USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 861 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 84 THR OG1 : rot 180:sc= -0.0265 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 60 ASN : amide:sc= 0.464 X(o=0.46,f=-0.0058) USER MOD Single : A 1 MET CE :methyl -165:sc= 0 (180deg=-0.161) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0174 (180deg=0) USER MOD Single : A 4 TYR OH : rot -131:sc= 0.263 USER MOD Single : A 9 SER OG : rot -160:sc= -0.0238 USER MOD Single : A 10 ASN : amide:sc=-0.00182 K(o=-0.0018,f=-0.81) USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0204) USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= -0.0202 (180deg=-0.207) USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.14) USER MOD Single : A 21 MET CE :methyl -153:sc= -0.3 (180deg=-1.42) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 31 THR OG1 : rot 36:sc= 0.0758 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0.729 (180deg=0.729) USER MOD Single : A 34 THR OG1 : rot -69:sc= 0.645 USER MOD Single : A 39 LYS NZ :NH3+ -128:sc= 0.305 (180deg=0.0704) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -118:sc= 0.242 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -96:sc= 0.0462 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 51 ASN : amide:sc= -0.0402 X(o=-0.04,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= 2.23 (180deg=2.08) USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.368) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0.0208 X(o=0.021,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0.466 (180deg=0.411) USER MOD Single : A 74 MET CE :methyl 155:sc= -0.415 (180deg=-1.66!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= 0.842 (180deg=0.414) USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= 1.21 (180deg=1.18) USER MOD Single : A 94 LYS NZ :NH3+ 130:sc= 0.599 (180deg=-0.326) USER MOD Single : A 97 SER OG : rot -34:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.018 17.206 4.159 1.00 12.51 N ATOM 2 CA MET A 1 -0.746 15.976 3.735 1.00 41.21 C ATOM 3 C MET A 1 -0.039 14.719 4.274 1.00 24.20 C ATOM 4 O MET A 1 1.181 14.718 4.438 1.00 21.03 O ATOM 5 CB MET A 1 -0.815 15.922 2.199 1.00 62.51 C ATOM 6 CG MET A 1 -1.970 15.096 1.656 1.00 20.55 C ATOM 7 SD MET A 1 -3.569 15.828 2.053 1.00 42.22 S ATOM 8 CE MET A 1 -4.684 14.693 1.238 1.00 64.10 C ATOM 0 H1 MET A 1 -0.660 17.821 4.699 1.00 12.51 H new ATOM 0 H2 MET A 1 0.791 16.942 4.756 1.00 12.51 H new ATOM 0 H3 MET A 1 0.323 17.715 3.318 1.00 12.51 H new ATOM 0 HA MET A 1 -1.757 16.006 4.142 1.00 41.21 H new ATOM 0 HB2 MET A 1 -0.897 16.938 1.814 1.00 62.51 H new ATOM 0 HB3 MET A 1 0.121 15.512 1.819 1.00 62.51 H new ATOM 0 HG2 MET A 1 -1.872 15.003 0.574 1.00 20.55 H new ATOM 0 HG3 MET A 1 -1.920 14.088 2.068 1.00 20.55 H new ATOM 0 HE1 MET A 1 -5.673 15.145 1.163 1.00 64.10 H new ATOM 0 HE2 MET A 1 -4.310 14.471 0.238 1.00 64.10 H new ATOM 0 HE3 MET A 1 -4.749 13.770 1.814 1.00 64.10 H new ATOM 20 N LEU A 2 -0.797 13.654 4.562 1.00 23.52 N ATOM 21 CA LEU A 2 -0.203 12.395 5.052 1.00 4.31 C ATOM 22 C LEU A 2 -0.286 11.291 3.989 1.00 23.35 C ATOM 23 O LEU A 2 -1.315 11.121 3.330 1.00 1.01 O ATOM 24 CB LEU A 2 -0.881 11.918 6.346 1.00 25.41 C ATOM 25 CG LEU A 2 -0.861 12.921 7.517 1.00 71.21 C ATOM 26 CD1 LEU A 2 -2.070 13.851 7.463 1.00 34.32 C ATOM 27 CD2 LEU A 2 -0.790 12.193 8.856 1.00 5.40 C ATOM 0 H LEU A 2 -1.812 13.634 4.467 1.00 23.52 H new ATOM 0 HA LEU A 2 0.846 12.601 5.265 1.00 4.31 H new ATOM 0 HB2 LEU A 2 -1.918 11.670 6.121 1.00 25.41 H new ATOM 0 HB3 LEU A 2 -0.396 10.998 6.671 1.00 25.41 H new ATOM 0 HG LEU A 2 0.035 13.533 7.419 1.00 71.21 H new ATOM 0 HD11 LEU A 2 -2.031 14.548 8.300 1.00 34.32 H new ATOM 0 HD12 LEU A 2 -2.059 14.408 6.526 1.00 34.32 H new ATOM 0 HD13 LEU A 2 -2.985 13.262 7.524 1.00 34.32 H new ATOM 0 HD21 LEU A 2 -0.777 12.922 9.666 1.00 5.40 H new ATOM 0 HD22 LEU A 2 -1.660 11.545 8.965 1.00 5.40 H new ATOM 0 HD23 LEU A 2 0.118 11.591 8.895 1.00 5.40 H new ATOM 39 N LEU A 3 0.797 10.528 3.843 1.00 51.54 N ATOM 40 CA LEU A 3 0.902 9.512 2.786 1.00 5.34 C ATOM 41 C LEU A 3 1.432 8.169 3.335 1.00 44.21 C ATOM 42 O LEU A 3 2.551 8.089 3.846 1.00 50.31 O ATOM 43 CB LEU A 3 1.826 10.026 1.671 1.00 61.13 C ATOM 44 CG LEU A 3 1.379 11.335 0.988 1.00 3.11 C ATOM 45 CD1 LEU A 3 2.458 11.857 0.046 1.00 2.53 C ATOM 46 CD2 LEU A 3 0.071 11.139 0.228 1.00 73.34 C ATOM 0 H LEU A 3 1.619 10.592 4.444 1.00 51.54 H new ATOM 0 HA LEU A 3 -0.096 9.333 2.387 1.00 5.34 H new ATOM 0 HB2 LEU A 3 2.822 10.176 2.089 1.00 61.13 H new ATOM 0 HB3 LEU A 3 1.913 9.251 0.910 1.00 61.13 H new ATOM 0 HG LEU A 3 1.216 12.074 1.772 1.00 3.11 H new ATOM 0 HD11 LEU A 3 2.117 12.780 -0.422 1.00 2.53 H new ATOM 0 HD12 LEU A 3 3.370 12.052 0.610 1.00 2.53 H new ATOM 0 HD13 LEU A 3 2.660 11.113 -0.724 1.00 2.53 H new ATOM 0 HD21 LEU A 3 -0.220 12.078 -0.243 1.00 73.34 H new ATOM 0 HD22 LEU A 3 0.206 10.375 -0.538 1.00 73.34 H new ATOM 0 HD23 LEU A 3 -0.709 10.824 0.921 1.00 73.34 H new ATOM 58 N TYR A 4 0.617 7.118 3.223 1.00 71.11 N ATOM 59 CA TYR A 4 0.975 5.777 3.722 1.00 35.01 C ATOM 60 C TYR A 4 1.001 4.735 2.587 1.00 52.21 C ATOM 61 O TYR A 4 0.355 4.911 1.552 1.00 13.15 O ATOM 62 CB TYR A 4 -0.020 5.329 4.805 1.00 63.15 C ATOM 63 CG TYR A 4 0.152 6.025 6.145 1.00 54.15 C ATOM 64 CD1 TYR A 4 -0.113 7.382 6.296 1.00 14.21 C ATOM 65 CD2 TYR A 4 0.567 5.313 7.266 1.00 74.33 C ATOM 66 CE1 TYR A 4 0.032 8.007 7.520 1.00 41.21 C ATOM 67 CE2 TYR A 4 0.713 5.931 8.489 1.00 45.41 C ATOM 68 CZ TYR A 4 0.444 7.275 8.613 1.00 3.25 C ATOM 69 OH TYR A 4 0.599 7.890 9.835 1.00 4.41 O ATOM 0 H TYR A 4 -0.304 7.165 2.788 1.00 71.11 H new ATOM 0 HA TYR A 4 1.977 5.844 4.147 1.00 35.01 H new ATOM 0 HB2 TYR A 4 -1.034 5.506 4.445 1.00 63.15 H new ATOM 0 HB3 TYR A 4 0.082 4.254 4.952 1.00 63.15 H new ATOM 0 HD1 TYR A 4 -0.438 7.957 5.442 1.00 14.21 H new ATOM 0 HD2 TYR A 4 0.778 4.258 7.176 1.00 74.33 H new ATOM 0 HE1 TYR A 4 -0.176 9.062 7.620 1.00 41.21 H new ATOM 0 HE2 TYR A 4 1.038 5.362 9.348 1.00 45.41 H new ATOM 0 HH TYR A 4 1.469 7.648 10.215 1.00 4.41 H new ATOM 79 N VAL A 5 1.737 3.640 2.797 1.00 2.43 N ATOM 80 CA VAL A 5 1.849 2.567 1.793 1.00 75.54 C ATOM 81 C VAL A 5 1.601 1.179 2.415 1.00 25.15 C ATOM 82 O VAL A 5 2.155 0.852 3.463 1.00 1.32 O ATOM 83 CB VAL A 5 3.247 2.571 1.112 1.00 60.34 C ATOM 84 CG1 VAL A 5 3.352 1.462 0.062 1.00 52.54 C ATOM 85 CG2 VAL A 5 3.547 3.935 0.488 1.00 24.53 C ATOM 0 H VAL A 5 2.266 3.469 3.652 1.00 2.43 H new ATOM 0 HA VAL A 5 1.082 2.764 1.044 1.00 75.54 H new ATOM 0 HB VAL A 5 3.993 2.377 1.883 1.00 60.34 H new ATOM 0 HG11 VAL A 5 4.340 1.489 -0.398 1.00 52.54 H new ATOM 0 HG12 VAL A 5 3.200 0.494 0.539 1.00 52.54 H new ATOM 0 HG13 VAL A 5 2.591 1.613 -0.704 1.00 52.54 H new ATOM 0 HG21 VAL A 5 4.530 3.912 0.018 1.00 24.53 H new ATOM 0 HG22 VAL A 5 2.791 4.166 -0.263 1.00 24.53 H new ATOM 0 HG23 VAL A 5 3.533 4.701 1.264 1.00 24.53 H new ATOM 95 N LEU A 6 0.763 0.373 1.762 1.00 44.33 N ATOM 96 CA LEU A 6 0.513 -1.019 2.174 1.00 12.24 C ATOM 97 C LEU A 6 1.045 -1.999 1.120 1.00 20.31 C ATOM 98 O LEU A 6 0.587 -1.995 -0.023 1.00 75.41 O ATOM 99 CB LEU A 6 -0.994 -1.259 2.380 1.00 63.23 C ATOM 100 CG LEU A 6 -1.629 -0.511 3.560 1.00 33.11 C ATOM 101 CD1 LEU A 6 -3.133 -0.762 3.618 1.00 5.34 C ATOM 102 CD2 LEU A 6 -0.964 -0.916 4.871 1.00 45.15 C ATOM 0 H LEU A 6 0.238 0.660 0.936 1.00 44.33 H new ATOM 0 HA LEU A 6 1.035 -1.189 3.115 1.00 12.24 H new ATOM 0 HB2 LEU A 6 -1.517 -0.973 1.468 1.00 63.23 H new ATOM 0 HB3 LEU A 6 -1.158 -2.328 2.520 1.00 63.23 H new ATOM 0 HG LEU A 6 -1.471 0.557 3.410 1.00 33.11 H new ATOM 0 HD11 LEU A 6 -3.560 -0.221 4.463 1.00 5.34 H new ATOM 0 HD12 LEU A 6 -3.596 -0.415 2.694 1.00 5.34 H new ATOM 0 HD13 LEU A 6 -3.319 -1.829 3.739 1.00 5.34 H new ATOM 0 HD21 LEU A 6 -1.427 -0.375 5.696 1.00 45.15 H new ATOM 0 HD22 LEU A 6 -1.087 -1.988 5.025 1.00 45.15 H new ATOM 0 HD23 LEU A 6 0.098 -0.674 4.830 1.00 45.15 H new ATOM 114 N ILE A 7 2.003 -2.840 1.499 1.00 73.34 N ATOM 115 CA ILE A 7 2.591 -3.798 0.558 1.00 32.22 C ATOM 116 C ILE A 7 2.154 -5.244 0.860 1.00 34.22 C ATOM 117 O ILE A 7 2.309 -5.741 1.979 1.00 72.42 O ATOM 118 CB ILE A 7 4.141 -3.708 0.551 1.00 23.21 C ATOM 119 CG1 ILE A 7 4.736 -4.684 -0.477 1.00 51.15 C ATOM 120 CG2 ILE A 7 4.713 -3.968 1.944 1.00 52.43 C ATOM 121 CD1 ILE A 7 6.244 -4.610 -0.584 1.00 44.13 C ATOM 0 H ILE A 7 2.389 -2.881 2.442 1.00 73.34 H new ATOM 0 