE A1083 -4.069 -40.841 12.886 1.00 63.41 H new ATOM 0 HD2 PHE A1083 -7.673 -41.735 10.797 1.00 21.15 H new ATOM 0 HE1 PHE A1083 -5.375 -40.198 14.865 1.00 10.31 H new ATOM 0 HE2 PHE A1083 -8.980 -41.091 12.773 1.00 52.40 H new ATOM 0 HZ PHE A1083 -7.833 -40.323 14.813 1.00 32.43 H new ATOM 491 N ILE A1084 -3.289 -43.644 8.675 1.00 52.31 N ATOM 492 CA ILE A1084 -3.227 -44.724 7.698 1.00 70.44 C ATOM 493 C ILE A1084 -2.109 -45.704 8.031 1.00 2.04 C ATOM 494 O ILE A1084 -2.235 -46.908 7.805 1.00 43.24 O ATOM 495 CB ILE A1084 -3.013 -44.182 6.273 1.00 44.32 C ATOM 496 CG1 ILE A1084 -4.072 -43.130 5.938 1.00 54.34 C ATOM 497 CG2 ILE A1084 -3.051 -45.318 5.262 1.00 30.12 C ATOM 498 CD1 ILE A1084 -5.433 -43.435 6.523 1.00 55.12 C ATOM 0 H ILE A1084 -2.928 -42.751 8.340 1.00 52.31 H new ATOM 0 HA ILE A1084 -4.185 -45.243 7.740 1.00 70.44 H new ATOM 0 HB ILE A1084 -2.031 -43.711 6.225 1.00 44.32 H new ATOM 0 HG12 ILE A1084 -3.737 -42.160 6.305 1.00 54.34 H new ATOM 0 HG13 ILE A1084 -4.161 -43.048 4.855 1.00 54.34 H new ATOM 0 HG21 ILE A1084 -2.898 -44.918 4.260 1.00 30.12 H new ATOM 0 HG22 ILE A1084 -2.263 -46.035 5.491 1.00 30.12 H new ATOM 0 HG23 ILE A1084 -4.019 -45.816 5.310 1.00 30.12 H new ATOM 0 HD11 ILE A1084 -6.133 -42.647 6.245 1.00 55.12 H new ATOM 0 HD12 ILE A1084 -5.789 -44.390 6.137 1.00 55.12 H new ATOM 0 HD13 ILE A1084 -5.359 -43.488 7.609 1.00 55.12 H new ATOM 510 N VAL A1085 -1.012 -45.182 8.570 1.00 51.33 N ATOM 511 CA VAL A1085 0.129 -46.011 8.938 1.00 12.53 C ATOM 512 C VAL A1085 -0.197 -46.895 10.136 1.00 23.42 C ATOM 513 O VAL A1085 0.356 -47.985 10.285 1.00 14.05 O ATOM 514 CB VAL A1085 1.363 -45.151 9.270 1.00 1.21 C ATOM 515 CG1 VAL A1085 2.413 -45.981 9.994 1.00 1.22 C ATOM 516 CG2 VAL A1085 1.939 -44.535 8.004 1.00 1.01 C ATOM 0 H VAL A1085 -0.890 -44.188 8.762 1.00 51.33 H new ATOM 0 HA VAL A1085 0.354 -46.640 8.077 1.00 12.53 H new ATOM 0 HB VAL A1085 1.053 -44.342 9.932 1.00 1.21 H new ATOM 0 HG11 VAL A1085 3.277 -45.357 10.220 1.00 1.22 H new ATOM 0 HG12 VAL A1085 1.993 -46.370 10.922 1.00 1.22 H new ATOM 0 HG13 VAL A1085 2.721 -46.812 9.359 1.00 1.22 H new ATOM 0 HG21 VAL A1085 2.810 -43.931 8.257 1.00 1.01 H new ATOM 0 HG22 VAL A1085 2.234 -45.327 7.316 1.00 1.01 H new ATOM 0 HG23 VAL A1085 1.186 -43.905 7.531 1.00 1.01 H new ATOM 526 N LEU A1086 -1.100 -46.420 10.987 1.00 32.33 N ATOM 527 CA LEU A1086 -1.502 -47.169 12.173 1.00 52.12 C ATOM 528 C LEU A1086 -2.611 -48.162 11.840 1.00 15.13 C ATOM 529 O LEU A1086 -2.711 -49.225 12.455 1.00 43.22 O ATOM 530 CB LEU A1086 -1.971 -46.211 13.269 