USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=11 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 Set 1.1: A1062 LYS NZ :NH3+ 170:sc= 0.0411 (180deg=0) USER MOD Set 1.2: A1066 TYR OH : rot 180:sc= 0.0299 USER MOD Single : A1054 SER OG : rot 22:sc= 0.367 USER MOD Single : A1055 ASN : amide:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A1060 TYR OH : rot 180:sc= 0 USER MOD Single : A1063 GLN : amide:sc= -1.54! C(o=-1.5!,f=-2.8!) USER MOD Single : A1064 MET CE :methyl -141:sc= -1.25 (180deg=-4.32!) 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+ 154:sc= -0.436 (180deg=-1.49!) USER MOD Single : A1093 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1095 ASN : amide:sc= -0.0481 K(o=-0.048,f=-0.97) USER MOD Single : A1097 LYS NZ :NH3+ -161:sc= -0.0455 (180deg=-0.318) USER MOD Single : A1099 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1100 MET CE :methyl 162:sc= -0.0752 (180deg=-0.547) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A1054 1.917 1.270 10.817 1.00 5.41 N ATOM 2 CA SER A1054 0.973 2.233 10.261 1.00 0.11 C ATOM 3 C SER A1054 1.127 2.331 8.745 1.00 74.22 C ATOM 4 O SER A1054 2.225 2.554 8.236 1.00 30.25 O ATOM 5 CB SER A1054 1.181 3.609 10.895 1.00 75.31 C ATOM 6 OG SER A1054 2.405 4.186 10.473 1.00 14.44 O ATOM 0 HA SER A1054 -0.036 1.886 10.486 1.00 0.11 H new ATOM 0 HB2 SER A1054 0.354 4.266 10.625 1.00 75.31 H new ATOM 0 HB3 SER A1054 1.174 3.517 11.981 1.00 75.31 H new ATOM 0 HG SER A1054 2.689 3.772 9.631 1.00 14.44 H new ATOM 12 N ASN A1055 0.019 2.163 8.033 1.00 0.25 N ATOM 13 CA ASN A1055 0.029 2.231 6.575 1.00 54.13 C ATOM 14 C ASN A1055 0.986 1.198 5.989 1.00 4.22 C ATOM 15 O ASN A1055 1.700 1.475 5.026 1.00 32.23 O ATOM 16 CB ASN A1055 0.429 3.634 6.114 1.00 52.31 C ATOM 17 CG ASN A1055 -0.655 4.661 6.375 1.00 24.41 C ATOM 18 OD1 ASN A1055 -0.440 5.637 7.095 1.00 23.32 O ATOM 19 ND2 ASN A1055 -1.828 4.444 5.791 1.00 65.35 N ATOM 0 H ASN A1055 -0.898 1.979 8.440 1.00 0.25 H new ATOM 0 HA ASN A1055 -0.977 2.011 6.218 1.00 54.13 H new ATOM 0 HB2 ASN A1055 1.342 3.935 6.628 1.00 52.31 H new ATOM 0 HB3 ASN A1055 0.655 3.612 5.048 1.00 52.31 H new ATOM 0 HD21 ASN A1055 -2.596 5.100 5.931 1.00 65.35 H new ATOM 0 HD22 ASN A1055 -1.960 3.621 5.203 1.00 65.35 H new ATOM 26 N ALA A1056 0.993 0.006 6.577 1.00 20.31 N ATOM 27 CA ALA A1056 1.860 -1.070 6.111 1.00 11.11 C ATOM 28 C ALA A1056 1.177 -2.426 6.255 1.00 60.53 C ATOM 29 O ALA A1056 0.148 -2.546 6.920 1.00 41.31 O ATOM 30 CB ALA A1056 3.176 -1.055 6.874 1.00 23.11 C ATOM 0 H ALA A1056 0.409 -0.239 7.376 1.00 20.31 H new ATOM 0 HA ALA A1056 2.065 -0.907 5.053 1.00 11.11 H new ATOM 0 HB1 ALA A1056 3.813 -1.863 6.516 1.00 23.11 H new ATOM 0 HB2 ALA A1056 3.677 -0.100 6.716 1.00 23.11 H new ATOM 0 HB3 ALA A1056 2.981 -1.191 7.938 1.00 23.11 H new ATOM 36 N ASP A1057 1.757 -3.444 5.631 1.00 1.21 N ATOM 37 CA ASP A1057 1.205 -4.792 5.690 1.00 24.23 C ATOM 38 C ASP A1057 1.934 -5.633 6.734 1.00 41.10 C ATOM 39 O ASP A1057 1.808 -6.857 6.758 1.00 63.54 O ATOM 40 CB ASP A1057 1.298 -5.466 4.320 1.00 42.33 C ATOM 41 CG ASP A1057 0.288 -6.585 4.155 1.00 13.31 C ATOM 42 OD1 ASP A1057 0.572 -7.712 4.610 1.00 61.15 O ATOM 43 OD2 ASP A1057 -0.786 -6.334 3.569 1.00 44.03 O ATOM 0 H ASP A1057 2.610 -3.362 5.078 1.00 1.21 H new ATOM 0 HA ASP A1057 0.157 -4.715 5.978 1.00 24.23 H new ATOM 0 HB2 ASP A1057 1.141 -4.721 3.540 1.00 42.33 H new ATOM 0 HB3 ASP A1057 2.303 -5.864 4.182 1.00 42.33 H new ATOM 48 N VAL A1058 2.698 -4.967 7.594 1.00 53.33 N ATOM 49 CA VAL A1058 3.447 -5.652 8.639 1.00 75.34 C ATOM 50 C VAL A1058 3.656 -4.747 9.849 1.00 53.41 C ATOM 51 O VAL A1058 4.668 -4.053 9.950 1.00 40.23 O ATOM 52 CB VAL A1058 4.819 -6.129 8.126 1.00 72.42 C ATOM 53 CG1 VAL A1058 4.678 -7.438 7.365 1.00 54.40 C ATOM 54 CG2 VAL A1058 5.463 -5.062 7.254 1.00 63.02 C ATOM 0 H VAL A1058 2.814 -3.954 7.587 1.00 53.33 H new ATOM 0 HA VAL A1058 2.856 -6.519 8.935 1.00 75.34 H new ATOM 0 HB VAL A1058 5.468 -6.303 8.984 1.00 72.42 H new ATOM 0 HG11 VAL A1058 5.657 -7.760 7.010 1.00 54.40 H new ATOM 0 HG12 VAL A1058 4.263 -8.200 8.025 1.00 54.40 H new ATOM 0 HG13 VAL A1058 4.013 -7.294 6.514 1.00 54.40 H new ATOM 0 HG21 VAL A1058 6.431 -5.416 6.901 1.00 63.02 H new ATOM 0 HG22 VAL A1058 4.819 -4.853 6.400 1.00 63.02 H new ATOM 0 HG23 VAL A1058 5.601 -4.151 7.836 1.00 63.02 H new ATOM 64 N VAL A1059 2.693 -4.760 10.765 1.00 42.40 N ATOM 65 CA VAL A1059 2.772 -3.941 11.968 1.00 72.21 C ATOM 66 C VAL A1059 4.037 -4.251 12.762 1.00 25.10 C ATOM 67 O VAL A1059 4.516 -3.421 13.535 1.00 64.00 O ATOM 68 CB VAL A1059 1.545 -4.155 12.874 1.00 24.42 C ATOM 69 CG1 VAL A1059 1.618 -3.253 14.096 1.00 73.42 C ATOM 70 CG2 VAL A1059 0.260 -3.910 12.097 1.00 14.13 C ATOM 0 H VAL A1059 1.849 -5.329 10.697 1.00 42.40 H new ATOM 0 HA VAL A1059 2.797 -2.901 11.642 1.00 72.21 H new ATOM 0 HB VAL A1059 1.545 -5.190 13.216 1.00 24.42 H new ATOM 0 HG11 VAL A1059 0.742 -3.419 14.724 1.00 73.42 H new ATOM 0 HG12 VAL A1059 2.520 -3.482 14.664 1.00 73.42 H new ATOM 0 HG13 VAL A1059 1.644 -2.211 13.778 1.00 73.42 H new ATOM 0 HG21 VAL A1059 -0.597 -4.066 12.752 1.00 14.13 H new ATOM 0 HG22 VAL A1059 0.250 -2.886 11.724 1.00 14.13 H new ATOM 0 HG23 VAL A1059 0.205 -4.603 11.257 1.00 14.13 H new ATOM 80 N TYR A1060 4.573 -5.449 12.565 1.00 21.44 N ATOM 81 CA TYR A1060 5.781 -5.871 13.264 1.00 51.42 C ATOM 82 C TYR A1060 6.828 -6.384 12.280 1.00 42.34 C ATOM 83 O TYR A1060 7.514 -7.370 12.546 1.00 3.43 O ATOM 84 CB TYR A1060 5.451 -6.958 14.288 1.00 2.11 C ATOM 85 CG TYR A1060 4.505 -6.500 15.374 1.00 74.14 C ATOM 86 CD1 TYR A1060 3.133 -6.460 15.158 1.00 75.52 C ATOM 87 CD2 TYR A1060 4.984 -6.107 16.619 1.00 10.20 C ATOM 88 CE1 TYR A1060 2.266 -6.042 16.149 1.00 40.14 C ATOM 89 CE2 TYR A1060 4.124 -5.688 17.616 1.00 11.31 C ATOM 90 CZ TYR A1060 2.766 -5.657 17.376 1.00 50.42 C ATOM 91 OH TYR A1060 1.905 -5.240 18.365 1.00 74.14 O ATOM 0 H TYR A1060 4.190 -6.146 11.927 1.00 21.44 H new ATOM 0 HA TYR A1060 6.190 -5.005 13.784 1.00 51.42 H new ATOM 0 HB2 TYR A1060 5.011 -7.811 13.771 1.00 2.11 H new ATOM 0 HB3 TYR A1060 6.376 -7.306 14.747 