HA ILE A 7 2.219 -3.529 -0.431 1.00 32.22 H new ATOM 0 HB ILE A 7 4.419 -2.695 0.261 1.00 23.21 H new ATOM 0 HG12 ILE A 7 4.449 -5.701 -0.208 1.00 51.15 H new ATOM 0 HG13 ILE A 7 4.301 -4.478 -1.455 1.00 51.15 H new ATOM 0 HG21 ILE A 7 5.800 -3.899 1.910 1.00 52.43 H new ATOM 0 HG22 ILE A 7 4.324 -3.226 2.641 1.00 52.43 H new ATOM 0 HG23 ILE A 7 4.423 -4.965 2.276 1.00 52.43 H new ATOM 0 HD11 ILE A 7 6.592 -5.327 -1.328 1.00 44.13 H new ATOM 0 HD12 ILE A 7 6.539 -3.604 -0.883 1.00 44.13 H new ATOM 0 HD13 ILE A 7 6.689 -4.846 0.383 1.00 44.13 H new ATOM 133 N ILE A 8 1.585 -5.904 -0.148 1.00 12.12 N ATOM 134 CA ILE A 8 1.212 -7.320 -0.055 1.00 73.20 C ATOM 135 C ILE A 8 2.013 -8.147 -1.075 1.00 32.31 C ATOM 136 O ILE A 8 1.718 -8.137 -2.273 1.00 64.23 O ATOM 137 CB ILE A 8 -0.307 -7.517 -0.321 1.00 44.15 C ATOM 138 CG1 ILE A 8 -1.137 -6.629 0.619 1.00 73.14 C ATOM 139 CG2 ILE A 8 -0.695 -8.989 -0.163 1.00 71.54 C ATOM 140 CD1 ILE A 8 -2.628 -6.667 0.350 1.00 32.44 C ATOM 0 H ILE A 8 1.369 -5.477 -1.049 1.00 12.12 H new ATOM 0 HA ILE A 8 1.440 -7.659 0.956 1.00 73.20 H new ATOM 0 HB ILE A 8 -0.519 -7.219 -1.348 1.00 44.15 H new ATOM 0 HG12 ILE A 8 -0.956 -6.939 1.648 1.00 73.14 H new ATOM 0 HG13 ILE A 8 -0.789 -5.600 0.531 1.00 73.14 H new ATOM 0 HG21 ILE A 8 -1.762 -9.106 -0.353 1.00 71.54 H new ATOM 0 HG22 ILE A 8 -0.131 -9.592 -0.874 1.00 71.54 H new ATOM 0 HG23 ILE A 8 -0.469 -9.318 0.851 1.00 71.54 H new ATOM 0 HD11 ILE A 8 -3.142 -6.014 1.056 1.00 32.44 H new ATOM 0 HD12 ILE A 8 -2.823 -6.327 -0.667 1.00 32.44 H new ATOM 0 HD13 ILE A 8 -2.993 -7.687 0.468 1.00 32.44 H new ATOM 152 N SER A 9 3.030 -8.854 -0.593 1.00 73.41 N ATOM 153 CA SER A 9 3.882 -9.680 -1.459 1.00 11.25 C ATOM 154 C SER A 9 4.664 -10.718 -0.652 1.00 64.23 C ATOM 155 O SER A 9 4.731 -10.648 0.576 1.00 60.51 O ATOM 156 CB SER A 9 4.866 -8.808 -2.257 1.00 30.33 C ATOM 157 OG SER A 9 5.717 -9.605 -3.075 1.00 21.45 O ATOM 0 H SER A 9 3.289 -8.875 0.393 1.00 73.41 H new ATOM 0 HA SER A 9 3.221 -10.202 -2.151 1.00 11.25 H new ATOM 0 HB2 SER A 9 4.311 -8.107 -2.880 1.00 30.33 H new ATOM 0 HB3 SER A 9 5.470 -8.215 -1.570 1.00 30.33 H new ATOM 0 HG SER A 9 6.514 -9.089 -3.317 1.00 21.45 H new ATOM 163 N ASN A 10 5.258 -11.675 -1.357 1.00 22.52 N ATOM 164 CA ASN A 10 6.091 -12.710 -0.736 1.00 72.30 C ATOM 165 C ASN A 10 7.529 -12.675 -1.284 1.00 11.52 C ATOM 166 O ASN A 10 8.368 -13.493 -0.901 1.00 51.25 O ATOM 167 CB ASN A 10 5.459 -14.091 -0.958 1.00 53.15 C ATOM 168 CG ASN A 10 4.175 -14.266 -0.162 1.00 63.41 C ATOM 169 OD1 ASN A 10 4.047 -13.759 0.947 1.00 34.41 O ATOM 170 ND2 ASN A 10 3.211 -14.970 -0.721 1.00 34.14 N ATOM 0 H ASN A 10 5.179 -11.759 -2.370 1.00 22.52 H new ATOM 0 HA ASN A 10 6.144 -12.512 0.334 1.00 72.30 H new ATOM 0 HB2 ASN A 10 5.249 -14.227 -2.019 1.00 53.15 H new ATOM 0 HB3 ASN A 10 6.171 -14.865 -0.672 1.00 53.15 H new ATOM 0 HD21 ASN A 10 2.328 -15.106 -0.229 1.00 34.14 H new ATOM 0 HD22 ASN A 10 3.348 -15.379 -1.645 1.00 34.14 H new ATOM 177 N ASP A 11 7.812 -11.717 -2.169 1.00 2.34 N ATOM 178 CA ASP A 11 9.156 -11.557 -2.738 1.00 71.11 C ATOM 179 C ASP A 11 10.004 -10.607 -1.872 1.00 61.34 C ATOM 180 O ASP A 11 9.660 -9.437 -1.692 1.00 62.22 O ATOM 181 CB ASP A 11 9.067 -11.032 -4.177 1.00 64.31 C ATOM 182 CG ASP A 11 10.415 -11.041 -4.882 1.00 13.03 C ATOM 183 OD1 ASP A 11 10.767 -12.071 -5.492 1.00 55.50 O ATOM 184 OD2 ASP A 11 11.135 -10.022 -4.817 1.00 33.31 O ATOM 0 H ASP A 11 7.130 -11.039 -2.509 1.00 2.34 H new ATOM 0 HA ASP A 11 9.641 -12.533 -2.752 1.00 71.11 H new ATOM 0 HB2 ASP A 11 8.361 -11.642 -4.741 1.00 64.31 H new ATOM 0 HB3 ASP A 11 8.672 -10.016 -4.166 1.00 64.31 H new ATOM 189 N LYS A 12 11.116 -11.120 -1.346 1.00 61.35 N ATOM 190 CA LYS A 12 11.975 -10.356 -0.428 1.00 15.25 C ATOM 191 C LYS A 12 12.587 -9.113 -1.099 1.00 64.04 C ATOM 192 O LYS A 12 12.637 -8.037 -0.499 1.00 72.40 O ATOM 193 CB LYS A 12 13.080 -11.268 0.123 1.00 45.52 C ATOM 194 CG LYS A 12 12.543 -12.450 0.926 1.00 54.01 C ATOM 195 CD LYS A 12 11.797 -11.987 2.176 1.00 1.34 C ATOM 196 CE LYS A 12 11.065 -13.134 2.859 1.00 51.43 C ATOM 197 NZ LYS A 12 11.982 -14.235 3.265 1.00 31.43 N ATOM 0 H LYS A 12 11.448 -12.065 -1.538 1.00 61.35 H new ATOM 0 HA LYS A 12 11.351 -9.998 0.391 1.00 15.25 H new ATOM 0 HB2 LYS A 12 13.679 -11.643 -0.707 1.00 45.52 H new ATOM 0 HB3 LYS A 12 13.745 -10.680 0.756 1.00 45.52 H new ATOM 0 HG2 LYS A 12 11.875 -13.042 0.301 1.00 54.01 H new ATOM 0 HG3 LYS A 12 13.369 -13.100 1.214 1.00 54.01 H new ATOM 0 HD2 LYS A 12 12.503 -11.540 2.875 1.00 1.34 H new ATOM 0 HD3 LYS A 12 11.082 -11.210 1.905 1.00 1.34 H new ATOM 0 HE2 LYS A 12 10.545 -12.756 3.739 1.00 51.43 H new ATOM 0 HE3 LYS A 12 10.305 -13.529 2.184 1.00 51.43 H new ATOM 0 HZ1 LYS A 12 11.453 -14.943 3.814 1.00 31.43 H new ATOM 0 HZ2 LYS A 12 12.383 -14.684 2.417 1.00 31.43 H new ATOM 0 HZ3 LYS A 12 12.751 -13.849 3.849 1.00 31.43 H new ATOM 211 N LYS A 13 13.033 -9.265 -2.342 1.00 1.05 N ATOM 212 CA LYS A 13 13.637 -8.154 -3.092 1.00 61.00 C ATOM 213 C LYS A 13 12.620 -7.028 -3.328 1.00 61.44 C ATOM 214 O LYS A 13 12.936 -5.849 -3.171 1.00 61.25 O ATOM 215 CB LYS A 13 14.183 -8.657 -4.436 1.00 2.44 C ATOM 216 CG LYS A 13 15.288 -9.702 -4.303 1.00 23.21 C ATOM 217 CD LYS A 13 16.577 -9.113 -3.729 1.00 30.22 C ATOM 218 CE LYS A 13 17.201 -8.078 -4.665 1.00 44.23 C ATOM 219 NZ LYS A 13 17.562 -8.662 -5.987 1.00 53.15 N ATOM 0 H LYS A 13 12.990 -10.145 -2.857 1.00 1.05 H new ATOM 0 HA LYS A 13 14.458 -7.753 -2.498 1.00 61.00 H new ATOM 0 HB2 LYS A 13 13.362 -9.082 -5.014 1.00 2.44 H new ATOM 0 HB3 LYS A 13 14.566 -7.808 -5.002 1.00 2.44 H new ATOM 0 HG2 LYS A 13 14.944 -10.512 -3.660 1.00 23.21 H new ATOM 0 HG3 LYS A 13 15.494 -10.137 -5.281 1.00 23.21 H new ATOM 0 HD2 LYS A 13 16.366 -8.649 -2.765 1.00 30.22 H new ATOM 0 HD3 LYS A 13 17.292 -9.915 -3.547 1.00 30.22 H new ATOM 0 HE2 LYS A 13 16.502 -7.255 -4.812 1.00 44.23 H new ATOM 0 HE3 LYS A 13 18.093 -7.659 -4.199 1.00 44.23 H new ATOM 0 HZ1 LYS A 13 18.159 -7.991 -6.511 1.00 53.15 H new ATOM 0 HZ2 LYS A 13 18.083 -9.551 -5.843 1.00 53.15 H new ATOM 0 HZ3 LYS A 13 16.696 -8.852 -6.531 1.00 53.15 H new ATOM 233 N LEU A 14 11.398 -7.410 -3.694 1.00 62.23 N ATOM 234 CA LEU A 14 10.312 -6.454 -3.929 1.00 60.34 C ATOM 235 C LEU A 14 10.012 -5.649 -2.654 1.00 1.02 C ATOM 236 O LEU A 14 9.869 -4.424 -2.696 1.00 64.23 O ATOM 237 CB LEU A 14 9.062 -7.216 -4.424 1.00 71.20 C ATOM 238 CG LEU A 14 7.905 -6.359 -4.989 1.00 12.03 C ATOM 239 CD1 LEU A 14 7.005 -7.201 -5.893 1.00 22.44 C ATOM 240 CD2 LEU A 14 7.075 -5.734 -3.868 1.00 43.54 C ATOM 0 H LEU A 14 11.131 -8.384 -3.836 1.00 62.23 H new ATOM 0 HA LEU A 14 10.614 -5.741 -4.696 1.00 60.34 H new ATOM 0 HB2 LEU A 14 9.375 -7.917 -5.197 1.00 71.20 H new ATOM 0 HB3 LEU A 14 8.674 -7.808 -3.595 1.00 71.20 H new ATOM 0 HG LEU A 14 8.349 -5.554 -5.575 1.00 12.03 H new ATOM 0 HD11 LEU A 14 6.197 -6.581 -6.281 1.00 22.44 H new ATOM 0 HD12 LEU A 14 7.590 -7.596 -6.723 1.00 22.44 H new ATOM 0 HD13 LEU A 14 6.585 -8.028 -5.320 1.00 22.44 H new ATOM 0 HD21 LEU A 14 6.271 -5.138 -4.300 1.00 43.54 H new ATOM 0 HD22 LEU A 14 6.650 -6.523 -3.247 1.00 43.54 H new ATOM 0 HD23 LEU A 14 7.712 -5.095 -3.257 1.00 43.54 H new ATOM 252 N ILE A 15 9.933 -6.345 -1.519 1.00 14.11 N ATOM 253 CA ILE A 15 9.694 -5.695 -0.225 1.00 24.42 C ATOM 254 C ILE A 15 10.819 -4.706 0.129 1.00 13.20 C ATOM 255 O ILE A 15 10.558 -3.547 0.463 1.00 4.32 O ATOM 256 CB ILE A 15 9.550 -6.740 0.914 1.00 24.21 C ATOM 257 CG1 ILE A 15 8.359 -7.676 0.637 1.00 71.32 C ATOM 258 CG2 ILE A 15 9.390 -6.048 2.272 1.00 71.33 C ATOM 259 CD1 ILE A 15 8.214 -8.801 1.642 1.00 63.13 C ATOM 0 H ILE A 15 10.031 -7.359 -1.467 1.00 14.11 H new ATOM 0 HA ILE A 15 8.759 -5.143 -0.321 1.00 24.42 H new ATOM 0 HB ILE A 15 10.460 -7.339 0.946 1.00 24.21 H new ATOM 0 HG12 ILE A 15 7.441 -7.088 0.630 1.00 71.32 H new ATOM 0 HG13 ILE A 15 8.470 -8.104 -0.359 1.00 71.32 H new ATOM 0 HG21 ILE A 15 9.291 -6.800 3.054 1.00 71.33 H new ATOM 0 HG22 ILE A 15 10.266 -5.431 2.471 1.00 71.33 H new ATOM 0 HG23 ILE A 15 8.499 -5.420 2.258 1.00 71.33 H new ATOM 0 HD11 ILE A 15 7.353 -9.416 1.378 1.00 63.13 H new ATOM 0 HD12 ILE A 15 9.115 -9.415 1.633 1.00 63.13 H new ATOM 0 HD13 ILE A 15 8.070 -8.383 2.638 1.00 63.13 H new ATOM 271 N GLU A 16 12.070 -5.164 0.049 1.00 13.32 N ATOM 272 CA GLU A 16 13.224 -4.316 0.383 1.00 22.35 C ATOM 273 C GLU A 16 13.304 -3.074 -0.521 1.00 30.42 C ATOM 274 O GLU