USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 943 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 SER OG : rot 160:sc= 0.00678 USER MOD Set 1.2: A 105 HIS : no HD1:sc= -0.352 K(o=-0.35,f=-4!) USER MOD Set 2.1: A 9 SER OG : rot -116:sc= 0.0798 USER MOD Set 2.2: A 59 SER OG : rot -133:sc= 0.488 USER MOD Single : A 1 MET CE :methyl -136:sc= -1.02 (180deg=-3.48!) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.00934 (180deg=0) USER MOD Single : A 4 TYR OH : rot -111:sc= 0.606 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0115) USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= 0.499 (180deg=-0.0418) USER MOD Single : A 20 LYS NZ :NH3+ -155:sc= 0.429 (180deg=-0.487) USER MOD Single : A 21 MET CE :methyl -168:sc= -0.0647 (180deg=-0.333) USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= -0.0606 (180deg=-0.286) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 31 THR OG1 : rot 37:sc= 0.392 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -160:sc= -0.628 USER MOD Single : A 39 LYS NZ :NH3+ -139:sc= -0.526 (180deg=-2.92!) USER MOD Single : A 40 LYS NZ :NH3+ 137:sc= 1.04 (180deg=0.0134) USER MOD Single : A 41 TYR OH : rot -164:sc= 0.507 USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= 1.86 (180deg=1.5) USER MOD Single : A 49 SER OG : rot 14:sc= 0.358 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0224 K(o=-0.022,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= 0.427 (180deg=0.273) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -150:sc= -0.568 (180deg=-1.72!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= 0.503 (180deg=0.487) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS :FLIP no HD1:sc= -0.0161 F(o=-1.1,f=-0.016) USER MOD Single : A 107 HIS : no HD1:sc= 0.0109 X(o=0.011,f=-0.16) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0355 X(o=-0.035,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.667 -2.068 13.204 1.00 44.44 N ATOM 2 CA MET A 1 -10.766 -1.292 11.947 1.00 3.10 C ATOM 3 C MET A 1 -9.959 -1.967 10.840 1.00 55.42 C ATOM 4 O MET A 1 -8.845 -2.450 11.081 1.00 4.45 O ATOM 5 CB MET A 1 -10.305 0.174 12.158 1.00 53.14 C ATOM 6 CG MET A 1 -10.392 1.058 10.902 1.00 13.52 C ATOM 7 SD MET A 1 -10.246 2.813 11.265 1.00 2.23 S ATOM 8 CE MET A 1 -10.448 3.545 9.642 1.00 34.15 C ATOM 0 H1 MET A 1 -10.527 -1.418 14.003 1.00 44.44 H new ATOM 0 H2 MET A 1 -11.543 -2.610 13.348 1.00 44.44 H new ATOM 0 H3 MET A 1 -9.861 -2.723 13.145 1.00 44.44 H new ATOM 0 HA MET A 1 -11.812 -1.267 11.642 1.00 3.10 H new ATOM 0 HB2 MET A 1 -10.911 0.622 12.945 1.00 53.14 H new ATOM 0 HB3 MET A 1 -9.274 0.170 12.513 1.00 53.14 H new ATOM 0 HG2 MET A 1 -9.604 0.770 10.207 1.00 13.52 H new ATOM 0 HG3 MET A 1 -11.342 0.874 10.401 1.00 13.52 H new ATOM 0 HE1 MET A 1 -9.705 4.330 9.502 1.00 34.15 H new ATOM 0 HE2 MET A 1 -10.315 2.779 8.878 1.00 34.15 H new ATOM 0 HE3 MET A 1 -11.447 3.972 9.557 1.00 34.15 H new ATOM 20 N LEU A 2 -10.540 -2.001 9.629 1.00 45.42 N ATOM 21 CA LEU A 2 -9.905 -2.603 8.455 1.00 23.43 C ATOM 22 C LEU A 2 -8.711 -1.739 7.997 1.00 52.12 C ATOM 23 O LEU A 2 -8.886 -0.655 7.441 1.00 75.41 O ATOM 24 CB LEU A 2 -10.956 -2.767 7.325 1.00 70.41 C ATOM 25 CG LEU A 2 -12.224 -3.601 7.690 1.00 63.11 C ATOM 26 CD1 LEU A 2 -13.167 -3.745 6.480 1.00 61.50 C ATOM 27 CD2 LEU A 2 -11.848 -4.975 8.285 1.00 44.01 C ATOM 0 H LEU A 2 -11.463 -1.611 9.441 1.00 45.42 H new ATOM 0 HA LEU A 2 -9.520 -3.590 8.710 1.00 23.43 H new ATOM 0 HB2 LEU A 2 -11.276 -1.775 7.006 1.00 70.41 H new ATOM 0 HB3 LEU A 2 -10.471 -3.235 6.469 1.00 70.41 H new ATOM 0 HG LEU A 2 -12.765 -3.054 8.462 1.00 63.11 H new ATOM 0 HD11 LEU A 2 -14.040 -4.331 6.767 1.00 61.50 H new ATOM 0 HD12 LEU A 2 -13.486 -2.757 6.148 1.00 61.50 H new ATOM 0 HD13 LEU A 2 -12.643 -4.249 5.668 1.00 61.50 H new ATOM 0 HD21 LEU A 2 -12.756 -5.527 8.527 1.00 44.01 H new ATOM 0 HD22 LEU A 2 -11.263 -5.539 7.558 1.00 44.01 H new ATOM 0 HD23 LEU A 2 -11.259 -4.830 9.191 1.00 44.01 H new ATOM 39 N LEU A 3 -7.496 -2.223 8.294 1.00 65.53 N ATOM 40 CA LEU A 3 -6.229 -1.555 7.941 1.00 52.23 C ATOM 41 C LEU A 3 -5.410 -2.489 7.029 1.00 4.14 C ATOM 42 O LEU A 3 -4.987 -3.573 7.461 1.00 53.11 O ATOM 43 CB LEU A 3 -5.447 -1.206 9.244 1.00 34.51 C ATOM 44 CG LEU A 3 -6.177 -0.256 10.250 1.00 51.00 C ATOM 45 CD1 LEU A 3 -5.336 -0.025 11.530 1.00 62.12 C ATOM 46 CD2 LEU A 3 -6.555 1.081 9.582 1.00 34.45 C ATOM 0 H LEU A 3 -7.361 -3.102 8.793 1.00 65.53 H new ATOM 0 HA LEU A 3 -6.423 -0.627 7.404 1.00 52.23 H new ATOM 0 HB2 LEU A 3 -5.209 -2.136 9.761 1.00 34.51 H new ATOM 0 HB3 LEU A 3 -4.500 -0.746 8.963 1.00 34.51 H new ATOM 0 HG LEU A 3 -7.100 -0.750 10.552 1.00 51.00 H new ATOM 0 HD11 LEU A 3 -5.875 0.640 12.205 1.00 62.12 H new ATOM 0 HD12 LEU A 3 -5.158 -0.979 12.026 1.00 62.12 H new ATOM 0 HD13 LEU A 3 -4.381 0.427 11.261 1.00 62.12 H new ATOM 0 HD21 LEU A 3 -7.061 1.719 10.306 1.00 34.45 H new ATOM 0 HD22 LEU A 3 -5.652 1.579 9.227 1.00 34.45 H new ATOM 0 HD23 LEU A 3 -7.220 0.892 8.739 1.00 34.45 H new ATOM 58 N TYR A 4 -5.218 -2.081 5.762 1.00 22.52 N ATOM 59 CA TYR A 4 -4.524 -2.900 4.744 1.00 15.34 C ATOM 60 C TYR A 4 -3.326 -2.143 4.174 1.00 54.13 C ATOM 61 O TYR A 4 -3.251 -0.915 4.260 1.00 53.43 O ATOM 62 CB TYR A 4 -5.488 -3.272 3.592 1.00 30.03 C ATOM 63 CG TYR A 4 -6.753 -4.011 4.050 1.00 62.14 C ATOM 64 CD1 TYR A 4 -6.717 -5.362 4.406 1.00 75.14 C ATOM 65 CD2 TYR A 4 -7.983 -3.352 4.128 1.00 22.05 C ATOM 66 CE1 TYR A 4 -7.860 -6.022 4.822 1.00 24.53 C ATOM 67 CE2 TYR A 4 -9.120 -4.014 4.540 1.00 63.44 C ATOM 68 CZ TYR A 4 -9.057 -5.340 4.885 1.00 64.34 C ATOM 69 OH TYR A 4 -10.196 -5.983 5.311 1.00 30.32 O ATOM 0 H TYR A 4 -5.537 -1.177 5.413 1.00 22.52 H new ATOM 0 HA TYR A 4 -4.177 -3.813 5.229 1.00 15.34 H new ATOM 0 HB2 TYR A 4 -5.781 -2.362 3.069 1.00 30.03 H new ATOM 0 HB3 TYR A 4 -4.956 -3.895 2.874 1.00 30.03 H new ATOM 0 HD1 TYR A 4 -5.782 -5.900 4.356 1.00 75.14 H new ATOM 0 HD2 TYR A 4 -8.044 -2.307 3.861 1.00 22.05 H new ATOM 0 HE1 TYR A 4 -7.815 -7.066 5.096 1.00 24.53 H new ATOM 0 HE2 TYR A 4 -10.062 -3.488 4.591 1.00 63.44 H new ATOM 0 HH TYR A 4 -10.814 -6.088 4.557 1.00 30.32 H new ATOM 79 N VAL A 5 -2.396 -2.906 3.597 1.00 22.31 N ATOM 80 CA VAL A 5 -1.189 -2.392 2.937 1.00 63.45 C ATOM 81 C VAL A 5 -1.075 -3.037 1.538 1.00 12.21 C ATOM 82 O VAL A 5 -1.138 -4.259 1.410 1.00 4.34 O ATOM 83 CB VAL A 5 0.107 -2.706 3.799 1.00 33.23 C ATOM 84 CG1 VAL A 5 1.391 -2.225 3.093 1.00 43.33 C ATOM 85 CG2 VAL A 5 -0.001 -2.087 5.219 1.00 2.01 C ATOM 0 H VAL A 5 -2.461 -3.924 3.574 1.00 22.31 H new ATOM 0 HA VAL A 5 -1.265 -1.309 2.840 1.00 63.45 H new ATOM 0 HB VAL A 5 0.170 -3.789 3.902 1.00 33.23 H new ATOM 0 HG11 VAL A 5 2.256 -2.458 3.714 1.00 43.33 H new ATOM 0 HG12 VAL A 5 1.488 -2.729 2.131 1.00 43.33 H new ATOM 0 HG13 VAL A 5 1.337 -1.148 2.934 1.00 43.33 H new ATOM 0 HG21 VAL A 5 0.901 -2.318 5.786 1.00 2.01 H new ATOM 0 HG22 VAL A 5 -0.111 -1.006 5.137 1.00 2.01 H new ATOM 0 HG23 VAL A 5 -0.869 -2.502 5.732 1.00 2.01 H new ATOM 95 N LEU A 6 -0.956 -2.201 0.493 1.00 0.41 N ATOM 96 CA LEU A 6 -0.723 -2.641 -0.896 1.00 21.35 C ATOM 97 C LEU A 6 0.637 -2.100 -1.347 1.00 71.41 C ATOM 98 O LEU A 6 0.842 -0.899 -1.318 1.00 12.11 O ATOM 99 CB LEU A 6 -1.847 -2.099 -1.832 1.00 11.53 C ATOM 100 CG LEU A 6 -3.315 -2.450 -1.435 1.00 64.43 C ATOM 101 CD1 LEU A 6 -4.330 -1.906 -2.471 1.00 32.31 C ATOM 102 CD2 LEU A 6 -3.498 -3.961 -1.210 1.00 11.14 C ATOM 0 H LEU A 6 -1.019 -1.187 0.589 1.00 0.41 H new ATOM 0 HA LEU A 6 -0.733 -3.730 -0.947 1.00 21.35 H new ATOM 0 HB2 LEU A 6 -1.757 -1.014 -1.880 1.00 11.53 H new ATOM 0 HB3 LEU A 6 -1.666 -2.479 -2.838 1.00 11.53 H new ATOM 0 HG LEU A 6 -3.518 -1.954 -0.486 1.00 64.43 H new ATOM 0 HD11 LEU A 6 -5.342 -2.169 -2.162 1.00 32.31 H new ATOM 0 HD12 LEU A 6 -4.240 -0.822 -2.534 1.00 32.31 H new ATOM 0 HD13 LEU A 6 -4.123 -2.344 -3.447 1.00 32.31 H new ATOM 0 HD21 LEU A 6 -4.533 -4.165 -0.935 1.00 11.14 H new ATOM 0 HD22 LEU A 6 -3.253 -4.498 -2.127 1.00 11.14 H new ATOM 0 HD23 LEU A 6 -2.838 -4.292 -0.408 1.00 11.14 H new ATOM 114 N ILE A 7 1.569 -2.964 -1.755 1.00 73.51 N ATOM 115 CA ILE A 7 2.920 -2.515 -2.150 1.00 34.20 C ATOM 116 C ILE A 7 3.143 -2.688 -3.670 1.00 33.03 C ATOM 117 O ILE A 7 3.207 -3.812 -4.179 1.00 1.44 O ATOM 118 CB ILE A 7 4.048 -3.237 -1.315 1.00 40.34 C ATOM 119 CG1 ILE A 7 5.457 -2.718 -1.752 1.00 22.10 C ATOM 120 CG2 ILE A 7 3.957 -4.787 -1.396 1.00 5.32 C ATOM 121 CD1 ILE A 7 6.603 -3.243 -0.927 1.00 1.33 C ATOM 0 H ILE A 7 1.422 -3.971 -1.823 1.00 73.51 H new ATOM 0 HA ILE A 7 2.988 -1.451 -1.922 1.00 34.20 H new ATOM 0 HB ILE A 7 3.892 -2.984 -0.266 1.00 40.34 H new ATOM 0 HG12 ILE A 7 5.623 -2.990 -2.794 1.00 22.10 H new ATOM 0 HG13 ILE A 7 5.460 -1.629 -1.702 1.00 22.10 H new ATOM 0 HG21 ILE A 7 4.757 -5.230 -0.803 1.00 5.32 H new ATOM 0 HG22 ILE A 7 2.993 -5.116 -1.008 1.00 5.32 H new ATOM 0 HG23 ILE A 7 4.057 -5.104 -2.434 1.00 5.32 H new ATOM 0 HD11 ILE A 7 7.540 -2.831 -1.302 1.00 1.33 H new ATOM 0 HD12 ILE A 7 6.467 -2.948 0.114 1.00 1.33 H new ATOM 0 HD13 ILE A 7 6.632 -4.330 -0.995 1.00 1.33 H new ATOM 133 N ILE A 8 3.234 -1.560 -4.401 1.00 42.24 N ATOM 134 CA ILE A 8 3.573 -1.567 -5.835 1.00 2.55 C ATOM 135 C ILE A 8 5.095 -1.449 -5.958 1.00 24.11 C ATOM 136 O ILE A 8 5.652 -0.356 -5.799 1.00 13.44 O ATOM 137 CB ILE A 8 2.889 -0.374 -6.605 1.00 3.02 C ATOM 138 CG1 ILE A 8 1.379 -0.283 -6.241 1.00 50.34 C ATOM 139 CG2 ILE A 8 3.092 -0.517 -8.142 1.00 3.15 C ATOM 140 CD1 ILE A 8 0.634 0.839 -6.916 1.00 73.44 C ATOM 0 H ILE A 8 3.076 -0.628 -4.018 1.00 42.24 H new ATOM 0 HA ILE A 8 3.209 -2.493 -6.281 1.00 2.55 H new ATOM 0 HB ILE A 8 3.366 0.555 -6.294 1.00 3.02 H new ATOM 0 HG12 ILE A 8 0.899 -1.227 -6.500 1.00 50.34 H new ATOM 0 HG13 ILE A 8 1.286 -0.164 -5.161 1.00 50.34 H new ATOM 0 HG21 ILE A 8 2.611 0.318 -8.652 1.00 3.15 H new ATOM 0 HG22 ILE A 8 4.158 -0.516 -8.370 1.00 3.15 H new ATOM 0 HG23 ILE A 8 2.649 -1.453 -8.482 1.00 3.15 H new ATOM 0 HD11 ILE A 8 -0.410 0.823 -6.602 1.00 73.44 H new ATOM 0 HD12 ILE A 8 1.082 1.793 -6.638 1.00 73.44 H new ATOM 0 HD13 ILE A 8 0.690 0.714 -7.997 1.00 73.44 H new ATOM 152 N SER A 9 5.758 -2.578 -6.213 1.00 70.51 N ATOM 153 CA SER A 9 7.212 -2.625 -6.336 1.00 4.42 C ATOM 154 C SER A 9 7.627 -3.850 -7.152 1.00 23.33 C ATOM 155 O SER A 9 6.999 -4.912 -7.069 1.00 22.30 O ATOM 156 CB SER A 9 7.861 -2.670 -4.924 1.00 14.24 C ATOM 157 OG SER A 9 9.276 -2.620 -4.984 1.00 74.15 O ATOM 0 H SER A 9 5.302 -3.482 -6.339 1.00 70.51 H new ATOM 0 HA SER A 9 7.557 -1.729 -6.852 1.00 4.42 H new ATOM 0 HB2 SER A 9 7.494 -1.833 -4.330 1.00 14.24 H new ATOM 0 HB3 SER A 9 7.553 -3.582 -4.413 1.00 14.24 H new ATOM 0 HG SER A 9 9.648 -3.455 -4.631 1.00 74.15 H new ATOM 163 N ASN A 10 8.667 -3.663 -7.968 1.00 63.51 N ATOM 164 CA ASN A 10 9.382 -4.763 -8.646 1.00 14.12 C ATOM 165 C ASN A 10 10.607 -5.174 -7.809 1.00 22.30 C ATOM 166 O ASN A 10 11.182 -6.243 -8.022 1.00 14.24 O ATOM 167 CB ASN A 10 9.832 -4.320 -10.058 1.00 23.20 C ATOM 168 CG ASN A 10 8.662 -3.936 -10.964 1.00 61.21 C ATOM 169 OD1 ASN A 10 8.087 -4.784 -11.654 1.00 53.33 O ATOM 170 ND2 ASN A 10 8.287 -2.665 -10.967 1.00 63.14 N ATOM 0 H ASN A 10 9.044 -2.740 -8.183 1.00 63.51 H new ATOM 0 HA ASN A 10 8.710 -5.615 -8.746 1.00 14.12 H new ATOM 0 HB2 ASN A 10 10.509 -3.470 -9.968 1.00 23.20 H new ATOM 0 HB3 ASN A 10 10.395 -5.128 -10.524 1.00 23.20 H new ATOM 0 HD21 ASN A 10 7.505 -2.365 -11.549 1.00 63.14 H new ATOM 0 HD22 ASN A 10 8.780 -1.986 -10.387 1.00 63.14 H new ATOM 177 N ASP A 11 10.977 -4.300 -6.852 1.00 30.44 N ATOM 178 CA ASP A 11 12.136 -4.471 -5.970 1.00 0.52 C ATOM 179 C ASP A 11 11.778 -5.491 -4.884 1.00 43.25 C ATOM 180 O ASP A 11 11.135 -5.146 -3.887 1.00 20.14 O ATOM 181 CB ASP A 11 12.519 -3.109 -5.340 1.00 20.00 C ATOM 182 CG ASP A 11 12.676 -1.991 -6.375 1.00 33.51 C ATOM 183 OD1 ASP A 11 13.704 -1.971 -7.088 1.00 22.13 O ATOM 184 OD2 ASP A 11 11.766 -1.140 -6.493 1.00 15.03 O ATOM 0 H ASP A 11 10.463 -3.438 -6.671 1.00 30.44 H new ATOM 0 HA ASP A 11 12.993 -4.835 -6.537 1.00 0.52 H new ATOM 0 HB2 ASP A 11 11.755 -2.822 -4.617 1.00 20.00 H new ATOM 0 HB3 ASP A 11 13.453 -3.220 -4.789 1.00 20.00 H new ATOM 189 N LYS A 12 12.179 -6.751 -5.118 1.00 45.44 N ATOM 190 CA LYS A 12 11.747 -7.912 -4.316 1.00 73.31 C ATOM 191 C LYS A 12 12.246 -7.840 -2.860 1.00 33.42 C ATOM 192 O LYS A 12 11.543 -8.293 -1.952 1.00 31.41 O ATOM 193 CB LYS A 12 12.187 -9.242 -5.001 1.00 0.00 C ATOM 194 CG LYS A 12 11.675 -9.412 -6.453 1.00 73.45 C ATOM 195 CD LYS A 12 10.130 -9.343 -6.567 1.00 21.12 C ATOM 196 CE LYS A 12 9.636 -9.430 -8.023 1.00 44.11 C ATOM 197 NZ LYS A 12 10.009 -10.713 -8.679 1.00 43.32 N ATOM 0 H LYS A 12 12.817 -6.997 -5.875 1.00 45.44 H new ATOM 0 HA LYS A 12 10.658 -7.888 -4.270 1.00 73.31 H new ATOM 0 HB2 LYS A 12 13.276 -9.292 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.831 -10.080 -4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.114 -8.636 -7.080 1.00 73.45 H new ATOM 0 HG3 LYS A 12 12.019 -10.370 -6.843 1.00 73.45 H new ATOM 0 HD2 LYS A 12 9.691 -10.156 -5.990 1.00 21.12 H new ATOM 0 HD3 LYS A 12 9.778 -8.411 -6.124 1.00 21.12 H new ATOM 0 HE2 LYS A 12 8.552 -9.318 -8.042 1.00 44.11 H new ATOM 0 HE3 LYS A 12 10.052 -8.600 -8.594 1.00 44.11 H new ATOM 0 HZ1 LYS A 12 9.595 -10.748 -9.633 1.00 43.32 H new ATOM 0 HZ2 LYS A 12 11.045 -10.779 -8.748 1.00 43.32 H new ATOM 0 HZ3 LYS A 12 9.648 -11.509 -8.115 1.00 43.32 H new ATOM 211 N LYS A 13 13.443 -7.250 -2.646 1.00 55.02 N ATOM 212 CA LYS A 13 14.006 -7.053 -1.290 1.00 15.43 C ATOM 213 C LYS A 13 13.187 -6.011 -0.509 1.00 3.52 C ATOM 214 O LYS A 13 12.944 -6.179 0.682 1.00 72.50 O ATOM 215 CB LYS A 13 15.505 -6.627 -1.338 1.00 2.52 C ATOM 216 CG LYS A 13 16.458 -7.629 -2.031 1.00 15.00 C ATOM 217 CD LYS A 13 16.403 -9.062 -1.446 1.00 72.21 C ATOM 218 CE LYS A 13 16.729 -9.134 0.059 1.00 13.01 C ATOM 219 NZ LYS A 13 16.587 -10.518 0.597 1.00 30.05 N ATOM 0 H LYS A 13 14.039 -6.901 -3.396 1.00 55.02 H new ATOM 0 HA LYS A 13 13.948 -8.012 -0.776 1.00 15.43 H new ATOM 0 HB2 LYS A 13 15.576 -5.669 -1.852 1.00 2.52 H new ATOM 0 HB3 LYS A 13 15.853 -6.468 -0.317 1.00 2.52 H new ATOM 0 HG2 LYS A 13 16.214 -7.672 -3.092 1.00 15.00 H new ATOM 0 HG3 LYS A 13 17.479 -7.256 -1.954 1.00 15.00 H new ATOM 0 HD2 LYS A 13 15.408 -9.474 -1.613 1.00 72.21 H new ATOM 0 HD3 LYS A 13 17.105 -9.694 -1.991 1.00 72.21 H new ATOM 0 HE2 LYS A 13 17.747 -8.783 0.226 1.00 13.01 H new ATOM 0 HE3 LYS A 13 16.067 -8.463 0.606 1.00 13.01 H new ATOM 0 HZ1 LYS A 13 17.274 -10.664 1.364 1.00 30.05 H new ATOM 0 HZ2 LYS A 13 15.623 -10.650 0.965 1.00 30.05 H new ATOM 0 HZ3 LYS A 13 16.765 -11.206 -0.163 1.00 30.05 H new ATOM 233 N LEU A 14 12.767 -4.944 -1.213 1.00 5.32 N ATOM 234 CA LEU A 14 11.922 -3.868 -0.648 1.00 12.35 C ATOM 235 C LEU A 14 10.550 -4.447 -0.219 1.00 30.01 C ATOM 236 O LEU A 14 10.004 -4.066 0.829 1.00 62.05 O ATOM 237 CB LEU A 14 11.792 -2.719 -1.705 1.00 1.12 C ATOM 238 CG LEU A 14 11.220 -1.321 -1.235 1.00 54.35 C ATOM 239 CD1 LEU A 14 11.694 -0.187 -2.176 1.00 40.53 C ATOM 240 CD2 LEU A 14 9.674 -1.312 -1.144 1.00 34.32 C ATOM 0 H LEU A 14 13.004 -4.800 -2.195 1.00 5.32 H new ATOM 0 HA LEU A 14 12.379 -3.446 0.247 1.00 12.35 H new ATOM 0 HB2 LEU A 14 12.781 -2.546 -2.130 1.00 1.12 H new ATOM 0 HB3 LEU A 14 11.157 -3.082 -2.513 1.00 1.12 H new ATOM 0 HG LEU A 14 11.612 -1.149 -0.232 1.00 54.35 H new ATOM 0 HD11 LEU A 14 11.288 0.764 -1.833 1.00 40.53 H new ATOM 0 HD12 LEU A 14 12.783 -0.140 -2.170 1.00 40.53 H new ATOM 0 HD13 LEU A 14 11.345 -0.386 -3.189 1.00 40.53 H new ATOM 0 HD21 LEU A 14 9.334 -0.329 -0.817 1.00 34.32 H new ATOM 0 HD22 LEU A 14 9.251 -1.535 -2.123 1.00 34.32 H new ATOM 0 HD23 LEU A 14 9.347 -2.066 -0.427 1.00 34.32 H new ATOM 252 N ILE A 15 10.027 -5.389 -1.038 1.00 32.45 N ATOM 253 CA ILE A 15 8.776 -6.124 -0.762 1.00 62.45 C ATOM 254 C ILE A 15 8.905 -6.979 0.517 1.00 13.41 C ATOM 255 O ILE A 15 7.971 -7.033 1.333 1.00 32.24 O ATOM 256 CB ILE A 15 8.360 -7.020 -1.996 1.00 44.23 C ATOM 257 CG1 ILE A 15 8.075 -6.123 -3.248 1.00 71.31 C ATOM 258 CG2 ILE A 15 7.137 -7.909 -1.668 1.00 20.31 C ATOM 259 CD1 ILE A 15 7.754 -6.886 -4.518 1.00 42.11 C ATOM 0 H ILE A 15 10.468 -5.661 -1.917 1.00 32.45 H new ATOM 0 HA ILE A 15 7.988 -5.389 -0.598 1.00 62.45 H new ATOM 0 HB ILE A 15 9.194 -7.684 -2.223 1.00 44.23 H new ATOM 0 HG12 ILE A 15 7.241 -5.459 -3.019 1.00 71.31 H new ATOM 0 HG13 ILE A 15 8.945 -5.492 -3.430 1.00 71.31 H new ATOM 0 HG21 ILE A 15 6.880 -8.511 -2.540 1.00 20.31 H new ATOM 0 HG22 ILE A 15 7.378 -8.566 -0.832 1.00 20.31 H new ATOM 0 HG23 ILE A 15 6.290 -7.278 -1.400 1.00 20.31 H new ATOM 0 HD11 ILE A 15 7.572 -6.181 -5.329 1.00 42.11 H new ATOM 0 HD12 ILE A 15 8.594 -7.529 -4.778 1.00 42.11 H new ATOM 0 HD13 ILE A 15 6.865 -7.496 -4.361 1.00 42.11 H new ATOM 271 N GLU A 16 10.083 -7.620 0.677 1.00 61.13 N ATOM 272 CA GLU A 16 10.410 -8.440 1.862 1.00 13.52 C ATOM 273 C GLU A 16 10.383 -7.599 3.147 1.00 51.31 C ATOM 274 O GLU A 16 9.650 -7.927 4.080 1.00 13.43 O ATOM 275 CB GLU A 16 11.790 -9.133 1.682 1.00 1.13 C ATOM 276 CG GLU A 16 11.784 -10.213 0.591 1.00 2.33 C ATOM 277 CD GLU A 16 13.164 -10.820 0.308 1.00 43.12 C ATOM 278 OE1 GLU A 16 13.790 -11.368 1.244 1.00 24.24 O ATOM 279 OE2 GLU A 16 13.621 -10.779 -0.857 1.00 23.41 O ATOM 0 H GLU A 16 10.834 -7.583 -0.012 1.00 61.13 H new ATOM 0 HA GLU A 16 9.647 -9.212 1.957 1.00 13.52 H new ATOM 0 HB2 GLU A 16 12.539 -8.380 1.435 1.00 1.13 H new ATOM 0 HB3 GLU A 16 12.090 -9.583 2.628 1.00 1.13 H new ATOM 0 HG2 GLU A 16 11.101 -11.010 0.886 1.00 2.33 H new ATOM 0 HG3 GLU A 16 11.392 -9.782 -0.330 1.00 2.33 H new ATOM 286 N GLU A 17 11.125 -6.477 3.145 1.00 13.25 N ATOM 287 CA GLU A 17 11.290 -5.618 4.338 1.00 35.54 C ATOM 288 C GLU A 17 9.973 -4.947 4.752 1.00 3.10 C ATOM 289 O GLU A 17 9.723 -4.738 5.953 1.00 13.14 O ATOM 290 CB GLU A 17 12.394 -4.556 4.089 1.00 61.13 C ATOM 291 CG GLU A 17 13.752 -5.139 3.641 1.00 73.43 C ATOM 292 CD GLU A 17 14.275 -6.270 4.545 1.00 23.21 C ATOM 293 OE1 GLU A 17 14.826 -5.975 5.625 1.00 31.22 O ATOM 294 OE2 GLU A 17 14.119 -7.463 4.197 1.00 24.43 O ATOM 0 H GLU A 17 11.626 -6.139 2.323 1.00 13.25 H new ATOM 0 HA GLU A 17 11.596 -6.259 5.165 1.00 35.54 H new ATOM 0 HB2 GLU A 17 12.044 -3.857 3.329 1.00 61.13 H new ATOM 0 HB3 GLU A 17 12.543 -3.983 5.004 1.00 61.13 H new ATOM 0 HG2 GLU A 17 13.656 -5.516 2.623 1.00 73.43 H new ATOM 0 HG3 GLU A 17 14.490 -4.337 3.616 1.00 73.43 H new ATOM 301 N ALA A 18 9.140 -4.623 3.749 1.00 21.20 N ATOM 302 CA ALA A 18 7.802 -4.064 3.972 1.00 35.23 C ATOM 303 C ALA A 18 6.871 -5.109 4.616 1.00 62.32 C ATOM 304 O ALA A 18 6.208 -4.819 5.619 1.00 34.34 O ATOM 305 CB ALA A 18 7.215 -3.550 2.655 1.00 3.14 C ATOM 0 H ALA A 18 9.377 -4.742 2.764 1.00 21.20 H new ATOM 0 HA ALA A 18 7.890 -3.224 4.662 1.00 35.23 H new ATOM 0 HB1 ALA A 18 6.222 -3.138 2.835 1.00 3.14 H new ATOM 0 HB2 ALA A 18 7.862 -2.773 2.247 1.00 3.14 H new ATOM 0 HB3 ALA A 18 7.143 -4.372 1.943 1.00 3.14 H new ATOM 311 N ARG A 19 6.855 -6.333 4.040 1.00 13.23 N ATOM 312 CA ARG A 19 5.981 -7.437 4.504 1.00 54.21 C ATOM 313 C ARG A 19 6.313 -7.839 5.949 1.00 33.34 C ATOM 314 O ARG A 19 5.407 -8.032 6.756 1.00 72.22 O ATOM 315 CB ARG A 19 6.083 -8.672 3.569 1.00 5.32 C ATOM 316 CG ARG A 19 5.126 -9.834 3.950 1.00 72.02 C ATOM 317 CD ARG A 19 5.332 -11.090 3.087 1.00 32.41 C ATOM 318 NE ARG A 19 6.724 -11.591 3.156 1.00 51.14 N ATOM 319 CZ ARG A 19 7.203 -12.455 4.069 1.00 63.14 C ATOM 320 NH1 ARG A 19 6.434 -12.962 5.018 1.00 14.20 N ATOM 321 NH2 ARG A 19 8.470 -12.809 4.019 1.00 1.21 N ATOM 0 H ARG A 19 7.443 -6.583 3.245 1.00 13.23 H new ATOM 0 HA ARG A 19 4.955 -7.069 4.474 1.00 54.21 H new ATOM 0 HB2 ARG A 19 5.869 -8.359 2.547 1.00 5.32 H new ATOM 0 HB3 ARG A 19 7.109 -9.041 3.582 1.00 5.32 H new ATOM 0 HG2 ARG A 19 5.276 -10.092 4.998 1.00 72.02 H new ATOM 0 HG3 ARG A 19 4.095 -9.496 3.849 1.00 72.02 H new ATOM 0 HD2 ARG A 19 4.649 -11.872 3.417 1.00 32.41 H new ATOM 0 HD3 ARG A 19 5.080 -10.863 2.051 1.00 32.41 H new ATOM 0 HE ARG A 19 7.377 -11.251 2.449 1.00 51.14 H new ATOM 0 HH11 ARG A 19 5.450 -12.700 5.071 1.00 14.20 H new ATOM 0 HH12 ARG A 19 6.825 -13.615 5.697 1.00 14.20 H new ATOM 0 HH21 ARG A 19 9.077 -12.429 3.293 1.00 1.21 H new ATOM 0 HH22 ARG A 19 8.844 -13.463 4.706 1.00 1.21 H new ATOM 335 N LYS A 20 7.623 -7.913 6.253 1.00 61.51 N ATOM 336 CA LYS A 20 8.139 -8.245 7.596 1.00 20.44 C ATOM 337 C LYS A 20 7.561 -7.285 8.661 1.00 2.42 C ATOM 338 O LYS A 20 7.093 -7.725 9.715 1.00 54.43 O ATOM 339 CB LYS A 20 9.697 -8.203 7.585 1.00 34.43 C ATOM 340 CG LYS A 20 10.359 -9.387 6.825 1.00 34.35 C ATOM 341 CD LYS A 20 11.822 -9.099 6.381 1.00 34.44 C ATOM 342 CE LYS A 20 12.776 -8.748 7.537 1.00 74.43 C ATOM 343 NZ LYS A 20 14.168 -8.524 7.050 1.00 75.41 N ATOM 0 H LYS A 20 8.359 -7.743 5.568 1.00 61.51 H new ATOM 0 HA LYS A 20 7.820 -9.253 7.859 1.00 20.44 H new ATOM 0 HB2 LYS A 20 10.021 -7.267 7.130 1.00 34.43 H new ATOM 0 HB3 LYS A 20 10.057 -8.199 8.614 1.00 34.43 H new ATOM 0 HG2 LYS A 20 10.349 -10.270 7.464 1.00 34.35 H new ATOM 0 HG3 LYS A 20 9.761 -9.624 5.945 1.00 34.35 H new ATOM 0 HD2 LYS A 20 12.210 -9.973 5.858 1.00 34.44 H new ATOM 0 HD3 LYS A 20 11.817 -8.276 5.666 1.00 34.44 H new ATOM 0 HE2 LYS A 20 12.419 -7.852 8.045 1.00 74.43 H new ATOM 0 HE3 LYS A 20 12.772 -9.554 8.271 1.00 74.43 H new ATOM 0 HZ1 LYS A 20 14.840 -8.709 7.822 1.00 75.41 H new ATOM 0 HZ2 LYS A 20 14.366 -9.167 6.257 1.00 75.41 H new ATOM 0 HZ3 LYS A 20 14.270 -7.539 6.731 1.00 75.41 H new ATOM 357 N MET A 21 7.542 -5.978 8.337 1.00 52.41 N ATOM 358 CA MET A 21 7.012 -4.934 9.240 1.00 21.34 C ATOM 359 C MET A 21 5.485 -4.930 9.301 1.00 34.14 C ATOM 360 O MET A 21 4.923 -4.581 10.341 1.00 23.31 O ATOM 361 CB MET A 21 7.539 -3.532 8.845 1.00 40.44 C ATOM 362 CG MET A 21 8.950 -3.249 9.362 1.00 24.42 C ATOM 363 SD MET A 21 9.114 -3.412 11.159 1.00 71.23 S ATOM 364 CE MET A 21 7.828 -2.311 11.758 1.00 21.01 C ATOM 0 H MET A 21 7.890 -5.616 7.449 1.00 52.41 H new ATOM 0 HA MET A 21 7.375 -5.178 10.238 1.00 21.34 H new ATOM 0 HB2 MET A 21 7.533 -3.442 7.759 1.00 40.44 H new ATOM 0 HB3 MET A 21 6.859 -2.773 9.232 1.00 40.44 H new ATOM 0 HG2 MET A 21 9.648 -3.933 8.879 1.00 24.42 H new ATOM 0 HG3 MET A 21 9.239 -2.239 9.070 1.00 24.42 H new ATOM 0 HE1 MET A 21 7.955 -2.151 12.829 1.00 21.01 H new ATOM 0 HE2 MET A 21 7.896 -1.355 11.238 1.00 21.01 H new ATOM 0 HE3 MET A 21 6.851 -2.757 11.571 1.00 21.01 H new ATOM 374 N ALA A 22 4.827 -5.281 8.184 1.00 64.43 N ATOM 375 CA ALA A 22 3.362 -5.395 8.132 1.00 71.13 C ATOM 376 C ALA A 22 2.868 -6.486 9.096 1.00 11.43 C ATOM 377 O ALA A 22 1.913 -6.274 9.842 1.00 34.33 O ATOM 378 CB ALA A 22 2.894 -5.662 6.696 1.00 61.11 C ATOM 0 H ALA A 22 5.291 -5.492 7.300 1.00 64.43 H new ATOM 0 HA ALA A 22 2.928 -4.448 8.454 1.00 71.13 H new ATOM 0 HB1 ALA A 22 1.807 -5.743 6.677 1.00 61.11 H new ATOM 0 HB2 ALA A 22 3.208 -4.840 6.052 1.00 61.11 H new ATOM 0 HB3 ALA A 22 3.334 -6.592 6.337 1.00 61.11 H new ATOM 384 N GLU A 23 3.581 -7.628 9.106 1.00 72.41 N ATOM 385 CA GLU A 23 3.283 -8.772 9.996 1.00 52.11 C ATOM 386 C GLU A 23 3.562 -8.419 11.478 1.00 54.24 C ATOM 387 O GLU A 23 2.902 -8.944 12.378 1.00 23.45 O ATOM 388 CB GLU A 23 4.111 -10.004 9.542 1.00 21.01 C ATOM 389 CG GLU A 23 3.836 -10.443 8.081 1.00 2.30 C ATOM 390 CD GLU A 23 4.801 -11.529 7.563 1.00 44.35 C ATOM 391 OE1 GLU A 23 6.035 -11.323 7.635 1.00 33.40 O ATOM 392 OE2 GLU A 23 4.335 -12.579 7.058 1.00 40.55 O ATOM 0 H GLU A 23 4.383 -7.786 8.496 1.00 72.41 H new ATOM 0 HA GLU A 23 2.222 -9.012 9.923 1.00 52.11 H new ATOM 0 HB2 GLU A 23 5.171 -9.776 9.649 1.00 21.01 H new ATOM 0 HB3 GLU A 23 3.896 -10.839 10.208 1.00 21.01 H new ATOM 0 HG2 GLU A 23 2.814 -10.815 8.010 1.00 2.30 H new ATOM 0 HG3 GLU A 23 3.904 -9.571 7.431 1.00 2.30 H new ATOM 399 N LYS A 24 4.530 -7.513 11.714 1.00 32.03 N ATOM 400 CA LYS A 24 4.857 -7.003 13.070 1.00 20.51 C ATOM 401 C LYS A 24 3.788 -6.002 13.559 1.00 0.13 C ATOM 402 O LYS A 24 3.473 -5.954 14.748 1.00 13.21 O ATOM 403 CB LYS A 24 6.261 -6.343 13.066 1.00 10.41 C ATOM 404 CG LYS A 24 7.420 -7.337 12.852 1.00 35.24 C ATOM 405 CD LYS A 24 8.796 -6.639 12.725 1.00 73.11 C ATOM 406 CE LYS A 24 9.950 -7.646 12.618 1.00 72.24 C ATOM 407 NZ LYS A 24 10.006 -8.574 13.782 1.00 50.03 N ATOM 0 H LYS A 24 5.109 -7.112 10.976 1.00 32.03 H new ATOM 0 HA LYS A 24 4.866 -7.846 13.761 1.00 20.51 H new ATOM 0 HB2 LYS A 24 6.294 -5.588 12.281 1.00 10.41 H new ATOM 0 HB3 LYS A 24 6.410 -5.825 14.013 1.00 10.41 H new ATOM 0 HG2 LYS A 24 7.449 -8.038 13.686 1.00 35.24 H new ATOM 0 HG3 LYS A 24 7.230 -7.921 11.951 1.00 35.24 H new ATOM 0 HD2 LYS A 24 8.795 -5.995 11.845 1.00 73.11 H new ATOM 0 HD3 LYS A 24 8.956 -5.996 13.590 1.00 73.11 H new ATOM 0 HE2 LYS A 24 9.839 -8.225 11.701 1.00 72.24 H new ATOM 0 HE3 LYS A 24 10.894 -7.106 12.542 1.00 72.24 H new ATOM 0 HZ1 LYS A 24 10.921 -9.069 13.788 1.00 50.03 H new ATOM 0 HZ2 LYS A 24 9.900 -8.032 14.663 1.00 50.03 H new ATOM 0 HZ3 LYS A 24 9.237 -9.270 13.709 1.00 50.03 H new ATOM 421 N ALA A 25 3.241 -5.215 12.615 1.00 63.12 N ATOM 422 CA ALA A 25 2.184 -4.216 12.882 1.00 23.11 C ATOM 423 C ALA A 25 0.778 -4.833 12.741 1.00 12.53 C ATOM 424 O ALA A 25 -0.223 -4.114 12.855 1.00 12.33 O ATOM 425 CB ALA A 25 2.365 -3.025 11.920 1.00 4.53 C ATOM 0 H ALA A 25 3.521 -5.253 11.635 1.00 63.12 H new ATOM 0 HA ALA A 25 2.275 -3.868 13.911 1.00 23.11 H new ATOM 0 HB1 ALA A 25 1.589 -2.283 12.110 1.00 4.53 H new ATOM 0 HB2 ALA A 25 3.345 -2.575 12.079 1.00 4.53 H new ATOM 0 HB3 ALA A 25 2.289 -3.374 10.890 1.00 4.53 H new ATOM 431 N ASN A 26 0.740 -6.167 12.461 1.00 53.32 N ATOM 432 CA ASN A 26 -0.496 -6.994 12.330 1.00 60.34 C ATOM 433 C ASN A 26 -1.310 -6.651 11.055 1.00 21.21 C ATOM 434 O ASN A 26 -2.387 -7.223 10.827 1.00 54.50 O ATOM 435 CB ASN A 26 -1.397 -6.903 13.602 1.00 53.23 C ATOM 436 CG ASN A 26 -0.728 -7.396 14.889 1.00 73.11 C ATOM 437 OD1 ASN A 26 0.117 -8.290 14.867 1.00 72.20 O ATOM 438 ND2 ASN A 26 -1.104 -6.815 16.024 1.00 62.02 N ATOM 0 H ASN A 26 1.591 -6.711 12.316 1.00 53.32 H new ATOM 0 HA ASN A 26 -0.157 -8.025 12.231 1.00 60.34 H new ATOM 0 HB2 ASN A 26 -1.704 -5.867 13.741 1.00 53.23 H new ATOM 0 HB3 ASN A 26 -2.303 -7.484 13.433 1.00 53.23 H new ATOM 0 HD21 ASN A 26 -0.689 -7.108 16.909 1.00 62.02 H new ATOM 0 