1.00 2.11 H new ATOM 0 HD1 TYR A1060 2.738 -6.761 14.199 1.00 75.52 H new ATOM 0 HD2 TYR A1060 6.047 -6.130 16.810 1.00 10.20 H new ATOM 0 HE1 TYR A1060 1.202 -6.017 15.964 1.00 40.14 H new ATOM 0 HE2 TYR A1060 4.513 -5.387 18.577 1.00 11.31 H new ATOM 0 HH TYR A1060 2.417 -5.005 19.167 1.00 74.14 H new ATOM 101 N GLU A1061 6.946 -5.704 11.144 1.00 22.21 N ATOM 102 CA GLU A1061 7.910 -6.090 10.120 1.00 64.40 C ATOM 103 C GLU A1061 7.912 -7.603 9.917 1.00 42.34 C ATOM 104 O GLU A1061 8.943 -8.198 9.604 1.00 42.04 O ATOM 105 CB GLU A1061 9.312 -5.614 10.503 1.00 33.51 C ATOM 106 CG GLU A1061 9.899 -6.345 11.699 1.00 23.25 C ATOM 107 CD GLU A1061 11.411 -6.249 11.759 1.00 65.44 C ATOM 108 OE1 GLU A1061 11.948 -5.171 11.427 1.00 12.14 O ATOM 109 OE2 GLU A1061 12.055 -7.249 12.138 1.00 51.51 O ATOM 0 H GLU A1061 6.387 -4.884 10.910 1.00 22.21 H new ATOM 0 HA GLU A1061 7.616 -5.616 9.184 1.00 64.40 H new ATOM 0 HB2 GLU A1061 9.976 -5.742 9.648 1.00 33.51 H new ATOM 0 HB3 GLU A1061 9.277 -4.547 10.722 1.00 33.51 H new ATOM 0 HG2 GLU A1061 9.476 -5.933 12.615 1.00 23.25 H new ATOM 0 HG3 GLU A1061 9.607 -7.394 11.657 1.00 23.25 H new ATOM 116 N LYS A1062 6.748 -8.219 10.099 1.00 74.45 N ATOM 117 CA LYS A1062 6.613 -9.662 9.937 1.00 11.21 C ATOM 118 C LYS A1062 5.252 -10.140 10.430 1.00 42.41 C ATOM 119 O LYS A1062 5.024 -10.255 11.634 1.00 32.03 O ATOM 120 CB LYS A1062 7.726 -10.387 10.696 1.00 35.33 C ATOM 121 CG LYS A1062 8.703 -11.119 9.791 1.00 51.33 C ATOM 122 CD LYS A1062 9.247 -12.372 10.455 1.00 74.33 C ATOM 123 CE LYS A1062 10.736 -12.541 10.193 1.00 71.42 C ATOM 124 NZ LYS A1062 11.253 -13.828 10.737 1.00 3.23 N ATOM 0 H LYS A1062 5.885 -7.741 10.359 1.00 74.45 H new ATOM 0 HA LYS A1062 6.696 -9.893 8.875 1.00 11.21 H new ATOM 0 HB2 LYS A1062 8.275 -9.663 11.299 1.00 35.33 H new ATOM 0 HB3 LYS A1062 7.278 -11.102 11.386 1.00 35.33 H new ATOM 0 HG2 LYS A1062 8.206 -11.387 8.859 1.00 51.33 H new ATOM 0 HG3 LYS A1062 9.528 -10.455 9.533 1.00 51.33 H new ATOM 0 HD2 LYS A1062 9.069 -12.322 11.529 1.00 74.33 H new ATOM 0 HD3 LYS A1062 8.710 -13.244 10.083 1.00 74.33 H new ATOM 0 HE2 LYS A1062 10.923 -12.499 9.120 1.00 71.42 H new ATOM 0 HE3 LYS A1062 11.280 -11.711 10.644 1.00 71.42 H new ATOM 0 HZ1 LYS A1062 12.223 -13.985 10.395 1.00 3.23 H new ATOM 0 HZ2 LYS A1062 11.254 -13.790 11.776 1.00 3.23 H new ATOM 0 HZ3 LYS A1062 10.643 -14.609 10.420 1.00 3.23 H new ATOM 138 N GLN A1063 4.351 -10.418 9.492 1.00 74.04 N ATOM 139 CA GLN A1063 3.013 -10.884 9.834 1.00 10.50 C ATOM 140 C GLN A1063 3.077 -12.115 10.731 1.00 11.23 C ATOM 141 O GLN A1063 2.127 -12.421 11.449 1.00 31.55 O ATOM 142 CB GLN A1063 2.223 -11.205 8.564 1.00 10.23 C ATOM 143 CG GLN A1063 1.441 -10.021 8.017 1.00 51.14 C ATOM 144 CD GLN A1063 -0.002 -10.010 8.483 1.00 51.32 C ATOM 145 OE1 GLN A1063 -0.832 -10.773 7.988 1.00 51.40 O ATOM 146 NE2 GLN A1063 -0.308 -9.142 9.440 1.00 25.03 N ATOM 0 H GLN A1063 4.524 -10.328 8.491 1.00 74.04 H new ATOM 0 HA GLN A1063 2.506 -10.087 10.378 1.00 10.50 H new ATOM 0 HB2 GLN A1063 2.912 -11.560 7.798 1.00 10.23 H new ATOM 0 HB3 GLN A1063 1.531 -12.021 8.773 1.00 10.23 H new ATOM 0 HG2 GLN A1063 1.926 -9.095 8.327 1.00 51.14 H new ATOM 0 HG3 GLN A1063 1.467 -10.045 6.928 1.00 51.14 H new ATOM 0 HE21 GLN A1063 0.412 -8.529 9.821 1.00 25.03 H new ATOM 0 HE22 GLN A1063 -1.263 -9.089 9.794 1.00 25.03 H new ATOM 155 N MET A1064 4.206 -12.817 10.685 1.00 5.32 N ATOM 156 CA MET A1064 4.394 -14.015 11.494 1.00 61.15 C ATOM 157 C MET A1064 3.238 -14.992 11.298 1.00 54.44 C ATOM 158 O MET A1064 2.957 -15.820 12.165 1.00 53.30 O ATOM 159 CB MET A1064 4.515 -13.642 12.974 1.00 0.30 C ATOM 160 CG MET A1064 5.780 -12.867 13.303 1.00 42.42 C ATOM 161 SD MET A1064 5.474 -11.475 14.408 1.00 33.44 S ATOM 162 CE MET A1064 6.832 -10.392 13.972 1.00 70.33 C ATOM 0 H MET A1064 5.003 -12.576 10.096 1.00 5.32 H new ATOM 0 HA MET A1064 5.315 -14.500 11.171 1.00 61.15 H new ATOM 0 HB2 MET A1064 3.649 -13.047 13.262 1.00 0.30 H new ATOM 0 HB3 MET A1064 4.490 -14.552 13.573 1.00 0.30 H new ATOM 0 HG2 MET A1064 6.504 -13.539 13.764 1.00 42.42 H new ATOM 0 HG3 MET A1064 6.228 -12.501 12.379 1.00 42.42 H new ATOM 0 HE1 MET A1064 7.221 -9.916 14.872 1.00 70.33 H new ATOM 0 HE2 MET A1064 7.623 -10.973 13.498 1.00 70.33 H new ATOM 0 HE3 MET A1064 6.480 -9.627 13.280 1.00 70.33 H new ATOM 172 N LEU A1065 2.572 -14.889 10.153 1.00 33.10 N ATOM 173 CA LEU A1065 1.448 -15.765 9.842 1.00 65.05 C ATOM 174 C LEU A1065 1.905 -16.973 9.032 1.00 33.22 C ATOM 175 O LEU A1065 1.398 -18.081 9.211 1.00 54.33 O ATOM 176 CB LEU A1065 0.376 -14.995 9.069 1.00 44.53 C ATOM 177 CG LEU A1065 -0.873 -14.603 9.860 1.00 32.33 C ATOM 178 CD1 LEU A1065 -0.913 -13.100 10.084 1.00 24.21 C ATOM 179 CD2 LEU A1065 -2.129 -15.071 9.140 1.00 33.55 C ATOM 0 H LEU A1065 2.791 -14.208 9.425 1.00 33.10 H new ATOM 0 HA LEU A1065 1.026 -16.121 10.782 1.00 65.05 H new ATOM 0 HB2 LEU A1065 0.827 -14.087 8.668 1.00 44.53 H new ATOM 0 HB3 LEU A1065 0.067 -15.600 8.217 1.00 44.53 H new ATOM 0 HG LEU A1065 -0.832 -15.093 10.833 1.00 32.33 H new ATOM 0 HD11 LEU A1065 -1.809 -12.840 10.648 1.00 24.21 H new ATOM 0 HD12 LEU A1065 -0.030 -12.792 10.643 1.00 24.21 H new ATOM 0 HD13 LEU A1065 -0.930 -12.589 9.121 1.00 24.21 H new ATOM 0 HD21 LEU A1065 -3.008 -14.783 9.717 1.00 33.55 H new ATOM 0 HD22 LEU A1065 -2.176 -14.610 8.153 1.00 33.55 H new ATOM 0 HD23 LEU A1065 -2.104 -16.155 9.033 1.00 33.55 H new ATOM 191 N TYR A1066 2.867 -16.753 8.142 1.00 33.52 N ATOM 192 CA TYR A1066 3.393 -17.825 7.305 1.00 64.42 C ATOM 193 C TYR A1066 3.814 -19.021 8.152 1.00 61.53 C ATOM 194 O TYR A1066 3.801 -20.162 7.687 1.00 72.35 O ATOM 195 CB TYR A1066 4.583 -17.322 6.485 1.00 23.22 C ATOM 196 CG TYR A1066 5.806 -17.013 7.319 1.00 22.24 C ATOM 197 CD1 TYR A1066 5.912 -15.815 8.013 1.00 55.43 C ATOM 198 CD2 TYR A1066 6.853 -17.921 7.413 1.00 72.31 C ATOM 199 CE1 TYR A1066 7.029 -15.528 8.776 1.00 4.43 C ATOM 200 CE2 TYR A1066 7.972 -17.643 8.175 1.00 30.23 C ATOM 201 CZ TYR A1066 8.056 -16.446 8.853 1.00 30.10 C ATOM 202 OH TYR A1066 9.168 -16.164 9.612 1.00 34.52 O ATOM 0 