1.00 75.55 C ATOM 531 CG LEU A1086 -0.870 -45.500 14.056 1.00 55.23 C ATOM 532 CD1 LEU A1086 -1.473 -44.552 15.081 1.00 41.54 C ATOM 533 CD2 LEU A1086 0.040 -46.513 14.735 1.00 32.51 C ATOM 0 H LEU A1086 -1.568 -45.520 10.878 1.00 32.33 H new ATOM 0 HA LEU A1086 -0.637 -47.727 12.532 1.00 52.12 H new ATOM 0 HB2 LEU A1086 -2.610 -45.455 12.813 1.00 75.55 H new ATOM 0 HB3 LEU A1086 -2.589 -46.770 13.972 1.00 75.55 H new ATOM 0 HG LEU A1086 -0.272 -44.915 13.358 1.00 55.23 H new ATOM 0 HD11 LEU A1086 -0.674 -44.055 15.631 1.00 41.54 H new ATOM 0 HD12 LEU A1086 -2.082 -43.805 14.572 1.00 41.54 H new ATOM 0 HD13 LEU A1086 -2.096 -45.116 15.776 1.00 41.54 H new ATOM 0 HD21 LEU A1086 0.818 -45.989 15.290 1.00 32.51 H new ATOM 0 HD22 LEU A1086 -0.545 -47.126 15.421 1.00 32.51 H new ATOM 0 HD23 LEU A1086 0.500 -47.151 13.981 1.00 32.51 H new ATOM 545 N TYR A1087 -3.439 -47.810 10.864 1.00 31.21 N ATOM 546 CA TYR A1087 -4.542 -48.670 10.449 1.00 30.04 C ATOM 547 C TYR A1087 -4.061 -49.739 9.472 1.00 3.32 C ATOM 548 O TYR A1087 -4.766 -50.710 9.198 1.00 51.20 O ATOM 549 CB TYR A1087 -5.652 -47.838 9.805 1.00 51.33 C ATOM 550 CG TYR A1087 -6.055 -48.325 8.433 1.00 24.41 C ATOM 551 CD1 TYR A1087 -5.391 -47.883 7.294 1.00 32.34 C ATOM 552 CD2 TYR A1087 -7.102 -49.225 8.272 1.00 54.52 C ATOM 553 CE1 TYR A1087 -5.756 -48.326 6.038 1.00 65.43 C ATOM 554 CE2 TYR A1087 -7.473 -49.673 7.020 1.00 24.43 C ATOM 555 CZ TYR A1087 -6.798 -49.220 5.905 1.00 13.14 C ATOM 556 OH TYR A1087 -7.165 -49.663 4.656 1.00 22.44 O ATOM 0 H TYR A1087 -3.368 -46.935 10.345 1.00 31.21 H new ATOM 0 HA TYR A1087 -4.937 -49.165 11.337 1.00 30.04 H new ATOM 0 HB2 TYR A1087 -6.526 -47.848 10.456 1.00 51.33 H new ATOM 0 HB3 TYR A1087 -5.321 -46.802 9.731 1.00 51.33 H new ATOM 0 HD1 TYR A1087 -4.576 -47.181 7.393 1.00 32.34 H new ATOM 0 HD2 TYR A1087 -7.635 -49.580 9.142 1.00 54.52 H new ATOM 0 HE1 TYR A1087 -5.228 -47.974 5.164 1.00 65.43 H new ATOM 0 HE2 TYR A1087 -8.287 -50.374 6.914 1.00 24.43 H new ATOM 0 HH TYR A1087 -7.915 -50.289 4.738 1.00 22.44 H new ATOM 566 N LYS A1088 -2.853 -49.553 8.950 1.00 3.34 N ATOM 567 CA LYS A1088 -2.274 -50.501 8.005 1.00 42.32 C ATOM 568 C LYS A1088 -1.253 -51.401 8.693 1.00 43.12 C ATOM 569 O LYS A1088 -1.036 -52.540 8.279 1.00 75.42 O ATOM 570 CB LYS A1088 -1.610 -49.754 6.845 1.00 44.52 C ATOM 571 CG LYS A1088 -0.253 -49.168 7.195 1.00 54.03 C ATOM 572 CD LYS A1088 0.388 -48.489 5.997 1.00 21.12 C ATOM 573 CE LYS A1088 -0.449 -47.317 5.507 1.00 22.03 C ATOM 574 NZ LYS A1088 0.172 -46.646 4.331 1.00 30.42 N ATOM 0 H