HD22 ASN A 26 -1.807 -6.076 16.010 1.00 62.02 H new ATOM 445 N LEU A 27 -0.776 -5.749 10.221 1.00 23.44 N ATOM 446 CA LEU A 27 -1.433 -5.283 8.988 1.00 53.25 C ATOM 447 C LEU A 27 -1.328 -6.345 7.883 1.00 32.52 C ATOM 448 O LEU A 27 -0.298 -7.024 7.767 1.00 51.32 O ATOM 449 CB LEU A 27 -0.769 -3.960 8.519 1.00 74.13 C ATOM 450 CG LEU A 27 -0.707 -2.821 9.586 1.00 53.43 C ATOM 451 CD1 LEU A 27 0.074 -1.604 9.062 1.00 44.30 C ATOM 452 CD2 LEU A 27 -2.117 -2.421 10.077 1.00 53.22 C ATOM 0 H LEU A 27 0.133 -5.317 10.383 1.00 23.44 H new ATOM 0 HA LEU A 27 -2.489 -5.108 9.194 1.00 53.25 H new ATOM 0 HB2 LEU A 27 0.246 -4.181 8.190 1.00 74.13 H new ATOM 0 HB3 LEU A 27 -1.312 -3.590 7.650 1.00 74.13 H new ATOM 0 HG LEU A 27 -0.165 -3.212 10.447 1.00 53.43 H new ATOM 0 HD11 LEU A 27 0.098 -0.830 9.829 1.00 44.30 H new ATOM 0 HD12 LEU A 27 1.093 -1.904 8.816 1.00 44.30 H new ATOM 0 HD13 LEU A 27 -0.415 -1.215 8.169 1.00 44.30 H new ATOM 0 HD21 LEU A 27 -2.032 -1.626 10.818 1.00 53.22 H new ATOM 0 HD22 LEU A 27 -2.710 -2.068 9.233 1.00 53.22 H new ATOM 0 HD23 LEU A 27 -2.605 -3.286 10.527 1.00 53.22 H new ATOM 464 N GLU A 28 -2.392 -6.478 7.074 1.00 52.10 N ATOM 465 CA GLU A 28 -2.409 -7.402 5.928 1.00 21.13 C ATOM 466 C GLU A 28 -1.733 -6.728 4.727 1.00 53.54 C ATOM 467 O GLU A 28 -2.110 -5.620 4.358 1.00 13.11 O ATOM 468 CB GLU A 28 -3.867 -7.805 5.578 1.00 24.33 C ATOM 469 CG GLU A 28 -3.987 -8.765 4.370 1.00 54.24 C ATOM 470 CD GLU A 28 -5.436 -9.078 3.984 1.00 51.25 C ATOM 471 OE1 GLU A 28 -6.041 -9.990 4.592 1.00 13.21 O ATOM 472 OE2 GLU A 28 -5.973 -8.425 3.059 1.00 22.43 O ATOM 0 H GLU A 28 -3.258 -5.953 7.194 1.00 52.10 H new ATOM 0 HA GLU A 28 -1.862 -8.309 6.186 1.00 21.13 H new ATOM 0 HB2 GLU A 28 -4.321 -8.277 6.449 1.00 24.33 H new ATOM 0 HB3 GLU A 28 -4.441 -6.902 5.369 1.00 24.33 H new ATOM 0 HG2 GLU A 28 -3.477 -8.324 3.513 1.00 54.24 H new ATOM 0 HG3 GLU A 28 -3.471 -9.697 4.603 1.00 54.24 H new ATOM 479 N LEU A 29 -0.744 -7.400 4.122 1.00 71.04 N ATOM 480 CA LEU A 29 -0.011 -6.868 2.970 1.00 32.10 C ATOM 481 C LEU A 29 -0.334 -7.713 1.731 1.00 64.13 C ATOM 482 O LEU A 29 -0.350 -8.947 1.802 1.00 52.50 O ATOM 483 CB LEU A 29 1.512 -6.826 3.269 1.00 64.22 C ATOM 484 CG LEU A 29 2.433 -6.224 2.125 1.00 11.34 C ATOM 485 CD1 LEU A 29 3.505 -5.271 2.693 1.00 23.52 C ATOM 486 CD2 LEU A 29 3.101 -7.335 1.276 1.00 63.25 C ATOM 0 H LEU A 29 -0.432 -8.325 4.418 1.00 71.04 H new ATOM 0 HA LEU A 29 -0.323 -5.843 2.772 1.00 32.10 H new ATOM 0 HB2 LEU A 29 1.667 -6.243 4.177 1.00 64.22 H new ATOM 0 HB3 LEU A 29 1.848 -7.841 3.481 1.00 64.22 H new ATOM 0 HG LEU A 29 1.776 -5.648 1.474 1.00 11.34 H new ATOM 0 HD11 LEU A 29 4.114 -4.881 1.877 1.00 23.52 H new ATOM 0 HD12 LEU A 29 3.019 -4.444 3.211 1.00 23.52 H new ATOM 0 HD13 LEU A 29 4.140 -5.814 3.393 1.00 23.52 H new ATOM 0 HD21 LEU A 29 3.722 -6.880 0.505 1.00 63.25 H new ATOM 0 HD22 LEU A 29 3.720 -7.961 1.918 1.00 63.25 H new ATOM 0 HD23 LEU A 29 2.331 -7.947 0.807 1.00 63.25 H new ATOM 498 N ARG A 30 -0.619 -7.032 0.615 1.00 73.31 N ATOM 499 CA ARG A 30 -0.847 -7.649 -0.699 1.00 43.43 C ATOM 500 C ARG A 30 0.192 -7.069 -1.664 1.00 71.52 C ATOM 501 O ARG A 30 0.358 -5.842 -1.730 1.00 52.13 O ATOM 502 CB ARG A 30 -2.280 -7.343 -1.217 1.00 34.30 C ATOM 503 CG ARG A 30 -3.438 -7.800 -0.298 1.00 34.15 C ATOM 504 CD ARG A 30 -3.510 -9.326 -0.136 1.00 53.51 C ATOM 505 NE ARG A 30 -4.650 -9.727 0.701 1.00 43.54 N ATOM 506 CZ ARG A 30 -5.163 -10.966 0.787 1.00 44.33 C ATOM 507 NH1 ARG A 30 -4.652 -11.978 0.086 1.00 41.01 N ATOM 508 NH2 ARG A 30 -6.201 -11.177 1.587 1.00 44.23 N ATOM 0 H ARG A 30 -0.699 -6.015 0.599 1.00 73.31 H new ATOM 0 HA ARG A 30 -0.750 -8.732 -0.624 1.00 43.43 H new ATOM 0 HB2 ARG A 30 -2.368 -6.268 -1.374 1.00 34.30 H new ATOM 0 HB3 ARG A 30 -2.404 -7.818 -2.190 1.00 34.30 H new ATOM 0 HG2 ARG A 30 -3.318 -7.341 0.684 1.00 34.15 H new ATOM 0 HG3 ARG A 30 -4.382 -7.439 -0.706 1.00 34.15 H new ATOM 0 HD2 ARG A 30 -3.596 -9.793 -1.117 1.00 53.51 H new ATOM 0 HD3 ARG A 30 -2.584 -9.689 0.310 1.00 53.51 H new ATOM 0 HE ARG A 30 -5.090 -9.001 1.266 1.00 43.54 H new ATOM 0 HH11 ARG A 30 -3.855 -11.820 -0.531 1.00 41.01 H new ATOM 0 HH12 ARG A 30 -5.057 -12.910 0.167 1.00 41.01 H new ATOM 0 HH21 ARG A 30 -6.596 -10.405 2.124 1.00 44.23 H new ATOM 0 HH22 ARG A 30 -6.603 -12.111 1.665 1.00 44.23 H new ATOM 522 N THR A 31 0.879 -7.943 -2.398 1.00 72.54 N ATOM 523 CA THR A 31 1.945 -7.549 -3.322 1.00 13.12 C ATOM 524 C THR A 31 1.349 -7.210 -4.704 1.00 2.15 C ATOM 525 O THR A 31 0.827 -8.095 -5.401 1.00 42.33 O ATOM 526 CB THR A 31 3.006 -8.697 -3.426 1.00 24.45 C ATOM 527 OG1 THR A 31 2.377 -9.918 -3.855 1.00 15.52 O ATOM 528 CG2 THR A 31 3.691 -8.945 -2.069 1.00 43.11 C ATOM 0 H THR A 31 0.712 -8.949 -2.369 1.00 72.54 H new ATOM 0 HA THR A 31 2.444 -6.657 -2.944 1.00 13.12 H new ATOM 0 HB THR A 31 3.756 -8.387 -4.153 1.00 24.45 H new ATOM 0 HG1 THR A 31 1.677 -9.713 -4.510 1.00 15.52 H new ATOM 0 HG21 THR A 31 4.422 -9.747 -2.172 1.00 43.11 H new ATOM 0 HG22 THR A 31 4.194 -8.035 -1.744 1.00 43.11 H new ATOM 0 HG23 THR A 31 2.942 -9.229 -1.330 1.00 43.11 H new ATOM 536 N VAL A 32 1.429 -5.926 -5.090 1.00 51.33 N ATOM 537 CA VAL A 32 0.871 -5.413 -6.350 1.00 32.34 C ATOM 538 C VAL A 32 1.893 -5.588 -7.496 1.00 42.44 C ATOM 539 O VAL A 32 3.083 -5.296 -7.324 1.00 32.22 O ATOM 540 CB VAL A 32 0.485 -3.897 -6.212 1.00 25.25 C ATOM 541 CG1 VAL A 32 -0.265 -3.384 -7.458 1.00 65.22 C ATOM 542 CG2 VAL A 32 -0.324 -3.643 -4.920 1.00 0.53 C ATOM 0 H VAL A 32 1.888 -5.208 -4.529 1.00 51.33 H new ATOM 0 HA VAL A 32 -0.029 -5.983 -6.580 1.00 32.34 H new ATOM 0 HB VAL A 32 1.412 -3.329 -6.139 1.00 25.25 H new ATOM 0 HG11 VAL A 32 -0.515 -2.331 -7.325 1.00 65.22 H new ATOM 0 HG12 VAL A 32 0.369 -3.498 -8.337 1.00 65.22 H new ATOM 0 HG13 VAL A 32 -1.180 -3.960 -7.594 1.00 65.22 H new ATOM 0 HG21 VAL A 32 -0.577 -2.585 -4.851 1.00 0.53 H new ATOM 0 HG22 VAL A 32 -1.239 -4.234 -4.942 1.00 0.53 H new ATOM 0 HG23 VAL A 32 0.273 -3.930 -4.054 1.00 0.53 H new ATOM 552 N LYS A 33 1.410 -6.080 -8.649 1.00 71.44 N ATOM 553 CA LYS A 33 2.228 -6.283 -9.865 1.00 21.33 C ATOM 554 C LYS A 33 2.006 -5.105 -10.832 1.00 15.35 C ATOM 555 O LYS A 33 2.949 -4.421 -11.231 1.00 14.20 O ATOM 556 CB LYS A 33 1.829 -7.617 -10.557 1.00 12.54 C ATOM 557 CG LYS A 33 1.845 -8.856 -9.634 1.00 4.32 C ATOM 558 CD LYS A 33 1.299 -10.117 -10.345 1.00 40.25 C ATOM 559 CE LYS A 33 1.237 -11.344 -9.416 1.00 34.31 C ATOM 560 NZ LYS A 33 0.695 -12.542 -10.119 1.00 71.01 N ATOM 0 H LYS A 33 0.434 -6.351 -8.768 1.00 71.44 H new ATOM 0 HA LYS A 33 3.281 -6.332 -9.588 1.00 21.33 H new ATOM 0 HB2 LYS A 33 0.829 -7.507 -10.977 1.00 12.54 H new ATOM 0 HB3 LYS A 33 2.508 -7.794 -11.391 1.00 12.54 H new ATOM 0 HG2 LYS A 33 2.864 -9.043 -9.296 1.00 4.32 H new ATOM 0 HG3 LYS A 33 1.247 -8.654 -8.745 1.00 4.32 H new ATOM 0 HD2 LYS A 33 0.301 -9.908 -10.731 1.00 40.25 H new ATOM 0 HD3 LYS A 33 1.931 -10.348 -11.203 1.00 40.25 H new ATOM 0 HE2 LYS A 33 2.235 -11.565 -9.038 1.00 34.31 H new ATOM 0 HE3 LYS A 33 0.612 -11.115 -8.553 1.00 34.31 H new ATOM 0 HZ1 LYS A 33 0.668 -13.348 -9.462 1.00 71.01 H new ATOM 0 HZ2 LYS A 33 -0.267 -12.340 -10.458 1.00 71.01 H new ATOM 0 HZ3 LYS A 33 1.305 -12.775 -10.928 1.00 71.01 H new ATOM 574 N THR A 34 0.723 -4.899 -11.188 1.00 21.13 N ATOM 575 CA THR A 34 0.272 -3.879 -12.151 1.00 73.03 C ATOM 576 C THR A 34 -0.804 -2.986 -11.514 1.00 23.21 C ATOM 577 O THR A 34 -1.268 -3.252 -10.397 1.00 75.23 O ATOM 578 CB THR A 34 -0.335 -4.564 -13.420 1.00 41.54 C ATOM 579 OG1 THR A 34 -1.434 -5.403 -13.025 1.00 42.34 O ATOM 580 CG2 THR A 34 0.701 -5.403 -14.188 1.00 65.41 C ATOM 0 H THR A 34 -0.045 -5.450 -10.805 1.00 21.13 H new ATOM 0 HA THR A 34 1.134 -3.274 -12.434 1.00 73.03 H new ATOM 0 HB THR A 34 -0.674 -3.774 -14.090 1.00 41.54 H new ATOM 0 HG1 THR A 34 -1.612 -6.062 -13.728 1.00 42.34 H new ATOM 0 HG21 THR A 34 0.228 -5.856 -15.059 1.00 65.41 H new ATOM 0 HG22 THR A 34 1.520 -4.762 -14.512 1.00 65.41 H new ATOM 0 HG23 THR A 34 1.089 -6.186 -13.537 1.00 65.41 H new ATOM 588 N GLU A 35 -1.224 -1.944 -12.257 1.00 41.42 N ATOM 589 CA GLU A 35 -2.334 -1.051 -11.844 1.00 23.52 C ATOM 590 C GLU A 35 -3.671 -1.832 -11.772 1.00 72.01 C ATOM 591 O GLU A 35 -4.568 -1.452 -11.027 1.00 63.40 O ATOM 592 CB GLU A 35 -2.476 0.186 -12.790 1.00 3.44 C ATOM 593 CG GLU A 35 -3.079 -0.081 -14.191 1.00 1.50 C ATOM 594 CD GLU A 35 -2.202 -0.960 -15.107 1.00 64.22 C ATOM 595 OE1 GLU A 35 -1.350 -0.407 -15.836 1.00 50.54 O ATOM 596 OE2 GLU A 35 -2.362 -2.203 -15.102 1.00 40.42 O ATOM 0 H GLU A 35 -0.809 -1.695 -13.155 1.00 41.42 H new ATOM 0 HA GLU A 35 -2.090 -0.677 -10.850 1.00 23.52 H new ATOM 0 HB2 GLU A 35 -3.095 0.930 -12.288 1.00 3.44 H new ATOM 0 HB3 GLU A 35 -1.489 0.629 -12.922 1.00 3.44 H new ATOM 0 HG2 GLU A 35 -4.050 -0.561 -14.069 1.00 1.50 H new ATOM 0 HG3 GLU A 35 -3.255 0.874 -14.685 1.00 1.50 H new ATOM 603 N ASP A 36 -3.766 -2.923 -12.571 1.00 62.11 N ATOM 604 CA ASP A 36 -4.903 -3.866 -12.574 1.00 41.44 C ATOM 605 C ASP A 36 -5.003 -4.599 -11.229 1.00 71.34 C ATOM 606 O ASP A 36 -6.104 -4.802 -10.700 1.00 40.14 O ATOM 607 CB ASP A 36 -4.727 -4.877 -13.734 1.00 63.02 C ATOM 608 CG ASP A 36 -5.846 -5.933 -13.802 1.00 72.11 C ATOM 609 OD1 ASP A 36 -6.897 -5.656 -14.413 1.00 74.12 O ATOM 610 OD2 ASP A 36 -5.691 -7.033 -13.222 1.00 2.42 O ATOM 0 H ASP A 36 -3.040 -3.173 -13.242 1.00 62.11 H new ATOM 0 HA ASP A 36 -5.829 -3.309 -12.720 1.00 41.44 H new ATOM 0 HB2 ASP A 36 -4.694 -4.333 -14.678 1.00 63.02 H new ATOM 0 HB3 ASP A 36 -3.768 -5.382 -13.623 1.00 63.02 H new ATOM 615 N GLU A 37 -3.837 -4.991 -10.687 1.00 42.52 N ATOM 616 CA GLU A 37 -3.753 -5.628 -9.366 1.00 41.35 C ATOM 617 C GLU A 37 -4.167 -4.635 -8.271 1.00 61.45 C ATOM 618 O GLU A 37 -4.923 -4.982 -7.365 1.00 2.24 O ATOM 619 CB GLU A 37 -2.329 -6.154 -9.089 1.00 45.23 C ATOM 620 CG GLU A 37 -1.808 -7.183 -10.108 1.00 41.11 C ATOM 621 CD GLU A 37 -2.643 -8.470 -10.201 1.00 10.40 C ATOM 622 OE1 GLU A 37 -2.899 -9.096 -9.151 1.00 1.30 O ATOM 623 OE2 GLU A 37 -3.023 -8.878 -11.324 1.00 31.31 O ATOM 0 H GLU A 37 -2.935 -4.876 -11.149 1.00 42.52 H new ATOM 0 HA GLU A 37 -4.437 -6.477 -9.359 1.00 41.35 H new ATOM 0 HB2 GLU A 37 -1.643 -5.307 -9.066 1.00 45.23 H new ATOM 0 HB3 GLU A 37 -2.311 -6.606 -8.097 1.00 45.23 H new ATOM 0 HG2 GLU A 37 -1.774 -6.715 -11.092 1.00 41.11 H new ATOM 0 HG3 GLU A 37 -0.784 -7.448 -9.846 1.00 41.11 H new ATOM 630 N LEU A 38 -3.689 -3.386 -8.402 1.00 61.42 N ATOM 631 CA LEU A 38 -3.983 -2.295 -7.454 1.00 64.12 C ATOM 632 C LEU A 38 -5.507 -2.028 -7.436 1.00 21.42 C ATOM 633 O LEU A 38 -6.114 -1.878 -6.360 1.00 1.13 O ATOM 634 CB LEU A 38 -3.152 -1.030 -7.858 1.00 43.25 C ATOM 635 CG LEU A 38 -2.963 0.100 -6.776 1.00 10.25 C ATOM 636 CD1 LEU A 38 -4.194 1.017 -6.634 1.00 35.44 C ATOM 637 CD2 LEU A 38 -2.554 -0.499 -5.401 1.00 52.05 C ATOM 0 H LEU A 38 -3.084 -3.102 -9.173 1.00 61.42 H new ATOM 0 HA LEU A 38 -3.692 -2.569 -6.440 1.00 64.12 H new ATOM 0 HB2 LEU A 38 -2.162 -1.365 -8.170 1.00 43.25 H new ATOM 0 HB3 LEU A 38 -3.627 -0.582 -8.731 1.00 43.25 H new ATOM 0 HG LEU A 38 -2.150 0.730 -7.136 1.00 10.25 H new ATOM 0 HD11 LEU A 38 -3.999 1.773 -5.873 1.00 35.44 H new ATOM 0 HD12 LEU A 38 -4.396 1.505 -7.587 1.00 35.44 H new ATOM 0 HD13 LEU A 38 -5.059 0.422 -6.341 1.00 35.44 H new ATOM 0 HD21 LEU A 38 -2.431 0.305 -4.676 1.00 52.05 H new ATOM 0 HD22 LEU A 38 -3.330 -1.183 -5.057 1.00 52.05 H new ATOM 0 HD23 LEU A 38 -1.614 -1.040 -5.505 1.00 52.05 H new ATOM 649 N LYS A 39 -6.103 -2.042 -8.648 1.00 40.11 N ATOM 650 CA LYS A 39 -7.556 -1.923 -8.842 1.00 61.24 C ATOM 651 C LYS A 39 -8.309 -3.026 -8.094 1.00 12.23 C ATOM 652 O LYS A 39 -9.117 -2.718 -7.231 1.00 73.31 O ATOM 653 CB LYS A 39 -7.943 -1.979 -10.347 1.00 24.51 C ATOM 654 CG LYS A 39 -7.676 -0.693 -11.151 1.00 32.11 C ATOM 655 CD LYS A 39 -8.015 -0.833 -12.669 1.00 52.11 C ATOM 656 CE LYS A 39 -9.518 -1.089 -12.977 1.00 14.25 C ATOM 657 NZ LYS A 39 -9.984 -2.470 -12.628 1.00 64.52 N ATOM 0 H LYS A 39 -5.583 -2.137 -9.520 1.00 40.11 H new ATOM 0 HA LYS A 39 -7.843 -0.952 -8.439 1.00 61.24 H new ATOM 0 HB2 LYS A 39 -7.396 -2.798 -10.814 1.00 24.51 H new ATOM 0 HB3 LYS A 39 -9.003 -2.220 -10.422 1.00 24.51 H new ATOM 0 HG2 LYS A 39 -8.265 0.121 -10.728 1.00 32.11 H new ATOM 0 HG3 LYS A 39 -6.627 -0.417 -11.044 1.00 32.11 H new ATOM 0 HD2 LYS A 39 -7.702 0.076 -13.183 1.00 52.11 H new ATOM 0 HD3 LYS A 39 -7.428 -1.652 -13.085 1.00 52.11 H new ATOM 0 HE2 LYS A 39 -10.119 -0.364 -12.429 1.00 14.25 H new ATOM 0 HE3 LYS A 39 -9.696 -0.914 -14.038 1.00 14.25 H new ATOM 0 HZ1 LYS A 39 -10.617 -2.822 -13.375 1.00 64.52 H new ATOM 0 HZ2 LYS A 39 -9.163 -3.102 -12.543 1.00 64.52 H new ATOM 0 HZ3 LYS A 39 -10.496 -2.445 -11.723 1.00 64.52 H new ATOM 671 N LYS A 40 -7.992 -4.304 -8.410 1.00 24.53 N ATOM 672 CA LYS A 40 -8.774 -5.462 -7.933 1.00 71.25 C ATOM 673 C LYS A 40 -8.749 -5.575 -6.400 1.00 62.12 C ATOM 674 O LYS A 40 -9.739 -5.996 -5.796 1.00 50.13 O ATOM 675 CB LYS A 40 -8.281 -6.784 -8.580 1.00 40.21 C ATOM 676 CG LYS A 40 -6.903 -7.296 -8.092 1.00 51.25 C ATOM 677 CD LYS A 40 -6.446 -8.606 -8.774 1.00 22.52 C ATOM 678 