H TYR A1066 3.298 -15.843 7.982 1.00 33.52 H new ATOM 0 HA TYR A1066 2.601 -18.144 6.627 1.00 64.42 H new ATOM 0 HB2 TYR A1066 4.843 -18.073 5.739 1.00 23.22 H new ATOM 0 HB3 TYR A1066 4.287 -16.424 5.943 1.00 23.22 H new ATOM 0 HD1 TYR A1066 5.109 -15.095 7.956 1.00 55.43 H new ATOM 0 HD2 TYR A1066 6.792 -18.859 6.882 1.00 72.31 H new ATOM 0 HE1 TYR A1066 7.097 -14.591 9.308 1.00 4.43 H new ATOM 0 HE2 TYR A1066 8.777 -18.360 8.239 1.00 30.23 H new ATOM 0 HH TYR A1066 9.797 -16.914 9.562 1.00 34.52 H new ATOM 212 N LEU A1067 4.187 -18.753 9.399 1.00 32.54 N ATOM 213 CA LEU A1067 4.612 -19.807 10.314 1.00 22.34 C ATOM 214 C LEU A1067 3.415 -20.604 10.821 1.00 4.25 C ATOM 215 O LEU A1067 3.476 -21.828 10.941 1.00 75.12 O ATOM 216 CB LEU A1067 5.376 -19.207 11.496 1.00 11.44 C ATOM 217 CG LEU A1067 6.529 -18.267 11.141 1.00 1.01 C ATOM 218 CD1 LEU A1067 6.647 -17.155 12.171 1.00 43.11 C ATOM 219 CD2 LEU A1067 7.835 -19.041 11.038 1.00 31.10 C ATOM 0 H LEU A1067 4.204 -17.815 9.799 1.00 32.54 H new ATOM 0 HA LEU A1067 5.271 -20.483 9.768 1.00 22.34 H new ATOM 0 HB2 LEU A1067 4.669 -18.662 12.121 1.00 11.44 H new ATOM 0 HB3 LEU A1067 5.772 -20.024 12.100 1.00 11.44 H new ATOM 0 HG LEU A1067 6.319 -17.816 10.171 1.00 1.01 H new ATOM 0 HD11 LEU A1067 7.473 -16.496 11.902 1.00 43.11 H new ATOM 0 HD12 LEU A1067 5.720 -16.583 12.197 1.00 43.11 H new ATOM 0 HD13 LEU A1067 6.834 -17.588 13.154 1.00 43.11 H new ATOM 0 HD21 LEU A1067 8.645 -18.357 10.785 1.00 31.10 H new ATOM 0 HD22 LEU A1067 8.050 -19.520 11.993 1.00 31.10 H new ATOM 0 HD23 LEU A1067 7.747 -19.802 10.262 1.00 31.10 H new ATOM 231 N TYR A1068 2.325 -19.903 11.113 1.00 1.24 N ATOM 232 CA TYR A1068 1.113 -20.546 11.607 1.00 44.31 C ATOM 233 C TYR A1068 0.480 -21.419 10.527 1.00 0.22 C ATOM 234 O TYR A1068 0.008 -22.521 10.802 1.00 20.34 O ATOM 235 CB TYR A1068 0.109 -19.492 12.079 1.00 23.15 C ATOM 236 CG TYR A1068 -1.330 -19.852 11.784 1.00 42.02 C ATOM 237 CD1 TYR A1068 -1.933 -20.947 12.392 1.00 53.23 C ATOM 238 CD2 TYR A1068 -2.088 -19.096 10.899 1.00 13.41 C ATOM 239 CE1 TYR A1068 -3.246 -21.279 12.125 1.00 12.44 C ATOM 240 CE2 TYR A1068 -3.403 -19.420 10.626 1.00 25.11 C ATOM 241 CZ TYR A1068 -3.978 -20.513 11.242 1.00 13.21 C ATOM 242 OH TYR A1068 -5.287 -20.840 10.974 1.00 2.44 O ATOM 0 H TYR A1068 2.256 -18.890 11.016 1.00 1.24 H new ATOM 0 HA TYR A1068 1.386 -21.182 12.449 1.00 44.31 H new ATOM 0 HB2 TYR A1068 0.226 -19.346 13.153 1.00 23.15 H new ATOM 0 HB3 TYR A1068 0.342 -18.540 11.601 1.00 23.15 H new ATOM 0 HD1 TYR A1068 -1.364 -21.549 13.085 1.00 53.23 H new ATOM 0 HD2 TYR A1068 -1.641 -18.240 10.416 1.00 13.41 H new ATOM 0 HE1 TYR A1068 -3.698 -22.134 12.605 1.00 12.44 H new ATOM 0 HE2 TYR A1068 -3.978 -18.821 9.935 1.00 25.11 H new ATOM 0 HH TYR A1068 -5.659 -20.200 10.332 1.00 2.44 H new ATOM 252 N VAL A1069 0.476 -20.917 9.296 1.00 44.21 N ATOM 253 CA VAL A1069 -0.096 -21.649 8.173 1.00 60.51 C ATOM 254 C VAL A1069 0.755 -22.864 7.819 1.00 61.34 C ATOM 255 O VAL A1069 0.235 -23.899 7.399 1.00 71.23 O ATOM 256 CB VAL A1069 -0.235 -20.752 6.928 1.00 74.43 C ATOM 257 CG1 VAL A1069 1.128 -20.247 6.480 1.00 54.05 C ATOM 258 CG2 VAL A1069 -0.930 -21.505 5.804 1.00 55.53 C ATOM 0 H VAL A1069 0.863 -20.005 9.052 1.00 44.21 H new ATOM 0 HA VAL A1069 -1.087 -21.980 8.484 1.00 60.51 H new ATOM 0 HB VAL A1069 -0.848 -19.889 7.189 1.00 74.43 H new ATOM 0 HG11 VAL A1069 1.011 -19.615 5.600 1.00 54.05 H new ATOM 0 HG12 VAL A1069 1.584 -19.669 7.284 1.00 54.05 H new ATOM 0 HG13 VAL A1069 1.768 -21.095 6.235 1.00 54.05 H new ATOM 0 HG21 VAL A1069 -1.020 -20.856 4.933 1.00 55.53 H new ATOM 0 HG22 VAL A1069 -0.346 -22.387 5.541 1.00 55.53 H new ATOM 0 HG23 VAL A1069 -1.923 -21.812 6.132 1.00 55.53 H new ATOM 268 N LEU A1070 2.066 -22.731 7.991 1.00 42.11 N ATOM 269 CA LEU A1070 2.990 -23.818 7.690 1.00 72.01 C ATOM 270 C LEU A1070 2.914 -24.908 8.754 1.00 2.21 C ATOM 271 O LEU A1070 3.015 -26.096 8.447 1.00 24.11 O ATOM 272 CB LEU A1070 4.421 -23.284 7.593 1.00 2.22 C ATOM 273 CG LEU A1070 5.412 -24.154 6.818 1.00 24.15 C ATOM 274 CD1 LEU A1070 5.198 -24.001 5.321 1.00 13.44 C ATOM 275 CD2 LEU A1070 6.842 -23.799 7.194 1.00 45.52 C ATOM 0 H LEU A1070 2.512 -21.882 8.337 1.00 42.11 H new ATOM 0 HA LEU A1070 2.703 -24.251 6.732 1.00 72.01 H new ATOM 0 HB2 LEU A1070 4.389 -22.300 7.125 1.00 2.22 H new ATOM 0 HB3 LEU A1070 4.804 -23.144 8.604 1.00 2.22 H new ATOM 0 HG LEU A1070 5.237 -25.196 7.085 1.00 24.15 H new ATOM 0 HD11 LEU A1070 5.912 -24.627 4.786 1.00 13.44 H new ATOM 0 HD12 LEU A1070 4.184 -24.307 5.065 1.00 13.44 H new ATOM 0 HD13 LEU A1070 5.345 -22.959 5.037 1.00 13.44 H new ATOM 0 HD21 LEU A1070 7.533 -24.428 6.633 1.00 45.52 H new ATOM 0 HD22 LEU A1070 7.031 -22.752 6.958 1.00 45.52 H new ATOM 0 HD23 LEU A1070 6.989 -23.962 8.262 1.00 45.52 H new ATOM 287 N SER A1071 2.732 -24.497 10.004 1.00 72.13 N ATOM 288 CA SER A1071 2.643 -25.438 11.114 1.00 60.11 C ATOM 289 C SER A1071 1.311 -26.181 11.090 1.00 20.11 C ATOM 290 O SER A1071 1.210 -27.315 11.558 1.00 42.03 O ATOM 291 CB SER A1071 2.808 -24.706 12.447 1.00 24.14 C ATOM 292 OG SER A1071 2.906 -25.622 13.524 1.00 41.52 O ATOM 0 H SER A1071 2.643 -23.517 10.274 1.00 72.13 H new ATOM 0 HA SER A1071 3.448 -26.166 11.006 1.00 60.11 H new ATOM 0 HB2 SER A1071 3.701 -24.082 12.414 1.00 24.14 H new ATOM 0 HB3 SER A1071 1.960 -24.041 12.607 1.00 24.14 H new ATOM 0 HG SER A1071 3.012 -25.129 14.364 1.00 41.52 H new ATOM 298 N GLY A1072 0.288 -25.533 10.539 1.00 73.23 N ATOM 299 CA GLY A1072 -1.025 -26.146 10.465 1.00 13.53 C ATOM 300 C GLY A1072 -1.114 -27.192 9.370 1.00 61.41 C ATOM 301 O GLY A1072 -1.752 -28.231 9.547 1.00 51.33 O ATOM 0 H GLY A1072 0.346 -24.595 10.143 1.00 73.23 H new ATOM 0 HA2 GLY A1072 -1.262 -26.607 11.424 1.00 13.53 H new ATOM 0 HA3 GLY A1072 -1.774 -25.374 10.288 1.00 13.53 H new ATOM 305 N ILE A1073 -0.476 -26.918 8.237 1.00 71.24 N ATOM 306 CA ILE A1073 -0.488 -27.843 7.111 1.00 73.11 C ATOM 307 C ILE A1073 0.410 -29.046 7.380 1.00 21.13 C ATOM 308 O ILE A1073 0.145 -30.149 6.903 1.00 33.13 O ATOM 309 CB ILE A1073 -0.029 -27.154 5.813 1.00 