LYS A1088 -2.256 -48.754 9.165 1.00 3.34 H new ATOM 0 HA LYS A1088 -3.079 -51.125 7.616 1.00 42.32 H new ATOM 0 HB2 LYS A1088 -1.495 -50.436 6.003 1.00 44.52 H new ATOM 0 HB3 LYS A1088 -2.269 -48.951 6.517 1.00 44.52 H new ATOM 0 HG2 LYS A1088 -0.365 -48.448 8.005 1.00 54.03 H new ATOM 0 HG3 LYS A1088 0.403 -49.959 7.560 1.00 54.03 H new ATOM 0 HD2 LYS A1088 1.384 -48.139 6.266 1.00 21.12 H new ATOM 0 HD3 LYS A1088 0.511 -49.212 5.191 1.00 21.12 H new ATOM 0 HE2 LYS A1088 -1.446 -47.669 5.240 1.00 22.03 H new ATOM 0 HE3 LYS A1088 -0.571 -46.595 6.315 1.00 22.03 H new ATOM 0 HZ1 LYS A1088 -0.428 -45.853 4.027 1.00 30.42 H new ATOM 0 HZ2 LYS A1088 1.113 -46.288 4.592 1.00 30.42 H new ATOM 0 HZ3 LYS A1088 0.266 -47.328 3.551 1.00 30.42 H new ATOM 588 N VAL A1089 -0.630 -50.884 9.748 1.00 44.11 N ATOM 589 CA VAL A1089 0.364 -51.643 10.496 1.00 1.55 C ATOM 590 C VAL A1089 -0.296 -52.698 11.375 1.00 50.40 C ATOM 591 O VAL A1089 0.270 -53.764 11.615 1.00 70.52 O ATOM 592 CB VAL A1089 1.227 -50.721 11.378 1.00 51.33 C ATOM 593 CG1 VAL A1089 1.799 -51.492 12.558 1.00 21.53 C ATOM 594 CG2 VAL A1089 2.339 -50.085 10.558 1.00 5.02 C ATOM 0 H VAL A1089 -0.797 -49.943 10.103 1.00 44.11 H new ATOM 0 HA VAL A1089 1.003 -52.135 9.763 1.00 1.55 H new ATOM 0 HB VAL A1089 0.593 -49.924 11.767 1.00 51.33 H new ATOM 0 HG11 VAL A1089 2.406 -50.824 13.169 1.00 21.53 H new ATOM 0 HG12 VAL A1089 0.984 -51.894 13.159 1.00 21.53 H new ATOM 0 HG13 VAL A1089 2.418 -52.311 12.192 1.00 21.53 H new ATOM 0 HG21 VAL A1089 2.938 -49.437 11.198 1.00 5.02 H new ATOM 0 HG22 VAL A1089 2.973 -50.866 10.137 1.00 5.02 H new ATOM 0 HG23 VAL A1089 1.904 -49.496 9.751 1.00 5.02 H new ATOM 604 N GLY A1090 -1.498 -52.394 11.855 1.00 44.35 N ATOM 605 CA GLY A1090 -2.216 -53.326 12.703 1.00 61.53 C ATOM 606 C GLY A1090 -2.760 -52.670 13.957 1.00 45.31 C ATOM 607 O GLY A1090 -3.544 -53.271 14.692 1.00 10.42 O ATOM 0 H GLY A1090 -1.987 -51.518 11.671 1.00 44.35 H new ATOM 0 HA2 GLY A1090 -3.040 -53.764 12.140 1.00 61.53 H new ATOM 0 HA3 GLY A1090 -1.551 -54.143 12.983 1.00 61.53 H new ATOM 611 N PHE A1091 -2.344 -51.432 14.202 1.00 11.33 N ATOM 612 CA PHE A1091 -2.792 -50.693 15.377 1.00 15.31 C ATOM 613 C PHE A1091 -4.311 -50.545 15.380 1.00 31.35 C ATOM 614 O PHE A1091 -4.996 -51.086 16.248 1.00 54.22 O ATOM 615 CB PHE A1091 -2.133 -49.313 15.420 1.00 64.42 C ATOM 616 CG PHE A1091 -1.217 -49.121 16.595 1.00 22.11 C ATOM 617 CD1 PHE A1091 -0.172 -50.001 16.825 1.00 22.20 C ATOM 618 CD2 PHE A1091 -1.401 -48.062 17.469 1.00 64.11 C ATOM 619 CE1 PHE A1091 0.673 -49.828 17.905 1.00 4.42 C ATOM 620 CE2 PHE A1091 -0.559 -47.884 18.549 1.00 41.51 C ATOM 621 CZ PHE A1091 0.479 -48.768 18.768 1.00 74.31 C ATOM 0 H PHE A1091 -1.697 -50.919 13.603 1.00 11.33 H new ATOM 0 HA PHE A1091 -2.498 -51.256 16.263 1.00 15.31 H new ATOM 0 HB2 PHE A1091 -1.568 -49.161 14.501 1.00 64.42 H new ATOM 0 HB3 PHE A1091 -2.910 -48.549 15.447 1.00 64.42 H new ATOM 0 HD1 PHE A1091 -0.016 -50.832 16.153 1.00 22.20 H new ATOM 0 HD2 PHE A1091 -2.212 -47.368 17.304 1.00 64.11 H new ATOM 0 HE1 PHE A1091 1.484 -50.521 18.074 1.00 4.42 H new ATOM 0 HE2 PHE A1091 -0.712 -47.054 19.222 1.00 41.51 H new ATOM 0 HZ PHE A1091 1.138 -48.630 19.613 1.00 74.31 H new ATOM 631 N PHE A1092 -4.829 -49.809 14.403 1.00 32.20 N ATOM 632 CA PHE A1092 -6.266 -49.589 14.293 1.00 64.44 C ATOM 633 C PHE A1092 -6.936 -50.732 13.537 1.00 71.20 C ATOM 634 O PHE A1092 -8.150 -50.920 13.620 1.00 34.31 O ATOM 635 CB PHE A1092 -6.547 -48.261 13.585 1.00 63.32 C ATOM 636 CG PHE A1092 -6.570 -47.081 14.513 1.00 44.02 C ATOM 637 CD1 PHE A1092 -5.394 -46.572 15.038 1.00 70.11 C ATOM 638 CD2 PHE A1092 -7.769 -46.479 14.859 1.00 74.13 C ATOM 639 CE1 PHE A1092 -5.412 -45.485 15.891 1.00 13.43 C ATOM 640 CE2 PHE A1092 -7.794 -45.392 15.713 1.00 24.52 C ATOM 641 CZ PHE A1092 -6.614 -44.895 16.230 1.00 32.10 C ATOM 0 H PHE A1092 -4.276 -49.355 13.676 1.00 32.20 H new ATOM 0 HA PHE A1092 -6.680 -49.552 15.301 1.00 64.44 H new ATOM 0 HB2 PHE A1092 -5.787 -48.098 12.821 1.00 63.32 H new ATOM 0 HB3 PHE A1092 -7.506 -48.328 13.071 1.00 63.32 H new ATOM 0 HD1 PHE A1092 -4.451 -47.030 14.778 1.00 70.11 H new ATOM 0 HD2 PHE A1092 -8.695 -46.863 14.457 1.00 74.13 H new ATOM 0 HE1 PHE A1092 -4.487 -45.097 16.292 1.00 13.43 H new ATOM 0 HE2 PHE A1092 -8.735 -44.932 15.975 1.00 24.52 H new ATOM 0 HZ PHE A1092 -6.631 -44.047 16.898 1.00 32.10 H new ATOM 651 N LYS A1093 -6.136 -51.494 12.799 1.00 22.32 N ATOM 652 CA LYS A1093 -6.648 -52.620 12.027 1.00 31.41 C ATOM 653 C LYS A1093 -7.502 -53.535 12.901 1.00 65.11 C ATOM 654 O LYS A1093 -7.007 -54.140 13.852 1.00 42.23 O ATOM 655 CB LYS A1093 -5.491 -53.416 11.417 1.00 63.44 C ATOM 656 CG LYS A1093 -5.922 -54.357 10.306 1.00 32.25 C ATOM 657 CD LYS A1093 -5.225 -54.030 8.996 1.00 1.10 C ATOM 658 CE LYS A1093 -5.383 -55.154 7.984 1.00 3.45 C ATOM 659 NZ LYS A1093 -4.602 -56.361 8.372 1.00 30.54 N ATOM 0 H LYS A1093 -5.129 -51.352 12.719 1.00 22.32 H new ATOM 0 HA LYS A1093 -7.272 -52.225 11.225 1.00 31.41 H new ATOM 0 HB2 LYS A1093 -4.749 -52.720 11.026 1.00 63.44 H new ATOM 0 HB3 LYS A1093 -5.004 -53.993 12.203 