CE LYS A 40 -6.353 -8.491 -10.305 1.00 2.55 C ATOM 679 NZ LYS A 40 -5.733 -9.699 -10.918 1.00 2.34 N ATOM 0 H LYS A 40 -7.196 -4.556 -8.996 1.00 24.53 H new ATOM 0 HA LYS A 40 -9.806 -5.294 -8.240 1.00 71.25 H new ATOM 0 HB2 LYS A 40 -9.024 -7.559 -8.391 1.00 40.21 H new ATOM 0 HB3 LYS A 40 -8.234 -6.644 -9.660 1.00 40.21 H new ATOM 0 HG2 LYS A 40 -6.155 -6.524 -8.271 1.00 51.25 H new ATOM 0 HG3 LYS A 40 -6.946 -7.454 -7.014 1.00 51.25 H new ATOM 0 HD2 LYS A 40 -5.472 -8.894 -8.378 1.00 22.52 H new ATOM 0 HD3 LYS A 40 -7.143 -9.404 -8.518 1.00 22.52 H new ATOM 0 HE2 LYS A 40 -7.351 -8.346 -10.719 1.00 2.55 H new ATOM 0 HE3 LYS A 40 -5.767 -7.610 -10.568 1.00 2.55 H new ATOM 0 HZ1 LYS A 40 -6.266 -9.969 -11.769 1.00 2.34 H new ATOM 0 HZ2 LYS A 40 -4.748 -9.490 -11.178 1.00 2.34 H new ATOM 0 HZ3 LYS A 40 -5.751 -10.483 -10.235 1.00 2.34 H new ATOM 693 N TYR A 41 -7.612 -5.174 -5.785 1.00 33.11 N ATOM 694 CA TYR A 41 -7.476 -5.122 -4.322 1.00 63.23 C ATOM 695 C TYR A 41 -8.444 -4.080 -3.747 1.00 65.44 C ATOM 696 O TYR A 41 -9.219 -4.390 -2.839 1.00 21.33 O ATOM 697 CB TYR A 41 -6.023 -4.798 -3.889 1.00 32.34 C ATOM 698 CG TYR A 41 -4.963 -5.842 -4.297 1.00 42.21 C ATOM 699 CD1 TYR A 41 -5.250 -7.213 -4.330 1.00 44.43 C ATOM 700 CD2 TYR A 41 -3.663 -5.451 -4.639 1.00 45.23 C ATOM 701 CE1 TYR A 41 -4.288 -8.135 -4.691 1.00 24.41 C ATOM 702 CE2 TYR A 41 -2.709 -6.375 -5.001 1.00 51.04 C ATOM 703 CZ TYR A 41 -3.024 -7.709 -5.025 1.00 35.24 C ATOM 704 OH TYR A 41 -2.067 -8.622 -5.377 1.00 62.53 O ATOM 0 H TYR A 41 -6.775 -4.881 -6.289 1.00 33.11 H new ATOM 0 HA TYR A 41 -7.723 -6.108 -3.928 1.00 63.23 H new ATOM 0 HB2 TYR A 41 -5.742 -3.834 -4.314 1.00 32.34 H new ATOM 0 HB3 TYR A 41 -6.001 -4.687 -2.805 1.00 32.34 H new ATOM 0 HD1 TYR A 41 -6.241 -7.554 -4.069 1.00 44.43 H new ATOM 0 HD2 TYR A 41 -3.403 -4.403 -4.618 1.00 45.23 H new ATOM 0 HE1 TYR A 41 -4.528 -9.188 -4.711 1.00 24.41 H new ATOM 0 HE2 TYR A 41 -1.714 -6.049 -5.266 1.00 51.04 H new ATOM 0 HH TYR A 41 -1.183 -8.201 -5.337 1.00 62.53 H new ATOM 714 N LEU A 42 -8.405 -2.853 -4.319 1.00 73.10 N ATOM 715 CA LEU A 42 -9.293 -1.747 -3.908 1.00 61.41 C ATOM 716 C LEU A 42 -10.786 -2.085 -4.138 1.00 53.44 C ATOM 717 O LEU A 42 -11.623 -1.723 -3.321 1.00 71.21 O ATOM 718 CB LEU A 42 -8.937 -0.432 -4.643 1.00 70.14 C ATOM 719 CG LEU A 42 -7.559 0.224 -4.305 1.00 34.03 C ATOM 720 CD1 LEU A 42 -7.349 1.503 -5.149 1.00 24.11 C ATOM 721 CD2 LEU A 42 -7.423 0.522 -2.788 1.00 72.31 C ATOM 0 H LEU A 42 -7.762 -2.606 -5.071 1.00 73.10 H new ATOM 0 HA LEU A 42 -9.135 -1.607 -2.839 1.00 61.41 H new ATOM 0 HB2 LEU A 42 -8.965 -0.626 -5.715 1.00 70.14 H new ATOM 0 HB3 LEU A 42 -9.719 0.297 -4.430 1.00 70.14 H new ATOM 0 HG LEU A 42 -6.776 -0.489 -4.562 1.00 34.03 H new ATOM 0 HD11 LEU A 42 -6.385 1.948 -4.902 1.00 24.11 H new ATOM 0 HD12 LEU A 42 -7.370 1.247 -6.208 1.00 24.11 H new ATOM 0 HD13 LEU A 42 -8.144 2.216 -4.932 1.00 24.11 H new ATOM 0 HD21 LEU A 42 -6.452 0.977 -2.592 1.00 72.31 H new ATOM 0 HD22 LEU A 42 -8.214 1.206 -2.479 1.00 72.31 H new ATOM 0 HD23 LEU A 42 -7.508 -0.408 -2.226 1.00 72.31 H new ATOM 733 N GLU A 43 -11.097 -2.777 -5.251 1.00 64.44 N ATOM 734 CA GLU A 43 -12.470 -3.216 -5.595 1.00 52.40 C ATOM 735 C GLU A 43 -13.010 -4.214 -4.554 1.00 51.40 C ATOM 736 O GLU A 43 -14.184 -4.135 -4.163 1.00 54.32 O ATOM 737 CB GLU A 43 -12.511 -3.803 -7.041 1.00 74.23 C ATOM 738 CG GLU A 43 -12.231 -2.752 -8.140 1.00 4.35 C ATOM 739 CD GLU A 43 -12.202 -3.320 -9.575 1.00 70.42 C ATOM 740 OE1 GLU A 43 -13.286 -3.540 -10.161 1.00 34.14 O ATOM 741 OE2 GLU A 43 -11.094 -3.541 -10.122 1.00 64.15 O ATOM 0 H GLU A 43 -10.400 -3.051 -5.944 1.00 64.44 H new ATOM 0 HA GLU A 43 -13.127 -2.346 -5.573 1.00 52.40 H new ATOM 0 HB2 GLU A 43 -11.777 -4.605 -7.120 1.00 74.23 H new ATOM 0 HB3 GLU A 43 -13.490 -4.249 -7.216 1.00 74.23 H new ATOM 0 HG2 GLU A 43 -12.994 -1.975 -8.085 1.00 4.35 H new ATOM 0 HG3 GLU A 43 -11.274 -2.274 -7.932 1.00 4.35 H new ATOM 748 N GLU A 44 -12.131 -5.112 -4.074 1.00 15.11 N ATOM 749 CA GLU A 44 -12.443 -5.982 -2.924 1.00 40.43 C ATOM 750 C GLU A 44 -12.670 -5.135 -1.659 1.00 41.52 C ATOM 751 O GLU A 44 -13.590 -5.390 -0.886 1.00 44.12 O ATOM 752 CB GLU A 44 -11.315 -7.019 -2.677 1.00 51.05 C ATOM 753 CG GLU A 44 -11.153 -8.073 -3.786 1.00 3.31 C ATOM 754 CD GLU A 44 -12.407 -8.937 -4.010 1.00 25.44 C ATOM 755 OE1 GLU A 44 -12.866 -9.587 -3.051 1.00 41.34 O ATOM 756 OE2 GLU A 44 -12.943 -8.965 -5.140 1.00 3.13 O ATOM 0 H GLU A 44 -11.199 -5.255 -4.464 1.00 15.11 H new ATOM 0 HA GLU A 44 -13.357 -6.528 -3.157 1.00 40.43 H new ATOM 0 HB2 GLU A 44 -10.371 -6.487 -2.560 1.00 51.05 H new ATOM 0 HB3 GLU A 44 -11.511 -7.531 -1.735 1.00 51.05 H new ATOM 0 HG2 GLU A 44 -10.899 -7.569 -4.719 1.00 3.31 H new ATOM 0 HG3 GLU A 44 -10.315 -8.724 -3.536 1.00 3.31 H new ATOM 763 N PHE A 45 -11.842 -4.099 -1.486 1.00 44.33 N ATOM 764 CA PHE A 45 -11.914 -3.189 -0.326 1.00 5.22 C ATOM 765 C PHE A 45 -13.134 -2.245 -0.392 1.00 13.30 C ATOM 766 O PHE A 45 -13.511 -1.672 0.634 1.00 43.23 O ATOM 767 CB PHE A 45 -10.592 -2.381 -0.199 1.00 3.22 C ATOM 768 CG PHE A 45 -9.333 -3.234 0.044 1.00 70.42 C ATOM 769 CD1 PHE A 45 -9.404 -4.504 0.639 1.00 64.32 C ATOM 770 CD2 PHE A 45 -8.076 -2.770 -0.343 1.00 25.32 C ATOM 771 CE1 PHE A 45 -8.264 -5.265 0.836 1.00 1.32 C ATOM 772 CE2 PHE A 45 -6.942 -3.535 -0.144 1.00 32.33 C ATOM 773 CZ PHE A 45 -7.035 -4.782 0.442 1.00 31.22 C ATOM 0 H PHE A 45 -11.100 -3.863 -2.145 1.00 44.33 H new ATOM 0 HA PHE A 45 -12.044 -3.803 0.565 1.00 5.22 H new ATOM 0 HB2 PHE A 45 -10.449 -1.800 -1.110 1.00 3.22 H new ATOM 0 HB3 PHE A 45 -10.695 -1.669 0.620 1.00 3.22 H new ATOM 0 HD1 PHE A 45 -10.363 -4.893 0.948 1.00 64.32 H new ATOM 0 HD2 PHE A 45 -7.987 -1.798 -0.805 1.00 25.32 H new ATOM 0 HE1 PHE A 45 -8.338 -6.238 1.299 1.00 1.32 H new ATOM 0 HE2 PHE A 45 -5.978 -3.155 -0.449 1.00 32.33 H new ATOM 0 HZ PHE A 45 -6.146 -5.377 0.591 1.00 31.22 H new ATOM 783 N ARG A 46 -13.736 -2.080 -1.597 1.00 15.52 N ATOM 784 CA ARG A 46 -14.976 -1.287 -1.773 1.00 23.11 C ATOM 785 C ARG A 46 -16.154 -1.976 -1.072 1.00 2.32 C ATOM 786 O ARG A 46 -16.942 -1.308 -0.386 1.00 44.33 O ATOM 787 CB ARG A 46 -15.326 -1.052 -3.267 1.00 24.23 C ATOM 788 CG ARG A 46 -14.332 -0.156 -4.033 1.00 45.02 C ATOM 789 CD ARG A 46 -14.802 0.169 -5.463 1.00 55.21 C ATOM 790 NE ARG A 46 -16.026 0.997 -5.479 1.00 64.31 N ATOM 791 CZ ARG A 46 -16.798 1.236 -6.559 1.00 24.11 C ATOM 792 NH1 ARG A 46 -16.515 0.713 -7.747 1.00 62.24 N ATOM 793 NH2 ARG A 46 -17.860 2.018 -6.427 1.00 33.34 N ATOM 0 H ARG A 46 -13.380 -2.487 -2.462 1.00 15.52 H new ATOM 0 HA ARG A 46 -14.793 -0.313 -1.320 1.00 23.11 H new ATOM 0 HB2 ARG A 46 -15.383 -2.018 -3.768 1.00 24.23 H new ATOM 0 HB3 ARG A 46 -16.318 -0.603 -3.327 1.00 24.23 H new ATOM 0 HG2 ARG A 46 -14.189 0.774 -3.482 1.00 45.02 H new ATOM 0 HG3 ARG A 46 -13.363 -0.652 -4.078 1.00 45.02 H new ATOM 0 HD2 ARG A 46 -14.006 0.691 -5.994 1.00 55.21 H new ATOM 0 HD3 ARG A 46 -14.988 -0.760 -6.001 1.00 55.21 H new ATOM 0 HE ARG A 46 -16.311 1.424 -4.598 1.00 64.31 H new ATOM 0 HH11 ARG A 46 -15.697 0.114 -7.859 1.00 62.24 H new ATOM 0 HH12 ARG A 46 -17.116 0.910 -8.547 1.00 62.24 H new ATOM 0 HH21 ARG A 46 -18.082 2.428 -5.520 1.00 33.34 H new ATOM 0 HH22 ARG A 46 -18.455 2.210 -7.233 1.00 33.34 H new ATOM 807 N LYS A 47 -16.212 -3.327 -1.205 1.00 61.14 N ATOM 808 CA LYS A 47 -17.276 -4.178 -0.599 1.00 72.11 C ATOM 809 C LYS A 47 -17.382 -3.917 0.912 1.00 52.10 C ATOM 810 O LYS A 47 -18.452 -4.011 1.510 1.00 52.24 O ATOM 811 CB LYS A 47 -16.977 -5.700 -0.788 1.00 43.31 C ATOM 812 CG LYS A 47 -16.507 -6.146 -2.189 1.00 60.21 C ATOM 813 CD LYS A 47 -16.484 -7.695 -2.346 1.00 1.21 C ATOM 814 CE LYS A 47 -15.818 -8.451 -1.164 1.00 64.12 C ATOM 815 NZ LYS A 47 -14.390 -8.098 -0.958 1.00 54.00 N ATOM 0 H LYS A 47 -15.523 -3.859 -1.736 1.00 61.14 H new ATOM 0 HA LYS A 47 -18.205 -3.918 -1.106 1.00 72.11 H new ATOM 0 HB2 LYS A 47 -16.214 -5.989 -0.065 1.00 43.31 H new ATOM 0 HB3 LYS A 47 -17.880 -6.258 -0.539 1.00 43.31 H new ATOM 0 HG2 LYS A 47 -17.167 -5.718 -2.943 1.00 60.21 H new ATOM 0 HG3 LYS A 47 -15.509 -5.750 -2.377 1.00 60.21 H new ATOM 0 HD2 LYS A 47 -17.508 -8.052 -2.458 1.00 1.21 H new ATOM 0 HD3 LYS A 47 -15.956 -7.947 -3.266 1.00 1.21 H new ATOM 0 HE2 LYS A 47 -16.371 -8.237 -0.250 1.00 64.12 H new ATOM 0 HE3 LYS A 47 -15.896 -9.524 -1.340 1.00 64.12 H new ATOM 0 HZ1 LYS A 47 -14.105 -8.355 0.008 1.00 54.00 H new ATOM 0 HZ2 LYS A 47 -13.802 -8.616 -1.642 1.00 54.00 H new ATOM 0 HZ3 LYS A 47 -14.262 -7.075 -1.096 1.00 54.00 H new ATOM 829 N GLU A 48 -16.229 -3.584 1.491 1.00 63.21 N ATOM 830 CA GLU A 48 -16.016 -3.489 2.929 1.00 63.21 C ATOM 831 C GLU A 48 -15.385 -2.141 3.279 1.00 63.54 C ATOM 832 O GLU A 48 -14.530 -2.053 4.164 1.00 40.01 O ATOM 833 CB GLU A 48 -15.115 -4.687 3.328 1.00 73.42 C ATOM 834 CG GLU A 48 -13.784 -4.756 2.537 1.00 13.25 C ATOM 835 CD GLU A 48 -13.183 -6.156 2.492 1.00 11.10 C ATOM 836 OE1 GLU A 48 -13.662 -6.983 1.677 1.00 32.22 O ATOM 837 OE2 GLU A 48 -12.244 -6.445 3.261 1.00 3.01 O ATOM 0 H GLU A 48 -15.391 -3.366 0.951 1.00 63.21 H new ATOM 0 HA GLU A 48 -16.953 -3.538 3.483 1.00 63.21 H new ATOM 0 HB2 GLU A 48 -14.892 -4.623 4.393 1.00 73.42 H new ATOM 0 HB3 GLU A 48 -15.668 -5.613 3.173 1.00 73.42 H new ATOM 0 HG2 GLU A 48 -13.956 -4.409 1.518 1.00 13.25 H new ATOM 0 HG3 GLU A 48 -13.065 -4.073 2.989 1.00 13.25 H new ATOM 844 N SER A 49 -15.852 -1.061 2.610 1.00 22.33 N ATOM 845 CA SER A 49 -15.438 0.315 2.961 1.00 72.24 C ATOM 846 C SER A 49 -16.192 0.848 4.220 1.00 11.41 C ATOM 847 O SER A 49 -16.627 2.002 4.267 1.00 42.11 O ATOM 848 CB SER A 49 -15.607 1.260 1.747 1.00 0.11 C ATOM 849 OG SER A 49 -14.739 0.882 0.693 1.00 62.13 O ATOM 0 H SER A 49 -16.509 -1.116 1.832 1.00 22.33 H new ATOM 0 HA SER A 49 -14.380 0.289 3.222 1.00 72.24 H new ATOM 0 HB2 SER A 49 -16.640 1.234 1.401 1.00 0.11 H new ATOM 0 HB3 SER A 49 -15.397 2.287 2.047 1.00 0.11 H new ATOM 0 HG SER A 49 -14.389 -0.017 0.864 1.00 62.13 H new ATOM 855 N GLN A 50 -16.275 -0.003 5.263 1.00 30.52 N ATOM 856 CA GLN A 50 -16.920 0.305 6.546 1.00 70.54 C ATOM 857 C GLN A 50 -15.826 0.481 7.613 1.00 2.00 C ATOM 858 O GLN A 50 -15.402 -0.492 8.254 1.00 44.13 O ATOM 859 CB GLN A 50 -17.944 -0.816 6.906 1.00 61.13 C ATOM 860 CG GLN A 50 -17.407 -2.265 6.783 1.00 12.41 C ATOM 861 CD GLN A 50 -18.452 -3.324 7.136 1.00 15.44 C ATOM 862 OE1 GLN A 50 -19.194 -3.805 6.280 1.00 42.45 O ATOM 863 NE2 GLN A 50 -18.535 -3.671 8.405 1.00 33.43 N ATOM 0 H GLN A 50 -15.885 -0.945 5.231 1.00 30.52 H new ATOM 0 HA GLN A 50 -17.485 1.235 6.488 1.00 70.54 H new ATOM 0 HB2 GLN A 50 -18.287 -0.658 7.929 1.00 61.13 H new ATOM 0 HB3 GLN A 50 -18.815 -0.712 6.259 1.00 61.13 H new ATOM 0 HG2 GLN A 50 -17.059 -2.432 5.764 1.00 12.41 H new ATOM 0 HG3 GLN A 50 -16.543 -2.383 7.438 1.00 12.41 H new ATOM 0 HE21 GLN A 50 -17.905 -3.254 9.090 1.00 33.43 H new ATOM 0 HE22 GLN A 50 -19.229 -4.357 8.702 1.00 33.43 H new ATOM 872 N ASN A 51 -15.345 1.735 7.751 1.00 65.20 N ATOM 873 CA ASN A 51 -14.151 2.075 8.557 1.00 4.25 C ATOM 874 C ASN A 51 -12.924 1.331 8.008 1.00 11.22 C ATOM 875 O ASN A 51 -12.512 0.287 8.533 1.00 22.15 O ATOM 876 CB ASN A 51 -14.355 1.802 10.083 1.00 51.21 C ATOM 877 CG ASN A 51 -15.295 2.805 10.756 1.00 65.21 C ATOM 878 OD1 ASN A 51 -15.390 3.963 10.349 1.00 41.44 O ATOM 879 ND2 ASN A 51 -15.988 2.374 11.790 1.00 63.54 N ATOM 0 H ASN A 51 -15.776 2.545 7.304 1.00 65.20 H new ATOM 0 HA ASN A 51 -13.984 3.148 8.468 1.00 4.25 H new ATOM 0 HB2 ASN A 51 -14.753 0.796 10.215 1.00 51.21 H new ATOM 0 HB3 ASN A 51 -13.387 1.830 10.583 1.00 51.21 H new ATOM 0 HD21 ASN A 51 -16.624 3.005 12.276 1.00 63.54 H new ATOM 0 HD22 ASN A 51 -15.888 1.409 12.104 1.00 63.54 H new ATOM 886 N ILE A 52 -12.391 1.845 6.899 1.00 41.02 N ATOM 887 CA ILE A 52 -11.259 1.232 6.204 1.00 45.14 C ATOM 888 C ILE A 52 -10.191 2.280 5.861 1.00 73.32 C ATOM 889 O ILE A 52 -10.501 3.464 5.647 1.00 44.23 O ATOM 890 CB ILE A 52 -11.751 0.504 4.902 1.00 33.33 C ATOM 891 CG1 ILE A 52 -10.636 -0.402 4.292 1.00 14.53 C ATOM 892 CG2 ILE A 52 -12.269 1.527 3.856 1.00 31.54 C ATOM 893 CD1 ILE A 52 -11.104 -1.279 3.153 1.00 4.14 C ATOM 0 H ILE A 52 -12.732 2.699 6.457 1.00 41.02 H new ATOM 0 HA ILE A 52 -10.808 0.496 6.870 1.00 45.14 H new ATOM 0 HB ILE A 52 -12.581 -0.144 5.184 1.00 33.33 H new ATOM 0 HG12 ILE A 52 -9.823 0.231 3.938 1.00 14.53 H new ATOM 0 HG13 ILE A 52 -10.227 -1.035 5.079 1.00 14.53 H new ATOM 0 HG21 ILE A 52 -12.604 0.997 2.964 1.00 31.54 H new ATOM 0 HG22 ILE A 52 -13.102 2.089 4.278 1.00 31.54 H new ATOM 0 HG23 ILE A 52 -11.466 2.214 3.590 1.00 31.54 H new ATOM 0 HD11 ILE A 52 -10.269 -1.876 2.787 1.00 4.14 H new ATOM 0 HD12 ILE A 52 -11.896 -1.940 3.505 1.00 4.14 H new ATOM 0 HD13 ILE A 52 -11.485 -0.654 2.345 1.00 4.14 H new ATOM 905 N LYS A 53 -8.937 1.825 5.843 1.00 22.32 N ATOM 906 CA LYS A 53 -7.786 2.585 5.374 1.00 61.41 C ATOM 907 C LYS A 53 -6.876 1.620 4.606 1.00 43.01 C ATOM 908 O LYS A 53 -6.724 0.458 5.003 1.00 11.23 O ATOM 909 CB LYS A 53 -7.002 3.213 6.551 1.00 1.04 C ATOM 910 CG LYS A 53 -7.764 4.276 7.372 1.00 70.31 C ATOM 911 CD LYS A 53 -6.939 