A 16 13.375 -1.943 -0.031 1.00 62.13 O ATOM 275 CB GLU A 16 14.531 -5.121 0.294 1.00 75.42 C ATOM 276 CG GLU A 16 14.637 -6.240 1.327 1.00 63.31 C ATOM 277 CD GLU A 16 16.014 -6.888 1.354 1.00 0.13 C ATOM 278 OE1 GLU A 16 16.955 -6.256 1.883 1.00 42.32 O ATOM 279 OE2 GLU A 16 16.161 -8.020 0.852 1.00 65.34 O ATOM 0 H GLU A 16 12.313 -6.111 -0.242 1.00 13.32 H new ATOM 0 HA GLU A 16 13.086 -3.972 1.408 1.00 22.35 H new ATOM 0 HB2 GLU A 16 14.614 -5.551 -0.704 1.00 75.42 H new ATOM 0 HB3 GLU A 16 15.374 -4.442 0.420 1.00 75.42 H new ATOM 0 HG2 GLU A 16 14.409 -5.839 2.315 1.00 63.31 H new ATOM 0 HG3 GLU A 16 13.887 -7.000 1.111 1.00 63.31 H new ATOM 286 N GLU A 17 13.274 -3.287 -1.835 1.00 23.41 N ATOM 287 CA GLU A 17 13.317 -2.181 -2.804 1.00 52.41 C ATOM 288 C GLU A 17 12.178 -1.171 -2.568 1.00 44.13 C ATOM 289 O GLU A 17 12.367 0.042 -2.712 1.00 61.24 O ATOM 290 CB GLU A 17 13.243 -2.729 -4.238 1.00 44.54 C ATOM 291 CG GLU A 17 14.474 -3.524 -4.675 1.00 53.12 C ATOM 292 CD GLU A 17 15.719 -2.661 -4.839 1.00 60.52 C ATOM 293 OE1 GLU A 17 15.913 -2.088 -5.935 1.00 74.55 O ATOM 294 OE2 GLU A 17 16.516 -2.561 -3.881 1.00 33.30 O ATOM 0 H GLU A 17 13.220 -4.213 -2.258 1.00 23.41 H new ATOM 0 HA GLU A 17 14.262 -1.657 -2.664 1.00 52.41 H new ATOM 0 HB2 GLU A 17 12.364 -3.367 -4.325 1.00 44.54 H new ATOM 0 HB3 GLU A 17 13.101 -1.895 -4.926 1.00 44.54 H new ATOM 0 HG2 GLU A 17 14.675 -4.304 -3.940 1.00 53.12 H new ATOM 0 HG3 GLU A 17 14.259 -4.024 -5.620 1.00 53.12 H new ATOM 301 N ALA A 18 11.000 -1.679 -2.202 1.00 71.22 N ATOM 302 CA ALA A 18 9.846 -0.826 -1.894 1.00 64.33 C ATOM 303 C ALA A 18 10.108 0.062 -0.665 1.00 14.43 C ATOM 304 O ALA A 18 9.884 1.274 -0.701 1.00 33.20 O ATOM 305 CB ALA A 18 8.601 -1.678 -1.673 1.00 3.24 C ATOM 0 H ALA A 18 10.818 -2.678 -2.111 1.00 71.22 H new ATOM 0 HA ALA A 18 9.683 -0.170 -2.749 1.00 64.33 H new ATOM 0 HB1 ALA A 18 7.753 -1.032 -1.445 1.00 3.24 H new ATOM 0 HB2 ALA A 18 8.388 -2.252 -2.575 1.00 3.24 H new ATOM 0 HB3 ALA A 18 8.770 -2.361 -0.840 1.00 3.24 H new ATOM 311 N ARG A 19 10.589 -0.551 0.421 1.00 44.10 N ATOM 312 CA ARG A 19 10.897 0.189 1.653 1.00 61.31 C ATOM 313 C ARG A 19 11.920 1.302 1.391 1.00 41.30 C ATOM 314 O ARG A 19 11.763 2.420 1.868 1.00 23.45 O ATOM 315 CB ARG A 19 11.433 -0.752 2.743 1.00 15.15 C ATOM 316 CG ARG A 19 10.473 -1.873 3.130 1.00 23.21 C ATOM 317 CD ARG A 19 11.044 -2.745 4.246 1.00 3.45 C ATOM 318 NE ARG A 19 12.390 -3.230 3.934 1.00 51.20 N ATOM 319 CZ ARG A 19 12.941 -4.281 4.473 1.00 33.23 C ATOM 320 NH1 ARG A 19 12.303 -4.990 5.349 1.00 42.54 N ATOM 321 NH2 ARG A 19 14.144 -4.612 4.141 1.00 61.25 N ATOM 0 H ARG A 19 10.773 -1.553 0.474 1.00 44.10 H new ATOM 0 HA ARG A 19 9.967 0.640 1.999 1.00 61.31 H new ATOM 0 HB2 ARG A 19 12.368 -1.193 2.399 1.00 15.15 H new ATOM 0 HB3 ARG A 19 11.665 -0.165 3.632 1.00 15.15 H new ATOM 0 HG2 ARG A 19 9.524 -1.444 3.452 1.00 23.21 H new ATOM 0 HG3 ARG A 19 10.264 -2.491 2.257 1.00 23.21 H new ATOM 0 HD2 ARG A 19 11.071 -2.173 5.174 1.00 3.45 H new ATOM 0 HD3 ARG A 19 10.383 -3.595 4.415 1.00 3.45 H new ATOM 0 HE ARG A 19 12.934 -2.709 3.247 1.00 51.20 H new ATOM 0 HH11 ARG A 19 11.357 -4.728 5.625 1.00 42.54 H new ATOM 0 HH12 ARG A 19 12.747 -5.810 5.762 1.00 42.54 H new ATOM 0 HH21 ARG A 19 14.658 -4.052 3.460 1.00 61.25 H new ATOM 0 HH22 ARG A 19 14.581 -5.433 4.559 1.00 61.25 H new ATOM 335 N LYS A 20 12.958 0.985 0.616 1.00 2.13 N ATOM 336 CA LYS A 20 14.007 1.958 0.279 1.00 0.34 C ATOM 337 C LYS A 20 13.411 3.226 -0.351 1.00 60.13 C ATOM 338 O LYS A 20 13.690 4.343 0.088 1.00 54.13 O ATOM 339 CB LYS A 20 15.024 1.323 -0.675 1.00 14.55 C ATOM 340 CG LYS A 20 15.718 0.098 -0.090 1.00 60.14 C ATOM 341 CD LYS A 20 16.581 -0.615 -1.122 1.00 74.24 C ATOM 342 CE LYS A 20 17.187 -1.894 -0.558 1.00 4.41 C ATOM 343 NZ LYS A 20 17.991 -2.625 -1.573 1.00 62.01 N ATOM 0 H LYS A 20 13.098 0.061 0.207 1.00 2.13 H new ATOM 0 HA LYS A 20 14.510 2.246 1.202 1.00 0.34 H new ATOM 0 HB2 LYS A 20 14.518 1.039 -1.598 1.00 14.55 H new ATOM 0 HB3 LYS A 20 15.776 2.066 -0.940 1.00 14.55 H new ATOM 0 HG2 LYS A 20 16.338 0.401 0.754 1.00 60.14 H new ATOM 0 HG3 LYS A 20 14.969 -0.593 0.296 1.00 60.14 H new ATOM 0 HD2 LYS A 20 15.979 -0.853 -1.999 1.00 74.24 H new ATOM 0 HD3 LYS A 20 17.378 0.051 -1.453 1.00 74.24 H new ATOM 0 HE2 LYS A 20 17.818 -1.650 0.297 1.00 4.41 H new ATOM 0 HE3 LYS A 20 16.390 -2.542 -0.192 1.00 4.41 H new ATOM 0 HZ1 LYS A 20 18.329 -3.522 -1.168 1.00 62.01 H new ATOM 0 HZ2 LYS A 20 17.401 -2.822 -2.407 1.00 62.01 H new ATOM 0 HZ3 LYS A 20 18.806 -2.044 -1.855 1.00 62.01 H new ATOM 357 N MET A 21 12.581 3.043 -1.377 1.00 61.31 N ATOM 358 CA MET A 21 11.887 4.165 -2.022 1.00 53.13 C ATOM 359 C MET A 21 11.012 4.934 -1.021 1.00 52.41 C ATOM 360 O MET A 21 10.981 6.167 -1.022 1.00 64.23 O ATOM 361 CB MET A 21 11.028 3.658 -3.187 1.00 42.10 C ATOM 362 CG MET A 21 11.838 3.223 -4.402 1.00 25.20 C ATOM 363 SD MET A 21 12.774 4.583 -5.131 1.00 14.20 S ATOM 364 CE MET A 21 11.466 5.780 -5.398 1.00 34.51 C ATOM 0 H MET A 21 12.371 2.131 -1.782 1.00 61.31 H new ATOM 0 HA MET A 21 12.644 4.850 -2.404 1.00 53.13 H new ATOM 0 HB2 MET A 21 10.425 2.817 -2.843 1.00 42.10 H new ATOM 0 HB3 MET A 21 10.336 4.445 -3.486 1.00 42.10 H new ATOM 0 HG2 MET A 21 12.525 2.428 -4.111 1.00 25.20 H new ATOM 0 HG3 MET A 21 11.166 2.805 -5.152 1.00 25.20 H new ATOM 0 HE1 MET A 21 11.735 6.433 -6.228 1.00 34.51 H new ATOM 0 HE2 MET A 21 10.538 5.259 -5.632 1.00 34.51 H new ATOM 0 HE3 MET A 21 11.329 6.377 -4.496 1.00 34.51 H new ATOM 374 N ALA A 22 10.306 4.195 -0.166 1.00 62.11 N ATOM 375 CA ALA A 22 9.451 4.800 0.858 1.00 52.40 C ATOM 376 C ALA A 22 10.262 5.663 1.837 1.00 40.22 C ATOM 377 O ALA A 22 9.858 6.770 2.181 1.00 22.30 O ATOM 378 CB ALA A 22 8.682 3.716 1.611 1.00 31.12 C ATOM 0 H ALA A 22 10.308 3.175 -0.161 1.00 62.11 H new ATOM 0 HA ALA A 22 8.740 5.455 0.354 1.00 52.40 H new ATOM 0 HB1 ALA A 22 8.050 4.178 2.369 1.00 31.12 H new ATOM 0 HB2 ALA A 22 8.060 3.158 0.911 1.00 31.12 H new ATOM 0 HB3 ALA A 22 9.387 3.037 2.091 1.00 31.12 H new ATOM 384 N GLU A 23 11.414 5.154 2.273 1.00 13.33 N ATOM 385 CA GLU A 23 12.287 5.883 3.203 1.00 42.31 C ATOM 386 C GLU A 23 12.783 7.205 2.594 1.00 14.21 C ATOM 387 O GLU A 23 12.756 8.252 3.247 1.00 32.23 O ATOM 388 CB GLU A 23 13.480 5.003 3.604 1.00 71.03 C ATOM 389 CG GLU A 23 13.083 3.717 4.332 1.00 32.21 C ATOM 390 CD GLU A 23 12.412 3.976 5.672 1.00 51.11 C ATOM 391 OE1 GLU A 23 11.174 4.149 5.709 1.00 4.31 O ATOM 392 OE2 GLU A 23 13.128 4.014 6.697 1.00 41.52 O ATOM 0 H GLU A 23 11.768 4.238 1.998 1.00 13.33 H new ATOM 0 HA GLU A 23 11.703 6.125 4.091 1.00 42.31 H new ATOM 0 HB2 GLU A 23 14.045 4.743 2.709 1.00 71.03 H new ATOM 0 HB3 GLU A 23 14.146 5.581 4.244 1.00 71.03 H new ATOM 0 HG2 GLU A 23 12.408 3.141 3.699 1.00 32.21 H new ATOM 0 HG3 GLU A 23 13.972 3.106 4.489 1.00 32.21 H new ATOM 399 N LYS A 24 13.221 7.152 1.335 1.00 10.40 N ATOM 400 CA LYS A 24 13.665 8.356 0.615 1.00 20.24 C ATOM 401 C LYS A 24 12.525 9.382 0.481 1.00 24.22 C ATOM 402 O LYS A 24 12.738 10.589 0.625 1.00 44.32 O ATOM 403 CB LYS A 24 14.206 7.979 -0.779 1.00 61.33 C ATOM 404 CG LYS A 24 15.668 7.526 -0.793 1.00 4.10 C ATOM 405 CD LYS A 24 15.941 6.385 0.185 1.00 72.23 C ATOM 406 CE LYS A 24 17.397 5.930 0.139 1.00 53.22 C ATOM 407 NZ LYS A 24 17.687 4.886 1.159 1.00 1.43 N ATOM 0 H LYS A 24 13.279 6.292 0.790 1.00 10.40 H new ATOM 0 HA LYS A 24 14.465 8.815 1.196 1.00 20.24 H new ATOM 0 HB2 LYS A 24 13.588 7.181 -1.191 1.00 61.33 H new ATOM 0 HB3 LYS A 24 14.099 8.839 -1.441 1.00 61.33 H new ATOM 0 HG2 LYS A 24 15.936 7.207 -1.800 1.00 4.10 H new ATOM 0 HG3 LYS A 24 16.309 8.372 -0.545 1.00 4.10 H new ATOM 0 HD2 LYS A 24 15.693 6.707 1.196 1.00 72.23 H new ATOM 0 HD3 LYS A 24 15.290 5.543 -0.050 1.00 72.23 H new ATOM 0 HE2 LYS A 24 17.624 5.540 -0.853 1.00 53.22 H new ATOM 0 HE3 LYS A 24 18.050 6.787 0.302 1.00 53.22 H new ATOM 0 HZ1 LYS A 24 18.686 4.605 1.094 1.00 1.43 H new ATOM 0 HZ2 LYS A 24 17.495 5.265 2.108 1.00 1.43 H new ATOM 0 HZ3 LYS A 24 17.082 4.057 0.989 1.00 1.43 H new ATOM 421 N ALA A 25 11.315 8.890 0.215 1.00 54.03 N ATOM 422 CA ALA A 25 10.131 9.750 0.085 1.00 72.45 C ATOM 423 C ALA A 25 9.437 9.986 1.441 1.00 13.33 C ATOM 424 O ALA A 25 8.402 10.647 1.510 1.00 1.21 O ATOM 425 CB ALA A 25 9.156 9.139 -0.916 1.00 63.43 C ATOM 0 H ALA A 25 11.125 7.896 0.084 1.00 54.03 H new ATOM 0 HA ALA A 25 10.462 10.723 -0.279 1.00 72.45 H