12.14 C ATOM 310 CG1 ILE A1073 1.438 -26.734 5.923 1.00 43.41 C ATOM 311 CG2 ILE A1073 -0.909 -25.950 5.512 1.00 35.31 C ATOM 312 CD1 ILE A1073 1.989 -26.126 4.653 1.00 54.31 C ATOM 0 H ILE A1073 0.056 -26.063 8.075 1.00 71.24 H new ATOM 0 HA ILE A1073 -1.517 -28.180 6.989 1.00 73.11 H new ATOM 0 HB ILE A1073 -0.123 -27.863 4.991 1.00 12.14 H new ATOM 0 HG12 ILE A1073 1.542 -26.015 6.735 1.00 43.41 H new ATOM 0 HG13 ILE A1073 2.038 -27.604 6.190 1.00 43.41 H new ATOM 0 HG21 ILE A1073 -0.572 -25.474 4.591 1.00 35.31 H new ATOM 0 HG22 ILE A1073 -1.943 -26.275 5.395 1.00 35.31 H new ATOM 0 HG23 ILE A1073 -0.844 -25.237 6.334 1.00 35.31 H new ATOM 0 HD11 ILE A1073 3.033 -25.852 4.804 1.00 54.31 H new ATOM 0 HD12 ILE A1073 1.918 -26.851 3.842 1.00 54.31 H new ATOM 0 HD13 ILE A1073 1.414 -25.236 4.396 1.00 54.31 H new ATOM 324 N GLY A1074 1.472 -28.826 8.148 1.00 23.13 N ATOM 325 CA GLY A1074 2.391 -29.903 8.469 1.00 0.31 C ATOM 326 C GLY A1074 1.824 -30.863 9.494 1.00 34.31 C ATOM 327 O GLY A1074 2.083 -32.066 9.439 1.00 61.05 O ATOM 0 H GLY A1074 1.713 -27.922 8.554 1.00 23.13 H new ATOM 0 HA2 GLY A1074 2.636 -30.451 7.559 1.00 0.31 H new ATOM 0 HA3 GLY A1074 3.322 -29.481 8.847 1.00 0.31 H new ATOM 331 N GLY A1075 1.048 -30.333 10.435 1.00 22.14 N ATOM 332 CA GLY A1075 0.457 -31.167 11.466 1.00 1.33 C ATOM 333 C GLY A1075 -0.701 -31.997 10.947 1.00 41.12 C ATOM 334 O GLY A1075 -0.930 -33.115 11.410 1.00 12.31 O ATOM 0 H GLY A1075 0.818 -29.341 10.502 1.00 22.14 H new ATOM 0 HA2 GLY A1075 1.220 -31.829 11.875 1.00 1.33 H new ATOM 0 HA3 GLY A1075 0.110 -30.536 12.285 1.00 1.33 H new ATOM 338 N LEU A1076 -1.434 -31.450 9.984 1.00 4.54 N ATOM 339 CA LEU A1076 -2.575 -32.147 9.402 1.00 5.42 C ATOM 340 C LEU A1076 -2.116 -33.302 8.518 1.00 61.12 C ATOM 341 O LEU A1076 -2.722 -34.374 8.513 1.00 5.12 O ATOM 342 CB LEU A1076 -3.431 -31.175 8.587 1.00 14.40 C ATOM 343 CG LEU A1076 -4.656 -30.599 9.298 1.00 52.20 C ATOM 344 CD1 LEU A1076 -4.255 -29.962 10.619 1.00 73.10 C ATOM 345 CD2 LEU A1076 -5.361 -29.586 8.408 1.00 23.44 C ATOM 0 H LEU A1076 -1.259 -30.526 9.590 1.00 4.54 H new ATOM 0 HA LEU A1076 -3.174 -32.554 10.217 1.00 5.42 H new ATOM 0 HB2 LEU A1076 -2.799 -30.347 8.267 1.00 14.40 H new ATOM 0 HB3 LEU A1076 -3.767 -31.687 7.685 1.00 14.40 H new ATOM 0 HG LEU A1076 -5.349 -31.414 9.506 1.00 52.20 H new ATOM 0 HD11 LEU A1076 -5.139 -29.557 11.111 1.00 73.10 H new ATOM 0 HD12 LEU A1076 -3.795 -30.714 11.260 1.00 73.10 H new ATOM 0 HD13 LEU A1076 -3.543 -29.158 10.434 1.00 73.10 H new ATOM 0 HD21 LEU A1076 -6.230 -29.186 8.930 1.00 23.44 H new ATOM 0 HD22 LEU A1076 -4.676 -28.773 8.169 1.00 23.44 H new ATOM 0 HD23 LEU A1076 -5.683 -30.072 7.487 1.00 23.44 H new ATOM 357 N LEU A1077 -1.040 -33.078 7.773 1.00 54.04 N ATOM 358 CA LEU A1077 -0.495 -34.101 6.886 1.00 24.11 C ATOM 359 C LEU A1077 0.088 -35.261 7.687 1.00 53.33 C ATOM 360 O LEU A1077 -0.050 -36.423 7.306 1.00 31.02 O ATOM 361 CB LEU A1077 0.580 -33.500 5.980 1.00 44.54 C ATOM 362 CG LEU A1077 0.125 -33.095 4.577 1.00 54.13 C ATOM 363 CD1 LEU A1077 -0.428 -34.297 3.828 1.00 23.12 C ATOM 364 CD2 LEU A1077 -0.914 -31.986 4.651 1.00 43.04 C ATOM 0 H LEU A1077 -0.527 -32.197 7.765 1.00 54.04 H new ATOM 0 HA LEU A1077 -1.308 -34.482 6.269 1.00 24.11 H new ATOM 0 HB2 LEU A1077 0.994 -32.621 6.474 1.00 44.54 H new ATOM 0 HB3 LEU A1077 1.391 -34.222 5.883 1.00 44.54 H new ATOM 0 HG LEU A1077 0.990 -32.718 4.031 1.00 54.13 H new ATOM 0 HD11 LEU A1077 -0.747 -33.990 2.832 1.00 23.12 H new ATOM 0 HD12 LEU A1077 0.346 -35.060 3.742 1.00 23.12 H new ATOM 0 HD13 LEU A1077 -1.280 -34.704 4.372 1.00 23.12 H new ATOM 0 HD21 LEU A1077 -1.225 -31.711 3.643 1.00 43.04 H new ATOM 0 HD22 LEU A1077 -1.779 -32.335 5.216 1.00 43.04 H new ATOM 0 HD23 LEU A1077 -0.483 -31.116 5.147 1.00 43.04 H new ATOM 376 N LEU A1078 0.740 -34.936 8.798 1.00 73.23 N ATOM 377 CA LEU A1078 1.344 -35.951 9.655 1.00 3.55 C ATOM 378 C LEU A1078 0.274 -36.726 10.419 1.00 1.42 C ATOM 379 O LEU A1078 0.481 -37.878 10.800 1.00 33.55 O ATOM 380 CB LEU A1078 2.319 -35.303 10.637 1.00 60.14 C ATOM 381 CG LEU A1078 3.794 -35.321 10.231 1.00 21.35 C ATOM 382 CD1 LEU A1078 3.969 -34.744 8.835 1.00 74.53 C ATOM 383 CD2 LEU A1078 4.635 -34.551 11.239 1.00 45.05 C ATOM 0 H LEU A1078 0.864 -33.978 9.127 1.00 73.23 H new ATOM 0 HA LEU A1078 1.889 -36.650 9.020 1.00 3.55 H new ATOM 0 HB2 LEU A1078 2.017 -34.266 10.787 1.00 60.14 H new ATOM 0 HB3 LEU A1078 2.222 -35.806 11.599 1.00 60.14 H new ATOM 0 HG LEU A1078 4.136 -36.356 10.220 1.00 21.35 H new ATOM 0 HD11 LEU A1078 5.024 -34.765 8.562 1.00 74.53 H new ATOM 0 HD12 LEU A1078 3.398 -35.338 8.121 1.00 74.53 H new ATOM 0 HD13 LEU A1078 3.610 -33.715 8.819 1.00 74.53 H new ATOM 0 HD21 LEU A1078 5.681 -34.575 10.934 1.00 45.05 H new ATOM 0 HD22 LEU A1078 4.293 -33.517 11.283 1.00 45.05 H new ATOM 0 HD23 LEU A1078 4.534 -35.009 12.223 1.00 45.05 H new ATOM 395 N LEU A1079 -0.869 -36.086 10.637 1.00 23.13 N ATOM 396 CA LEU A1079 -1.973 -36.715 11.353 1.00 42.12 C ATOM 397 C LEU A1079 -2.687 -37.733 10.468 1.00 42.02 C ATOM 398 O LEU A1079 -3.090 -38.800 10.932 1.00 30.53 O ATOM 399 CB LEU A1079 -2.966 -35.655 11.833 1.00 71.13 C ATOM 400 CG LEU A1079 -4.269 -36.180 12.437 1.00 72.12 C ATOM 401 CD1 LEU A1079 -4.774 -35.236 13.518 1.00 30.41 C ATOM 402 CD2 LEU A1079 -5.322 -36.367 11.355 1.00 54.42 C ATOM 0 H LEU A1079 -1.056 -35.132 10.328 1.00 23.13 H new ATOM 0 HA LEU A1079 -1.562 -37.237 12.217 1.00 42.12 H new ATOM 0 HB2 LEU A1079 -2.470 -35.031 12.577 1.00 71.13 H new ATOM 0 HB3 LEU A1079 -3.214 -35.010 10.990 1.00 71.13 H new ATOM 0 HG LEU A1079 -4.071 -37.150 12.893 1.00 72.12 H new ATOM 0 HD11 LEU A1079 -5.702 -35.625 13.937 1.00 30.41 H new ATOM 0 HD12 LEU A1079 -4.027 -35.153 14.307 1.00 30.41 H new ATOM 0 HD13 LEU A1079 -4.956 -34.252 13.086 1.00 30.41 H new ATOM 0 HD21 LEU A1079 -6.242 -36.741 11.804 1.00 54.42 H new ATOM 0 HD22 LEU A1079 -5.518 -35.411 10.869 1.00 54.42 H new ATOM 0 HD23 LEU A1079 -4.961 -37.083 10.616 1.00 54.42 H new ATOM 414 N LEU A1080 -2.839 -37.395 9.192 1.00 72.10 N ATOM 415 CA LEU A1080 -3.502 -38.281 