4.825 8.560 1.00 74.35 C ATOM 912 CE LYS A 53 -5.614 5.459 8.121 1.00 12.54 C ATOM 913 NZ LYS A 53 -4.774 5.870 9.271 1.00 63.21 N ATOM 0 H LYS A 53 -8.691 0.889 6.165 1.00 22.32 H new ATOM 0 HA LYS A 53 -8.126 3.402 4.737 1.00 61.41 H new ATOM 0 HB2 LYS A 53 -6.692 2.414 7.224 1.00 1.04 H new ATOM 0 HB3 LYS A 53 -6.093 3.668 6.157 1.00 1.04 H new ATOM 0 HG2 LYS A 53 -8.043 5.102 6.718 1.00 70.31 H new ATOM 0 HG3 LYS A 53 -8.690 3.841 7.749 1.00 70.31 H new ATOM 0 HD2 LYS A 53 -7.531 5.567 9.096 1.00 74.35 H new ATOM 0 HD3 LYS A 53 -6.734 4.015 9.260 1.00 74.35 H new ATOM 0 HE2 LYS A 53 -5.061 4.749 7.506 1.00 12.54 H new ATOM 0 HE3 LYS A 53 -5.820 6.328 7.496 1.00 12.54 H new ATOM 0 HZ1 LYS A 53 -3.817 6.102 8.937 1.00 63.21 H new ATOM 0 HZ2 LYS A 53 -5.193 6.706 9.726 1.00 63.21 H new ATOM 0 HZ3 LYS A 53 -4.721 5.091 9.958 1.00 63.21 H new ATOM 927 N VAL A 54 -6.304 2.100 3.502 1.00 2.14 N ATOM 928 CA VAL A 54 -5.304 1.362 2.701 1.00 2.51 C ATOM 929 C VAL A 54 -3.995 2.178 2.642 1.00 11.31 C ATOM 930 O VAL A 54 -4.032 3.393 2.529 1.00 12.42 O ATOM 931 CB VAL A 54 -5.843 1.080 1.247 1.00 74.53 C ATOM 932 CG1 VAL A 54 -4.801 0.326 0.394 1.00 33.22 C ATOM 933 CG2 VAL A 54 -7.191 0.314 1.288 1.00 34.10 C ATOM 0 H VAL A 54 -6.519 3.024 3.127 1.00 2.14 H new ATOM 0 HA VAL A 54 -5.111 0.400 3.176 1.00 2.51 H new ATOM 0 HB VAL A 54 -6.021 2.045 0.771 1.00 74.53 H new ATOM 0 HG11 VAL A 54 -5.206 0.148 -0.602 1.00 33.22 H new ATOM 0 HG12 VAL A 54 -3.893 0.925 0.315 1.00 33.22 H new ATOM 0 HG13 VAL A 54 -4.566 -0.628 0.866 1.00 33.22 H new ATOM 0 HG21 VAL A 54 -7.538 0.134 0.271 1.00 34.10 H new ATOM 0 HG22 VAL A 54 -7.053 -0.639 1.798 1.00 34.10 H new ATOM 0 HG23 VAL A 54 -7.931 0.908 1.824 1.00 34.10 H new ATOM 943 N LEU A 55 -2.846 1.497 2.763 1.00 61.34 N ATOM 944 CA LEU A 55 -1.511 2.121 2.678 1.00 54.33 C ATOM 945 C LEU A 55 -0.779 1.573 1.447 1.00 43.21 C ATOM 946 O LEU A 55 -0.355 0.417 1.447 1.00 14.24 O ATOM 947 CB LEU A 55 -0.708 1.794 3.961 1.00 51.43 C ATOM 948 CG LEU A 55 0.744 2.365 4.028 1.00 51.14 C ATOM 949 CD1 LEU A 55 0.773 3.905 4.086 1.00 54.31 C ATOM 950 CD2 LEU A 55 1.518 1.742 5.196 1.00 42.13 C ATOM 0 H LEU A 55 -2.813 0.490 2.924 1.00 61.34 H new ATOM 0 HA LEU A 55 -1.611 3.203 2.587 1.00 54.33 H new ATOM 0 HB2 LEU A 55 -1.265 2.171 4.819 1.00 51.43 H new ATOM 0 HB3 LEU A 55 -0.656 0.710 4.066 1.00 51.43 H new ATOM 0 HG LEU A 55 1.243 2.086 3.100 1.00 51.14 H new ATOM 0 HD11 LEU A 55 1.807 4.248 4.131 1.00 54.31 H new ATOM 0 HD12 LEU A 55 0.294 4.312 3.195 1.00 54.31 H new ATOM 0 HD13 LEU A 55 0.238 4.246 4.973 1.00 54.31 H new ATOM 0 HD21 LEU A 55 2.527 2.153 5.225 1.00 42.13 H new ATOM 0 HD22 LEU A 55 1.007 1.968 6.132 1.00 42.13 H new ATOM 0 HD23 LEU A 55 1.571 0.661 5.063 1.00 42.13 H new ATOM 962 N ILE A 56 -0.631 2.399 0.405 1.00 34.21 N ATOM 963 CA ILE A 56 -0.011 1.974 -0.861 1.00 73.52 C ATOM 964 C ILE A 56 1.446 2.489 -0.938 1.00 64.25 C ATOM 965 O ILE A 56 1.660 3.689 -1.065 1.00 71.33 O ATOM 966 CB ILE A 56 -0.842 2.458 -2.113 1.00 72.44 C ATOM 967 CG1 ILE A 56 -2.317 1.948 -2.020 1.00 61.31 C ATOM 968 CG2 ILE A 56 -0.179 1.978 -3.432 1.00 13.42 C ATOM 969 CD1 ILE A 56 -3.247 2.449 -3.112 1.00 22.42 C ATOM 0 H ILE A 56 -0.934 3.373 0.412 1.00 34.21 H new ATOM 0 HA ILE A 56 -0.004 0.884 -0.881 1.00 73.52 H new ATOM 0 HB ILE A 56 -0.854 3.548 -2.116 1.00 72.44 H new ATOM 0 HG12 ILE A 56 -2.309 0.858 -2.044 1.00 61.31 H new ATOM 0 HG13 ILE A 56 -2.726 2.243 -1.054 1.00 61.31 H new ATOM 0 HG21 ILE A 56 -0.768 2.323 -4.282 1.00 13.42 H new ATOM 0 HG22 ILE A 56 0.830 2.385 -3.501 1.00 13.42 H new ATOM 0 HG23 ILE A 56 -0.133 0.889 -3.441 1.00 13.42 H new ATOM 0 HD11 ILE A 56 -4.245 2.038 -2.957 1.00 22.42 H new ATOM 0 HD12 ILE A 56 -3.294 3.538 -3.079 1.00 22.42 H new ATOM 0 HD13 ILE A 56 -2.871 2.131 -4.084 1.00 22.42 H new ATOM 981 N LEU A 57 2.436 1.566 -0.861 1.00 52.42 N ATOM 982 CA LEU A 57 3.879 1.914 -0.944 1.00 33.13 C ATOM 983 C LEU A 57 4.358 1.626 -2.363 1.00 41.41 C ATOM 984 O LEU A 57 4.373 0.468 -2.787 1.00 22.45 O ATOM 985 CB LEU A 57 4.757 1.114 0.073 1.00 52.54 C ATOM 986 CG LEU A 57 4.504 1.365 1.603 1.00 13.45 C ATOM 987 CD1 LEU A 57 4.423 2.872 1.943 1.00 12.32 C ATOM 988 CD2 LEU A 57 3.268 0.600 2.111 1.00 2.13 C ATOM 0 H LEU A 57 2.261 0.568 -0.741 1.00 52.42 H new ATOM 0 HA LEU A 57 3.986 2.969 -0.691 1.00 33.13 H new ATOM 0 HB2 LEU A 57 4.614 0.051 -0.122 1.00 52.54 H new ATOM 0 HB3 LEU A 57 5.803 1.338 -0.136 1.00 52.54 H new ATOM 0 HG LEU A 57 5.370 0.969 2.133 1.00 13.45 H new ATOM 0 HD11 LEU A 57 4.247 2.995 3.012 1.00 12.32 H new ATOM 0 HD12 LEU A 57 5.360 3.357 1.671 1.00 12.32 H new ATOM 0 HD13 LEU A 57 3.604 3.327 1.386 1.00 12.32 H new ATOM 0 HD21 LEU A 57 3.127 0.800 3.173 1.00 2.13 H new ATOM 0 HD22 LEU A 57 2.386 0.927 1.560 1.00 2.13 H new ATOM 0 HD23 LEU A 57 3.414 -0.469 1.960 1.00 2.13 H new ATOM 1000 N VAL A 58 4.748 2.676 -3.084 1.00 3.12 N ATOM 1001 CA VAL A 58 5.138 2.588 -4.500 1.00 52.51 C ATOM 1002 C VAL A 58 6.630 2.903 -4.672 1.00 51.32 C ATOM 1003 O VAL A 58 7.213 3.627 -3.865 1.00 63.40 O ATOM 1004 CB VAL A 58 4.277 3.571 -5.363 1.00 31.43 C ATOM 1005 CG1 VAL A 58 2.768 3.270 -5.227 1.00 71.13 C ATOM 1006 CG2 VAL A 58 4.569 5.040 -5.011 1.00 72.12 C ATOM 0 H VAL A 58 4.804 3.621 -2.704 1.00 3.12 H new ATOM 0 HA VAL A 58 4.958 1.569 -4.842 1.00 52.51 H new ATOM 0 HB VAL A 58 4.561 3.413 -6.403 1.00 31.43 H new ATOM 0 HG11 VAL A 58 2.201 3.971 -5.839 1.00 71.13 H new ATOM 0 HG12 VAL A 58 2.568 2.252 -5.562 1.00 71.13 H new ATOM 0 HG13 VAL A 58 2.469 3.374 -4.184 1.00 71.13 H new ATOM 0 HG21 VAL A 58 3.953 5.692 -5.630 1.00 72.12 H new ATOM 0 HG22 VAL A 58 4.339 5.215 -3.960 1.00 72.12 H new ATOM 0 HG23 VAL A 58 5.622 5.255 -5.193 1.00 72.12 H new ATOM 1016 N SER A 59 7.232 2.360 -5.734 1.00 43.23 N ATOM 1017 CA SER A 59 8.648 2.614 -6.058 1.00 64.01 C ATOM 1018 C SER A 59 8.835 3.961 -6.792 1.00 72.05 C ATOM 1019 O SER A 59 9.793 4.693 -6.526 1.00 1.12 O ATOM 1020 CB SER A 59 9.200 1.455 -6.912 1.00 13.40 C ATOM 1021 OG SER A 59 9.108 0.219 -6.216 1.00 4.23 O ATOM 0 H SER A 59 6.761 1.737 -6.391 1.00 43.23 H new ATOM 0 HA SER A 59 9.204 2.674 -5.123 1.00 64.01 H new ATOM 0 HB2 SER A 59 8.644 1.392 -7.848 1.00 13.40 H new ATOM 0 HB3 SER A 59 10.240 1.653 -7.172 1.00 13.40 H new ATOM 0 HG SER A 59 9.961 -0.259 -6.284 1.00 4.23 H new ATOM 1027 N ASN A 60 7.898 4.279 -7.711 1.00 2.43 N ATOM 1028 CA ASN A 60 8.016 5.448 -8.624 1.00 72.51 C ATOM 1029 C ASN A 60 6.903 6.469 -8.369 1.00 65.35 C ATOM 1030 O ASN A 60 5.830 6.118 -7.868 1.00 44.31 O ATOM 1031 CB ASN A 60 7.956 4.989 -10.110 1.00 4.52 C ATOM 1032 CG ASN A 60 9.132 4.101 -10.514 1.00 2.24 C ATOM 1033 OD1 ASN A 60 10.176 4.592 -10.958 1.00 20.42 O ATOM 1034 ND2 ASN A 60 8.976 2.791 -10.366 1.00 74.23 N ATOM 0 H ASN A 60 7.042 3.740 -7.845 1.00 2.43 H new ATOM 0 HA ASN A 60 8.978 5.920 -8.425 1.00 72.51 H new ATOM 0 HB2 ASN A 60 7.025 4.447 -10.279 1.00 4.52 H new ATOM 0 HB3 ASN A 60 7.935 5.868 -10.754 1.00 4.52 H new ATOM 0 HD21 ASN A 60 9.732 2.155 -10.622 1.00 74.23 H new ATOM 0 HD22 ASN A 60 8.101 2.420 -9.996 1.00 74.23 H new ATOM 1041 N ASP A 61 7.179 7.740 -8.748 1.00 61.43 N ATOM 1042 CA ASP A 61 6.191 8.848 -8.721 1.00 21.25 C ATOM 1043 C ASP A 61 5.022 8.566 -9.677 1.00 3.05 C ATOM 1044 O ASP A 61 3.906 9.052 -9.469 1.00 2.42 O ATOM 1045 CB ASP A 61 6.866 10.202 -9.092 1.00 73.30 C ATOM 1046 CG ASP A 61 7.400 10.250 -10.543 1.00 60.23 C ATOM 1047 OD1 ASP A 61 6.629 10.599 -11.472 1.00 70.13 O ATOM 1048 OD2 ASP A 61 8.588 9.941 -10.760 1.00 52.24 O ATOM 0 H ASP A 61 8.098 8.028 -9.083 1.00 61.43 H new ATOM 0 HA ASP A 61 5.801 8.918 -7.706 1.00 21.25 H new ATOM 0 HB2 ASP A 61 6.146 11.008 -8.952 1.00 73.30 H new ATOM 0 HB3 ASP A 61 7.691 10.388 -8.404 1.00 73.30 H new ATOM 1053 N GLU A 62 5.315 7.790 -10.734 1.00 13.41 N ATOM 1054 CA GLU A 62 4.328 7.363 -11.724 1.00 44.20 C ATOM 1055 C GLU A 62 3.240 6.503 -11.052 1.00 2.43 C ATOM 1056 O GLU A 62 2.036 6.735 -11.227 1.00 72.13 O ATOM 1057 CB GLU A 62 5.038 6.560 -12.841 1.00 4.42 C ATOM 1058 CG GLU A 62 4.208 6.380 -14.125 1.00 35.41 C ATOM 1059 CD GLU A 62 3.913 7.717 -14.836 1.00 40.50 C ATOM 1060 OE1 GLU A 62 4.761 8.177 -15.637 1.00 71.42 O ATOM 1061 OE2 GLU A 62 2.844 8.321 -14.589 1.00 65.10 O ATOM 0 H GLU A 62 6.255 7.441 -10.922 1.00 13.41 H new ATOM 0 HA GLU A 62 3.850 8.239 -12.162 1.00 44.20 H new ATOM 0 HB2 GLU A 62 5.972 7.062 -13.095 1.00 4.42 H new ATOM 0 HB3 GLU A 62 5.301 5.576 -12.453 1.00 4.42 H new ATOM 0 HG2 GLU A 62 4.742 5.720 -14.808 1.00 35.41 H new ATOM 0 HG3 GLU A 62 3.267 5.889 -13.878 1.00 35.41 H new ATOM 1068 N GLU A 63 3.710 5.538 -10.246 1.00 34.25 N ATOM 1069 CA GLU A 63 2.854 4.595 -9.513 1.00 2.12 C ATOM 1070 C GLU A 63 2.134 5.305 -8.348 1.00 63.20 C ATOM 1071 O GLU A 63 1.028 4.910 -7.969 1.00 74.24 O ATOM 1072 CB GLU A 63 3.707 3.406 -8.988 1.00 51.31 C ATOM 1073 CG GLU A 63 4.689 2.800 -10.014 1.00 2.11 C ATOM 1074 CD GLU A 63 4.023 2.388 -11.341 1.00 14.33 C ATOM 1075 OE1 GLU A 63 3.381 1.323 -11.379 1.00 13.05 O ATOM 1076 OE2 GLU A 63 4.144 3.131 -12.348 1.00 72.10 O ATOM 0 H GLU A 63 4.706 5.390 -10.084 1.00 34.25 H new ATOM 0 HA GLU A 63 2.094 4.209 -10.192 1.00 2.12 H new ATOM 0 HB2 GLU A 63 4.274 3.742 -8.120 1.00 51.31 H new ATOM 0 HB3 GLU A 63 3.034 2.620 -8.645 1.00 51.31 H new ATOM 0 HG2 GLU A 63 5.476 3.525 -10.222 1.00 2.11 H new ATOM 0 HG3 GLU A 63 5.169 1.927 -9.572 1.00 2.11 H new ATOM 1083 N LEU A 64 2.804 6.335 -7.779 1.00 11.41 N ATOM 1084 CA LEU A 64 2.249 7.208 -6.724 1.00 52.15 C ATOM 1085 C LEU A 64 0.957 7.868 -7.207 1.00 31.33 C ATOM 1086 O LEU A 64 -0.117 7.631 -6.642 1.00 72.23 O ATOM 1087 CB LEU A 64 3.297 8.294 -6.335 1.00 50.21 C ATOM 1088 CG LEU A 64 2.868 9.344 -5.255 1.00 50.40 C ATOM 1089 CD1 LEU A 64 2.695 8.699 -3.866 1.00 64.44 C ATOM 1090 CD2 LEU A 64 3.864 10.525 -5.210 1.00 1.23 C ATOM 0 H LEU A 64 3.757 6.584 -8.045 1.00 11.41 H new ATOM 0 HA LEU A 64 2.021 6.603 -5.846 1.00 52.15 H new ATOM 0 HB2 LEU A 64 4.193 7.787 -5.977 1.00 50.21 H new ATOM 0 HB3 LEU A 64 3.577 8.834 -7.240 1.00 50.21 H new ATOM 0 HG LEU A 64 1.894 9.737 -5.546 1.00 50.40 H new ATOM 0 HD11 LEU A 64 2.397 9.461 -3.146 1.00 64.44 H new ATOM 0 HD12 LEU A 64 1.927 7.927 -3.916 1.00 64.44 H new ATOM 0 HD13 LEU A 64 3.638 8.252 -3.552 1.00 64.44 H new ATOM 0 HD21 LEU A 64 3.545 11.241 -4.453 1.00 1.23 H new ATOM 0 HD22 LEU A 64 4.858 10.153 -4.962 1.00 1.23 H new ATOM 0 HD23 LEU A 64 3.892 11.015 -6.183 1.00 1.23 H new ATOM 1102 N ASP A 65 1.083 8.642 -8.305 1.00 73.03 N ATOM 1103 CA ASP A 65 -0.021 9.401 -8.902 1.00 24.04 C ATOM 1104 C ASP A 65 -1.145 8.455 -9.355 1.00 52.15 C ATOM 1105 O ASP A 65 -2.316 8.712 -9.080 1.00 10.14 O ATOM 1106 CB ASP A 65 0.496 10.250 -10.093 1.00 0.04 C ATOM 1107 CG ASP A 65 -0.600 11.122 -10.736 1.00 73.22 C ATOM 1108 OD1 ASP A 65 -0.896 12.218 -10.201 1.00 71.20 O ATOM 1109 OD2 ASP A 65 -1.167 10.721 -11.774 1.00 33.51 O ATOM 0 H ASP A 65 1.966 8.755 -8.803 1.00 73.03 H new ATOM 0 HA ASP A 65 -0.429 10.074 -8.148 1.00 24.04 H new ATOM 0 HB2 ASP A 65 1.307 10.892 -9.749 1.00 0.04 H new ATOM 0 HB3 ASP A 65 0.914 9.586 -10.850 1.00 0.04 H new ATOM 1114 N LYS A 66 -0.744 7.327 -9.975 1.00 23.41 N ATOM 1115 CA LYS A 66 -1.666 6.312 -10.510 1.00 4.50 C ATOM 1116 C LYS A 66 -2.590 5.758 -9.403 1.00 23.44 C ATOM 1117 O LYS A 66 -3.821 5.746 -9.542 1.00 74.31 O ATOM 1118 CB LYS A 66 -0.845 5.153 -11.144 1.00 60.03 C ATOM 1119 CG LYS A 66 -1.688 4.097 -11.896 1.00 64.25 C ATOM 1120 CD LYS A 66 -2.337 4.669 -13.178 1.00 44.24 C ATOM 1121 CE LYS A 66 -3.280 3.675 -13.873 1.00 22.24 C ATOM 1122 NZ LYS A 66 -3.751 4.198 -15.182 1.00 74.35 N ATOM 0 H LYS A 66 0.239 7.095 -10.118 1.00 23.41 H new ATOM 0 HA LYS A 66 -2.293 6.779 -11.269 1.00 4.50 H new ATOM 0 HB2 LYS A 66 -0.118 5.578 -11.837 1.00 60.03 H new ATOM 0 HB3 LYS A 66 -0.281 4.653 -10.357 1.00 60.03 H new ATOM 0 HG2 LYS A 66 -1.055 3.250 -12.159 1.00 64.25 H new ATOM 0 HG3 LYS A 66 -2.467 3.719 -11.234 1.00 64.25 H new ATOM 0 HD2 LYS A 66 -2.893 5.571 -12.925 1.00 44.24 H new ATOM 0 HD3 LYS A 66 -1.552 4.964 -13.875 1.00 44.24 H new ATOM 0 HE2 LYS A 66 -2.765 2.726 -14.023 1.00 22.24 H new ATOM 0 HE3 LYS A 66 -4.137 3.474 -13.230 1.00 22.24 H new ATOM 0 HZ1 LYS A 66 -4.386 3.503 -15.625 1.00 74.35 H new ATOM 0 HZ2 LYS A 66 -4.264 5.091 -15.035 1.00 74.35 H new ATOM 0 HZ3 LYS A 66 -2.934 4.366 -15.803 1.00 74.35 H new ATOM 1136 N ALA A 67 -1.962 5.342 -8.289 1.00 42.52 N ATOM 1137 CA ALA A 67 -2.653 4.715 -7.158 1.00 43.12 C ATOM 1138 C ALA A 67 -3.521 5.722 -6.382 1.00 41.44 C ATOM 1139 O ALA A 67 -4.528 5.327 -5.800 1.00 23.51 O ATOM 1140 CB ALA A 67 -1.636 4.046 -6.230 1.00 10.05 C ATOM 0 H ALA A 67 -0.955 5.434 -8.151 1.00 42.52 H new ATOM 0 HA ALA A 67 -3.326 3.956 -7.557 1.00 43.12 H new ATOM 0 HB1 ALA A 67 -2.157 3.583 -5.392 1.00 10.05 H new ATOM 0 HB2 ALA A 67 -1.086 3.283 -6.782 1.00 10.05 H new ATOM 0 HB3 ALA A 67 -0.939 4.795 -5.854 1.00 10.05 H new ATOM 1146 N LYS A 68 -3.118 7.019 -6.372 1.00 31.34 N ATOM 1147 CA LYS A 68 -3.920 8.102 -5.750 1.00 33.31 C ATOM 1148 C LYS A 68 -5.199 8.384 -6.555 1.00 72.52 C ATOM 1149 O LYS A 68 -6.251 8.638 -5.966 1.00 