new ATOM 0 HB1 ALA A 25 8.280 9.781 -1.009 1.00 63.43 H new ATOM 0 HB2 ALA A 25 9.642 9.046 -1.887 1.00 63.43 H new ATOM 0 HB3 ALA A 25 8.848 8.153 -0.569 1.00 63.43 H new ATOM 431 N ASN A 26 10.017 9.430 2.511 1.00 23.41 N ATOM 432 CA ASN A 26 9.504 9.600 3.883 1.00 64.12 C ATOM 433 C ASN A 26 8.080 9.029 4.057 1.00 32.23 C ATOM 434 O ASN A 26 7.349 9.416 4.971 1.00 34.22 O ATOM 435 CB ASN A 26 9.542 11.082 4.284 1.00 42.44 C ATOM 436 CG ASN A 26 10.945 11.668 4.221 1.00 53.51 C ATOM 437 OD1 ASN A 26 11.956 10.849 4.455 1.00 61.33 O flip ATOM 438 ND2 ASN A 26 11.125 12.850 3.954 1.00 23.41 N flip ATOM 0 H ASN A 26 10.854 8.850 2.455 1.00 23.41 H new ATOM 0 HA ASN A 26 10.157 9.030 4.544 1.00 64.12 H new ATOM 0 HB2 ASN A 26 8.885 11.650 3.626 1.00 42.44 H new ATOM 0 HB3 ASN A 26 9.151 11.191 5.296 1.00 42.44 H new ATOM 0 HD21 ASN A 26 10.327 13.460 3.778 1.00 23.41 H new ATOM 0 HD22 ASN A 26 12.073 13.224 3.908 1.00 23.41 H new ATOM 445 N LEU A 27 7.710 8.087 3.195 1.00 52.31 N ATOM 446 CA LEU A 27 6.392 7.445 3.258 1.00 15.04 C ATOM 447 C LEU A 27 6.370 6.316 4.301 1.00 54.34 C ATOM 448 O LEU A 27 7.318 5.530 4.405 1.00 63.22 O ATOM 449 CB LEU A 27 6.007 6.886 1.880 1.00 13.32 C ATOM 450 CG LEU A 27 6.035 7.903 0.724 1.00 23.31 C ATOM 451 CD1 LEU A 27 5.601 7.252 -0.586 1.00 51.43 C ATOM 452 CD2 LEU A 27 5.159 9.112 1.043 1.00 73.52 C ATOM 0 H LEU A 27 8.305 7.747 2.439 1.00 52.31 H new ATOM 0 HA LEU A 27 5.667 8.202 3.557 1.00 15.04 H new ATOM 0 HB2 LEU A 27 6.683 6.067 1.637 1.00 13.32 H new ATOM 0 HB3 LEU A 27 5.005 6.463 1.945 1.00 13.32 H new ATOM 0 HG LEU A 27 7.062 8.249 0.606 1.00 23.31 H new ATOM 0 HD11 LEU A 27 5.629 7.991 -1.387 1.00 51.43 H new ATOM 0 HD12 LEU A 27 6.277 6.431 -0.826 1.00 51.43 H new ATOM 0 HD13 LEU A 27 4.586 6.868 -0.483 1.00 51.43 H new ATOM 0 HD21 LEU A 27 5.195 9.817 0.212 1.00 73.52 H new ATOM 0 HD22 LEU A 27 4.131 8.785 1.198 1.00 73.52 H new ATOM 0 HD23 LEU A 27 5.525 9.598 1.947 1.00 73.52 H new ATOM 464 N GLU A 28 5.287 6.242 5.071 1.00 4.30 N ATOM 465 CA GLU A 28 5.137 5.213 6.106 1.00 51.21 C ATOM 466 C GLU A 28 4.584 3.906 5.513 1.00 13.20 C ATOM 467 O GLU A 28 3.402 3.811 5.174 1.00 62.53 O ATOM 468 CB GLU A 28 4.225 5.736 7.229 1.00 22.40 C ATOM 469 CG GLU A 28 4.806 6.938 7.977 1.00 64.13 C ATOM 470 CD GLU A 28 3.820 7.575 8.947 1.00 43.32 C ATOM 471 OE1 GLU A 28 3.446 6.920 9.946 1.00 34.24 O ATOM 472 OE2 GLU A 28 3.417 8.737 8.716 1.00 60.41 O ATOM 0 H GLU A 28 4.496 6.883 5.000 1.00 4.30 H new ATOM 0 HA GLU A 28 6.119 4.992 6.523 1.00 51.21 H new ATOM 0 HB2 GLU A 28 3.261 6.014 6.803 1.00 22.40 H new ATOM 0 HB3 GLU A 28 4.039 4.931 7.940 1.00 22.40 H new ATOM 0 HG2 GLU A 28 5.693 6.622 8.526 1.00 64.13 H new ATOM 0 HG3 GLU A 28 5.129 7.687 7.253 1.00 64.13 H new ATOM 479 N LEU A 29 5.454 2.903 5.385 1.00 2.03 N ATOM 480 CA LEU A 29 5.108 1.637 4.723 1.00 3.04 C ATOM 481 C LEU A 29 4.789 0.520 5.743 1.00 71.34 C ATOM 482 O LEU A 29 5.507 0.332 6.729 1.00 73.03 O ATOM 483 CB LEU A 29 6.270 1.229 3.790 1.00 74.42 C ATOM 484 CG LEU A 29 6.041 -0.015 2.896 1.00 41.45 C ATOM 485 CD1 LEU A 29 6.888 0.075 1.628 1.00 52.14 C ATOM 486 CD2 LEU A 29 6.370 -1.307 3.648 1.00 40.14 C ATOM 0 H LEU A 29 6.412 2.941 5.733 1.00 2.03 H new ATOM 0 HA LEU A 29 4.202 1.782 4.135 1.00 3.04 H new ATOM 0 HB2 LEU A 29 6.500 2.075 3.143 1.00 74.42 H new ATOM 0 HB3 LEU A 29 7.152 1.049 4.404 1.00 74.42 H new ATOM 0 HG LEU A 29 4.986 -0.036 2.622 1.00 41.45 H new ATOM 0 HD11 LEU A 29 6.715 -0.807 1.011 1.00 52.14 H new ATOM 0 HD12 LEU A 29 6.612 0.969 1.069 1.00 52.14 H new ATOM 0 HD13 LEU A 29 7.943 0.128 1.898 1.00 52.14 H new ATOM 0 HD21 LEU A 29 6.199 -2.162 2.994 1.00 40.14 H new ATOM 0 HD22 LEU A 29 7.415 -1.291 3.959 1.00 40.14 H new ATOM 0 HD23 LEU A 29 5.731 -1.389 4.527 1.00 40.14 H new ATOM 498 N ARG A 30 3.701 -0.214 5.490 1.00 54.34 N ATOM 499 CA ARG A 30 3.285 -1.351 6.330 1.00 72.44 C ATOM 500 C ARG A 30 3.145 -2.631 5.479 1.00 50.54 C ATOM 501 O ARG A 30 2.829 -2.562 4.290 1.00 62.04 O ATOM 502 CB ARG A 30 1.933 -1.057 7.007 1.00 41.22 C ATOM 503 CG ARG A 30 1.862 0.253 7.792 1.00 40.34 C ATOM 504 CD ARG A 30 2.766 0.255 9.020 1.00 42.12 C ATOM 505 NE ARG A 30 2.398 1.316 9.955 1.00 54.14 N ATOM 506 CZ ARG A 30 3.241 2.033 10.640 1.00 51.04 C ATOM 507 NH1 ARG A 30 4.522 1.896 10.484 1.00 44.00 N ATOM 508 NH2 ARG A 30 2.796 2.905 11.479 1.00 52.01 N ATOM 0 H ARG A 30 3.081 -0.040 4.699 1.00 54.34 H new ATOM 0 HA ARG A 30 4.051 -1.500 7.091 1.00 72.44 H new ATOM 0 HB2 ARG A 30 1.158 -1.044 6.241 1.00 41.22 H new ATOM 0 HB3 ARG A 30 1.699 -1.879 7.683 1.00 41.22 H new ATOM 0 HG2 ARG A 30 2.143 1.079 7.138 1.00 40.34 H new ATOM 0 HG3 ARG A 30 0.833 0.429 8.104 1.00 40.34 H new ATOM 0 HD2 ARG A 30 2.703 -0.711 9.521 1.00 42.12 H new ATOM 0 HD3 ARG A 30 3.803 0.386 8.710 1.00 42.12 H new ATOM 0 HE ARG A 30 1.404 1.509 10.080 1.00 54.14 H new ATOM 0 HH11 ARG A 30 4.885 1.217 9.815 1.00 44.00 H new ATOM 0 HH12 ARG A 30 5.166 2.468 11.030 1.00 44.00 H new ATOM 0 HH21 ARG A 30 1.791 3.028 11.601 1.00 52.01 H new ATOM 0 HH22 ARG A 30 3.449 3.472 12.020 1.00 52.01 H new ATOM 522 N THR A 31 3.363 -3.796 6.090 1.00 11.34 N ATOM 523 CA THR A 31 3.238 -5.085 5.382 1.00 1.23 C ATOM 524 C THR A 31 1.902 -5.779 5.691 1.00 63.41 C ATOM 525 O THR A 31 1.494 -5.867 6.848 1.00 62.44 O ATOM 526 CB THR A 31 4.386 -6.055 5.751 1.00 71.31 C ATOM 527 OG1 THR A 31 4.397 -6.291 7.168 1.00 71.13 O ATOM 528 CG2 THR A 31 5.742 -5.505 5.308 1.00 3.53 C ATOM 0 H THR A 31 3.627 -3.881 7.072 1.00 11.34 H new ATOM 0 HA THR A 31 3.287 -4.848 4.319 1.00 1.23 H new ATOM 0 HB THR A 31 4.211 -6.995 5.227 1.00 71.31 H new ATOM 0 HG1 THR A 31 3.476 -6.309 7.504 1.00 71.13 H new ATOM 0 HG21 THR A 31 6.527 -6.210 5.582 1.00 3.53 H new ATOM 0 HG22 THR A 31 5.742 -5.364 4.227 1.00 3.53 H new ATOM 0 HG23 THR A 31 5.925 -4.549 5.799 1.00 3.53 H new ATOM 536 N VAL A 32 1.231 -6.276 4.650 1.00 43.01 N ATOM 537 CA VAL A 32 -0.042 -7.002 4.803 1.00 13.33 C ATOM 538 C VAL A 32 0.016 -8.374 4.111 1.00 62.45 C ATOM 539 O VAL A 32 0.611 -8.511 3.042 1.00 13.00 O ATOM 540 CB VAL A 32 -1.229 -6.199 4.205 1.00 70.13 C ATOM 541 CG1 VAL A 32 -2.534 -6.991 4.312 1.00 21.42 C ATOM 542 CG2 VAL A 32 -1.364 -4.836 4.881 1.00 74.43 C ATOM 0 H VAL A 32 1.547 -6.191 3.684 1.00 43.01 H new ATOM 0 HA VAL A 32 -0.199 -7.136 5.873 1.00 13.33 H new ATOM 0 HB VAL A 32 -1.021 -6.031 3.148 1.00 70.13 H new ATOM 0 HG11 VAL A 32 -3.350 -6.407 3.886 1.00 21.42 H new ATOM 0 HG12 VAL A 32 -2.436 -7.929 3.766 1.00 21.42 H new ATOM 0 HG13 VAL A 32 -2.747 -7.202 5.360 1.00 21.42 H new ATOM 0 HG21 VAL A 32 -2.203 -4.294 4.443 1.00 74.43 H new ATOM 0 HG22 VAL A 32 -1.539 -4.975 5.948 1.00 74.43 H new ATOM 0 HG23 VAL A 32 -0.447 -4.265 4.735 1.00 74.43 H new ATOM 552 N LYS A 33 -0.596 -9.390 4.727 1.00 21.44 N ATOM 553 CA LYS A 33 -0.684 -10.721 4.108 1.00 54.23 C ATOM 554 C LYS A 33 -2.150 -11.122 3.867 1.00 32.22 C ATOM 555 O LYS A 33 -2.555 -11.400 2.737 1.00 61.32 O ATOM 556 CB LYS A 33 -0.007 -11.785 4.990 1.00 71.01 C ATOM 557 CG LYS A 33 1.218 -11.287 5.751 1.00 13.24 C ATOM 558 CD LYS A 33 1.896 -12.418 6.525 1.00 50.35 C ATOM 559 CE LYS A 33 2.661 -11.900 7.739 1.00 41.34 C ATOM 560 NZ LYS A 33 1.740 -11.408 8.800 1.00 65.42 N ATOM 0 H LYS A 33 -1.035 -9.320 5.645 1.00 21.44 H new ATOM 0 HA LYS A 33 -0.166 -10.667 3.150 1.00 54.23 H new ATOM 0 HB2 LYS A 33 -0.736 -12.163 5.707 1.00 71.01 H new ATOM 0 HB3 LYS A 33 0.288 -12.626 4.362 1.00 71.01 H new ATOM 0 HG2 LYS A 33 1.928 -10.847 5.051 1.00 13.24 H new ATOM 0 HG3 LYS A 33 0.922 -10.498 6.443 1.00 13.24 H new ATOM 0 HD2 LYS A 33 1.144 -13.137 6.850 1.00 50.35 H new ATOM 0 HD3 LYS A 33 2.581 -12.950 5.865 1.00 50.35 H new ATOM 0 HE2 LYS A 33 3.288 -12.696 8.141 1.00 41.34 H new ATOM 0 HE3 LYS A 33 3.327 -11.094 7.433 1.00 41.34 H new ATOM 0 HZ1 LYS A 33 2.295 -11.064 9.609 1.00 65.42 H new ATOM 0 HZ2 LYS A 33 1.159 -10.632 8.423 1.00 65.42 H new ATOM 0 HZ3 LYS A 33 1.121 -12.184 9.110 1.00 65.42 H new ATOM 574 N THR A 34 -2.938 -11.152 4.944 1.00 5.22 N ATOM 575 CA THR A 34 -4.329 -11.644 4.887 1.00 64.24 C ATOM 576 C THR A 34 -5.375 -10.517 4.856 1.00 14.23 C ATOM 577 O THR A 34 -5.053 -9.330 4.967 1.00 62.23 O ATOM 578 CB THR A 34 -4.645 -12.556 6.096 1.00 41.20 C ATOM 579 OG1 THR A 34 -4.475 -11.823 7.319 1.00 51.14 O ATOM 580 CG2 THR A 34 -3.750 -13.793 6.107 1.00 1.33 C ATOM 0 H THR A 34 -2.642 -10.843 5.870 1.00 5.22 H new ATOM 0 HA THR A 34 -4.396 -12.201 