8.241 1.00 45.51 C ATOM 416 C LEU A1080 -2.609 -39.465 7.886 1.00 35.34 C ATOM 417 O LEU A1080 -3.092 -40.578 7.671 1.00 21.42 O ATOM 418 CB LEU A1080 -3.875 -37.511 6.973 1.00 44.32 C ATOM 419 CG LEU A1080 -4.869 -38.200 6.037 1.00 13.33 C ATOM 420 CD1 LEU A1080 -6.277 -38.129 6.607 1.00 33.15 C ATOM 421 CD2 LEU A1080 -4.820 -37.573 4.652 1.00 1.13 C ATOM 0 H LEU A1080 -2.513 -36.515 8.792 1.00 72.10 H new ATOM 0 HA LEU A1080 -4.410 -38.662 8.709 1.00 45.51 H new ATOM 0 HB2 LEU A1080 -4.291 -36.547 7.266 1.00 44.32 H new ATOM 0 HB3 LEU A1080 -2.962 -37.307 6.414 1.00 44.32 H new ATOM 0 HG LEU A1080 -4.588 -39.249 5.949 1.00 13.33 H new ATOM 0 HD11 LEU A1080 -6.970 -38.624 5.927 1.00 33.15 H new ATOM 0 HD12 LEU A1080 -6.302 -38.626 7.577 1.00 33.15 H new ATOM 0 HD13 LEU A1080 -6.569 -37.086 6.726 1.00 33.15 H new ATOM 0 HD21 LEU A1080 -5.534 -38.076 3.999 1.00 1.13 H new ATOM 0 HD22 LEU A1080 -5.075 -36.516 4.722 1.00 1.13 H new ATOM 0 HD23 LEU A1080 -3.816 -37.678 4.241 1.00 1.13 H new ATOM 433 N LEU A1081 -1.304 -39.220 7.829 1.00 5.12 N ATOM 434 CA LEU A1081 -0.343 -40.268 7.502 1.00 61.02 C ATOM 435 C LEU A1081 -0.091 -41.169 8.706 1.00 1.25 C ATOM 436 O LEU A1081 0.127 -42.373 8.557 1.00 60.01 O ATOM 437 CB LEU A1081 0.974 -39.649 7.029 1.00 4.43 C ATOM 438 CG LEU A1081 2.111 -39.630 8.050 1.00 1.12 C ATOM 439 CD1 LEU A1081 2.814 -40.978 8.091 1.00 53.21 C ATOM 440 CD2 LEU A1081 3.101 -38.520 7.725 1.00 63.54 C ATOM 0 H LEU A1081 -0.888 -38.306 8.005 1.00 5.12 H new ATOM 0 HA LEU A1081 -0.762 -40.874 6.699 1.00 61.02 H new ATOM 0 HB2 LEU A1081 1.313 -40.194 6.148 1.00 4.43 H new ATOM 0 HB3 LEU A1081 0.778 -38.624 6.714 1.00 4.43 H new ATOM 0 HG LEU A1081 1.686 -39.434 9.035 1.00 1.12 H new ATOM 0 HD11 LEU A1081 3.621 -40.946 8.823 1.00 53.21 H new ATOM 0 HD12 LEU A1081 2.100 -41.752 8.372 1.00 53.21 H new ATOM 0 HD13 LEU A1081 3.226 -41.204 7.107 1.00 53.21 H new ATOM 0 HD21 LEU A1081 3.904 -38.521 8.462 1.00 63.54 H new ATOM 0 HD22 LEU A1081 3.520 -38.685 6.732 1.00 63.54 H new ATOM 0 HD23 LEU A1081 2.589 -37.558 7.748 1.00 63.54 H new ATOM 452 N ILE A1082 -0.123 -40.581 9.897 1.00 24.55 N ATOM 453 CA ILE A1082 0.098 -41.333 11.126 1.00 52.31 C ATOM 454 C ILE A1082 -1.080 -42.253 11.427 1.00 54.14 C ATOM 455 O ILE A1082 -0.902 -43.357 11.943 1.00 10.54 O ATOM 456 CB ILE A1082 0.322 -40.395 12.326 1.00 64.15 C ATOM 457 CG1 ILE A1082 1.775 -39.916 12.364 1.00 73.12 C ATOM 458 CG2 ILE A1082 -0.043 -41.099 13.625 1.00 51.32 C ATOM 459 CD1 ILE A1082 1.970 -38.637 13.147 1.00 72.42 C ATOM 0 H ILE A1082 -0.300 -39.586 10.037 1.00 24.55 H new ATOM 0 HA ILE A1082 0.994 -41.934 10.972 1.00 52.31 H new ATOM 0 HB ILE A1082 -0.325 -39.525 12.213 1.00 64.15 H new ATOM 0 HG12 ILE A1082 2.395 -40.698 12.801 1.00 73.12 H new ATOM 0 HG13 ILE A1082 2.126 -39.764 11.343 1.00 73.12 H new ATOM 0 HG21 ILE A1082 0.121 -40.423 14.464 1.00 51.32 H new ATOM 0 HG22 ILE A1082 -1.092 -41.394 13.597 1.00 51.32 H new ATOM 0 HG23 ILE A1082 0.580 -41.985 13.746 1.00 51.32 H new ATOM 0 HD11 ILE A1082 3.023 -38.358 13.131 1.00 72.42 H new ATOM 0 HD12 ILE A1082 1.377 -37.841 12.697 1.00 72.42 H new ATOM 0 HD13 ILE A1082 1.651 -38.789 14.178 1.00 72.42 H new ATOM 471 N PHE A1083 -2.282 -41.793 11.101 1.00 61.12 N ATOM 472 CA PHE A1083 -3.491 -42.575 11.336 1.00 54.03 C ATOM 473 C PHE A1083 -3.589 -43.733 10.347 1.00 62.15 C ATOM 474 O PHE A1083 -4.020 -44.830 10.703 1.00 14.35 O ATOM 475 CB PHE A1083 -4.730 -41.686 11.224 1.00 3.20 C ATOM 476 CG PHE A1083 -5.105 -41.013 12.513 1.00 61.23 C ATOM 477 CD1 PHE A1083 -5.222 -41.745 13.683 1.00 51.13 C ATOM 478 CD2 PHE A1083 -5.341 -39.648 12.554 1.00 72.43 C ATOM 479 CE1 PHE A1083 -5.566 -41.129 14.872 1.00 12.42 C ATOM 480 CE2 PHE A1083 -5.685 -39.027 13.740 1.00 71.44 C ATOM 481 CZ PHE A1083 -5.798 -39.768 14.900 1.00 23.32 C ATOM 0 H PHE A1083 -2.446 -40.882 10.673 1.00 61.12 H new ATOM 0 HA PHE A1083 -3.439 -42.985 12.345 1.00 54.03 H new ATOM 0 HB2 PHE A1083 -4.553 -40.925 10.464 1.00 3.20 H new ATOM 0 HB3 PHE A1083 -5.570 -42.290 10.881 1.00 3.20 H new ATOM 0 HD1 PHE A1083 -5.042 -42.810 13.666 1.00 51.13 H new ATOM 0 HD2 PHE A1083 -5.255 -39.063 11.650 1.00 72.43 H new ATOM 0 HE1 PHE A1083 -5.653 -41.711 15.777 1.00 12.42 H new ATOM 0 HE2 PHE A1083 -5.865 -37.962 13.760 1.00 71.44 H new ATOM 0 HZ PHE A1083 -6.067 -39.284 15.827 1.00 23.32 H new ATOM 491 N ILE A1084 -3.189 -43.478 9.107 1.00 12.33 N ATOM 492 CA ILE A1084 -3.232 -44.499 8.067 1.00 2.51 C ATOM 493 C ILE A1084 -2.099 -45.505 8.236 1.00 23.55 C ATOM 494 O ILE A1084 -2.267 -46.695 7.972 1.00 32.14 O ATOM 495 CB ILE A1084 -3.142 -43.874 6.661 1.00 22.45 C ATOM 496 CG1 ILE A1084 -4.374 -43.010 6.384 1.00 42.24 C ATOM 497 CG2 ILE A1084 -3.003 -44.962 5.606 1.00 62.24 C ATOM 498 CD1 ILE A1084 -4.279 -42.217 5.099 1.00 31.44 C ATOM 0 H ILE A1084 -2.832 -42.574 8.797 1.00 12.33 H new ATOM 0 HA ILE A1084 -4.188 -45.012 8.168 1.00 2.51 H new ATOM 0 HB ILE A1084 -2.258 -43.238 6.618 1.00 22.45 H new ATOM 0 HG12 ILE A1084 -5.255 -43.650 6.342 1.00 42.24 H new ATOM 0 HG13 ILE A1084 -4.520 -42.322 7.216 1.00 42.24 H new ATOM 0 HG21 ILE A1084 -2.941 -44.505 4.618 1.00 62.24 H new ATOM 0 HG22 ILE A1084 -2.099 -45.540 5.796 1.00 62.24 H new ATOM 0 HG23 ILE A1084 -3.870 -45.621 5.647 1.00 62.24 H new ATOM 0 HD11 ILE A1084 -5.187 -41.628 4.967 1.00 31.44 H new ATOM 0 HD12 ILE A1084 -3.418 -41.551 5.145 1.00 31.44 H new ATOM 0 HD13 ILE A1084 -4.164 -42.900 4.257 1.00 31.44 H new ATOM 510 N VAL A1085 -0.944 -45.019 8.681 1.00 3.13 N ATOM 511 CA VAL A1085 0.216 -45.876 8.889 1.00 21.53 C ATOM 512 C VAL A1085 -0.018 -46.847 10.041 1.00 32.30 C ATOM 513 O VAL A1085 0.472 -47.978 10.024 1.00 50.04 O ATOM 514 CB VAL A1085 1.481 -45.047 9.181 1.00 52.41 C ATOM 515 CG1 VAL A1085 2.546 -45.911 9.838 1.00 75.21 C ATOM 516 CG2 VAL A1085 2.009 -44.414 7.903 1.00 31.31 C ATOM 0 H VAL A1085 -0.788 -44.036 8.904 1.00 3.13 H new ATOM 0 HA VAL A1085 0.363 -46.438 7.967 1.00 21.53 H new ATOM 0 HB VAL A1085 1.219 -44.247 9.874 1.00 52.41 H new ATOM 0 HG11 VAL A1085 3.432 -45.308 10.037 1.00 75.21 H new ATOM 0 HG12 VAL A1085 2.162 -46.312 10.776 1.00 75.21 H new ATOM 0 HG13 VAL A1085 2.809 -46.734 9.173 1.00 75.21 H new ATOM 0 HG21 VAL A1085 2.903 -43.832 8.128 1.00 31.31 H new ATOM 0 HG22 VAL A1085 2.256 -45.196 7.185 1.00 31.31 H new ATOM 0 HG23 VAL A1085 1.247 -43.760 7.479 1.00 31.31 H new ATOM 526 N LEU A1086 -0.771 -46.401 11.040 1.00 61.31 N ATOM 527 CA LEU A1086 -1.072 -47.232 12.201 1.00 72.01 C ATOM 528 C LEU A1086 -2.218 -48.192 11.902 1.00 3.24 C ATOM 529 O LEU A1086 -2.252 -49.312 12.412 1.00 63.24 O ATOM 530 CB LEU A1086 -1.427 -46.354 13.403 1.00 2.20 C ATOM 531 CG LEU A1086 -0.264 -45.605 14.055 1.00 24.05 C ATOM 532 CD1 LEU A1086 -0.753 -44.792 15.243 1.00 43.34 C ATOM 533 CD2 LEU A1086 0.824 -46.578 14.483 1.00 11.25 C ATOM 0 H LEU A1086 -1.184 -45.469 11.070 1.00 61.31 H new ATOM 0 HA LEU A1086 -0.184 -47.819 12.437 1.00 72.01 H new ATOM 0 HB2 LEU A1086 -2.171 -45.623 13.086 1.00 2.20 H new ATOM 0 HB3 LEU A1086 -1.898 -46.982 14.159 1.00 2.20 H new ATOM 0 HG LEU A1086 0.159 -44.919 13.321 1.00 24.05 H new ATOM 0 HD11 LEU A1086 0.088 -44.266 15.695 1.00 43.34 H new ATOM 0 HD12 LEU A1086 -1.496 -44.068 14.908 1.00 43.34 H new ATOM 0 HD13 LEU A1086 -1.202 -45.458 15.980 1.00 43.34 H new ATOM 0 HD21 LEU A1086 1.643 -46.027 14.945 1.00 11.25 H new ATOM 0 HD22 LEU A1086 0.415 -47.289 15.201 1.00 11.25 H new ATOM 0 HD23 LEU A1086 1.195 -47.116 13.611 1.00 11.25 H new ATOM 545 N TYR A1087 -3.153 -47.748 11.070 1.00 52.01 N ATOM 546 CA TYR A1087 -4.301 -48.568 10.701 1.00 61.34 C ATOM 547 C TYR A1087 -3.894 -49.669 9.728 1.00 31.24 C ATOM 548 O TYR A1087 -4.595 -50.670 9.574 1.00 45.13 O ATOM 549 CB TYR A1087 -5.395 -47.699 10.079 1.00 31.35 C ATOM 550 CG TYR A1087 -5.934 -48.246 8.776 1.00 32.31 C ATOM 551 CD1 TYR A1087 -5.313 -47.956 7.567 1.00 74.34 C ATOM 552 CD2 TYR A1087 -7.066 -49.053 8.754 1.00 12.45 C ATOM 553 CE1 TYR A1087 -5.801 -48.453 6.376 1.00 13.34 C ATOM 554 CE2 TYR A1087 -7.560 -49.556 7.566 1.00 0.13 C ATOM 555 CZ TYR A1087 -6.925 -49.253 6.380 1.00 32.25 C ATOM 556 OH TYR A1087 -7.416 -49.751 5.194 1.00 4.31 O ATOM 0 H TYR A1087 -3.139 -46.824 10.638 1.00 52.01 H new ATOM 0 HA TYR A1087 -4.688 -49.035 11.606 1.00 61.34 H new ATOM 0 HB2 TYR A1087 -6.216 -47.599 10.789 1.00 31.35 H new ATOM 0 HB3 TYR A1087 -4.999 -46.698 9.907 1.00 31.35 H new ATOM 0 HD1 TYR A1087 -4.433 -47.330 7.560 1.00 74.34 H new ATOM 0 HD2 TYR A1087 -7.567 -49.290 9.681 1.00 12.45 H new ATOM 0 HE1 TYR A1087 -5.306 -48.217 5.446 1.00 13.34 H new ATOM 0 HE2 TYR A1087 -8.439 -50.183 7.566 1.00 0.13 H new ATOM 0 HH TYR A1087 -8.211 -50.296 5.372 1.00 4.31 H new ATOM 566 N LYS A1088 -2.755 -49.479 9.072 1.00 55.31 N ATOM 567 CA LYS A1088 -2.250 -50.455 8.114 1.00 1.21 C ATOM 568 C LYS A1088 -1.244 -51.394 8.773 1.00 3.13 C ATOM 569 O LYS A1088 -1.070 -52.534 8.341 1.00 40.24 O ATOM 570 CB LYS A1088 -1.598 -49.744 6.925 1.00 33.54 C ATOM 571 CG LYS A1088 -0.312 -49.018 7.281 1.00 34.54 C ATOM 572 CD LYS A1088 0.367 -48.450 6.048 1.00 0.22 C ATOM 573 CE LYS A1088 1.857 -48.248 6.274 1.00 34.14 C ATOM 574 NZ LYS A1088 2.378 -47.071 5.527 1.00 52.44 N ATOM 0 H LYS A1088 -2.163 -48.656 9.186 1.00 55.31 H new ATOM 0 HA LYS A1088 -3.093 -51.047 7.757 1.00 1.21 H new ATOM 0 HB2 LYS A1088 -1.388 -50.476 6.145 1.00 33.54 H new ATOM 0 HB3 LYS A1088 -2.306 -49.028 6.508 1.00 33.54 H new ATOM 0 HG2 LYS A1088 -0.530 -48.212 7.981 1.00 34.54 H new ATOM 0 HG3 LYS A1088 0.366 -49.705 7.787 1.00 34.54 H new ATOM 0 HD2 LYS A1088 0.214 -49.123 5.205 1.00 0.22 H new ATOM 0 HD3 LYS A1088 -0.094 -47.498 5.784 1.00 0.22 H new ATOM 0 HE2 LYS A1088 2.048 -48.115 7.339 1.00 34.14 H new ATOM 0 HE3 LYS A1088 2.396 -49.143 5.963 1.00 34.14 H new ATOM 0 HZ1 LYS A1088 3.221 -46.699 6.010 1.00 52.44 H new ATOM 0 HZ2 LYS A1088 2.631 -47.358 4.560 1.00 52.44 H new ATOM 0 HZ3 LYS A1088 1.647 -46.333 5.489 1.00 52.44 H new ATOM 588 N VAL A1089 -0.586 -50.909 9.820 1.00 41.10 N ATOM 589 CA VAL A1089 0.399 -51.706 10.541 1.00 13.54 C ATOM 590 C VAL A1089 -0.275 -52.747 11.425 1.00 11.45 C ATOM 591 O VAL A1089 0.287 -53.809 11.692 1.00 10.41 O ATOM 592 CB VAL A1089 1.309 -50.820 11.412 1.00 13.45 C ATOM 593 CG1 VAL A1089 1.085 -51.113 12.888 1.00 11.53 C ATOM 594 CG2 VAL A1089 2.769 -51.022 11.035 1.00 14.30 C ATOM 0 H VAL A1089 -0.717 -49.967 10.189 1.00 41.10 H new ATOM 0 HA VAL A1089 1.007 -52.211 9.790 1.00 13.54 H new ATOM 0 HB VAL A1089 1.052 -49.776 11.230 1.00 13.45 H new ATOM 0 HG11 VAL A1089 1.736 -50.478 13.488 1.00 11.53 H new ATOM 0 HG12 VAL A1089 0.045 -50.912 13.145 1.00 11.53 H new ATOM 0 HG13 VAL A1089 1.313 -52.160 13.090 1.00 11.53 H new ATOM 0 HG21 VAL A1089 3.397 -50.388 11.661 1.00 14.30 H new ATOM 0 HG22 VAL A1089 3.043 -52.066 11.186 1.00 14.30 H new ATOM 0 HG23 VAL A1089 2.914 -50.757 9.988 1.00 14.30 H new ATOM 604 N GLY A1090 -1.487 -52.437 11.877 1.00 42.44 N ATOM 605 CA GLY A1090 -2.220 -53.357 12.727 1.00 53.31 C ATOM 606 C GLY A1090 -2.741 -52.693 13.986 1.00 52.14 C ATOM 607 O GLY A1090 -3.432 -53.321 14.788 1.00 33.24 O ATOM 0 H GLY A1090 -1.974 -51.565 11.669 1.00 42.44 H new ATOM 0 HA2 GLY A1090 -3.057 -53.775 12.168 1.00 53.31 H new ATOM 0 HA3 GLY A1090 -1.571 -54.189 13.001 1.00 53.31 H new ATOM 611 N PHE A1091 -2.408 -51.418 14.162 1.00 31.55 N ATOM 612 CA PHE A1091 -2.845 -50.670 15.334 1.00 45.35 C ATOM 613 C PHE A1091 -4.365 -50.537 15.360 1.00 32.41 C ATOM 614 O PHE A1091 -5.027 -51.032 16.273 1.00 51.30 O ATOM 615 CB PHE A1091 -2.200 -49.281 15.348 1.00 24.32 C ATOM 616 CG PHE A1091 -1.961 -48.745 16.730 1.00 21.00 C ATOM 617 CD1 PHE A1091 -0.953 -49.266 17.524 1.00 74.11 C ATOM 618 CD2 PHE A1091 -2.744 -47.720 17.236 1.00 0.45 C ATOM 619 CE1 PHE A1091 -0.730 -48.775 18.798 1.00 10.24 C ATOM 620 CE2 PHE A1091 -2.526 -47.224 18.507 1.00 63.40 C ATOM 621 CZ PHE A1091 -1.518 -47.752 19.289 1.00 32.30 C ATOM 0 H PHE A1091 -1.837 -50.882 13.508 1.00 31.55 H new ATOM 0 HA PHE A1091 -2.531 -51.219 16.222 1.00 45.35 H new ATOM 0 HB2 PHE A1091 -1.250 -49.325 14.815 1.00 24.32 H new ATOM 0 HB3 PHE A1091 -2.840 -48.587 14.803 1.00 24.32 H new ATOM 0 HD1 PHE A1091 -0.334 -50.065 17.144 1.00 74.11 H new ATOM 0 HD2 PHE