1.00 63.44 H new ATOM 0 HG2 LYS A1093 -5.698 -55.385 10.591 1.00 32.25 H new ATOM 0 HG3 LYS A1093 -7.002 -54.291 10.171 1.00 32.25 H new ATOM 0 HD2 LYS A1093 -5.636 -53.108 8.584 1.00 1.10 H new ATOM 0 HD3 LYS A1093 -4.166 -53.852 9.181 1.00 1.10 H new ATOM 0 HE2 LYS A1093 -6.437 -55.417 7.894 1.00 3.45 H new ATOM 0 HE3 LYS A1093 -5.056 -54.809 7.003 1.00 3.45 H new ATOM 0 HZ1 LYS A1093 -4.495 -56.985 7.547 1.00 30.54 H new ATOM 0 HZ2 LYS A1093 -3.662 -56.072 8.711 1.00 30.54 H new ATOM 0 HZ3 LYS A1093 -5.102 -56.870 9.129 1.00 30.54 H new ATOM 673 N ARG A1094 -8.786 -53.630 12.571 1.00 31.23 N ATOM 674 CA ARG A1094 -9.708 -54.472 13.325 1.00 54.53 C ATOM 675 C ARG A1094 -9.228 -55.919 13.350 1.00 3.02 C ATOM 676 O ARG A1094 -8.818 -56.465 12.326 1.00 5.31 O ATOM 677 CB ARG A1094 -11.111 -54.397 12.720 1.00 21.23 C ATOM 678 CG ARG A1094 -11.679 -52.989 12.668 1.00 3.13 C ATOM 679 CD ARG A1094 -12.416 -52.637 13.951 1.00 30.31 C ATOM 680 NE ARG A1094 -12.658 -51.203 14.067 1.00 41.04 N ATOM 681 CZ ARG A1094 -13.570 -50.674 14.876 1.00 11.14 C ATOM 682 NH1 ARG A1094 -14.321 -51.459 15.637 1.00 43.21 N ATOM 683 NH2 ARG A1094 -13.731 -49.359 14.926 1.00 52.44 N ATOM 0 H ARG A1094 -9.211 -53.135 11.787 1.00 31.23 H new ATOM 0 HA ARG A1094 -9.742 -54.103 14.350 1.00 54.53 H new ATOM 0 HB2 ARG A1094 -11.084 -54.806 11.710 1.00 21.23 H new ATOM 0 HB3 ARG A1094 -11.782 -55.029 13.302 1.00 21.23 H new ATOM 0 HG2 ARG A1094 -10.871 -52.276 12.504 1.00 3.13 H new ATOM 0 HG3 ARG A1094 -12.359 -52.901 11.821 1.00 3.13 H new ATOM 0 HD2 ARG A1094 -13.367 -53.169 13.980 1.00 30.31 H new ATOM 0 HD3 ARG A1094 -11.834 -52.977 14.808 1.00 30.31 H new ATOM 0 HE ARG A1094 -12.096 -50.572 13.496 1.00 41.04 H new ATOM 0 HH11 ARG A1094 -14.199 -52.471 15.602 1.00 43.21 H new ATOM 0 HH12 ARG A1094 -15.020 -51.051 16.257 1.00 43.21 H new ATOM 0 HH21 ARG A1094 -13.155 -48.752 14.343 1.00 52.44 H new ATOM 0 HH22 ARG A1094 -14.431 -48.954 15.547 1.00 52.44 H new ATOM 697 N ASN A1095 -9.280 -56.535 14.526 1.00 73.11 N ATOM 698 CA ASN A1095 -8.850 -57.919 14.684 1.00 34.34 C ATOM 699 C ASN A1095 -9.218 -58.450 16.066 1.00 64.23 C ATOM 700 O ASN A1095 -9.506 -57.679 16.983 1.00 24.33 O ATOM 701 CB ASN A1095 -7.340 -58.034 14.467 1.00 52.31 C ATOM 702 CG ASN A1095 -6.922 -59.422 14.023 1.00 22.22 C ATOM 703 OD1 ASN A1095 -6.260 -60.151 14.763 1.00 44.03 O ATOM 704 ND2 ASN A1095 -7.309 -59.796 12.808 1.00 53.11 N ATOM 0 H ASN A1095 -9.616 -56.097 15.384 1.00 73.11 H new ATOM 0 HA ASN A1095 -9.365 -58.520 13.935 1.00 34.34 H new ATOM 0 HB2 ASN A1095 -7.027 -57.307 13.718 1.00 52.31 H new ATOM 0 HB3 ASN A1095 -6.823 -57.781 15.392 1.00 52.31 H new ATOM 0 HD21 ASN A1095 -7.059 -60.720 12.455 1.00 53.11 H new ATOM 0 HD22 ASN A1095 -7.857 -59.160 12.229 1.00 53.11 H new ATOM 711 N LEU A1096 -9.208 -59.771 16.210 1.00 3.34 N ATOM 712 CA LEU A1096 -9.540 -60.406 17.481 1.00 5.33 C ATOM 713 C LEU A1096 -8.564 -59.980 18.573 1.00 63.21 C ATOM 714 O LEU A1096 -7.487 -60.558 18.718 1.00 51.10 O ATOM 715 CB LEU A1096 -9.524 -61.928 17.332 1.00 65.21 C ATOM 716 CG LEU A1096 -9.980 -62.725 18.554 1.00 21.33 C ATOM 717 CD1 LEU A1096 -11.395 -62.333 18.952 1.00 5.45 C ATOM 718 CD2 LEU A1096 -9.898 -64.220 18.277 1.00 1.20 C ATOM 0 H LEU A1096 -8.973 -60.423 15.462 1.00 3.34 H new ATOM 0 HA LEU A1096 -10.541 -60.086 17.769 1.00 5.33 H new ATOM 0 HB2 LEU A1096 -10.160 -62.198 16.489 1.00 65.21 H new ATOM 0 HB3 LEU A1096 -8.510 -62.238 17.078 1.00 65.21 H new ATOM 0 HG LEU A1096 -9.313 -62.491 19.384 1.00 21.33 H new ATOM 0 HD11 LEU A1096 -11.701 -62.911 19.824 1.00 5.45 H new ATOM 0 HD12 LEU A1096 -11.424 -61.270 19.193 1.00 5.45 H new ATOM 0 HD13 LEU A1096 -12.075 -62.536 18.125 1.00 5.45 H new ATOM 0 HD21 LEU A1096 -10.226 -64.772 19.158 1.00 1.20 H new ATOM 0 HD22 LEU A1096 -10.540 -64.469 17.432 1.00 1.20 H new ATOM 0 HD23 LEU A1096 -8.869 -64.491 18.042 1.00 1.20 H new ATOM 730 N LYS A1097 -8.949 -58.966 19.342 1.00 25.23 N ATOM 731 CA LYS A1097 -8.111 -58.465 20.424 1.00 42.22 C ATOM 732 C LYS A1097 -8.843 -58.545 21.759 1.00 54.43 C ATOM 733 O LYS A1097 -8.310 -59.068 22.739 1.00 64.03 O ATOM 734 CB LYS A1097 -7.693 -57.019 20.145 1.00 33.30 C ATOM 735 CG LYS A1097 -6.671 -56.886 19.030 1.00 3.25 C ATOM 736 CD LYS A1097 -6.026 -55.510 19.025 1.00 14.12 C ATOM 737 CE LYS A1097 -5.402 -55.191 17.675 1.00 51.00 C ATOM 738 NZ LYS A1097 -3.986 -55.644 17.598 1.00 20.13 N ATOM 0 H LYS A1097 -9.837 -58.475 19.235 1.00 25.23 H new ATOM 0 HA LYS A1097 -7.220 -59.090 20.480 1.00 42.22 H new ATOM 0 HB2 LYS A1097 -8.578 -56.437 19.887 1.00 33.30 H new ATOM 0 HB3 LYS A1097 -7.282 -56.586 21.057 1.00 33.30 H new ATOM 0 HG2 LYS A1097 -5.902 -57.649 19.148 1.00 3.25 H new ATOM 0 HG3 LYS A1097 -7.154 -57.066 18.069 1.00 3.25 H new ATOM 0 HD2 LYS A1097 -6.774 -54.756 19.268 1.00 14.12 H new ATOM 0 HD3 LYS A1097 -5.262 -55.463 19.801 1.00 14.12 H new ATOM 0 HE2 LYS A1097 -5.980 -55.671 16.885 1.00 51.00 H new ATOM 0 HE3 LYS A1097 -5.450 -54.117 17.498 1.00 51.00 H new ATOM 0 HZ1 LYS A1097 -3.597 -55.408 16.663 1.00 20.13 H new ATOM 0 HZ2 LYS A1097 -3.428 -55.167 18.335 1.00 20.13 H