3.952 1.00 64.24 H new ATOM 0 HB THR A 34 -5.680 -12.886 6.008 1.00 41.20 H new ATOM 0 HG1 THR A 34 -3.524 -11.632 7.457 1.00 51.14 H new ATOM 0 HG21 THR A 34 -3.997 -14.413 6.969 1.00 1.33 H new ATOM 0 HG22 THR A 34 -3.907 -14.364 5.192 1.00 1.33 H new ATOM 0 HG23 THR A 34 -2.706 -13.486 6.168 1.00 1.33 H new ATOM 588 N GLU A 35 -6.640 -10.928 4.725 1.00 21.24 N ATOM 589 CA GLU A 35 -7.789 -10.012 4.660 1.00 32.43 C ATOM 590 C GLU A 35 -7.893 -9.126 5.916 1.00 21.15 C ATOM 591 O GLU A 35 -7.976 -7.899 5.823 1.00 22.30 O ATOM 592 CB GLU A 35 -9.071 -10.856 4.508 1.00 42.43 C ATOM 593 CG GLU A 35 -10.369 -10.061 4.356 1.00 10.50 C ATOM 594 CD GLU A 35 -10.576 -9.486 2.964 1.00 21.01 C ATOM 595 OE1 GLU A 35 -10.134 -10.124 1.985 1.00 71.31 O ATOM 596 OE2 GLU A 35 -11.233 -8.428 2.842 1.00 21.13 O ATOM 0 H GLU A 35 -6.900 -11.912 4.660 1.00 21.24 H new ATOM 0 HA GLU A 35 -7.657 -9.346 3.808 1.00 32.43 H new ATOM 0 HB2 GLU A 35 -8.958 -11.503 3.638 1.00 42.43 H new ATOM 0 HB3 GLU A 35 -9.163 -11.505 5.379 1.00 42.43 H new ATOM 0 HG2 GLU A 35 -11.211 -10.708 4.601 1.00 10.50 H new ATOM 0 HG3 GLU A 35 -10.372 -9.246 5.080 1.00 10.50 H new ATOM 603 N ASP A 36 -7.870 -9.754 7.092 1.00 51.31 N ATOM 604 CA ASP A 36 -8.040 -9.030 8.356 1.00 25.12 C ATOM 605 C ASP A 36 -6.881 -8.050 8.611 1.00 63.13 C ATOM 606 O ASP A 36 -7.091 -6.966 9.160 1.00 11.01 O ATOM 607 CB ASP A 36 -8.176 -10.016 9.521 1.00 1.01 C ATOM 608 CG ASP A 36 -8.508 -9.319 10.831 1.00 14.22 C ATOM 609 OD1 ASP A 36 -9.522 -8.595 10.885 1.00 4.14 O ATOM 610 OD2 ASP A 36 -7.749 -9.475 11.812 1.00 41.15 O ATOM 0 H ASP A 36 -7.736 -10.760 7.198 1.00 51.31 H new ATOM 0 HA ASP A 36 -8.955 -8.443 8.281 1.00 25.12 H new ATOM 0 HB2 ASP A 36 -8.956 -10.742 9.291 1.00 1.01 H new ATOM 0 HB3 ASP A 36 -7.246 -10.572 9.634 1.00 1.01 H new ATOM 615 N GLU A 37 -5.668 -8.427 8.202 1.00 44.14 N ATOM 616 CA GLU A 37 -4.499 -7.546 8.343 1.00 50.33 C ATOM 617 C GLU A 37 -4.687 -6.234 7.564 1.00 52.32 C ATOM 618 O GLU A 37 -4.436 -5.151 8.093 1.00 44.41 O ATOM 619 CB GLU A 37 -3.220 -8.255 7.870 1.00 62.55 C ATOM 620 CG GLU A 37 -2.741 -9.365 8.803 1.00 21.55 C ATOM 621 CD GLU A 37 -1.497 -10.074 8.282 1.00 23.31 C ATOM 622 OE1 GLU A 37 -0.372 -9.570 8.502 1.00 61.32 O ATOM 623 OE2 GLU A 37 -1.644 -11.133 7.641 1.00 5.03 O ATOM 0 H GLU A 37 -5.466 -9.330 7.773 1.00 44.14 H new ATOM 0 HA GLU A 37 -4.400 -7.305 9.401 1.00 50.33 H new ATOM 0 HB2 GLU A 37 -3.396 -8.677 6.881 1.00 62.55 H new ATOM 0 HB3 GLU A 37 -2.426 -7.516 7.764 1.00 62.55 H new ATOM 0 HG2 GLU A 37 -2.529 -8.942 9.785 1.00 21.55 H new ATOM 0 HG3 GLU A 37 -3.541 -10.093 8.935 1.00 21.55 H new ATOM 630 N LEU A 38 -5.139 -6.337 6.314 1.00 65.23 N ATOM 631 CA LEU A 38 -5.377 -5.155 5.470 1.00 65.22 C ATOM 632 C LEU A 38 -6.253 -4.130 6.217 1.00 51.13 C ATOM 633 O LEU A 38 -5.897 -2.955 6.334 1.00 71.11 O ATOM 634 CB LEU A 38 -6.034 -5.600 4.141 1.00 22.11 C ATOM 635 CG LEU A 38 -5.943 -4.617 2.951 1.00 54.23 C ATOM 636 CD1 LEU A 38 -6.843 -3.402 3.151 1.00 32.25 C ATOM 637 CD2 LEU A 38 -4.496 -4.185 2.714 1.00 44.13 C ATOM 0 H LEU A 38 -5.349 -7.225 5.859 1.00 65.23 H new ATOM 0 HA LEU A 38 -4.428 -4.669 5.242 1.00 65.22 H new ATOM 0 HB2 LEU A 38 -5.580 -6.543 3.837 1.00 22.11 H new ATOM 0 HB3 LEU A 38 -7.088 -5.802 4.334 1.00 22.11 H new ATOM 0 HG LEU A 38 -6.297 -5.144 2.065 1.00 54.23 H new ATOM 0 HD11 LEU A 38 -6.750 -2.736 2.293 1.00 32.25 H new ATOM 0 HD12 LEU A 38 -7.879 -3.728 3.247 1.00 32.25 H new ATOM 0 HD13 LEU A 38 -6.544 -2.873 4.056 1.00 32.25 H new ATOM 0 HD21 LEU A 38 -4.456 -3.494 1.872 1.00 44.13 H new ATOM 0 HD22 LEU A 38 -4.113 -3.692 3.607 1.00 44.13 H new ATOM 0 HD23 LEU A 38 -3.886 -5.061 2.493 1.00 44.13 H new ATOM 649 N LYS A 39 -7.380 -4.598 6.747 1.00 22.23 N ATOM 650 CA LYS A 39 -8.262 -3.765 7.575 1.00 70.04 C ATOM 651 C LYS A 39 -7.545 -3.285 8.851 1.00 65.41 C ATOM 652 O LYS A 39 -7.640 -2.117 9.230 1.00 60.24 O ATOM 653 CB LYS A 39 -9.517 -4.562 7.958 1.00 3.13 C ATOM 654 CG LYS A 39 -10.494 -3.797 8.852 1.00 21.50 C ATOM 655 CD LYS A 39 -11.654 -4.678 9.308 1.00 21.02 C ATOM 656 CE LYS A 39 -11.178 -5.830 10.190 1.00 0.13 C ATOM 657 NZ LYS A 39 -10.607 -5.354 11.480 1.00 11.24 N ATOM 0 H LYS A 39 -7.709 -5.555 6.619 1.00 22.23 H new ATOM 0 HA LYS A 39 -8.543 -2.888 6.993 1.00 70.04 H new ATOM 0 HB2 LYS A 39 -10.035 -4.864 7.047 1.00 3.13 H new ATOM 0 HB3 LYS A 39 -9.212 -5.475 8.469 1.00 3.13 H new ATOM 0 HG2 LYS A 39 -9.964 -3.413 9.724 1.00 21.50 H new ATOM 0 HG3 LYS A 39 -10.883 -2.935 8.311 1.00 21.50 H new ATOM 0 HD2 LYS A 39 -12.375 -4.073 9.858 1.00 21.02 H new ATOM 0 HD3 LYS A 39 -12.172 -5.078 8.436 1.00 21.02 H new ATOM 0 HE2 LYS A 39 -12.014 -6.501 10.390 1.00 0.13 H new ATOM 0 HE3 LYS A 39 -10.426 -6.409 9.654 1.00 0.13 H new ATOM 0 HZ1 LYS A 39 -9.665 -5.773 11.619 1.00 11.24 H new ATOM 0 HZ2 LYS A 39 -10.525 -4.317 11.462 1.00 11.24 H new ATOM 0 HZ3 LYS A 39 -11.231 -5.638 12.262 1.00 11.24 H new ATOM 671 N LYS A 40 -6.824 -4.201 9.494 1.00 41.33 N ATOM 672 CA LYS A 40 -6.129 -3.927 10.759 1.00 61.54 C ATOM 673 C LYS A 40 -5.184 -2.716 10.655 1.00 2.13 C ATOM 674 O LYS A 40 -5.087 -1.911 11.585 1.00 31.31 O ATOM 675 CB LYS A 40 -5.349 -5.177 11.187 1.00 13.52 C ATOM 676 CG LYS A 40 -4.634 -5.050 12.529 1.00 70.04 C ATOM 677 CD LYS A 40 -3.951 -6.359 12.919 1.00 32.44 C ATOM 678 CE LYS A 40 -3.224 -6.253 14.254 1.00 12.41 C ATOM 679 NZ LYS A 40 -2.576 -7.538 14.623 1.00 53.52 N ATOM 0 H LYS A 40 -6.702 -5.156 9.156 1.00 41.33 H new ATOM 0 HA LYS A 40 -6.879 -3.679 11.510 1.00 61.54 H new ATOM 0 HB2 LYS A 40 -6.038 -6.020 11.235 1.00 13.52 H new ATOM 0 HB3 LYS A 40 -4.612 -5.411 10.418 1.00 13.52 H new ATOM 0 HG2 LYS A 40 -3.893 -4.253 12.475 1.00 70.04 H new ATOM 0 HG3 LYS A 40 -5.351 -4.767 13.300 1.00 70.04 H new ATOM 0 HD2 LYS A 40 -4.696 -7.153 12.975 1.00 32.44 H new ATOM 0 HD3 LYS A 40 -3.241 -6.642 12.142 1.00 32.44 H new ATOM 0 HE2 LYS A 40 -2.471 -5.467 14.198 1.00 12.41 H new ATOM 0 HE3 LYS A 40 -3.930 -5.963 15.032 1.00 12.41 H new ATOM 0 HZ1 LYS A 40 -2.090 -7.432 15.536 1.00 53.52 H new ATOM 0 HZ2 LYS A 40 -3.299 -8.282 14.700 1.00 53.52 H new ATOM 0 HZ3 LYS A 40 -1.885 -7.801 13.892 1.00 53.52 H new ATOM 693 N TYR A 41 -4.488 -2.586 9.525 1.00 53.32 N ATOM 694 CA TYR A 41 -3.608 -1.433 9.296 1.00 13.25 C ATOM 695 C TYR A 41 -4.416 -0.189 8.888 1.00 35.31 C ATOM 696 O TYR A 41 -4.096 0.928 9.296 1.00 33.32 O ATOM 697 CB TYR A 41 -2.553 -1.755 8.230 1.00 23.53 C ATOM 698 CG TYR A 41 -1.570 -2.834 8.649 1.00 3.41 C ATOM 699 CD1 TYR A 41 -0.479 -2.533 9.459 1.00 23.31 C ATOM 700 CD2 TYR A 41 -1.728 -4.146 8.228 1.00 43.03 C ATOM 701 CE1 TYR A 41 0.420 -3.514 9.834 1.00 25.14 C ATOM 702 CE2 TYR A 41 -0.836 -5.129 8.602 1.00 11.03 C ATOM 703 CZ TYR A 41 0.236 -4.810 9.402 1.00 34.11 C ATOM 704 OH TYR A 41 1.129 -5.792 9.764 1.00 62.14 O ATOM 0 H TYR A 41 -4.514 -3.258 8.758 1.00 53.32 H new ATOM 0 HA TYR A 41 -3.098 -1.215 10.235 1.00 13.25 H new ATOM 0 HB2 TYR A 41 -3.057 -2.070 7.316 1.00 23.53 H new ATOM 0 HB3 TYR A 41 -2.001 -0.846 7.992 1.00 23.53 H new ATOM 0 HD1 TYR A 41 -0.333 -1.519 9.799 1.00 23.31 H new ATOM 0 HD2 TYR A 41 -2.565 -4.403 7.596 1.00 43.03 H new ATOM 0 HE1 TYR A 41 1.263 -3.266 10.463 1.00 25.14 H new ATOM 0 HE2 TYR A 41 -0.979 -6.146 8.268 1.00 11.03 H new ATOM 0 HH TYR A 41 1.556 -6.158 8.961 1.00 62.14 H new ATOM 714 N LEU A 42 -5.472 -0.383 8.092 1.00 24.23 N ATOM 715 CA LEU A 42 -6.357 0.726 7.708 1.00 63.13 C ATOM 716 C LEU A 42 -6.979 1.395 8.943 1.00 60.13 C ATOM 717 O LEU A 42 -7.246 2.598 8.941 1.00 2.11 O ATOM 718 CB LEU A 42 -7.470 0.249 6.762 1.00 32.42 C ATOM 719 CG LEU A 42 -7.025 -0.123 5.339 1.00 41.44 C ATOM 720 CD1 LEU A 42 -8.231 -0.535 4.497 1.00 74.30 C ATOM 721 CD2 LEU A 42 -6.278 1.038 4.681 1.00 61.51 C ATOM 0 H LEU A 42 -5.735 -1.288 7.703 1.00 24.23 H new ATOM 0 HA LEU A 42 -5.743 1.459 7.184 1.00 63.13 H new ATOM 0 HB2 LEU A 42 -7.954 -0.619 7.210 1.00 32.42 H new ATOM 0 HB3 LEU A 42 -8.223 1.034 6.693 1.00 32.42 H new ATOM 0 HG LEU A 42 -6.341 -0.970 5.403 1.00 41.44 H new ATOM 0 HD11 LEU A 42 -7.901 -0.796 3.492 1.00 74.30 H new ATOM 0 HD12 LEU A 42 -8.717 -1.397 4.954 1.00 74.30 H new ATOM 0 HD13 LEU A 42 -8.937 0.293 4.443 1.00 74.30 H new ATOM 0 HD21 LEU A 42 -5.973 0.751 3.675 1.00 61.51 H new ATOM 0 HD22 LEU A 42 -6.932 1.908 4.627 1.00 61.51 H new ATOM 0 HD23 LEU A 42 -5.395 1.284 5.271 1.00 61.51 H new ATOM 733 N GLU A 43 -7.208 0.610 9.997 1.00 74.25 N