52.41 O ATOM 1150 CB LYS A 68 -3.109 9.414 -5.599 1.00 14.21 C ATOM 1151 CG LYS A 68 -1.906 9.320 -4.639 1.00 54.35 C ATOM 1152 CD LYS A 68 -1.262 10.691 -4.328 1.00 23.04 C ATOM 1153 CE LYS A 68 -0.729 11.406 -5.581 1.00 2.54 C ATOM 1154 NZ LYS A 68 -0.163 12.745 -5.260 1.00 54.11 N ATOM 0 H LYS A 68 -2.243 7.339 -6.788 1.00 31.34 H new ATOM 0 HA LYS A 68 -4.193 7.749 -4.756 1.00 33.31 H new ATOM 0 HB2 LYS A 68 -2.749 9.718 -6.582 1.00 14.21 H new ATOM 0 HB3 LYS A 68 -3.777 10.200 -5.247 1.00 14.21 H new ATOM 0 HG2 LYS A 68 -2.230 8.859 -3.706 1.00 54.35 H new ATOM 0 HG3 LYS A 68 -1.153 8.663 -5.075 1.00 54.35 H new ATOM 0 HD2 LYS A 68 -1.998 11.329 -3.839 1.00 23.04 H new ATOM 0 HD3 LYS A 68 -0.444 10.549 -3.622 1.00 23.04 H new ATOM 0 HE2 LYS A 68 0.039 10.791 -6.051 1.00 2.54 H new ATOM 0 HE3 LYS A 68 -1.536 11.517 -6.306 1.00 2.54 H new ATOM 0 HZ1 LYS A 68 0.185 13.193 -6.132 1.00 54.11 H new ATOM 0 HZ2 LYS A 68 -0.902 13.341 -4.835 1.00 54.11 H new ATOM 0 HZ3 LYS A 68 0.624 12.637 -4.588 1.00 54.11 H new ATOM 1168 N GLU A 69 -5.088 8.335 -7.904 1.00 12.45 N ATOM 1169 CA GLU A 69 -6.240 8.542 -8.810 1.00 54.32 C ATOM 1170 C GLU A 69 -7.278 7.438 -8.579 1.00 30.01 C ATOM 1171 O GLU A 69 -8.461 7.724 -8.359 1.00 61.14 O ATOM 1172 CB GLU A 69 -5.796 8.560 -10.298 1.00 51.33 C ATOM 1173 CG GLU A 69 -4.840 9.708 -10.659 1.00 72.05 C ATOM 1174 CD GLU A 69 -4.398 9.685 -12.126 1.00 43.15 C ATOM 1175 OE1 GLU A 69 -3.729 8.710 -12.536 1.00 2.33 O ATOM 1176 OE2 GLU A 69 -4.751 10.621 -12.885 1.00 13.11 O ATOM 0 H GLU A 69 -4.209 8.153 -8.389 1.00 12.45 H new ATOM 0 HA GLU A 69 -6.683 9.513 -8.586 1.00 54.32 H new ATOM 0 HB2 GLU A 69 -5.311 7.612 -10.532 1.00 51.33 H new ATOM 0 HB3 GLU A 69 -6.682 8.629 -10.929 1.00 51.33 H new ATOM 0 HG2 GLU A 69 -5.329 10.659 -10.448 1.00 72.05 H new ATOM 0 HG3 GLU A 69 -3.959 9.653 -10.020 1.00 72.05 H new ATOM 1183 N LEU A 70 -6.782 6.181 -8.552 1.00 1.04 N ATOM 1184 CA LEU A 70 -7.610 4.985 -8.332 1.00 40.24 C ATOM 1185 C LEU A 70 -8.263 5.031 -6.934 1.00 61.14 C ATOM 1186 O LEU A 70 -9.459 4.810 -6.817 1.00 22.42 O ATOM 1187 CB LEU A 70 -6.758 3.691 -8.530 1.00 53.04 C ATOM 1188 CG LEU A 70 -6.197 3.466 -9.981 1.00 22.23 C ATOM 1189 CD1 LEU A 70 -5.288 2.212 -10.052 1.00 52.44 C ATOM 1190 CD2 LEU A 70 -7.342 3.388 -11.029 1.00 12.54 C ATOM 0 H LEU A 70 -5.792 5.972 -8.683 1.00 1.04 H new ATOM 0 HA LEU A 70 -8.413 4.968 -9.069 1.00 40.24 H new ATOM 0 HB2 LEU A 70 -5.919 3.720 -7.835 1.00 53.04 H new ATOM 0 HB3 LEU A 70 -7.368 2.830 -8.258 1.00 53.04 H new ATOM 0 HG LEU A 70 -5.583 4.332 -10.227 1.00 22.23 H new ATOM 0 HD11 LEU A 70 -4.918 2.088 -11.070 1.00 52.44 H new ATOM 0 HD12 LEU A 70 -4.445 2.335 -9.372 1.00 52.44 H new ATOM 0 HD13 LEU A 70 -5.861 1.331 -9.764 1.00 52.44 H new ATOM 0 HD21 LEU A 70 -6.918 3.232 -12.021 1.00 12.54 H new ATOM 0 HD22 LEU A 70 -8.004 2.558 -10.783 1.00 12.54 H new ATOM 0 HD23 LEU A 70 -7.908 4.319 -11.019 1.00 12.54 H new ATOM 1202 N ALA A 71 -7.464 5.381 -5.905 1.00 73.24 N ATOM 1203 CA ALA A 71 -7.911 5.511 -4.496 1.00 2.41 C ATOM 1204 C ALA A 71 -9.126 6.444 -4.327 1.00 73.42 C ATOM 1205 O ALA A 71 -10.125 6.077 -3.679 1.00 52.50 O ATOM 1206 CB ALA A 71 -6.740 6.030 -3.654 1.00 11.20 C ATOM 0 H ALA A 71 -6.472 5.585 -6.028 1.00 73.24 H new ATOM 0 HA ALA A 71 -8.230 4.524 -4.161 1.00 2.41 H new ATOM 0 HB1 ALA A 71 -7.055 6.130 -2.615 1.00 11.20 H new ATOM 0 HB2 ALA A 71 -5.909 5.328 -3.715 1.00 11.20 H new ATOM 0 HB3 ALA A 71 -6.422 7.002 -4.032 1.00 11.20 H new ATOM 1212 N GLN A 72 -9.017 7.650 -4.920 1.00 51.42 N ATOM 1213 CA GLN A 72 -10.076 8.675 -4.880 1.00 23.31 C ATOM 1214 C GLN A 72 -11.329 8.198 -5.638 1.00 15.14 C ATOM 1215 O GLN A 72 -12.456 8.415 -5.177 1.00 35.44 O ATOM 1216 CB GLN A 72 -9.539 10.013 -5.458 1.00 55.30 C ATOM 1217 CG GLN A 72 -8.375 10.630 -4.637 1.00 32.44 C ATOM 1218 CD GLN A 72 -7.801 11.922 -5.234 1.00 21.01 C ATOM 1219 OE1 GLN A 72 -8.503 12.706 -5.869 1.00 4.20 O ATOM 1220 NE2 GLN A 72 -6.512 12.155 -5.030 1.00 75.33 N ATOM 0 H GLN A 72 -8.189 7.940 -5.441 1.00 51.42 H new ATOM 0 HA GLN A 72 -10.367 8.842 -3.843 1.00 23.31 H new ATOM 0 HB2 GLN A 72 -9.201 9.846 -6.481 1.00 55.30 H new ATOM 0 HB3 GLN A 72 -10.357 10.731 -5.506 1.00 55.30 H new ATOM 0 HG2 GLN A 72 -8.727 10.835 -3.626 1.00 32.44 H new ATOM 0 HG3 GLN A 72 -7.575 9.895 -4.553 1.00 32.44 H new ATOM 0 HE21 GLN A 72 -5.951 11.488 -4.500 1.00 75.33 H new ATOM 0 HE22 GLN A 72 -6.081 13.001 -5.403 1.00 75.33 H new ATOM 1229 N LYS A 73 -11.108 7.492 -6.768 1.00 14.22 N ATOM 1230 CA LYS A 73 -12.190 6.905 -7.590 1.00 35.31 C ATOM 1231 C LYS A 73 -12.977 5.853 -6.796 1.00 52.53 C ATOM 1232 O LYS A 73 -14.200 5.790 -6.883 1.00 41.41 O ATOM 1233 CB LYS A 73 -11.609 6.261 -8.881 1.00 33.41 C ATOM 1234 CG LYS A 73 -11.118 7.267 -9.941 1.00 74.33 C ATOM 1235 CD LYS A 73 -12.258 8.084 -10.588 1.00 64.33 C ATOM 1236 CE LYS A 73 -13.255 7.203 -11.362 1.00 23.22 C ATOM 1237 NZ LYS A 73 -14.333 8.007 -11.993 1.00 31.02 N ATOM 0 H LYS A 73 -10.174 7.313 -7.137 1.00 14.22 H new ATOM 0 HA LYS A 73 -12.869 7.711 -7.868 1.00 35.31 H new ATOM 0 HB2 LYS A 73 -10.778 5.612 -8.604 1.00 33.41 H new ATOM 0 HB3 LYS A 73 -12.373 5.626 -9.329 1.00 33.41 H new ATOM 0 HG2 LYS A 73 -10.407 7.952 -9.479 1.00 74.33 H new ATOM 0 HG3 LYS A 73 -10.580 6.728 -10.721 1.00 74.33 H new ATOM 0 HD2 LYS A 73 -12.791 8.633 -9.812 1.00 64.33 H new ATOM 0 HD3 LYS A 73 -11.831 8.823 -11.266 1.00 64.33 H new ATOM 0 HE2 LYS A 73 -12.723 6.643 -12.131 1.00 23.22 H new ATOM 0 HE3 LYS A 73 -13.697 6.473 -10.684 1.00 23.22 H new ATOM 0 HZ1 LYS A 73 -14.983 7.376 -12.504 1.00 31.02 H new ATOM 0 HZ2 LYS A 73 -14.858 8.522 -11.258 1.00 31.02 H new ATOM 0 HZ3 LYS A 73 -13.914 8.686 -12.660 1.00 31.02 H new ATOM 1251 N MET A 74 -12.249 5.042 -6.009 1.00 21.41 N ATOM 1252 CA MET A 74 -12.842 3.978 -5.175 1.00 52.53 C ATOM 1253 C MET A 74 -13.492 4.573 -3.913 1.00 74.31 C ATOM 1254 O MET A 74 -14.205 3.862 -3.206 1.00 24.04 O ATOM 1255 CB MET A 74 -11.762 2.953 -4.749 1.00 25.13 C ATOM 1256 CG MET A 74 -10.979 2.309 -5.895 1.00 70.24 C ATOM 1257 SD MET A 74 -11.945 1.223 -6.956 1.00 10.14 S ATOM 1258 CE MET A 74 -10.629 0.467 -7.920 1.00 11.42 C ATOM 0 H MET A 74 -11.234 5.104 -5.932 1.00 21.41 H new ATOM 0 HA MET A 74 -13.604 3.476 -5.772 1.00 52.53 H new ATOM 0 HB2 MET A 74 -11.056 3.450 -4.084 1.00 25.13 H new ATOM 0 HB3 MET A 74 -12.243 2.163 -4.171 1.00 25.13 H new ATOM 0 HG2 MET A 74 -10.544 3.099 -6.508 1.00 70.24 H new ATOM 0 HG3 MET A 74 -10.150 1.739 -5.474 1.00 70.24 H new ATOM 0 HE1 MET A 74 -11.005 0.211 -8.911 1.00 11.42 H new ATOM 0 HE2 MET A 74 -9.800 1.168 -8.016 1.00 11.42 H new ATOM 0 HE3 MET A 74 -10.284 -0.437 -7.418 1.00 11.42 H new ATOM 1268 N GLU A 75 -13.208 5.883 -3.645 1.00 63.34 N ATOM 1269 CA GLU A 75 -13.716 6.638 -2.467 1.00 74.22 C ATOM 1270 C GLU A 75 -13.212 6.062 -1.117 1.00 32.13 C ATOM 1271 O GLU A 75 -13.741 6.411 -0.054 1.00 31.33 O ATOM 1272 CB GLU A 75 -15.269 6.691 -2.487 1.00 41.41 C ATOM 1273 CG GLU A 75 -15.880 7.313 -3.754 1.00 71.13 C ATOM 1274 CD GLU A 75 -17.410 7.182 -3.792 1.00 41.34 C ATOM 1275 OE1 GLU A 75 -18.105 8.015 -3.166 1.00 20.31 O ATOM 1276 OE2 GLU A 75 -17.920 6.238 -4.434 1.00 0.44 O ATOM 0 H GLU A 75 -12.612 6.447 -4.251 1.00 63.34 H new ATOM 0 HA GLU A 75 -13.317 7.649 -2.546 1.00 74.22 H new ATOM 0 HB2 GLU A 75 -15.654 5.677 -2.376 1.00 41.41 H new ATOM 0 HB3 GLU A 75 -15.610 7.258 -1.621 1.00 41.41 H new ATOM 0 HG2 GLU A 75 -15.607 8.367 -3.806 1.00 71.13 H new ATOM 0 HG3 GLU A 75 -15.455 6.830 -4.634 1.00 71.13 H new ATOM 1283 N ILE A 76 -12.178 5.211 -1.171 1.00 45.31 N ATOM 1284 CA ILE A 76 -11.588 4.571 0.023 1.00 42.31 C ATOM 1285 C ILE A 76 -10.521 5.509 0.616 1.00 53.44 C ATOM 1286 O ILE A 76 -9.796 6.158 -0.149 1.00 44.02 O ATOM 1287 CB ILE A 76 -10.940 3.183 -0.356 1.00 21.13 C ATOM 1288 CG1 ILE A 76 -11.984 2.263 -1.059 1.00 40.33 C ATOM 1289 CG2 ILE A 76 -10.352 2.469 0.889 1.00 21.24 C ATOM 1290 CD1 ILE A 76 -11.412 0.979 -1.628 1.00 23.14 C ATOM 0 H ILE A 76 -11.723 4.944 -2.044 1.00 45.31 H new ATOM 0 HA ILE A 76 -12.371 4.390 0.760 1.00 42.31 H new ATOM 0 HB ILE A 76 -10.121 3.383 -1.047 1.00 21.13 H new ATOM 0 HG12 ILE A 76 -12.767 2.011 -0.343 1.00 40.33 H new ATOM 0 HG13 ILE A 76 -12.458 2.823 -1.865 1.00 40.33 H new ATOM 0 HG21 ILE A 76 -9.914 1.517 0.589 1.00 21.24 H new ATOM 0 HG22 ILE A 76 -9.582 3.096 1.339 1.00 21.24 H new ATOM 0 HG23 ILE A 76 -11.145 2.291 1.615 1.00 21.24 H new ATOM 0 HD11 ILE A 76 -12.209 0.402 -2.098 1.00 23.14 H new ATOM 0 HD12 ILE A 76 -10.651 1.218 -2.371 1.00 23.14 H new ATOM 0 HD13 ILE A 76 -10.965 0.393 -0.825 1.00 23.14 H new ATOM 1302 N ASP A 77 -10.439 5.602 1.968 1.00 11.34 N ATOM 1303 CA ASP A 77 -9.388 6.392 2.637 1.00 12.42 C ATOM 1304 C ASP A 77 -8.042 5.693 2.439 1.00 24.33 C ATOM 1305 O ASP A 77 -7.862 4.567 2.897 1.00 63.54 O ATOM 1306 CB ASP A 77 -9.672 6.565 4.146 1.00 41.15 C ATOM 1307 CG ASP A 77 -8.587 7.429 4.835 1.00 33.23 C ATOM 1308 OD1 ASP A 77 -8.639 8.659 4.699 1.00 31.53 O ATOM 1309 OD2 ASP A 77 -7.672 6.887 5.488 1.00 44.21 O ATOM 0 H ASP A 77 -11.086 5.141 2.607 1.00 11.34 H new ATOM 0 HA ASP A 77 -9.370 7.387 2.192 1.00 12.42 H new ATOM 0 HB2 ASP A 77 -10.649 7.030 4.282 1.00 41.15 H new ATOM 0 HB3 ASP A 77 -9.716 5.586 4.623 1.00 41.15 H new ATOM 1314 N VAL A 78 -7.122 6.340 1.712 1.00 21.52 N ATOM 1315 CA VAL A 78 -5.814 5.757 1.377 1.00 35.45 C ATOM 1316 C VAL A 78 -4.666 6.753 1.658 1.00 42.34 C ATOM 1317 O VAL A 78 -4.783 7.955 1.397 1.00 54.43 O ATOM 1318 CB VAL A 78 -5.774 5.311 -0.142 1.00 54.03 C ATOM 1319 CG1 VAL A 78 -4.406 4.711 -0.524 1.00 20.40 C ATOM 1320 CG2 VAL A 78 -6.921 4.317 -0.481 1.00 34.10 C ATOM 0 H VAL A 78 -7.262 7.279 1.340 1.00 21.52 H new ATOM 0 HA VAL A 78 -5.674 4.881 2.011 1.00 35.45 H new ATOM 0 HB VAL A 78 -5.924 6.212 -0.737 1.00 54.03 H new ATOM 0 HG11 VAL A 78 -4.418 4.417 -1.574 1.00 20.40 H new ATOM 0 HG12 VAL A 78 -3.625 5.455 -0.364 1.00 20.40 H new ATOM 0 HG13 VAL A 78 -4.206 3.837 0.095 1.00 20.40 H new ATOM 0 HG21 VAL A 78 -6.859 4.035 -1.532 1.00 34.10 H new ATOM 0 HG22 VAL A 78 -6.826 3.426 0.140 1.00 34.10 H new ATOM 0 HG23 VAL A 78 -7.883 4.792 -0.289 1.00 34.10 H new ATOM 1330 N ARG A 79 -3.556 6.208 2.195 1.00 71.12 N ATOM 1331 CA ARG A 79 -2.255 6.878 2.291 1.00 34.55 C ATOM 1332 C ARG A 79 -1.354 6.260 1.209 1.00 42.42 C ATOM 1333 O ARG A 79 -0.889 5.130 1.371 1.00 53.42 O ATOM 1334 CB ARG A 79 -1.587 6.677 3.693 1.00 52.03 C ATOM 1335 CG ARG A 79 -2.070 7.596 4.837 1.00 11.42 C ATOM 1336 CD ARG A 79 -3.509 7.336 5.312 1.00 20.14 C ATOM 1337 NE ARG A 79 -3.778 8.074 6.560 1.00 11.40 N ATOM 1338 CZ ARG A 79 -4.825 8.874 6.795 1.00 52.45 C ATOM 1339 NH1 ARG A 79 -5.757 9.080 5.880 1.00 63.12 N ATOM 1340 NH2 ARG A 79 -4.935 9.449 7.972 1.00 71.13 N ATOM 0 H ARG A 79 -3.545 5.265 2.583 1.00 71.12 H new ATOM 0 HA ARG A 79 -2.391 7.951 2.154 1.00 34.55 H new ATOM 0 HB2 ARG A 79 -1.746 5.643 3.999 1.00 52.03 H new ATOM 0 HB3 ARG A 79 -0.512 6.814 3.579 1.00 52.03 H new ATOM 0 HG2 ARG A 79 -1.396 7.480 5.686 1.00 11.42 H new ATOM 0 HG3 ARG A 79 -1.993 8.632 4.508 1.00 11.42 H new ATOM 0 HD2 ARG A 79 -4.215 7.644 4.540 1.00 20.14 H new ATOM 0 HD3 ARG A 79 -3.658 6.268 5.474 1.00 20.14 H new ATOM 0 HE ARG A 79 -3.102 7.964 7.316 1.00 11.40 H new ATOM 0 HH11 ARG A 79 -5.688 8.624 4.970 1.00 63.12 H new ATOM 0 HH12 ARG A 79 -6.545 9.694 6.084 1.00 63.12 H new ATOM 0 HH21 ARG A 79 -4.229 9.282 8.689 1.00 71.13 H new ATOM 0 HH22 ARG A 79 -5.726 10.062 8.168 1.00 71.13 H new ATOM 1354 N THR A 80 -1.111 6.984 0.113 1.00 33.45 N ATOM 1355 CA THR A 80 -0.238 6.498 -0.971 1.00 41.41 C ATOM 1356 C THR A 80 1.100 7.231 -0.841 1.00 51.30 C ATOM 1357 O THR A 80 1.154 8.454 -0.979 1.00 33.24 O ATOM 1358 CB THR A 80 -0.848 6.736 -2.389 1.00 24.44 C ATOM 1359 OG1 THR A 80 -2.194 6.234 -2.432 1.00 22.35 O ATOM 1360 CG2 THR A 80 -0.026 6.049 -3.497 1.00 32.52 C ATOM 0 H THR A 80 -1.505 7.910 -0.052 1.00 33.45 H new ATOM 0 HA THR A 80 -0.116 5.419 -0.873 1.00 41.41 H new ATOM 0 HB THR A 80 -0.834 7.811 -2.569 1.00 24.44 H new ATOM 0 HG1 THR A 80 -2.572 6.388 -3.323 1.00 22.35 H new ATOM 0 HG21 THR A 80 -0.488 6.242 -4.465 1.00 32.52 H new ATOM 0 HG22 THR A 80 0.990 6.444 -3.494 1.00 32.52 H new ATOM 0 HG23 THR A 80 0.002 4.974 -3.316 1.00 32.52 H new ATOM 1368 N ARG A 81 2.158 6.478 -0.530 1.00 64.44 N ATOM 1369 CA ARG A 81 3.489 7.018 -0.218 1.00 72.50 C ATOM 1370 C ARG A 81 4.516 6.452 -1.207 1.00 12.35 C ATOM 1371 O ARG A 81 4.590 5.232 -1.386 1.00 61.52 O ATOM 1372 CB ARG A 81 3.879 6.627 1.238 1.00 55.00 C ATOM 1373 CG ARG A 81 2.872 7.062 2.333 1.00 32.34 C ATOM 1374 CD ARG A 81 2.601 8.576 2.340 1.00 44.52 C ATOM 1375 NE ARG A 81 3.847 9.367 2.405 1.00 75.53 N ATOM 1376 CZ ARG A 81 3.950 10.689 2.162 1.00 12.22 C ATOM 1377 NH1 ARG A 81 2.888 11.421 1.843 1.00 41.15 N ATOM 1378 NH2 ARG A 81 5.138 11.269 2.222 1.00 23.51 N ATOM 0 H ARG A 81 2.116 5.460 -0.486 1.00 64.44 H new ATOM 0 HA ARG A 81 3.473 8.104 -0.304 1.00 72.50 H new ATOM 0 HB2 ARG A 81 3.998 5.545 1.286 1.00 55.00 H new ATOM 0 HB3 ARG A 81 4.851 7.065 1.466 1.00 55.00 H new ATOM 0 HG2 ARG A 81 1.931 6.532 2.184 1.00 32.34 H new ATOM 0 