new ATOM 0 HZ3 LYS A1097 -3.942 -56.673 17.742 1.00 20.13 H new ATOM 752 N GLU A1098 -10.066 -58.025 21.792 1.00 33.35 N ATOM 753 CA GLU A1098 -10.869 -58.039 23.008 1.00 35.31 C ATOM 754 C GLU A1098 -10.201 -57.224 24.111 1.00 55.44 C ATOM 755 O GLU A1098 -10.227 -57.603 25.282 1.00 55.44 O ATOM 756 CB GLU A1098 -11.089 -59.478 23.485 1.00 44.53 C ATOM 757 CG GLU A1098 -12.351 -59.658 24.311 1.00 23.14 C ATOM 758 CD GLU A1098 -12.768 -61.111 24.428 1.00 24.53 C ATOM 759 OE1 GLU A1098 -12.668 -61.841 23.419 1.00 60.03 O ATOM 760 OE2 GLU A1098 -13.195 -61.519 25.528 1.00 40.22 O ATOM 0 H GLU A1098 -10.522 -57.589 20.990 1.00 33.35 H new ATOM 0 HA GLU A1098 -11.834 -57.587 22.780 1.00 35.31 H new ATOM 0 HB2 GLU A1098 -11.135 -60.136 22.618 1.00 44.53 H new ATOM 0 HB3 GLU A1098 -10.229 -59.791 24.077 1.00 44.53 H new ATOM 0 HG2 GLU A1098 -12.190 -59.249 25.308 1.00 23.14 H new ATOM 0 HG3 GLU A1098 -13.162 -59.086 23.859 1.00 23.14 H new ATOM 767 N LYS A1099 -9.603 -56.101 23.729 1.00 4.04 N ATOM 768 CA LYS A1099 -8.927 -55.229 24.683 1.00 32.23 C ATOM 769 C LYS A1099 -9.644 -53.888 24.797 1.00 22.00 C ATOM 770 O LYS A1099 -9.207 -52.890 24.224 1.00 41.13 O ATOM 771 CB LYS A1099 -7.473 -55.008 24.262 1.00 30.13 C ATOM 772 CG LYS A1099 -6.555 -54.640 25.415 1.00 71.15 C ATOM 773 CD LYS A1099 -5.151 -54.318 24.931 1.00 63.53 C ATOM 774 CE LYS A1099 -5.029 -52.863 24.506 1.00 42.31 C ATOM 775 NZ LYS A1099 -4.633 -51.985 25.642 1.00 0.23 N ATOM 0 H LYS A1099 -9.573 -55.773 22.764 1.00 4.04 H new ATOM 0 HA LYS A1099 -8.946 -55.715 25.658 1.00 32.23 H new ATOM 0 HB2 LYS A1099 -7.099 -55.915 23.786 1.00 30.13 H new ATOM 0 HB3 LYS A1099 -7.437 -54.217 23.513 1.00 30.13 H new ATOM 0 HG2 LYS A1099 -6.964 -53.780 25.946 1.00 71.15 H new ATOM 0 HG3 LYS A1099 -6.515 -55.465 26.127 1.00 71.15 H new ATOM 0 HD2 LYS A1099 -4.434 -54.528 25.725 1.00 63.53 H new ATOM 0 HD3 LYS A1099 -4.896 -54.966 24.092 1.00 63.53 H new ATOM 0 HE2 LYS A1099 -4.292 -52.778 23.707 1.00 42.31 H new ATOM 0 HE3 LYS A1099 -5.981 -52.523 24.098 1.00 42.31 H new ATOM 0 HZ1 LYS A1099 -4.445 -51.025 25.290 1.00 0.23 H new ATOM 0 HZ2 LYS A1099 -5.403 -51.953 26.341 1.00 0.23 H new ATOM 0 HZ3 LYS A1099 -3.774 -52.363 26.090 1.00 0.23 H new ATOM 789 N MET A1100 -10.746 -53.872 25.539 1.00 2.11 N ATOM 790 CA MET A1100 -11.521 -52.651 25.730 1.00 70.32 C ATOM 791 C MET A1100 -10.729 -51.624 26.532 1.00 45.24 C ATOM 792 O MET A1100 -10.233 -51.920 27.618 1.00 64.11 O ATOM 793 CB MET A1100 -12.840 -52.965 26.441 1.00 51.40 C ATOM 794 CG MET A1100 -13.756 -51.761 26.579 