A1091 -3.535 -47.304 16.629 1.00 0.45 H new ATOM 0 HE1 PHE A1091 0.059 -49.191 19.408 1.00 10.24 H new ATOM 0 HE2 PHE A1091 -3.143 -46.424 18.888 1.00 63.40 H new ATOM 0 HZ PHE A1091 -1.346 -47.366 20.283 1.00 32.30 H new ATOM 631 N PHE A1092 -4.912 -49.867 14.352 1.00 40.50 N ATOM 632 CA PHE A1092 -6.353 -49.667 14.258 1.00 53.22 C ATOM 633 C PHE A1092 -6.998 -50.753 13.402 1.00 52.33 C ATOM 634 O PHE A1092 -8.148 -50.627 12.980 1.00 12.20 O ATOM 635 CB PHE A1092 -6.662 -48.289 13.671 1.00 42.00 C ATOM 636 CG PHE A1092 -6.081 -47.154 14.466 1.00 62.31 C ATOM 637 CD1 PHE A1092 -6.643 -46.781 15.678 1.00 14.44 C ATOM 638 CD2 PHE A1092 -4.975 -46.461 14.003 1.00 62.14 C ATOM 639 CE1 PHE A1092 -6.111 -45.738 16.412 1.00 64.22 C ATOM 640 CE2 PHE A1092 -4.438 -45.417 14.734 1.00 1.03 C ATOM 641 CZ PHE A1092 -5.007 -45.055 15.939 1.00 64.21 C ATOM 0 H PHE A1092 -4.379 -49.453 13.588 1.00 40.50 H new ATOM 0 HA PHE A1092 -6.769 -49.727 15.264 1.00 53.22 H new ATOM 0 HB2 PHE A1092 -6.277 -48.243 12.652 1.00 42.00 H new ATOM 0 HB3 PHE A1092 -7.743 -48.163 13.610 1.00 42.00 H new ATOM 0 HD1 PHE A1092 -7.506 -47.312 16.052 1.00 14.44 H new ATOM 0 HD2 PHE A1092 -4.527 -46.739 13.061 1.00 62.14 H new ATOM 0 HE1 PHE A1092 -6.558 -45.457 17.354 1.00 64.22 H new ATOM 0 HE2 PHE A1092 -3.574 -44.885 14.363 1.00 1.03 H new ATOM 0 HZ PHE A1092 -4.590 -44.239 16.511 1.00 64.21 H new ATOM 651 N LYS A1093 -6.249 -51.820 13.148 1.00 34.44 N ATOM 652 CA LYS A1093 -6.745 -52.931 12.343 1.00 53.04 C ATOM 653 C LYS A1093 -7.363 -54.009 13.226 1.00 21.11 C ATOM 654 O LYS A1093 -7.273 -53.948 14.453 1.00 31.20 O ATOM 655 CB LYS A1093 -5.610 -53.529 11.508 1.00 1.10 C ATOM 656 CG LYS A1093 -6.079 -54.155 10.207 1.00 35.13 C ATOM 657 CD LYS A1093 -5.452 -53.473 9.002 1.00 31.33 C ATOM 658 CE LYS A1093 -5.651 -54.289 7.734 1.00 35.22 C ATOM 659 NZ LYS A1093 -6.931 -53.954 7.053 1.00 24.12 N ATOM 0 H LYS A1093 -5.295 -51.940 13.488 1.00 34.44 H new ATOM 0 HA LYS A1093 -7.516 -52.547 11.675 1.00 53.04 H new ATOM 0 HB2 LYS A1093 -4.884 -52.748 11.285 1.00 1.10 H new ATOM 0 HB3 LYS A1093 -5.094 -54.285 12.100 1.00 1.10 H new ATOM 0 HG2 LYS A1093 -5.825 -55.215 10.200 1.00 35.13 H new ATOM 0 HG3 LYS A1093 -7.165 -54.087 10.140 1.00 35.13 H new ATOM 0 HD2 LYS A1093 -5.892 -52.484 8.872 1.00 31.33 H new ATOM 0 HD3 LYS A1093 -4.386 -53.327 9.179 1.00 31.33 H new ATOM 0 HE2 LYS A1093 -4.819 -54.109 7.053 1.00 35.22 H new ATOM 0 HE3 LYS A1093 -5.638 -55.351 7.980 1.00 35.22 H new ATOM 0 HZ1 LYS A1093 -7.029 -54.532 6.194 1.00 24.12 H new ATOM 0 HZ2 LYS A1093 -7.727 -54.149 7.694 1.00 24.12 H new ATOM 0 HZ3 LYS A1093 -6.934 -52.947 6.795 1.00 24.12 H new ATOM 673 N ARG A1094 -7.990 -54.997 12.595 1.00 22.13 N ATOM 674 CA ARG A1094 -8.623 -56.089 13.324 1.00 21.44 C ATOM 675 C ARG A1094 -7.649 -56.717 14.318 1.00 5.23 C ATOM 676 O ARG A1094 -7.829 -56.611 15.529 1.00 63.21 O ATOM 677 CB ARG A1094 -9.132 -57.153 12.350 1.00 34.01 C ATOM 678 CG ARG A1094 -10.205 -58.055 12.938 1.00 72.24 C ATOM 679 CD ARG A1094 -11.567 -57.378 12.929 1.00 1.21 C ATOM 680 NE ARG A1094 -11.771 -56.543 14.110 1.00 61.11 N ATOM 681 CZ ARG A1094 -12.897 -55.883 14.357 1.00 33.21 C ATOM 682 NH1 ARG A1094 -13.915 -55.961 13.511 1.00 52.13 N ATOM 683 NH2 ARG A1094 -13.007 -55.144 15.454 1.00 2.24 N ATOM 0 H ARG A1094 -8.073 -55.063 11.581 1.00 22.13 H new ATOM 0 HA ARG A1094 -9.468 -55.680 13.879 1.00 21.44 H new ATOM 0 HB2 ARG A1094 -9.530 -56.660 11.463 1.00 34.01 H new ATOM 0 HB3 ARG A1094 -8.292 -57.767 12.024 1.00 34.01 H new ATOM 0 HG2 ARG A1094 -10.255 -58.983 12.368 1.00 72.24 H new ATOM 0 HG3 ARG A1094 -9.937 -58.323 13.960 1.00 72.24 H new ATOM 0 HD2 ARG A1094 -11.662 -56.766 12.032 1.00 1.21 H new ATOM 0 HD3 ARG A1094 -12.348 -58.136 12.882 1.00 1.21 H new ATOM 0 HE ARG A1094 -11.007 -56.462 14.781 1.00 61.11 H new ATOM 0 HH11 ARG A1094 -13.835 -56.529 12.668 1.00 52.13 H new ATOM 0 HH12 ARG A1094 -14.778 -55.453 13.704 1.00 52.13 H new ATOM 0 HH21 ARG A1094 -12.227 -55.083 16.108 1.00 2.24 H new ATOM 0 HH22 ARG A1094 -13.872 -54.637 15.643 1.00 2.24 H new ATOM 697 N ASN A1095 -6.618 -57.371 13.793 1.00 72.44 N ATOM 698 CA ASN A1095 -5.615 -58.016 14.634 1.00 24.44 C ATOM 699 C ASN A1095 -4.951 -57.005 15.562 1.00 54.34 C ATOM 700 O ASN A1095 -4.189 -56.145 15.118 1.00 13.42 O ATOM 701 CB ASN A1095 -4.558 -58.703 13.767 1.00 42.34 C ATOM 702 CG ASN A1095 -3.946 -59.911 14.448 1.00 21.13 C ATOM 703 OD1 ASN A1095 -2.816 -59.859 14.933 1.00 70.14 O ATOM 704 ND2 ASN A1095 -4.693 -61.008 14.487 1.00 21.51 N ATOM 0 H ASN A1095 -6.455 -57.469 12.791 1.00 72.44 H new ATOM 0 HA ASN A1095 -6.117 -58.766 15.245 1.00 24.44 H new ATOM 0 HB2 ASN A1095 -5.010 -59.011 12.824 1.00 42.34 H new ATOM 0 HB3 ASN A1095 -3.771 -57.989 13.525 1.00 42.34 H new ATOM 0 HD21 ASN A1095 -4.335 -61.853 14.932 1.00 21.51 H new ATOM 0 HD22 ASN A1095 -5.625 -61.006 14.072 1.00 21.51 H new ATOM 711 N LEU A1096 -5.242 -57.114 16.853 1.00 3.40 N ATOM 712 CA LEU A1096 -4.672 -56.209 17.845 1.00 31.30 C ATOM 713 C LEU A1096 -3.440 -56.825 18.501 1.00 11.34 C ATOM 714 O LEU A1096 -3.491 -57.942 19.017 1.00 62.20 O ATOM 715 CB LEU A1096 -5.714 -55.868 18.913 1.00 1.13 C ATOM 716 CG LEU A1096 -5.580 -54.493 19.568 1.00 34.31 C ATOM 717 CD1 LEU A1096 -4.203 -54.334 20.195 1.00 51.51 C ATOM 718 CD2 LEU A1096 -5.836 -53.390 18.551 1.00 30.03 C ATOM 0 H LEU A1096 -5.869 -57.820 17.238 1.00 3.40 H new ATOM 0 HA LEU A1096 -4.371 -55.295 17.334 1.00 31.30 H new ATOM 0 HB2 LEU A1096 -6.704 -55.938 18.462 1.00 1.13 H new ATOM 0 HB3 LEU A1096 -5.666 -56.627 19.694 1.00 1.13 H new ATOM 0 HG LEU A1096 -6.328 -54.412 20.357 1.00 34.31 H new ATOM 0 HD11 LEU A1096 -4.125 -53.350 20.657 1.00 51.51 H new ATOM 0 HD12 LEU A1096 -4.058 -55.103 20.954 1.00 51.51 H new ATOM 0 HD13 LEU A1096 -3.439 -54.435 19.425 1.00 51.51 H new ATOM 0 HD21 LEU A1096 -5.736 -52.418 19.035 1.00 30.03 H new ATOM 0 HD22 LEU A1096 -5.112 -53.467 17.740 1.00 30.03 H new ATOM 0 HD23 LEU A1096 -6.844 -53.493 18.148 1.00 30.03 H new ATOM 730 N LYS A1097 -2.334 -56.091 18.477 1.00 4.51 N ATOM 731 CA LYS A1097 -1.088 -56.562 