ATOM 734 CA GLU A 43 -7.735 1.142 11.260 1.00 22.34 C ATOM 735 C GLU A 43 -6.786 2.190 11.868 1.00 73.14 C ATOM 736 O GLU A 43 -7.232 3.193 12.426 1.00 61.05 O ATOM 737 CB GLU A 43 -8.004 0.002 12.254 1.00 30.13 C ATOM 738 CG GLU A 43 -9.130 -0.935 11.806 1.00 1.12 C ATOM 739 CD GLU A 43 -9.454 -2.016 12.825 1.00 55.22 C ATOM 740 OE1 GLU A 43 -9.850 -1.668 13.958 1.00 13.34 O ATOM 741 OE2 GLU A 43 -9.311 -3.218 12.504 1.00 52.40 O ATOM 0 H GLU A 43 -7.038 -0.396 10.004 1.00 74.25 H new ATOM 0 HA GLU A 43 -8.680 1.642 11.045 1.00 22.34 H new ATOM 0 HB2 GLU A 43 -7.090 -0.577 12.389 1.00 30.13 H new ATOM 0 HB3 GLU A 43 -8.258 0.427 13.225 1.00 30.13 H new ATOM 0 HG2 GLU A 43 -10.027 -0.347 11.613 1.00 1.12 H new ATOM 0 HG3 GLU A 43 -8.848 -1.406 10.864 1.00 1.12 H new ATOM 748 N GLU A 44 -5.477 1.962 11.741 1.00 70.40 N ATOM 749 CA GLU A 44 -4.477 2.961 12.147 1.00 41.43 C ATOM 750 C GLU A 44 -4.574 4.213 11.263 1.00 73.13 C ATOM 751 O GLU A 44 -4.457 5.345 11.737 1.00 2.34 O ATOM 752 CB GLU A 44 -3.055 2.372 12.061 1.00 11.42 C ATOM 753 CG GLU A 44 -1.944 3.410 12.237 1.00 61.03 C ATOM 754 CD GLU A 44 -0.543 2.808 12.221 1.00 51.02 C ATOM 755 OE1 GLU A 44 -0.087 2.349 11.149 1.00 45.22 O ATOM 756 OE2 GLU A 44 0.118 2.806 13.278 1.00 24.22 O ATOM 0 H GLU A 44 -5.083 1.101 11.363 1.00 70.40 H new ATOM 0 HA GLU A 44 -4.681 3.241 13.180 1.00 41.43 H new ATOM 0 HB2 GLU A 44 -2.944 1.602 12.824 1.00 11.42 H new ATOM 0 HB3 GLU A 44 -2.932 1.883 11.095 1.00 11.42 H new ATOM 0 HG2 GLU A 44 -2.021 4.152 11.442 1.00 61.03 H new ATOM 0 HG3 GLU A 44 -2.095 3.936 13.180 1.00 61.03 H new ATOM 763 N PHE A 45 -4.801 3.993 9.974 1.00 75.12 N ATOM 764 CA PHE A 45 -4.879 5.082 8.995 1.00 4.54 C ATOM 765 C PHE A 45 -6.141 5.944 9.190 1.00 74.10 C ATOM 766 O PHE A 45 -6.148 7.135 8.874 1.00 20.23 O ATOM 767 CB PHE A 45 -4.848 4.503 7.573 1.00 0.33 C ATOM 768 CG PHE A 45 -3.614 3.678 7.259 1.00 30.42 C ATOM 769 CD1 PHE A 45 -2.590 3.523 8.192 1.00 2.25 C ATOM 770 CD2 PHE A 45 -3.480 3.055 6.029 1.00 34.30 C ATOM 771 CE1 PHE A 45 -1.471 2.769 7.898 1.00 75.54 C ATOM 772 CE2 PHE A 45 -2.360 2.302 5.733 1.00 25.55 C ATOM 773 CZ PHE A 45 -1.357 2.158 6.669 1.00 11.02 C ATOM 0 H PHE A 45 -4.936 3.064 9.575 1.00 75.12 H new ATOM 0 HA PHE A 45 -4.016 5.730 9.148 1.00 4.54 H new ATOM 0 HB2 PHE A 45 -5.732 3.882 7.427 1.00 0.33 H new ATOM 0 HB3 PHE A 45 -4.913 5.323 6.858 1.00 0.33 H new ATOM 0 HD1 PHE A 45 -2.673 3.999 9.158 1.00 2.25 H new ATOM 0 HD2 PHE A 45 -4.262 3.159 5.291 1.00 34.30 H new ATOM 0 HE1 PHE A 45 -0.686 2.659 8.631 1.00 75.54 H new ATOM 0 HE2 PHE A 45 -2.270 1.826 4.768 1.00 25.55 H new ATOM 0 HZ PHE A 45 -0.483 1.567 6.438 1.00 11.02 H new ATOM 783 N ARG A 46 -7.201 5.332 9.722 1.00 4.12 N ATOM 784 CA ARG A 46 -8.469 6.035 9.976 1.00 4.10 C ATOM 785 C ARG A 46 -8.304 7.205 10.960 1.00 62.45 C ATOM 786 O ARG A 46 -9.120 8.129 10.973 1.00 61.43 O ATOM 787 CB ARG A 46 -9.525 5.053 10.502 1.00 3.21 C ATOM 788 CG ARG A 46 -10.066 4.106 9.436 1.00 14.23 C ATOM 789 CD ARG A 46 -10.990 3.054 10.034 1.00 72.43 C ATOM 790 NE ARG A 46 -12.062 3.646 10.831 1.00 1.35 N ATOM 791 CZ ARG A 46 -12.573 3.091 11.896 1.00 13.40 C ATOM 792 NH1 ARG A 46 -12.139 1.946 12.310 1.00 1.33 N ATOM 793 NH2 ARG A 46 -13.512 3.693 12.547 1.00 53.42 N ATOM 0 H ARG A 46 -7.210 4.347 9.988 1.00 4.12 H new ATOM 0 HA ARG A 46 -8.799 6.453 9.025 1.00 4.10 H new ATOM 0 HB2 ARG A 46 -9.091 4.465 11.311 1.00 3.21 H new ATOM 0 HB3 ARG A 46 -10.354 5.618 10.928 1.00 3.21 H new ATOM 0 HG2 ARG A 46 -10.606 4.678 8.681 1.00 14.23 H new ATOM 0 HG3 ARG A 46 -9.235 3.615 8.930 1.00 14.23 H new ATOM 0 HD2 ARG A 46 -11.424 2.457 9.232 1.00 72.43 H new ATOM 0 HD3 ARG A 46 -10.409 2.375 10.658 1.00 72.43 H new ATOM 0 HE ARG A 46 -12.434 4.549 10.537 1.00 1.35 H new ATOM 0 HH11 ARG A 46 -11.392 1.470 11.804 1.00 1.33 H new ATOM 0 HH12 ARG A 46 -12.543 1.518 13.143 1.00 1.33 H new ATOM 0 HH21 ARG A 46 -13.853 4.600 12.229 1.00 53.42 H new ATOM 0 HH22 ARG A 46 -13.913 3.261 13.380 1.00 53.42 H new ATOM 807 N LYS A 47 -7.256 7.164 11.782 1.00 40.11 N ATOM 808 CA LYS A 47 -6.969 8.258 12.719 1.00 21.23 C ATOM 809 C LYS A 47 -6.823 9.599 11.975 1.00 44.20 C ATOM 810 O LYS A 47 -7.473 10.592 12.309 1.00 20.23 O ATOM 811 CB LYS A 47 -5.686 7.962 13.506 1.00 3.23 C ATOM 812 CG LYS A 47 -5.750 6.689 14.351 1.00 1.31 C ATOM 813 CD LYS A 47 -4.425 6.413 15.060 1.00 60.15 C ATOM 814 CE LYS A 47 -4.040 7.544 16.007 1.00 21.43 C ATOM 815 NZ LYS A 47 -2.730 7.303 16.666 1.00 63.11 N ATOM 0 H LYS A 47 -6.592 6.390 11.821 1.00 40.11 H new ATOM 0 HA LYS A 47 -7.807 8.335 13.412 1.00 21.23 H new ATOM 0 HB2 LYS A 47 -4.855 7.879 12.806 1.00 3.23 H new ATOM 0 HB3 LYS A 47 -5.470 8.808 14.159 1.00 3.23 H new ATOM 0 HG2 LYS A 47 -6.545 6.783 15.090 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -6.005 5.842 13.714 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -4.500 5.481 15.620 1.00 60.15 H new ATOM 0 HD3 LYS A 47 -3.638 6.277 14.318 1.00 60.15 H new ATOM 0 HE2 LYS A 47 -3.999 8.482 15.453 1.00 21.43 H new ATOM 0 HE3 LYS A 47 -4.812 7.657 16.768 1.00 21.43 H new ATOM 0 HZ1 LYS A 47 -2.509 8.097 17.300 1.00 63.11 H new ATOM 0 HZ2 LYS A 47 -2.775 6.422 17.217 1.00 63.11 H new ATOM 0 HZ3 LYS A 47 -1.987 7.221 15.943 1.00 63.11 H new ATOM 829 N GLU A 48 -5.992 9.600 10.936 1.00 63.51 N ATOM 830 CA GLU A 48 -5.703 10.813 10.159 1.00 74.02 C ATOM 831 C GLU A 48 -6.544 10.882 8.874 1.00 45.20 C ATOM 832 O GLU A 48 -6.166 11.552 7.908 1.00 3.22 O ATOM 833 CB GLU A 48 -4.207 10.854 9.818 1.00 65.13 C ATOM 834 CG GLU A 48 -3.297 10.847 11.045 1.00 14.45 C ATOM 835 CD GLU A 48 -3.475 12.078 11.920 1.00 31.00 C ATOM 836 OE1 GLU A 48 -2.846 13.120 11.622 1.00 60.45 O ATOM 837 OE2 GLU A 48 -4.236 12.014 12.906 1.00 40.40 O ATOM 0 H GLU A 48 -5.501 8.769 10.607 1.00 63.51 H new ATOM 0 HA GLU A 48 -5.968 11.678 10.766 1.00 74.02 H new ATOM 0 HB2 GLU A 48 -3.963 9.997 9.191 1.00 65.13 H new ATOM 0 HB3 GLU A 48 -4.002 11.748 9.230 1.00 65.13 H new ATOM 0 HG2 GLU A 48 -3.500 9.954 11.637 1.00 14.45 H new ATOM 0 HG3 GLU A 48 -2.258 10.785 10.721 1.00 14.45 H new ATOM 844 N SER A 49 -7.710 10.228 8.894 1.00 23.14 N ATOM 845 CA SER A 49 -8.615 10.153 7.725 1.00 11.21 C ATOM 846 C SER A 49 -8.885 11.523 7.079 1.00 3.33 C ATOM 847 O SER A 49 -9.303 11.601 5.924 1.00 34.42 O ATOM 848 CB SER A 49 -9.949 9.519 8.140 1.00 31.43 C ATOM 849 OG SER A 49 -10.557 10.249 9.198 1.00 74.41 O ATOM 0 H SER A 49 -8.059 9.734 9.715 1.00 23.14 H new ATOM 0 HA SER A 49 -8.110 9.538 6.980 1.00 11.21 H new ATOM 0 HB2 SER A 49 -10.622 9.487 7.283 1.00 31.43 H new ATOM 0 HB3 SER A 49 -9.783 8.488 8.454 1.00 31.43 H new ATOM 0 HG SER A 49 -10.331 9.832 10.055 1.00 74.41 H new ATOM 855 N GLN A 50 -8.640 12.594 7.826 1.00 31.31 N ATOM 856 CA GLN A 50 -8.867 13.960 7.341 1.00 34.03 C ATOM 857 C GLN A 50 -7.946 14.316 6.156 1.00 11.14 C ATOM 858 O GLN A 50 -8.401 14.836 5.139 1.00 31.13 O ATOM 859 CB GLN A 50 -8.642 14.962 8.482 1.00 33.02 C ATOM 860 CG GLN A 50 -9.366 14.604 9.777 1.00 40.31 C ATOM 861 CD GLN A 50 -10.881 14.545 9.626 1.00 32.52 C ATOM 862 OE1 GLN A 50 -11.469 15.233 8.798 1.00 32.13 O ATOM 863 NE2 GLN A 50 -11.522 13.714 10.420 1.00 53.34 N ATOM 0 H GLN A 50 -8.281 12.546 8.779 1.00 31.31 H new ATOM 0 HA GLN A 50 -9.898 14.014 6.990 1.00 34.03 H new ATOM 0 HB2 GLN A 50 -7.573 15.033 8.683 1.00 33.02 H new ATOM 0 HB3 GLN A 50 -8.971 15.948 8.155 1.00 33.02 H new ATOM 0 HG2 GLN A 50 -9.006 13.638 10.131 1.00 40.31 H new ATOM 0 HG3 GLN A 50 -9.113 15.339 10.541 1.00 40.31 H new ATOM 0 HE21 GLN A 50 -11.004 13.155 11.098 1.00 53.34 H new ATOM 0 HE22 GLN A 50 -12.536 13.629 10.357 1.00 53.34 H new ATOM 872 N ASN A 51 -6.645 14.030 6.295 1.00 60.24 N ATOM 873 CA ASN A 51 -5.650 14.430 5.280 1.00 13.00 C ATOM 874 C ASN A 51 -4.759 13.254 4.831 1.00 34.31 C ATOM 875 O ASN A 51 -3.705 13.462 4.227 1.00 41.14 O ATOM 876 CB ASN A 51 -4.755 15.554 5.830 1.00 55.13 C ATOM 877 CG ASN A 51 -5.545 16.738 6.360 1.00 63.21 C ATOM 878 OD1 ASN A 51 -5.880 17.661 5.627 1.00 51.14 O ATOM 879 ND2 ASN A 51 -5.824 16.736 7.649 1.00 4.05 N ATOM 0 H ASN A 51 -6.255 13.527 7.092 1.00 60.24 H new ATOM 0 HA ASN A 51 -6.209 14.779 4.412 1.00 13.00 H new ATOM 0 HB2 ASN A 51 -4.130 15.155 6.629 1.00 55.13 H new ATOM 0 HB3 ASN A 51 -4.085 15.896 5.041 1.00 55.13 H new ATOM 0 HD21 ASN A 51 -6.332 17.518 8.062 1.00 4.05 H new ATOM 0 HD22 ASN A 51 -5.531 15.953 8.233 1.00 4.05 H new ATOM 886 N ILE A 52 -5.181 12.023 5.108 1.00 44.53 N ATOM 887 CA ILE A 52 -4.357 10.846 4.797 1.00 53.11 C ATOM 888 C ILE A 52 -4.680 10.256 3.411 1.00 54.41 C ATOM 889 O ILE A 52 -5.818 10.314 2.940 1.00 14.51 O ATOM 890 CB ILE A 52 -4.525 9.741 5.872 1.00 40.24 C ATOM 891 CG1 ILE A 52 -3.428 8.675 5.724 1.00 23.13 C ATOM 892 CG2 ILE A 52 -5.910 9.098 5.782 1.00 31.32 C ATOM 893 CD1 ILE A 52 -3.479 7.602 6.787 1.00 3.24 C ATOM 0 H ILE A 52 -6.079 11.810 5.543 1.00 44.53 H new ATOM 0 HA ILE A 52 -3.324 11.193 4.791 1.00 53.11 H new ATOM 0 HB ILE A 52 -4.429 10.205 6.853 1.00 40.24 H new ATOM 0 HG12 ILE A 52 -3.517 8.208 4.743 1.00 23.13 H new ATOM 0 HG13 ILE A 52 -2.453 9.162 5.758 1.00 23.13 H new ATOM 0 HG21 ILE A 52 -6.003 8.326 6.546 1.00 31.32 H new ATOM 0 HG22 ILE A 52 -6.675 9.858 5.939 1.00 31.32 H new ATOM 0 HG23 ILE A 52 -6.040 8.650 4.797 1.00 31.32 H new ATOM 0 HD11 ILE A 52 -2.676 6.885 6.619 1.00 3.24 H new ATOM 0 HD12 ILE A 52 -3.359 8.058 7.770 1.00 3.24 H new ATOM 0 HD13 ILE A 52 -4.439 7.089 6.740 1.00 3.24 H new ATOM 905 N LYS A 53 -3.658 9.711 2.751 1.00 73.51 N ATOM 906 CA LYS A 53 -3.815 9.014 1.466 1.00 13.23 C ATOM 907 C LYS A 53 -3.003 7.711 1.478 1.00 5.12 C ATOM 908 O LYS A 53 -1.851 7.701 1.909 1.00 35.21 O ATOM 909 CB LYS A 53 -3.331 9.910 0.315 1.00 50.42 C ATOM 910 CG LYS A 53 -3.997 11.291 0.257 1.00 62.43 C ATOM 911 CD LYS A 53 -5.109 11.375 -0.793 1.00 2.53 C ATOM 912 CE LYS A 53 -6.324 10.510 -0.459 1.00 61.13 C ATOM 913 NZ LYS A 53 -7.094 11.018 0.714 1.00 24.32 N ATOM 0 H LYS A 53 -2.696 9.738 3.089 1.00 73.51 H new ATOM 0 HA LYS A 53 -4.870 8.783 1.319 1.00 13.23 H new ATOM 0 HB2 LYS A 53 -2.253 10.045 0.405 1.00 50.42 H new ATOM 0 HB3 LYS A 53 -3.510 9.395 -0.629 1.00 50.42 H new ATOM 0 HG2 LYS A 53 -4.411 11.530 1.237 1.00 62.43 H new ATOM 0 HG3 LYS A 53 -3.240 12.044 0.038 1.00 62.43 H new ATOM 0 HD2 LYS A 53 -5.427 12.413 -0.893 1.00 2.53 H new ATOM 0 HD3 LYS A 53 -4.709 11.070 -1.760 1.00 2.53 H new ATOM 0 HE2 LYS A 53 -6.982 10.465 -1.327 1.00 61.13 H new ATOM 0 HE3 LYS A 53 -5.994 9.491 -0.257 1.00 61.13 H new ATOM 0 HZ1 LYS A 53 -8.020 10.547 0.752 1.00 24.32 H new ATOM 0 HZ2 LYS A 53 -6.568 10.817 1.588 1.00 24.32 H new ATOM 0 HZ3 LYS A 53 -7.231 12.045 0.621 1.00 24.32 H new ATOM 927 N VAL A 54 -3.595 6.614 1.009 1.00 62.21 N ATOM 928 CA VAL A 54 -2.928 5.304 1.059 1.00 34.53 C ATOM 929 C VAL A 54 -2.589 4.767 -0.344 1.00 23.02 C ATOM 930 O VAL A 54 -3.354 4.937 -1.293 1.00 43.40 O ATOM 931 CB VAL A 54 -3.809 4.264 1.795 1.00 55.02 C ATOM 932 CG1 VAL A 54 -3.077 2.931 1.958 1.00 23.33 C ATOM 933 CG2 VAL A 54 -4.270 4.801 3.150 1.00 40.33 C ATOM 0 H VAL A 54 -4.526 6.600 0.593 1.00 62.21 H new ATOM 0 HA VAL A 54 -1.996 5.454 1.605 1.00 34.53 H new ATOM 0 HB VAL A 54 -4.692 4.085 1.182 1.00 55.02 H new ATOM 0 HG11 VAL A 54 -3.722 2.223 2.478 1.00 23.33 H new ATOM 0 HG12 VAL A 54 -2.820 2.534 0.976 1.00 23.33 H new ATOM 0 HG13 VAL A 54 -2.166 3.085 2.537 1.00 23.33 H new ATOM 0 HG21 VAL A 54 -4.887 4.053 3.647 1.00 40.33 H new ATOM 0 HG22 VAL A 54 -3.400 5.023 3.768 1.00 40.33 H new ATOM 0 HG23 VAL A 54 -4.852 5.711 3.002 1.00 40.33 H new ATOM 943 N LEU A 55 -1.427 4.126 -0.458 1.00 13.45 N ATOM 944 CA LEU A 55 -1.004 3.437 -1.685 1.00 62.33 C ATOM 945 C LEU A 55 -0.827 1.936 -1.413 1.00 51.35 C ATOM 946 O LEU A 55 0.000 1.548 -0.595 1.00 34.12 O ATOM 947 CB LEU A 55 0.324 4.027 -2.181 1.00 51.24 C ATOM 948 CG LEU A 55 0.912 3.368 -3.444 1.00 22.32 C ATOM 949 CD1 LEU A 55 0.092 3.726 -4.681 1.00 3.52 C ATOM 950 CD2 LEU A 55 2.377 3.757 -3.628 1.00 23.41 C ATOM 0 H LEU A 55 -0.746 4.067 0.299 1.00 13.45 H new ATOM 0 HA LEU A 55 -1.770 3.575 -2.448 1.00 62.33 H new ATOM 0 HB2 LEU A 55 0.178 5.089 -2.381 1.00 51.24 H new ATOM 0 HB3 LEU A 55 1.057 3.952 -1.378 1.00 51.24 H new ATOM 0 HG LEU A 55 0.864 2.287 -3.313 1.00 22.32 H new ATOM 0 HD11 LEU A 55 0.529 3.248 -5.558 1.00 3.52 H new ATOM 0 HD12 LEU A 55 -0.933 3.379 -4.551 1.00 3.52 H new ATOM 0 HD13 LEU A 55 0.094 4.807 -4.818 1.00 3.52 H new ATOM 0 HD21 LEU A 55 2.770 3.280 -4.526 1.00 23.41 H new ATOM 0 HD22 LEU A 55 2.456 4.840 -3.728 1.00 23.41 H new ATOM 0 HD23 LEU A 55 2.952 3.430 -2.762 1.00 23.41 H new ATOM 962 N ILE A 56 -1.595 1.090 -2.095 1.00 73.55 N ATOM 963 CA ILE A 56 -1.543 -0.359 -1.851 1.00 65.53 C ATOM 964 C ILE A 56 -0.956 -1.117 -3.051 1.00 2.15 C ATOM 965 O ILE A 56 -1.415 -0.962 -4.179 1.00 14.12 O ATOM 966 CB ILE A 56 -2.949 -0.928 -1.531 1.00 42.41 C ATOM 967 CG1 ILE A 56 -3.574 -0.179 -0.342 1.00 41.22 C ATOM 968 CG2 ILE A 56 -2.870 -2.429 -1.240 1.00 72.20 C ATOM 969 CD1 ILE A 56 -4.945 -0.687 0.053 1.00 73.22 C ATOM 0 H ILE A 56 -2.258 1.374 -2.817 1.00 73.55 H new ATOM 0 HA ILE A 56 -0.891 -0.504 -0.989 1.00 65.53 H new ATOM 0 HB ILE A 56 -3.586 -0.782 -2.404 1.00 42.41 H new ATOM 0 HG12 ILE A 56 -2.907 -0.259 0.516 1.00 41.22 H new ATOM 0 HG13 ILE A 56 -3.648 0.880 -0.591 1.00 41.22 H new ATOM 0 HG21 ILE A 56 -3.867 -2.809 -1.018 1.00 72.20 H new ATOM 0 HG22 ILE A 56 -2.469 -2.948 -2.111 1.00 72.20 H new ATOM 0 HG23 ILE A 56 -2.217 -2.600 -0.384 1.00 72.20 H new ATOM 0 HD11 ILE A 56 -5.318 -0.108 0.898 1.00 73.22 H new ATOM 0 HD12 ILE A 56 -5.629 -0.581 -0.789 1.00 73.22 H new ATOM 0 HD13 ILE A 56 -4.876 -1.738 0.335 1.00 73.22 H new ATOM 981 N LEU A 57 0.063 -1.936 -2.796 1.00 2.01 N ATOM 982 CA LEU A 57 0.680 -2.772 -3.836 1.00 52.34 C ATOM 983 C LEU A 57 0.391 -4.258 -3.571 1.00 74.24 C ATOM 984 O LEU A 57 0.838 -4.813 -2.570 1.00 4.40 O ATOM 985 CB LEU A 57 2.203 -2.544 -3.891 1.00 24.21 C ATOM 986 CG LEU A 57 2.674 -1.180 -4.436 1.00 32.51 C ATOM 987 CD1 LEU A 57 2.073 -0.905 -5.812 1.00 42.24 C ATOM 988 CD2 LEU A 57 2.352 -0.044 -3.466 1.00 21.24 C ATOM 0 H LEU A 57 0.484 -2.042 -1.873 1.00 2.01 H new ATOM 0 HA LEU A 57 0.248 -2.488 -4.795 1.00 52.34 H new ATOM 0 HB2 LEU A 57 2.603 -2.666 -2.884 1.00 24.21 H new ATOM 0 HB3 LEU A 57 2.644 -3.328 -4.507 1.00 24.21 H new ATOM 0 HG LEU A 57 3.758 -1.227 -4.539 1.00 32.51 H new ATOM 0 HD11 LEU A 57 2.421 0.063 -6.174 1.00 42.24 H new ATOM 0 HD12 LEU A 57 2.383 -1.685 -6.507 1.00 42.24 H new ATOM 0 HD13 LEU A 57 0.986 -0.896 -5.739 1.00 42.24 H new ATOM 0 HD21 LEU A 57 2.699 0.901 -3.884 1.00 21.24 H new ATOM 0 HD22 LEU A 57 1.275 0.004 -3.306 1.00 21.24 H new ATOM 0 HD23 LEU A 57 2.852 -0.225 -2.515 1.00 21.24 H new ATOM 1000 N VAL A 58 -0.354 -4.896 -4.469 1.00 14.11 N ATOM 1001 CA VAL A 58 -0.731 -6.309 -4.302 1.00 70.02 C ATOM 1002 C VAL A 58 -0.042 -7.213 -5.340 1.00 20.53 C ATOM 1003 O VAL A 58 0.372 -6.750 -6.399 1.00 23.14 O ATOM 1004 CB VAL A 58 -2.265 -6.494 -4.410 1.00 21.13 C ATOM 1005 CG1 VAL A 58 -2.990 -5.614 -3.394 1.00 21.34 C ATOM 1006 CG2 VAL A 58 -2.754 -6.208 -5.827 1.00 13.00 C ATOM 0 H VAL A 58 -0.712 -4.464 -5.321 1.00 14.11 H new ATOM 0 HA VAL A 58 -0.398 -6.603 -3.307 1.00 70.02 H new ATOM 0 HB VAL A 58 -2.495 -7.535 -4.182 1.00 21.13 H new ATOM 0 HG11 VAL A 58 -4.066 -5.760 -3.488 1.00 21.34 H new ATOM 0 HG12 VAL A 58 -2.674 -5.885 -2.387 1.00 21.34 H new ATOM 0 HG13 VAL A 58 -2.748 -4.568 -3.581 1.00 21.34 H new ATOM 0 HG21 VAL A 58 -3.834 -6.346 -5.874 1.00 13.00 H new ATOM 0 HG22 VAL A 58 -2.507 -5.181 -6.097 1.00 13.00 H new ATOM 0 HG23 VAL A 58 -2.271 -6.893 -6.524 1.00 13.00 H new ATOM 1016 N SER A 59 0.071 -8.505 -5.029 1.00 11.23 N ATOM 1017 CA SER A 59 0.731 -9.465 -5.932 1.00 0.21 C ATOM 1018 C SER A 59 -0.201 -9.963 -7.054 1.00 54.30 C ATOM 1019 O SER A 59 0.230 -10.130 -8.195 1.00 0.21 O ATOM 1020 CB SER A 59 1.264 -10.669 -5.139 1.00 60.40 C ATOM 1021 OG SER A 59 1.926 -11.605 -5.982 1.00 1.12 O ATOM 0 H SER A 59 -0.282 -8.915 -4.164 1.00 11.23 H new ATOM 0 HA SER A 59 1.558 -8.932 -6.401 1.00 0.21 H new ATOM 0 HB2 SER A 59 1.954 -10.321 -4.370 1.00 60.40 H new ATOM 0 HB3 SER A 59 0.438 -11.162 -4.627 1.00 60.40 H new ATOM 0 HG SER A 59 2.253 -12.356 -5.444 1.00 1.12 H new ATOM 1027 N ASN A 60 -1.474 -10.210 -6.732 1.00 15.52 N ATOM 1028 CA ASN A 60 -2.427 -10.762 -7.715 1.00 24.11 C ATOM 1029 C ASN A 60 -3.749 -9.979 -7.756 1.00 21.22 C ATOM 1030 O ASN A 60 -3.992 -9.087 -6.945 1.00 25.50 O ATOM 1031 CB ASN A 60 -2.726 -12.232 -7.405 1.00 62.33 C ATOM 1032 CG ASN A 60 -1.471 -13.067 -7.267 1.00 70.24 C ATOM 1033 OD1 ASN A 60 -0.963 -13.615 -8.241 1.00 55.51 O ATOM 1034 ND2 ASN A 60 -0.966 -13.177 -6.056 1.00 21.41 N ATOM 0 H ASN A 60 -1.872 -10.040 -5.808 1.00 15.52 H new ATOM 0 HA ASN A 60 -1.951 -10.673 -8.692 1.00 24.11 H new ATOM 0 HB2 ASN A 60 -3.302 -12.294 -6.482 1.00 