HG3 ARG A 81 3.255 6.763 3.309 1.00 32.34 H new ATOM 0 HD2 ARG A 81 2.047 8.848 1.442 1.00 44.52 H new ATOM 0 HD3 ARG A 81 1.969 8.826 3.192 1.00 44.52 H new ATOM 0 HE ARG A 81 4.702 8.871 2.655 1.00 75.53 H new ATOM 0 HH11 ARG A 81 1.969 10.984 1.777 1.00 41.15 H new ATOM 0 HH12 ARG A 81 2.992 12.420 1.664 1.00 41.15 H new ATOM 0 HH21 ARG A 81 5.964 10.716 2.450 1.00 23.51 H new ATOM 0 HH22 ARG A 81 5.227 12.269 2.040 1.00 23.51 H new ATOM 1392 N LYS A 82 5.303 7.344 -1.840 1.00 4.00 N ATOM 1393 CA LYS A 82 6.400 6.943 -2.723 1.00 55.32 C ATOM 1394 C LYS A 82 7.650 6.695 -1.883 1.00 23.24 C ATOM 1395 O LYS A 82 8.193 7.624 -1.260 1.00 60.44 O ATOM 1396 CB LYS A 82 6.704 8.008 -3.805 1.00 70.44 C ATOM 1397 CG LYS A 82 7.843 7.582 -4.777 1.00 2.00 C ATOM 1398 CD LYS A 82 8.367 8.745 -5.646 1.00 63.23 C ATOM 1399 CE LYS A 82 9.003 9.866 -4.807 1.00 1.00 C ATOM 1400 NZ LYS A 82 9.462 10.997 -5.648 1.00 12.43 N ATOM 0 H LYS A 82 5.192 8.354 -1.750 1.00 4.00 H new ATOM 0 HA LYS A 82 6.097 6.033 -3.241 1.00 55.32 H new ATOM 0 HB2 LYS A 82 5.798 8.203 -4.379 1.00 70.44 H new ATOM 0 HB3 LYS A 82 6.980 8.943 -3.318 1.00 70.44 H new ATOM 0 HG2 LYS A 82 8.669 7.168 -4.199 1.00 2.00 H new ATOM 0 HG3 LYS A 82 7.479 6.787 -5.427 1.00 2.00 H new ATOM 0 HD2 LYS A 82 9.103 8.363 -6.354 1.00 63.23 H new ATOM 0 HD3 LYS A 82 7.545 9.156 -6.232 1.00 63.23 H new ATOM 0 HE2 LYS A 82 8.279 10.228 -4.077 1.00 1.00 H new ATOM 0 HE3 LYS A 82 9.847 9.465 -4.247 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 9.884 11.730 -5.043 1.00 12.43 H new ATOM 0 HZ2 LYS A 82 10.172 10.658 -6.328 1.00 12.43 H new ATOM 0 HZ3 LYS A 82 8.652 11.397 -6.164 1.00 12.43 H new ATOM 1414 N VAL A 83 8.073 5.437 -1.845 1.00 33.11 N ATOM 1415 CA VAL A 83 9.288 5.009 -1.162 1.00 52.20 C ATOM 1416 C VAL A 83 10.374 4.680 -2.210 1.00 32.44 C ATOM 1417 O VAL A 83 10.104 4.039 -3.229 1.00 31.45 O ATOM 1418 CB VAL A 83 8.968 3.786 -0.222 1.00 15.44 C ATOM 1419 CG1 VAL A 83 7.833 4.178 0.763 1.00 45.20 C ATOM 1420 CG2 VAL A 83 8.596 2.502 -1.014 1.00 32.43 C ATOM 0 H VAL A 83 7.572 4.672 -2.296 1.00 33.11 H new ATOM 0 HA VAL A 83 9.671 5.809 -0.529 1.00 52.20 H new ATOM 0 HB VAL A 83 9.874 3.547 0.335 1.00 15.44 H new ATOM 0 HG11 VAL A 83 7.609 3.334 1.415 1.00 45.20 H new ATOM 0 HG12 VAL A 83 8.152 5.028 1.366 1.00 45.20 H new ATOM 0 HG13 VAL A 83 6.940 4.448 0.200 1.00 45.20 H new ATOM 0 HG21 VAL A 83 8.386 1.692 -0.316 1.00 32.43 H new ATOM 0 HG22 VAL A 83 7.713 2.694 -1.624 1.00 32.43 H new ATOM 0 HG23 VAL A 83 9.428 2.218 -1.659 1.00 32.43 H new ATOM 1430 N THR A 84 11.584 5.182 -1.967 1.00 11.34 N ATOM 1431 CA THR A 84 12.773 4.881 -2.787 1.00 43.20 C ATOM 1432 C THR A 84 13.715 3.941 -2.024 1.00 23.04 C ATOM 1433 O THR A 84 14.626 3.352 -2.612 1.00 52.23 O ATOM 1434 CB THR A 84 13.517 6.200 -3.213 1.00 1.53 C ATOM 1435 OG1 THR A 84 13.643 7.086 -2.085 1.00 60.44 O ATOM 1436 CG2 THR A 84 12.787 6.935 -4.358 1.00 33.34 C ATOM 0 H THR A 84 11.776 5.815 -1.191 1.00 11.34 H new ATOM 0 HA THR A 84 12.446 4.381 -3.698 1.00 43.20 H new ATOM 0 HB THR A 84 14.504 5.909 -3.573 1.00 1.53 H new ATOM 0 HG1 THR A 84 14.109 7.903 -2.361 1.00 60.44 H new ATOM 0 HG21 THR A 84 13.337 7.839 -4.619 1.00 33.34 H new ATOM 0 HG22 THR A 84 12.727 6.283 -5.229 1.00 33.34 H new ATOM 0 HG23 THR A 84 11.781 7.202 -4.035 1.00 33.34 H new ATOM 1444 N SER A 85 13.457 3.788 -0.714 1.00 14.44 N ATOM 1445 CA SER A 85 14.240 2.933 0.183 1.00 31.30 C ATOM 1446 C SER A 85 13.264 2.064 1.023 1.00 1.41 C ATOM 1447 O SER A 85 12.158 2.529 1.336 1.00 43.24 O ATOM 1448 CB SER A 85 15.110 3.834 1.089 1.00 4.23 C ATOM 1449 OG SER A 85 15.913 4.726 0.326 1.00 12.12 O ATOM 0 H SER A 85 12.686 4.264 -0.245 1.00 14.44 H new ATOM 0 HA SER A 85 14.896 2.269 -0.380 1.00 31.30 H new ATOM 0 HB2 SER A 85 14.468 4.405 1.759 1.00 4.23 H new ATOM 0 HB3 SER A 85 15.750 3.212 1.714 1.00 4.23 H new ATOM 0 HG SER A 85 16.449 5.282 0.930 1.00 12.12 H new ATOM 1455 N PRO A 86 13.641 0.786 1.389 1.00 64.43 N ATOM 1456 CA PRO A 86 12.765 -0.138 2.164 1.00 10.13 C ATOM 1457 C PRO A 86 12.383 0.395 3.559 1.00 33.15 C ATOM 1458 O PRO A 86 11.256 0.173 4.003 1.00 31.43 O ATOM 1459 CB PRO A 86 13.600 -1.451 2.248 1.00 22.51 C ATOM 1460 CG PRO A 86 15.016 -1.020 2.013 1.00 10.11 C ATOM 1461 CD PRO A 86 14.923 0.120 1.028 1.00 60.03 C ATOM 0 HA PRO A 86 11.798 -0.274 1.679 1.00 10.13 H new ATOM 0 HB2 PRO A 86 13.488 -1.929 3.221 1.00 22.51 H new ATOM 0 HB3 PRO A 86 13.277 -2.174 1.499 1.00 22.51 H new ATOM 0 HG2 PRO A 86 15.490 -0.701 2.941 1.00 10.11 H new ATOM 0 HG3 PRO A 86 15.616 -1.838 1.614 1.00 10.11 H new ATOM 0 HD2 PRO A 86 15.769 0.801 1.121 1.00 60.03 H new ATOM 0 HD3 PRO A 86 14.913 -0.238 -0.001 1.00 60.03 H new ATOM 1469 N ASP A 87 13.303 1.140 4.215 1.00 24.04 N ATOM 1470 CA ASP A 87 13.060 1.699 5.572 1.00 24.14 C ATOM 1471 C ASP A 87 11.988 2.799 5.546 1.00 1.21 C ATOM 1472 O ASP A 87 11.328 3.034 6.561 1.00 13.15 O ATOM 1473 CB ASP A 87 14.366 2.223 6.239 1.00 50.12 C ATOM 1474 CG ASP A 87 15.308 1.095 6.707 1.00 70.41 C ATOM 1475 OD1 ASP A 87 14.906 0.312 7.597 1.00 31.13 O ATOM 1476 OD2 ASP A 87 16.441 0.979 6.183 1.00 45.21 O ATOM 0 H ASP A 87 14.219 1.369 3.830 1.00 24.04 H new ATOM 0 HA ASP A 87 12.690 0.875 6.182 1.00 24.14 H new ATOM 0 HB2 ASP A 87 14.897 2.860 5.531 1.00 50.12 H new ATOM 0 HB3 ASP A 87 14.104 2.846 7.094 1.00 50.12 H new ATOM 1481 N GLU A 88 11.820 3.455 4.379 1.00 0.43 N ATOM 1482 CA GLU A 88 10.728 4.423 4.160 1.00 11.02 C ATOM 1483 C GLU A 88 9.375 3.700 4.220 1.00 33.15 C ATOM 1484 O GLU A 88 8.473 4.127 4.937 1.00 1.22 O ATOM 1485 CB GLU A 88 10.882 5.151 2.796 1.00 40.34 C ATOM 1486 CG GLU A 88 12.229 5.862 2.593 1.00 31.13 C ATOM 1487 CD GLU A 88 12.558 6.900 3.681 1.00 22.21 C ATOM 1488 OE1 GLU A 88 11.925 7.975 3.698 1.00 2.44 O ATOM 1489 OE2 GLU A 88 13.445 6.639 4.526 1.00 61.43 O ATOM 0 H GLU A 88 12.430 3.330 3.571 1.00 0.43 H new ATOM 0 HA GLU A 88 10.776 5.175 4.948 1.00 11.02 H new ATOM 0 HB2 GLU A 88 10.747 4.424 1.995 1.00 40.34 H new ATOM 0 HB3 GLU A 88 10.082 5.885 2.699 1.00 40.34 H new ATOM 0 HG2 GLU A 88 13.022 5.115 2.566 1.00 31.13 H new ATOM 0 HG3 GLU A 88 12.224 6.357 1.622 1.00 31.13 H new ATOM 1496 N ALA A 89 9.290 2.556 3.503 1.00 42.11 N ATOM 1497 CA ALA A 89 8.075 1.721 3.453 1.00 10.34 C ATOM 1498 C ALA A 89 7.701 1.227 4.854 1.00 23.22 C ATOM 1499 O ALA A 89 6.556 1.381 5.286 1.00 53.34 O ATOM 1500 CB ALA A 89 8.276 0.539 2.491 1.00 15.04 C ATOM 0 H ALA A 89 10.061 2.189 2.945 1.00 42.11 H new ATOM 0 HA ALA A 89 7.252 2.330 3.079 1.00 10.34 H new ATOM 0 HB1 ALA A 89 7.371 -0.067 2.465 1.00 15.04 H new ATOM 0 HB2 ALA A 89 8.489 0.916 1.491 1.00 15.04 H new ATOM 0 HB3 ALA A 89 9.112 -0.071 2.834 1.00 15.04 H new ATOM 1506 N LYS A 90 8.717 0.697 5.564 1.00 45.31 N ATOM 1507 CA LYS A 90 8.604 0.203 6.947 1.00 74.14 C ATOM 1508 C LYS A 90 8.078 1.294 7.906 1.00 32.40 C ATOM 1509 O LYS A 90 7.236 1.016 8.777 1.00 24.12 O ATOM 1510 CB LYS A 90 10.001 -0.286 7.418 1.00 15.34 C ATOM 1511 CG LYS A 90 10.574 -1.483 6.611 1.00 1.31 C ATOM 1512 CD LYS A 90 12.060 -1.787 6.951 1.00 42.24 C ATOM 1513 CE LYS A 90 12.307 -2.059 8.448 1.00 2.21 C ATOM 1514 NZ LYS A 90 13.750 -2.243 8.753 1.00 61.43 N ATOM 0 H LYS A 90 9.658 0.599 5.182 1.00 45.31 H new ATOM 0 HA LYS A 90 7.886 -0.617 6.964 1.00 74.14 H new ATOM 0 HB2 LYS A 90 10.702 0.546 7.356 1.00 15.34 H new ATOM 0 HB3 LYS A 90 9.937 -0.571 8.468 1.00 15.34 H new ATOM 0 HG2 LYS A 90 9.972 -2.370 6.810 1.00 1.31 H new ATOM 0 HG3 LYS A 90 10.487 -1.271 5.545 1.00 1.31 H new ATOM 0 HD2 LYS A 90 12.386 -2.652 6.374 1.00 42.24 H new ATOM 0 HD3 LYS A 90 12.676 -0.944 6.637 1.00 42.24 H new ATOM 0 HE2 LYS A 90 11.916 -1.229 9.036 1.00 2.21 H new ATOM 0 HE3 LYS A 90 11.757 -2.950 8.750 1.00 2.21 H new ATOM 0 HZ1 LYS A 90 13.878 -2.339 9.781 1.00 61.43 H new ATOM 0 HZ2 LYS A 90 14.098 -3.101 8.279 1.00 61.43 H new ATOM 0 HZ3 LYS A 90 14.285 -1.418 8.413 1.00 61.43 H new ATOM 1528 N ARG A 91 8.599 2.528 7.723 1.00 33.32 N ATOM 1529 CA ARG A 91 8.218 3.707 8.521 1.00 25.22 C ATOM 1530 C ARG A 91 6.712 3.968 8.442 1.00 11.42 C ATOM 1531 O ARG A 91 6.036 4.008 9.476 1.00 64.34 O ATOM 1532 CB ARG A 91 8.994 4.963 8.020 1.00 31.12 C ATOM 1533 CG ARG A 91 8.620 6.279 8.738 1.00 2.12 C ATOM 1534 CD ARG A 91 9.273 7.527 8.114 1.00 43.13 C ATOM 1535 NE ARG A 91 8.768 8.758 8.752 1.00 45.34 N ATOM 1536 CZ ARG A 91 8.827 10.000 8.247 1.00 45.12 C ATOM 1537 NH1 ARG A 91 9.374 10.243 7.059 1.00 42.43 N ATOM 1538 NH2 ARG A 91 8.316 11.004 8.947 1.00 1.51 N ATOM 0 H ARG A 91 9.301 2.731 7.011 1.00 33.32 H new ATOM 0 HA ARG A 91 8.477 3.507 9.561 1.00 25.22 H new ATOM 0 HB2 ARG A 91 10.062 4.787 8.145 1.00 31.12 H new ATOM 0 HB3 ARG A 91 8.813 5.083 6.952 1.00 31.12 H new ATOM 0 HG2 ARG A 91 7.537 6.398 8.720 1.00 2.12 H new ATOM 0 HG3 ARG A 91 8.916 6.209 9.785 1.00 2.12 H new ATOM 0 HD2 ARG A 91 10.356 7.471 8.227 1.00 43.13 H new ATOM 0 HD3 ARG A 91 9.065 7.555 7.044 1.00 43.13 H new ATOM 0 HE ARG A 91 8.331 8.655 9.668 1.00 45.34 H new ATOM 0 HH11 ARG A 91 9.761 9.476 6.509 1.00 42.43 H new ATOM 0 HH12 ARG A 91 9.406 11.196 6.698 1.00 42.43 H new ATOM 0 HH21 ARG A 91 7.886 10.826 9.855 1.00 1.51 H new ATOM 0 HH22 ARG A 91 8.353 11.954 8.578 1.00 1.51 H new ATOM 1552 N TRP A 92 6.192 4.094 7.202 1.00 10.21 N ATOM 1553 CA TRP A 92 4.771 4.388 6.959 1.00 44.24 C ATOM 1554 C TRP A 92 3.842 3.272 7.452 1.00 31.41 C ATOM 1555 O TRP A 92 2.701 3.550 7.811 1.00 2.43 O ATOM 1556 CB TRP A 92 4.519 4.665 5.456 1.00 30.23 C ATOM 1557 CG TRP A 92 5.347 5.802 4.892 1.00 63.42 C ATOM 1558 CD1 TRP A 92 6.232 5.744 3.852 1.00 44.40 C ATOM 1559 CD2 TRP A 92 5.362 7.167 5.339 1.00 41.11 C ATOM 1560 NE1 TRP A 92 6.806 6.969 3.645 1.00 13.31 N ATOM 1561 CE2 TRP A 92 6.287 7.860 4.540 1.00 42.42 C ATOM 1562 CE3 TRP A 92 4.692 7.863 6.342 1.00 25.02 C ATOM 1563 CZ2 TRP A 92 6.554 9.215 4.709 1.00 62.40 C ATOM 1564 CZ3 TRP A 92 4.951 9.209 6.510 1.00 51.24 C ATOM 1565 CH2 TRP A 92 5.876 9.873 5.696 1.00 20.13 C ATOM 0 H TRP A 92 6.744 3.995 6.350 1.00 10.21 H new ATOM 0 HA TRP A 92 4.535 5.282 7.536 1.00 44.24 H new ATOM 0 HB2 TRP A 92 4.731 3.758 4.889 1.00 30.23 H new ATOM 0 HB3 TRP A 92 3.463 4.891 5.311 1.00 30.23 H new ATOM 0 HD1 TRP A 92 6.448 4.857 3.275 1.00 44.40 H new ATOM 0 HE1 TRP A 92 7.508 7.182 2.936 1.00 13.31 H new ATOM 0 HE3 TRP A 92 3.981 7.358 6.979 1.00 25.02 H new ATOM 0 HZ2 TRP A 92 7.270 9.727 4.084 1.00 62.40 H new ATOM 0 HZ3 TRP A 92 4.432 9.758 7.282 1.00 51.24 H new ATOM 0 HH2 TRP A 92 6.057 10.926 5.851 1.00 20.13 H new ATOM 1576 N ILE A 93 4.344 2.020 7.472 1.00 72.32 N ATOM 1577 CA ILE A 93 3.589 0.843 7.949 1.00 63.40 C ATOM 1578 C ILE A 93 3.350 0.941 9.462 1.00 54.25 C ATOM 1579 O ILE A 93 2.218 0.747 9.939 1.00 74.12 O ATOM 1580 CB ILE A 93 4.338 -0.492 7.568 1.00 21.44 C ATOM 1581 CG1 ILE A 93 4.294 -0.701 6.017 1.00 33.30 C ATOM 1582 CG2 ILE A 93 3.770 -1.724 8.318 1.00 33.20 C ATOM 1583 CD1 ILE A 93 5.121 -1.859 5.508 1.00 32.25 C ATOM 0 H ILE A 93 5.288 1.796 7.157 1.00 72.32 H new ATOM 0 HA ILE A 93 2.617 0.826 7.456 1.00 63.40 H new ATOM 0 HB ILE A 93 5.376 -0.394 7.885 1.00 21.44 H new ATOM 0 HG12 ILE A 93 3.258 -0.853 5.715 1.00 33.30 H new ATOM 0 HG13 ILE A 93 4.637 0.213 5.532 1.00 33.30 H new ATOM 0 HG21 ILE A 93 4.320 -2.617 8.020 1.00 33.20 H new ATOM 0 HG22 ILE A 93 3.874 -1.575 9.393 1.00 33.20 H new ATOM 0 HG23 ILE A 93 2.716 -1.847 8.069 1.00 33.20 H new ATOM 0 HD11 ILE A 93 5.028 -1.924 4.424 1.00 32.25 H new ATOM 0 HD12 ILE A 93 6.167 -1.704 5.773 1.00 32.25 H new ATOM 0 HD13 ILE A 93 4.766 -2.786 5.959 1.00 32.25 H new ATOM 1595 N LYS A 94 4.422 1.280 10.206 1.00 40.51 N ATOM 1596 CA LYS A 94 4.347 1.494 11.655 1.00 44.45 C ATOM 1597 C LYS A 94 3.405 2.672 11.964 1.00 23.30 C ATOM 1598 O LYS A 94 2.537 2.563 12.831 1.00 71.00 O ATOM 1599 CB LYS A 94 5.750 1.782 12.242 1.00 20.02 C ATOM 1600 CG LYS A 94 5.779 1.876 13.793 1.00 60.03 C ATOM 1601 CD LYS A 94 7.037 2.595 14.346 1.00 1.25 C ATOM 1602 CE LYS A 94 7.103 4.080 13.925 1.00 34.11 C ATOM 1603 NZ LYS A 94 8.194 4.814 14.624 1.00 11.40 N ATOM 0 H LYS A 94 5.356 1.411 9.817 1.00 40.51 H new ATOM 0 HA LYS A 94 3.957 0.586 12.115 1.00 44.45 H new ATOM 0 HB2 LYS A 94 6.434 0.996 11.923 1.00 20.02 H new ATOM 0 HB3 LYS A 94 6.122 2.718 11.824 1.00 20.02 H new ATOM 0 HG2 LYS A 94 4.889 2.405 14.134 1.00 60.03 H new ATOM 0 HG3 LYS A 94 5.732 0.870 14.211 1.00 60.03 H new ATOM 0 HD2 LYS A 94 7.041 2.529 15.434 1.00 1.25 H new ATOM 0 HD3 LYS A 94 7.930 2.080 13.992 1.00 1.25 H new ATOM 0 HE2 LYS A 94 7.256 4.144 12.848 1.00 34.11 H new ATOM 0 HE3 LYS A 94 6.148 4.560 14.140 1.00 34.11 H new ATOM 0 HZ1 LYS A 94 8.201 5.806 14.311 1.00 11.40 H new ATOM 0 HZ2 LYS A 94 8.035 4.776 15.651 1.00 11.40 H new ATOM 0 HZ3 LYS A 94 9.109 4.373 14.399 1.00 11.40 H new ATOM 1617 N GLU A 95 3.560 3.773 11.192 1.00 4.43 N ATOM 1618 CA GLU A 95 2.799 5.024 11.396 1.00 35.22 C ATOM 1619 C GLU A 95 1.315 4.852 11.043 1.00 0.01 C ATOM 1620 O GLU A 95 0.464 5.512 11.627 1.00 75.31 O ATOM 1621 CB GLU A 95 3.417 6.189 10.586 1.00 43.32 C ATOM 1622 CG GLU A 95 4.800 6.650 11.108 1.00 51.13 C ATOM 1623 CD GLU A 95 5.347 7.931 10.446 1.00 55.12 C ATOM 