19.072 1.00 3.31 C ATOM 732 C LYS A1097 -0.615 -55.612 20.167 1.00 23.14 C ATOM 733 O LYS A1097 -1.147 -54.514 20.322 1.00 0.14 O ATOM 734 CB LYS A1097 -0.007 -56.699 17.997 1.00 73.13 C ATOM 735 CG LYS A1097 -0.312 -57.764 16.960 1.00 12.32 C ATOM 736 CD LYS A1097 0.675 -57.716 15.804 1.00 22.20 C ATOM 737 CE LYS A1097 0.577 -58.961 14.935 1.00 64.25 C ATOM 738 NZ LYS A1097 1.037 -60.179 15.658 1.00 53.35 N ATOM 0 H LYS A1097 -2.274 -55.166 18.051 1.00 4.51 H new ATOM 0 HA LYS A1097 -1.273 -57.539 19.519 1.00 3.31 H new ATOM 0 HB2 LYS A1097 0.117 -55.740 17.495 1.00 73.13 H new ATOM 0 HB3 LYS A1097 0.943 -56.933 18.477 1.00 73.13 H new ATOM 0 HG2 LYS A1097 -0.279 -58.748 17.427 1.00 12.32 H new ATOM 0 HG3 LYS A1097 -1.325 -57.625 16.581 1.00 12.32 H new ATOM 0 HD2 LYS A1097 0.483 -56.831 15.197 1.00 22.20 H new ATOM 0 HD3 LYS A1097 1.689 -57.622 16.193 1.00 22.20 H new ATOM 0 HE2 LYS A1097 -0.455 -59.098 14.612 1.00 64.25 H new ATOM 0 HE3 LYS A1097 1.177 -58.824 14.035 1.00 64.25 H new ATOM 0 HZ1 LYS A1097 1.262 -60.926 14.971 1.00 53.35 H new ATOM 0 HZ2 LYS A1097 1.886 -59.953 16.214 1.00 53.35 H new ATOM 0 HZ3 LYS A1097 0.284 -60.510 16.295 1.00 53.35 H new ATOM 752 N GLU A1098 0.390 -56.044 20.924 1.00 22.41 N ATOM 753 CA GLU A1098 0.934 -55.231 22.005 1.00 42.52 C ATOM 754 C GLU A1098 2.449 -55.098 21.875 1.00 73.34 C ATOM 755 O GLU A1098 3.171 -55.093 22.872 1.00 44.53 O ATOM 756 CB GLU A1098 0.579 -55.842 23.362 1.00 15.32 C ATOM 757 CG GLU A1098 0.565 -54.834 24.498 1.00 74.32 C ATOM 758 CD GLU A1098 -0.296 -55.280 25.664 1.00 14.10 C ATOM 759 OE1 GLU A1098 0.200 -56.060 26.504 1.00 41.13 O ATOM 760 OE2 GLU A1098 -1.466 -54.850 25.735 1.00 64.40 O ATOM 0 H GLU A1098 0.843 -56.951 20.808 1.00 22.41 H new ATOM 0 HA GLU A1098 0.491 -54.237 21.936 1.00 42.52 H new ATOM 0 HB2 GLU A1098 -0.401 -56.313 23.294 1.00 15.32 H new ATOM 0 HB3 GLU A1098 1.296 -56.630 23.595 1.00 15.32 H new ATOM 0 HG2 GLU A1098 1.585 -54.671 24.846 1.00 74.32 H new ATOM 0 HG3 GLU A1098 0.198 -53.878 24.125 1.00 74.32 H new ATOM 767 N LYS A1099 2.924 -54.991 20.638 1.00 61.24 N ATOM 768 CA LYS A1099 4.352 -54.857 20.376 1.00 43.01 C ATOM 769 C LYS A1099 4.811 -53.418 20.586 1.00 55.22 C ATOM 770 O LYS A1099 5.936 -53.173 21.020 1.00 72.33 O ATOM 771 CB LYS A1099 4.672 -55.303 18.948 1.00 0.52 C ATOM 772 CG LYS A1099 6.116 -55.057 18.543 1.00 45.12 C ATOM 773 CD LYS A1099 6.438 -55.703 17.207 1.00 4.33 C ATOM 774 CE LYS A1099 6.644 -57.203 17.348 1.00 51.34 C ATOM 775 NZ LYS A1099 6.693 -57.884 16.025 1.00 5.13 N ATOM 0 H LYS A1099 2.340 -54.995 19.801 1.00 61.24 H new ATOM 0 HA LYS A1099 4.887 -55.496 21.079 1.00 43.01 H new ATOM 0 HB2 LYS A1099 4.452 -56.366 18.850 1.00 0.52 H new ATOM 0 HB3 LYS A1099 4.015 -54.777 18.256 1.00 0.52 H new ATOM 0 HG2 LYS A1099 6.300 -53.984 18.483 1.00 45.12 H new ATOM 0 HG3 LYS A1099 6.782 -55.453 19.310 1.00 45.12 H new ATOM 0 HD2 LYS A1099 5.628 -55.511 16.504 1.00 4.33 H new ATOM 0 HD3 LYS A1099 7.337 -55.249 16.789 1.00 4.33 H new ATOM 0 HE2 LYS A1099 7.571 -57.393 17.888 1.00 51.34 H new ATOM 0 HE3 LYS A1099 5.835 -57.626 17.944 1.00 51.34 H new ATOM 0 HZ1 LYS A1099 6.835 -58.905 16.165 1.00 5.13 H new ATOM 0 HZ2 LYS A1099 5.798 -57.725 15.519 1.00 5.13 H new ATOM 0 HZ3 LYS A1099 7.480 -57.499 15.465 1.00 5.13 H new ATOM 789 N MET A1100 3.933 -52.470 20.277 1.00 24.01 N ATOM 790 CA MET A1100 4.249 -51.055 20.436 1.00 31.03 C ATOM 791 C MET A1100 3.395 -50.427 21.532 1.00 72.45 C ATOM 792 O MET A1100 2.200 -50.200 21.348 1.00 32.01 O ATOM 793 CB MET A1100 4.032 -50.312 19.116 1.00 42.22 C ATOM 794 CG MET A1100 4.365 -48.830 19.191 1.00 32.44 C ATOM 795 SD MET A1100 6.095 -48.527 19.598 1.00 61.11 S ATOM 796 CE MET A1100 6.908 -49.240 18.170 1.00 61.14 C ATOM 0 H MET A1100 2.998 -52.655 19.915 1.00 24.01 H new ATOM 0 HA MET A1100 5.297 -50.972 20.724 1.00 31.03 H new ATOM 0 HB2 MET A1100 4.645 -50.775 18.343 1.00 42.22 H new ATOM 0 HB3 MET A1100 2.992 -50.427 18.810 1.00 42.22 H new ATOM 0 HG2 MET A1100 4.133 -48.361 18.235 1.00 32.44 H new ATOM 0 HG3 MET A1100 3.731 -48.357 19.941 1.00 32.44 H new ATOM 0 HE1 MET A1100 7.929 -48.862 18.106 1.00 61.14 H new ATOM 0 HE2 MET A1100 6.928 -50.325 18.267 1.00 61.14 H new ATOM 0 HE3 MET A1100 6.363 -48.967 17.267 1.00 61.14 H new ATOM 806 N GLU A1101 4.017 -50.149 22.674 1.00 53.22 N ATOM 807 CA GLU A1101 3.313 -49.548 23.801 1.00 50.01 C ATOM 808 C GLU A1101 4.036 -48.297 24.290 1.00 62.31 C ATOM 809 O GLU A1101 4.340 -48.166 25.475 1.00 33.02 O ATOM 810 CB GLU A1101 3.182 -50.555 24.944 1.00 71.34 C ATOM 811 CG GLU A1101 1.974 -50.312 25.835 1.00 11.23 C ATOM 812 CD GLU A1101 0.693 -50.867 25.243 1.00 10.51 C ATOM 813 OE1 GLU A1101 0.200 -50.289 24.251 1.00 62.33 O ATOM 814 OE2 GLU A1101 0.184 -51.877 25.770 1.00 61.42 O ATOM 0 H GLU A1101 5.006 -50.330 22.843 1.00 53.22 H new ATOM 0 HA GLU A1101 2.317 -49.261 23.463 1.00 50.01 H new ATOM 0 HB2 GLU A1101 3.118 -51.560 24.526 1.00 71.34 H new ATOM 0 HB3 GLU A1101 4.085 -50.520 25.553 1.00 71.34 H new ATOM 0 HG2 GLU A1101 2.148 -50.769 26.809 1.00 11.23 H new ATOM 0 HG3 GLU A1101 1.859 -49.241 26.001 1.00 11.23 H new ATOM 821 N ALA A1102 4.309 -47.380 23.368 1.00 43.41 N ATOM 822 CA ALA A1102 4.995 -46.138 23.705 1.00 4.12 C ATOM 823 C ALA A1102 4.167 -45.299 24.673 1.00 55.23 C ATOM 824 O ALA A1102 2.949 -45.447 24.754 1.00 11.03 O ATOM 825 CB ALA A1102 5.300 -45.344 22.443 1.00 4.14 C ATOM 0 H ALA A1102 4.066 -47.473 22.382 1.00 43.41 H new ATOM 0 HA ALA A1102 5.934 -46.392 24.197 1.00 4.12 H new ATOM 0 HB1 ALA A1102 5.812 -44.419 22.710 1.00 4.14 H new ATOM 0 HB2 ALA A1102 5.938 -45.936 21.786 1.00 4.14 H new ATOM 0 HB3 ALA A1102 4.369 -45.107 21.928 1.00 4.14 H new ATOM 831 N GLY A1103 4.840 -44.417 25.408 1.00 23.11 N ATOM 832 CA GLY A1103 4.150 -43.569 26.363 1.00 2.54 C ATOM 833 C GLY A1103 4.638 -43.777 27.782 1.00 3.31 C ATOM 834 O GLY A1103 5.369 -44.735 28.030 1.00 5.04 O ATOM 0 H GLY A1103 5.849 -44.275 25.359 1.00 23.11 H new ATOM 0 HA2 GLY A1103 4.289 -42.525 26.084 1.00 2.54 H new ATOM 0 HA3 GLY A1103 3.080 -43.771 26.317 1.00 2.54 H new TER 838 GLY A1103