1.00 43.23 C ATOM 795 SD MET A1100 -14.743 -51.464 25.099 1.00 11.43 S ATOM 796 CE MET A1100 -16.390 -51.790 25.719 1.00 62.41 C ATOM 0 H MET A1100 -11.123 -54.690 26.018 1.00 2.11 H new ATOM 0 HA MET A1100 -11.737 -52.230 24.748 1.00 70.32 H new ATOM 0 HB2 MET A1100 -13.362 -53.748 25.891 1.00 51.40 H new ATOM 0 HB3 MET A1100 -12.623 -53.362 27.433 1.00 51.40 H new ATOM 0 HG2 MET A1100 -14.421 -51.911 27.430 1.00 43.23 H new ATOM 0 HG3 MET A1100 -13.157 -50.876 26.795 1.00 43.23 H new ATOM 0 HE1 MET A1100 -17.115 -51.648 24.918 1.00 62.41 H new ATOM 0 HE2 MET A1100 -16.446 -52.817 26.081 1.00 62.41 H new ATOM 0 HE3 MET A1100 -16.613 -51.104 26.536 1.00 62.41 H new ATOM 806 N GLU A1101 -10.615 -50.416 25.988 1.00 65.21 N ATOM 807 CA GLU A1101 -9.882 -49.345 26.653 1.00 31.13 C ATOM 808 C GLU A1101 -10.803 -48.171 26.972 1.00 3.14 C ATOM 809 O GLU A1101 -10.622 -47.069 26.454 1.00 35.01 O ATOM 810 CB GLU A1101 -8.719 -48.873 25.778 1.00 53.30 C ATOM 811 CG GLU A1101 -7.489 -49.763 25.868 1.00 61.34 C ATOM 812 CD GLU A1101 -6.671 -49.756 24.592 1.00 23.24 C ATOM 813 OE1 GLU A1101 -7.126 -50.353 23.593 1.00 33.32 O ATOM 814 OE2 GLU A1101 -5.576 -49.155 24.591 1.00 74.12 O ATOM 0 H GLU A1101 -11.021 -50.155 25.089 1.00 65.21 H new ATOM 0 HA GLU A1101 -9.486 -49.738 27.590 1.00 31.13 H new ATOM 0 HB2 GLU A1101 -9.050 -48.829 24.741 1.00 53.30 H new ATOM 0 HB3 GLU A1101 -8.445 -47.859 26.068 1.00 53.30 H new ATOM 0 HG2 GLU A1101 -6.865 -49.431 26.697 1.00 61.34 H new ATOM 0 HG3 GLU A1101 -7.799 -50.784 26.091 1.00 61.34 H new ATOM 821 N ALA A1102 -11.791 -48.416 27.826 1.00 2.50 N ATOM 822 CA ALA A1102 -12.740 -47.380 28.214 1.00 1.44 C ATOM 823 C ALA A1102 -12.179 -46.515 29.338 1.00 14.14 C ATOM 824 O ALA A1102 -12.519 -46.699 30.505 1.00 73.14 O ATOM 825 CB ALA A1102 -14.061 -48.005 28.636 1.00 61.21 C ATOM 0 H ALA A1102 -11.955 -49.323 28.262 1.00 2.50 H new ATOM 0 HA ALA A1102 -12.914 -46.739 27.350 1.00 1.44 H new ATOM 0 HB1 ALA A1102 -14.760 -47.219 28.923 1.00 61.21 H new ATOM 0 HB2 ALA A1102 -14.476 -48.574 27.804 1.00 61.21 H new ATOM 0 HB3 ALA A1102 -13.895 -48.670 29.483 1.00 61.21 H new ATOM 831 N GLY A1103 -11.314 -45.571 28.977 1.00 10.11 N ATOM 832 CA GLY A1103 -10.719 -44.693 29.967 1.00 42.03 C ATOM 833 C GLY A1103 -9.770 -43.684 29.351 1.00 62.22 C ATOM 834 O GLY A1103 -9.470 -43.792 28.164 1.00 64.03 O ATOM 0 H GLY A1103 -11.015 -45.399 28.017 1.00 10.11 H new ATOM 0 HA2 GLY A1103 -11.509 -44.165 30.502 1.00 42.03 H new ATOM 0 HA3 GLY A1103 -10.181 -45.291 30.702 1.00 42.03 H new TER 838 GLY A1103