1624 OE1 GLU A 95 4.579 8.660 9.776 1.00 24.04 O ATOM 1625 OE2 GLU A 95 6.545 8.223 10.625 1.00 64.02 O ATOM 0 H GLU A 95 4.216 3.817 10.412 1.00 4.43 H new ATOM 0 HA GLU A 95 2.862 5.268 12.456 1.00 35.22 H new ATOM 0 HB2 GLU A 95 3.516 5.882 9.545 1.00 43.32 H new ATOM 0 HB3 GLU A 95 2.731 7.036 10.605 1.00 43.32 H new ATOM 0 HG2 GLU A 95 4.730 6.815 12.183 1.00 51.13 H new ATOM 0 HG3 GLU A 95 5.518 5.844 10.955 1.00 51.13 H new ATOM 1632 N PHE A 96 1.036 3.943 10.104 1.00 23.33 N ATOM 1633 CA PHE A 96 -0.333 3.601 9.666 1.00 25.42 C ATOM 1634 C PHE A 96 -1.125 2.986 10.836 1.00 32.33 C ATOM 1635 O PHE A 96 -2.318 3.273 11.030 1.00 64.15 O ATOM 1636 CB PHE A 96 -0.228 2.615 8.475 1.00 12.14 C ATOM 1637 CG PHE A 96 -1.530 2.313 7.754 1.00 40.52 C ATOM 1638 CD1 PHE A 96 -2.209 3.317 7.060 1.00 22.41 C ATOM 1639 CD2 PHE A 96 -2.050 1.021 7.729 1.00 31.22 C ATOM 1640 CE1 PHE A 96 -3.363 3.025 6.367 1.00 12.12 C ATOM 1641 CE2 PHE A 96 -3.201 0.738 7.047 1.00 11.22 C ATOM 1642 CZ PHE A 96 -3.855 1.734 6.366 1.00 20.23 C ATOM 0 H PHE A 96 1.759 3.414 9.617 1.00 23.33 H new ATOM 0 HA PHE A 96 -0.868 4.496 9.346 1.00 25.42 H new ATOM 0 HB2 PHE A 96 0.480 3.021 7.753 1.00 12.14 H new ATOM 0 HB3 PHE A 96 0.190 1.677 8.840 1.00 12.14 H new ATOM 0 HD1 PHE A 96 -1.827 4.327 7.067 1.00 22.41 H new ATOM 0 HD2 PHE A 96 -1.536 0.231 8.256 1.00 31.22 H new ATOM 0 HE1 PHE A 96 -3.882 3.803 5.826 1.00 12.12 H new ATOM 0 HE2 PHE A 96 -3.595 -0.268 7.044 1.00 11.22 H new ATOM 0 HZ PHE A 96 -4.762 1.507 5.825 1.00 20.23 H new ATOM 1652 N SER A 97 -0.406 2.152 11.606 1.00 30.31 N ATOM 1653 CA SER A 97 -0.896 1.552 12.850 1.00 23.42 C ATOM 1654 C SER A 97 -0.994 2.624 13.969 1.00 31.52 C ATOM 1655 O SER A 97 -1.970 2.629 14.726 1.00 52.10 O ATOM 1656 CB SER A 97 0.041 0.386 13.249 1.00 43.41 C ATOM 1657 OG SER A 97 -0.336 -0.223 14.473 1.00 32.31 O ATOM 0 H SER A 97 0.548 1.874 11.374 1.00 30.31 H new ATOM 0 HA SER A 97 -1.900 1.155 12.702 1.00 23.42 H new ATOM 0 HB2 SER A 97 0.038 -0.364 12.458 1.00 43.41 H new ATOM 0 HB3 SER A 97 1.062 0.758 13.332 1.00 43.41 H new ATOM 0 HG SER A 97 0.284 -0.953 14.680 1.00 32.31 H new ATOM 1663 N GLU A 98 0.012 3.541 14.050 1.00 70.20 N ATOM 1664 CA GLU A 98 0.027 4.658 15.047 1.00 64.35 C ATOM 1665 C GLU A 98 -1.204 5.571 14.906 1.00 5.15 C ATOM 1666 O GLU A 98 -1.737 6.065 15.912 1.00 34.30 O ATOM 1667 CB GLU A 98 1.311 5.522 14.915 1.00 43.11 C ATOM 1668 CG GLU A 98 2.630 4.773 15.170 1.00 14.43 C ATOM 1669 CD GLU A 98 2.708 4.119 16.557 1.00 43.32 C ATOM 1670 OE1 GLU A 98 2.994 4.832 17.543 1.00 45.01 O ATOM 1671 OE2 GLU A 98 2.487 2.888 16.670 1.00 14.03 O ATOM 0 H GLU A 98 0.826 3.530 13.436 1.00 70.20 H new ATOM 0 HA GLU A 98 0.007 4.187 16.030 1.00 64.35 H new ATOM 0 HB2 GLU A 98 1.342 5.949 13.913 1.00 43.11 H new ATOM 0 HB3 GLU A 98 1.243 6.355 15.614 1.00 43.11 H new ATOM 0 HG2 GLU A 98 2.755 4.004 14.408 1.00 14.43 H new ATOM 0 HG3 GLU A 98 3.461 5.470 15.059 1.00 14.43 H new ATOM 1678 N GLU A 99 -1.622 5.788 13.650 1.00 30.44 N ATOM 1679 CA GLU A 99 -2.838 6.541 13.315 1.00 25.55 C ATOM 1680 C GLU A 99 -4.074 5.753 13.767 1.00 23.13 C ATOM 1681 O GLU A 99 -4.995 6.312 14.364 1.00 63.14 O ATOM 1682 CB GLU A 99 -2.936 6.783 11.785 1.00 40.02 C ATOM 1683 CG GLU A 99 -1.826 7.645 11.164 1.00 31.11 C ATOM 1684 CD GLU A 99 -2.025 7.831 9.651 1.00 45.11 C ATOM 1685 OE1 GLU A 99 -1.921 6.831 8.898 1.00 2.05 O ATOM 1686 OE2 GLU A 99 -2.356 8.949 9.213 1.00 3.54 O ATOM 0 H GLU A 99 -1.121 5.442 12.832 1.00 30.44 H new ATOM 0 HA GLU A 99 -2.793 7.502 13.826 1.00 25.55 H new ATOM 0 HB2 GLU A 99 -2.939 5.815 11.284 1.00 40.02 H new ATOM 0 HB3 GLU A 99 -3.896 7.255 11.573 1.00 40.02 H new ATOM 0 HG2 GLU A 99 -1.808 8.620 11.651 1.00 31.11 H new ATOM 0 HG3 GLU A 99 -0.858 7.179 11.349 1.00 31.11 H new ATOM 1693 N GLY A 100 -4.052 4.438 13.469 1.00 12.25 N ATOM 1694 CA GLY A 100 -5.208 3.571 13.647 1.00 64.32 C ATOM 1695 C GLY A 100 -6.320 3.961 12.680 1.00 71.22 C ATOM 1696 O GLY A 100 -6.237 3.643 11.493 1.00 12.05 O ATOM 0 H GLY A 100 -3.230 3.960 13.100 1.00 12.25 H new ATOM 0 HA2 GLY A 100 -4.921 2.533 13.481 1.00 64.32 H new ATOM 0 HA3 GLY A 100 -5.569 3.642 14.673 1.00 64.32 H new ATOM 1700 N GLY A 101 -7.316 4.719 13.179 1.00 50.42 N ATOM 1701 CA GLY A 101 -8.430 5.209 12.358 1.00 10.25 C ATOM 1702 C GLY A 101 -8.213 6.622 11.854 1.00 41.32 C ATOM 1703 O GLY A 101 -7.475 7.406 12.472 1.00 22.12 O ATOM 0 H GLY A 101 -7.367 5.005 14.157 1.00 50.42 H new ATOM 0 HA2 GLY A 101 -8.569 4.542 11.507 1.00 10.25 H new ATOM 0 HA3 GLY A 101 -9.349 5.174 12.943 1.00 10.25 H new ATOM 1707 N SER A 102 -8.849 6.949 10.714 1.00 60.44 N ATOM 1708 CA SER A 102 -8.833 8.307 10.139 1.00 44.44 C ATOM 1709 C SER A 102 -9.988 9.149 10.721 1.00 14.21 C ATOM 1710 O SER A 102 -10.917 9.567 10.017 1.00 53.31 O ATOM 1711 CB SER A 102 -8.848 8.234 8.587 1.00 12.42 C ATOM 1712 OG SER A 102 -9.813 7.312 8.106 1.00 22.24 O ATOM 0 H SER A 102 -9.388 6.279 10.165 1.00 60.44 H new ATOM 0 HA SER A 102 -7.909 8.814 10.418 1.00 44.44 H new ATOM 0 HB2 SER A 102 -9.058 9.223 8.180 1.00 12.42 H new ATOM 0 HB3 SER A 102 -7.860 7.945 8.228 1.00 12.42 H new ATOM 0 HG SER A 102 -10.022 7.516 7.171 1.00 22.24 H new ATOM 1718 N LEU A 103 -9.870 9.407 12.046 1.00 45.41 N ATOM 1719 CA LEU A 103 -10.850 10.190 12.836 1.00 73.51 C ATOM 1720 C LEU A 103 -10.747 11.699 12.548 1.00 24.14 C ATOM 1721 O LEU A 103 -11.564 12.474 13.046 1.00 65.11 O ATOM 1722 CB LEU A 103 -10.665 9.920 14.357 1.00 51.35 C ATOM 1723 CG LEU A 103 -10.860 8.439 14.831 1.00 32.13 C ATOM 1724 CD1 LEU A 103 -10.696 8.318 16.368 1.00 74.42 C ATOM 1725 CD2 LEU A 103 -12.219 7.857 14.363 1.00 34.00 C ATOM 0 H LEU A 103 -9.083 9.073 12.602 1.00 45.41 H new ATOM 0 HA LEU A 103 -11.845 9.863 12.533 1.00 73.51 H new ATOM 0 HB2 LEU A 103 -9.663 10.240 14.641 1.00 51.35 H new ATOM 0 HB3 LEU A 103 -11.368 10.549 14.904 1.00 51.35 H new ATOM 0 HG LEU A 103 -10.077 7.843 14.362 1.00 32.13 H new ATOM 0 HD11 LEU A 103 -10.837 7.280 16.668 1.00 74.42 H new ATOM 0 HD12 LEU A 103 -9.697 8.646 16.654 1.00 74.42 H new ATOM 0 HD13 LEU A 103 -11.439 8.943 16.864 1.00 74.42 H new ATOM 0 HD21 LEU A 103 -12.314 6.829 14.712 1.00 34.00 H new ATOM 0 HD22 LEU A 103 -13.032 8.456 14.773 1.00 34.00 H new ATOM 0 HD23 LEU A 103 -12.267 7.876 13.274 1.00 34.00 H new ATOM 1737 N GLU A 104 -9.714 12.086 11.768 1.00 25.11 N ATOM 1738 CA GLU A 104 -9.578 13.430 11.144 1.00 25.35 C ATOM 1739 C GLU A 104 -10.857 13.792 10.356 1.00 53.34 C ATOM 1740 O GLU A 104 -11.246 14.958 10.261 1.00 63.33 O ATOM 1741 CB GLU A 104 -8.344 13.445 10.197 1.00 41.52 C ATOM 1742 CG GLU A 104 -8.365 12.303 9.159 1.00 5.33 C ATOM 1743 CD GLU A 104 -7.400 12.466 7.986 1.00 12.31 C ATOM 1744 OE1 GLU A 104 -7.239 13.609 7.499 1.00 34.13 O ATOM 1745 OE2 GLU A 104 -6.859 11.452 7.508 1.00 51.50 O ATOM 0 H GLU A 104 -8.935 11.466 11.548 1.00 25.11 H new ATOM 0 HA GLU A 104 -9.437 14.171 11.930 1.00 25.35 H new ATOM 0 HB2 GLU A 104 -8.305 14.401 9.676 1.00 41.52 H new ATOM 0 HB3 GLU A 104 -7.435 13.370 10.793 1.00 41.52 H new ATOM 0 HG2 GLU A 104 -8.136 11.367 9.669 1.00 5.33 H new ATOM 0 HG3 GLU A 104 -9.377 12.212 8.765 1.00 5.33 H new ATOM 1752 N HIS A 105 -11.472 12.749 9.764 1.00 10.03 N ATOM 1753 CA HIS A 105 -12.819 12.800 9.193 1.00 73.13 C ATOM 1754 C HIS A 105 -13.645 11.668 9.828 1.00 51.33 C ATOM 1755 O HIS A 105 -13.873 10.619 9.219 1.00 62.35 O ATOM 1756 CB HIS A 105 -12.793 12.730 7.627 1.00 73.03 C ATOM 1757 CG HIS A 105 -12.017 11.572 7.042 1.00 45.55 C ATOM 1758 ND1 HIS A 105 -12.565 10.329 6.806 1.00 50.50 N ATOM 1759 CD2 HIS A 105 -10.727 11.472 6.651 1.00 41.22 C ATOM 1760 CE1 HIS A 105 -11.648 9.532 6.303 1.00 41.34 C ATOM 1761 NE2 HIS A 105 -10.528 10.203 6.203 1.00 21.33 N ATOM 0 H HIS A 105 -11.032 11.833 9.671 1.00 10.03 H new ATOM 0 HA HIS A 105 -13.288 13.757 9.423 1.00 73.13 H new ATOM 0 HB2 HIS A 105 -13.820 12.676 7.266 1.00 73.03 H new ATOM 0 HB3 HIS A 105 -12.369 13.659 7.246 1.00 73.03 H new ATOM 0 HD2 HIS A 105 -9.987 12.258 6.688 1.00 41.22 H new ATOM 0 HE1 HIS A 105 -11.794 8.500 6.020 1.00 41.34 H new ATOM 0 HE2 HIS A 105 -9.647 9.833 5.846 1.00 21.33 H new ATOM 1770 N HIS A 106 -14.009 11.855 11.114 1.00 34.41 N ATOM 1771 CA HIS A 106 -14.929 10.943 11.817 1.00 32.54 C ATOM 1772 C HIS A 106 -16.280 11.008 11.091 1.00 14.14 C ATOM 1773 O HIS A 106 -17.053 11.960 11.295 1.00 62.33 O ATOM 1774 CB HIS A 106 -15.072 11.351 13.303 1.00 73.51 C ATOM 1775 CG HIS A 106 -15.989 10.457 14.104 1.00 20.22 C ATOM 1776 ND1 HIS A 106 -15.746 9.306 14.776 1.00 4.40 N flip ATOM 1777 CD2 HIS A 106 -17.340 10.701 14.265 1.00 60.45 C flip ATOM 1778 CE1 HIS A 106 -16.936 8.886 15.312 1.00 55.34 C flip ATOM 1779 NE2 HIS A 106 -17.878 9.743 14.990 1.00 71.11 N flip ATOM 0 H HIS A 106 -13.678 12.632 11.686 1.00 34.41 H new ATOM 0 HA HIS A 106 -14.545 9.923 11.806 1.00 32.54 H new ATOM 0 HB2 HIS A 106 -14.085 11.348 13.766 1.00 73.51 H new ATOM 0 HB3 HIS A 106 -15.445 12.374 13.353 1.00 73.51 H new ATOM 0 HD2 HIS A 106 -17.873 11.548 13.858 1.00 60.45 H new ATOM 0 HE1 HIS A 106 -17.076 7.994 15.904 1.00 55.34 H new ATOM 0 HE2 HIS A 106 -18.860 9.677 15.257 1.00 71.11 H new ATOM 1788 N HIS A 107 -16.519 10.015 10.208 1.00 12.43 N ATOM 1789 CA HIS A 107 -17.562 10.088 9.184 1.00 41.10 C ATOM 1790 C HIS A 107 -18.964 10.027 9.806 1.00 20.44 C ATOM 1791 O HIS A 107 -19.504 8.945 10.073 1.00 64.32 O ATOM 1792 CB HIS A 107 -17.378 8.981 8.093 1.00 73.23 C ATOM 1793 CG HIS A 107 -17.902 9.377 6.725 1.00 14.14 C ATOM 1794 ND1 HIS A 107 -17.076 9.552 5.636 1.00 53.40 N ATOM 1795 CD2 HIS A 107 -19.154 9.673 6.282 1.00 51.13 C ATOM 1796 CE1 HIS A 107 -17.787 9.946 4.597 1.00 12.01 C ATOM 1797 NE2 HIS A 107 -19.048 10.019 4.959 1.00 50.14 N ATOM 0 H HIS A 107 -15.989 9.143 10.192 1.00 12.43 H new ATOM 0 HA HIS A 107 -17.461 11.054 8.690 1.00 41.10 H new ATOM 0 HB2 HIS A 107 -16.319 8.738 8.010 1.00 73.23 H new ATOM 0 HB3 HIS A 107 -17.888 8.074 8.419 1.00 73.23 H new ATOM 0 HD2 HIS A 107 -20.063 9.641 6.864 1.00 51.13 H new ATOM 0 HE1 HIS A 107 -17.398 10.171 3.615 1.00 12.01 H new ATOM 0 HE2 HIS A 107 -19.823 10.289 4.354 1.00 50.14 H new ATOM 1806 N HIS A 108 -19.503 11.219 10.087 1.00 14.31 N ATOM 1807 CA HIS A 108 -20.932 11.421 10.343 1.00 42.34 C ATOM 1808 C HIS A 108 -21.630 11.314 8.971 1.00 22.12 C ATOM 1809 O HIS A 108 -21.013 11.668 7.953 1.00 52.41 O ATOM 1810 CB HIS A 108 -21.150 12.811 11.012 1.00 74.30 C ATOM 1811 CG HIS A 108 -22.451 12.975 11.746 1.00 33.32 C ATOM 1812 ND1 HIS A 108 -23.484 13.772 11.302 1.00 11.44 N ATOM 1813 CD2 HIS A 108 -22.857 12.471 12.932 1.00 64.35 C ATOM 1814 CE1 HIS A 108 -24.467 13.745 12.179 1.00 13.41 C ATOM 1815 NE2 HIS A 108 -24.107 12.965 13.178 1.00 40.54 N ATOM 0 H HIS A 108 -18.954 12.077 10.143 1.00 14.31 H new ATOM 0 HA HIS A 108 -21.345 10.681 11.028 1.00 42.34 H new ATOM 0 HB2 HIS A 108 -20.333 12.992 11.710 1.00 74.30 H new ATOM 0 HB3 HIS A 108 -21.087 13.580 10.242 1.00 74.30 H new ATOM 0 HD2 HIS A 108 -22.297 11.801 13.568 1.00 64.35 H new ATOM 0 HE1 HIS A 108 -25.406 14.272 12.094 1.00 13.41 H new ATOM 0 HE2 HIS A 108 -24.671 12.762 14.003 1.00 40.54 H new ATOM 1824 N HIS A 109 -22.880 10.824 8.938 1.00 30.51 N ATOM 1825 CA HIS A 109 -23.555 10.430 7.677 1.00 1.02 C ATOM 1826 C HIS A 109 -23.803 11.650 6.738 1.00 35.45 C ATOM 1827 O HIS A 109 -24.848 12.300 6.796 1.00 54.01 O ATOM 1828 CB HIS A 109 -24.875 9.658 7.984 1.00 22.10 C ATOM 1829 CG HIS A 109 -25.499 8.978 6.788 1.00 42.42 C ATOM 1830 ND1 HIS A 109 -26.839 9.075 6.476 1.00 45.14 N ATOM 1831 CD2 HIS A 109 -24.961 8.156 5.853 1.00 52.34 C ATOM 1832 CE1 HIS A 109 -27.093 8.352 5.402 1.00 30.43 C ATOM 1833 NE2 HIS A 109 -25.972 7.789 5.008 1.00 21.45 N ATOM 0 H HIS A 109 -23.452 10.688 9.772 1.00 30.51 H new ATOM 0 HA HIS A 109 -22.887 9.759 7.137 1.00 1.02 H new ATOM 0 HB2 HIS A 109 -24.672 8.907 8.747 1.00 22.10 H new ATOM 0 HB3 HIS A 109 -25.598 10.355 8.407 1.00 22.10 H new ATOM 0 HD2 HIS A 109 -23.928 7.849 5.788 1.00 52.34 H new ATOM 0 HE1 HIS A 109 -28.057 8.241 4.928 1.00 30.43 H new ATOM 0 HE2 HIS A 109 -25.872 7.175 4.200 1.00 21.45 H new ATOM 1842 N HIS A 110 -22.780 11.953 5.916 1.00 43.44 N ATOM 1843 CA HIS A 110 -22.831 12.967 4.842 1.00 21.53 C ATOM 1844 C HIS A 110 -21.702 12.665 3.822 1.00 62.15 C ATOM 1845 O HIS A 110 -20.522 12.528 4.237 1.00 40.04 O ATOM 1846 CB HIS A 110 -22.750 14.434 5.383 1.00 21.32 C ATOM 1847 CG HIS A 110 -21.500 14.773 6.165 1.00 35.11 C ATOM 1848 ND1 HIS A 110 -20.371 15.321 5.591 1.00 32.13 N ATOM 1849 CD2 HIS A 110 -21.216 14.668 7.482 1.00 72.10 C ATOM 1850 CE1 HIS A 110 -19.458 15.526 6.516 1.00 72.43 C ATOM 1851 NE2 HIS A 110 -19.946 15.150 7.674 1.00 42.12 N ATOM 1852 OXT HIS A 110 -21.999 12.532 2.619 1.00 37.78 O ATOM 0 H HIS A 110 -21.874 11.490 5.981 1.00 43.44 H new ATOM 0 HA HIS A 110 -23.800 12.900 4.348 1.00 21.53 H new ATOM 0 HB2 HIS A 110 -22.826 15.119 4.538 1.00 21.32 H new ATOM 0 HB3 HIS A 110 -23.616 14.616 6.019 1.00 21.32 H new ATOM 0 HD2 HIS A 110 -21.871 14.275 8.246 1.00 72.10 H new ATOM 0 HE1 HIS A 110 -18.472 15.935 6.350 1.00 72.43 H new ATOM 0 HE2 HIS A 110 -19.461 15.207 8.570 1.00 42.12 H new TER 1861 HIS A 110