62.33 H new ATOM 0 HB3 ASN A 60 -3.348 -12.647 -8.198 1.00 62.33 H new ATOM 0 HD21 ASN A 60 -0.124 -13.732 -5.903 1.00 21.41 H new ATOM 0 HD22 ASN A 60 -1.416 -12.707 -5.271 1.00 21.41 H new ATOM 1041 N ASP A 61 -4.608 -10.347 -8.704 1.00 71.12 N ATOM 1042 CA ASP A 61 -5.910 -9.696 -8.895 1.00 42.35 C ATOM 1043 C ASP A 61 -6.890 -10.005 -7.748 1.00 50.01 C ATOM 1044 O ASP A 61 -7.821 -9.241 -7.492 1.00 51.20 O ATOM 1045 CB ASP A 61 -6.509 -10.141 -10.232 1.00 64.52 C ATOM 1046 CG ASP A 61 -5.574 -9.847 -11.393 1.00 44.23 C ATOM 1047 OD1 ASP A 61 -4.609 -10.615 -11.595 1.00 70.21 O ATOM 1048 OD2 ASP A 61 -5.784 -8.836 -12.095 1.00 11.21 O ATOM 0 H ASP A 61 -4.425 -11.104 -9.363 1.00 71.12 H new ATOM 0 HA ASP A 61 -5.748 -8.618 -8.897 1.00 42.35 H new ATOM 0 HB2 ASP A 61 -6.722 -11.210 -10.198 1.00 64.52 H new ATOM 0 HB3 ASP A 61 -7.459 -9.632 -10.392 1.00 64.52 H new ATOM 1053 N GLU A 62 -6.680 -11.128 -7.067 1.00 42.40 N ATOM 1054 CA GLU A 62 -7.570 -11.546 -5.975 1.00 40.34 C ATOM 1055 C GLU A 62 -7.428 -10.600 -4.763 1.00 22.23 C ATOM 1056 O GLU A 62 -8.411 -10.014 -4.295 1.00 73.25 O ATOM 1057 CB GLU A 62 -7.244 -13.006 -5.593 1.00 51.22 C ATOM 1058 CG GLU A 62 -8.344 -13.742 -4.819 1.00 24.41 C ATOM 1059 CD GLU A 62 -8.448 -13.329 -3.358 1.00 31.22 C ATOM 1060 OE1 GLU A 62 -7.454 -13.495 -2.620 1.00 63.12 O ATOM 1061 OE2 GLU A 62 -9.530 -12.872 -2.936 1.00 33.31 O ATOM 0 H GLU A 62 -5.905 -11.767 -7.247 1.00 42.40 H new ATOM 0 HA GLU A 62 -8.607 -11.491 -6.305 1.00 40.34 H new ATOM 0 HB2 GLU A 62 -7.029 -13.563 -6.505 1.00 51.22 H new ATOM 0 HB3 GLU A 62 -6.334 -13.013 -4.993 1.00 51.22 H new ATOM 0 HG2 GLU A 62 -9.302 -13.561 -5.307 1.00 24.41 H new ATOM 0 HG3 GLU A 62 -8.157 -14.815 -4.871 1.00 24.41 H new ATOM 1068 N GLU A 63 -6.193 -10.418 -4.290 1.00 33.01 N ATOM 1069 CA GLU A 63 -5.907 -9.450 -3.219 1.00 35.33 C ATOM 1070 C GLU A 63 -6.226 -8.012 -3.665 1.00 41.13 C ATOM 1071 O GLU A 63 -6.609 -7.171 -2.855 1.00 1.45 O ATOM 1072 CB GLU A 63 -4.440 -9.542 -2.744 1.00 21.41 C ATOM 1073 CG GLU A 63 -3.409 -9.802 -3.847 1.00 53.21 C ATOM 1074 CD GLU A 63 -3.034 -11.271 -3.988 1.00 45.11 C ATOM 1075 OE1 GLU A 63 -3.891 -12.068 -4.413 1.00 63.32 O ATOM 1076 OE2 GLU A 63 -1.876 -11.632 -3.679 1.00 12.13 O ATOM 0 H GLU A 63 -5.375 -10.925 -4.628 1.00 33.01 H new ATOM 0 HA GLU A 63 -6.554 -9.706 -2.380 1.00 35.33 H new ATOM 0 HB2 GLU A 63 -4.180 -8.612 -2.239 1.00 21.41 H new ATOM 0 HB3 GLU A 63 -4.364 -10.339 -2.004 1.00 21.41 H new ATOM 0 HG2 GLU A 63 -3.805 -9.443 -4.797 1.00 53.21 H new ATOM 0 HG3 GLU A 63 -2.509 -9.223 -3.637 1.00 53.21 H new ATOM 1083 N LEU A 64 -6.052 -7.746 -4.958 1.00 54.33 N ATOM 1084 CA LEU A 64 -6.380 -6.440 -5.549 1.00 0.34 C ATOM 1085 C LEU A 64 -7.828 -6.025 -5.243 1.00 53.12 C ATOM 1086 O LEU A 64 -8.081 -4.940 -4.707 1.00 62.24 O ATOM 1087 CB LEU A 64 -6.164 -6.509 -7.068 1.00 61.21 C ATOM 1088 CG LEU A 64 -6.480 -5.228 -7.863 1.00 51.32 C ATOM 1089 CD1 LEU A 64 -5.490 -4.117 -7.527 1.00 33.33 C ATOM 1090 CD2 LEU A 64 -6.486 -5.515 -9.364 1.00 63.41 C ATOM 0 H LEU A 64 -5.682 -8.422 -5.626 1.00 54.33 H new ATOM 0 HA LEU A 64 -5.724 -5.688 -5.109 1.00 0.34 H new ATOM 0 HB2 LEU A 64 -5.124 -6.779 -7.253 1.00 61.21 H new ATOM 0 HB3 LEU A 64 -6.778 -7.317 -7.464 1.00 61.21 H new ATOM 0 HG LEU A 64 -7.475 -4.887 -7.575 1.00 51.32 H new ATOM 0 HD11 LEU A 64 -5.736 -3.224 -8.102 1.00 33.33 H new ATOM 0 HD12 LEU A 64 -5.546 -3.890 -6.462 1.00 33.33 H new ATOM 0 HD13 LEU A 64 -4.480 -4.442 -7.776 1.00 33.33 H new ATOM 0 HD21 LEU A 64 -6.711 -4.598 -9.909 1.00 63.41 H new ATOM 0 HD22 LEU A 64 -5.507 -5.886 -9.667 1.00 63.41 H new ATOM 0 HD23 LEU A 64 -7.244 -6.265 -9.588 1.00 63.41 H new ATOM 1102 N ASP A 65 -8.771 -6.903 -5.573 1.00 20.32 N ATOM 1103 CA ASP A 65 -10.191 -6.617 -5.367 1.00 11.41 C ATOM 1104 C ASP A 65 -10.531 -6.508 -3.866 1.00 63.00 C ATOM 1105 O ASP A 65 -11.323 -5.656 -3.459 1.00 24.11 O ATOM 1106 CB ASP A 65 -11.045 -7.699 -6.038 1.00 73.14 C ATOM 1107 CG ASP A 65 -12.489 -7.261 -6.209 1.00 33.55 C ATOM 1108 OD1 ASP A 65 -12.797 -6.611 -7.235 1.00 30.12 O ATOM 1109 OD2 ASP A 65 -13.321 -7.552 -5.321 1.00 60.22 O ATOM 0 H ASP A 65 -8.580 -7.817 -5.983 1.00 20.32 H new ATOM 0 HA ASP A 65 -10.415 -5.653 -5.825 1.00 11.41 H new ATOM 0 HB2 ASP A 65 -10.622 -7.942 -7.013 1.00 73.14 H new ATOM 0 HB3 ASP A 65 -11.011 -8.610 -5.440 1.00 73.14 H new ATOM 1114 N LYS A 66 -9.918 -7.359 -3.041 1.00 4.03 N ATOM 1115 CA LYS A 66 -10.155 -7.322 -1.590 1.00 44.10 C ATOM 1116 C LYS A 66 -9.618 -6.030 -0.951 1.00 10.32 C ATOM 1117 O LYS A 66 -10.285 -5.413 -0.115 1.00 64.21 O ATOM 1118 CB LYS A 66 -9.529 -8.544 -0.900 1.00 2.04 C ATOM 1119 CG LYS A 66 -10.063 -9.893 -1.391 1.00 22.14 C ATOM 1120 CD LYS A 66 -11.588 -9.916 -1.499 1.00 52.14 C ATOM 1121 CE LYS A 66 -12.274 -9.444 -0.224 1.00 65.11 C ATOM 1122 NZ LYS A 66 -13.741 -9.310 -0.406 1.00 70.42 N ATOM 0 H LYS A 66 -9.260 -8.076 -3.345 1.00 4.03 H new ATOM 0 HA LYS A 66 -11.235 -7.345 -1.446 1.00 44.10 H new ATOM 0 HB2 LYS A 66 -8.450 -8.518 -1.051 1.00 2.04 H new ATOM 0 HB3 LYS A 66 -9.702 -8.468 0.173 1.00 2.04 H new ATOM 0 HG2 LYS A 66 -9.630 -10.118 -2.365 1.00 22.14 H new ATOM 0 HG3 LYS A 66 -9.739 -10.679 -0.708 1.00 22.14 H new ATOM 0 HD2 LYS A 66 -11.899 -9.283 -2.330 1.00 52.14 H new ATOM 0 HD3 LYS A 66 -11.917 -10.929 -1.730 1.00 52.14 H new ATOM 0 HE2 LYS A 66 -12.070 -10.150 0.581 1.00 65.11 H new ATOM 0 HE3 LYS A 66 -11.856 -8.484 0.080 1.00 65.11 H new ATOM 0 HZ1 LYS A 66 -14.127 -8.686 0.331 1.00 70.42 H new ATOM 0 HZ2 LYS A 66 -13.939 -8.903 -1.343 1.00 70.42 H new ATOM 0 HZ3 LYS A 66 -14.187 -10.247 -0.334 1.00 70.42 H new ATOM 1136 N ALA A 67 -8.416 -5.625 -1.357 1.00 44.55 N ATOM 1137 CA ALA A 67 -7.788 -4.404 -0.837 1.00 32.52 C ATOM 1138 C ALA A 67 -8.681 -3.173 -1.053 1.00 61.50 C ATOM 1139 O ALA A 67 -8.858 -2.354 -0.148 1.00 41.34 O ATOM 1140 CB ALA A 67 -6.421 -4.192 -1.484 1.00 70.13 C ATOM 0 H ALA A 67 -7.853 -6.124 -2.046 1.00 44.55 H new ATOM 0 HA ALA A 67 -7.655 -4.531 0.237 1.00 32.52 H new ATOM 0 HB1 ALA A 67 -5.968 -3.283 -1.088 1.00 70.13 H new ATOM 0 HB2 ALA A 67 -5.778 -5.044 -1.263 1.00 70.13 H new ATOM 0 HB3 ALA A 67 -6.540 -4.098 -2.563 1.00 70.13 H new ATOM 1146 N LYS A 68 -9.247 -3.045 -2.253 1.00 4.41 N ATOM 1147 CA LYS A 68 -10.156 -1.929 -2.549 1.00 13.30 C ATOM 1148 C LYS A 68 -11.518 -2.099 -1.848 1.00 35.44 C ATOM 1149 O LYS A 68 -12.175 -1.115 -1.515 1.00 52.22 O ATOM 1150 CB LYS A 68 -10.352 -1.764 -4.064 1.00 14.33 C ATOM 1151 CG LYS A 68 -10.963 -2.979 -4.755 1.00 43.15 C ATOM 1152 CD LYS A 68 -11.244 -2.716 -6.232 1.00 45.23 C ATOM 1153 CE LYS A 68 -12.273 -1.607 -6.425 1.00 3.10 C ATOM 1154 NZ LYS A 68 -12.564 -1.357 -7.863 1.00 30.05 N ATOM 0 H LYS A 68 -9.097 -3.689 -3.029 1.00 4.41 H new ATOM 0 HA LYS A 68 -9.690 -1.025 -2.158 1.00 13.30 H new ATOM 0 HB2 LYS A 68 -10.991 -0.899 -4.244 1.00 14.33 H new ATOM 0 HB3 LYS A 68 -9.387 -1.548 -4.522 1.00 14.33 H new ATOM 0 HG2 LYS A 68 -10.286 -3.828 -4.660 1.00 43.15 H new ATOM 0 HG3 LYS A 68 -11.891 -3.253 -4.253 1.00 43.15 H new ATOM 0 HD2 LYS A 68 -10.317 -2.443 -6.735 1.00 45.23 H new ATOM 0 HD3 LYS A 68 -11.604 -3.631 -6.702 1.00 45.23 H new ATOM 0 HE2 LYS A 68 -13.196 -1.876 -5.910 1.00 3.10 H new ATOM 0 HE3 LYS A 68 -11.907 -0.689 -5.965 1.00 3.10 H new ATOM 0 HZ1 LYS A 68 -13.268 -0.596 -7.948 1.00 30.05 H new ATOM 0 HZ2 LYS A 68 -11.689 -1.075 -8.350 1.00 30.05 H new ATOM 0 HZ3 LYS A 68 -12.938 -2.225 -8.297 1.00 30.05 H new ATOM 1168 N GLU A 69 -11.942 -3.348 -1.626 1.00 51.15 N ATOM 1169 CA GLU A 69 -13.182 -3.626 -0.882 1.00 72.10 C ATOM 1170 C GLU A 69 -13.144 -3.013 0.524 1.00 55.31 C ATOM 1171 O GLU A 69 -13.955 -2.146 0.851 1.00 13.21 O ATOM 1172 CB GLU A 69 -13.432 -5.141 -0.781 1.00 4.34 C ATOM 1173 CG GLU A 69 -14.145 -5.738 -1.989 1.00 22.43 C ATOM 1174 CD GLU A 69 -15.562 -5.207 -2.139 1.00 2.32 C ATOM 1175 OE1 GLU A 69 -16.449 -5.642 -1.371 1.00 73.24 O ATOM 1176 OE2 GLU A 69 -15.796 -4.344 -3.014 1.00 31.23 O ATOM 0 H GLU A 69 -11.449 -4.181 -1.948 1.00 51.15 H new ATOM 0 HA GLU A 69 -14.000 -3.166 -1.436 1.00 72.10 H new ATOM 0 HB2 GLU A 69 -12.476 -5.648 -0.650 1.00 4.34 H new ATOM 0 HB3 GLU A 69 -14.024 -5.342 0.112 1.00 4.34 H new ATOM 0 HG2 GLU A 69 -13.577 -5.513 -2.892 1.00 22.43 H new ATOM 0 HG3 GLU A 69 -14.174 -6.823 -1.892 1.00 22.43 H new ATOM 1183 N LEU A 70 -12.195 -3.463 1.345 1.00 44.04 N ATOM 1184 CA LEU A 70 -12.046 -2.952 2.713 1.00 14.54 C ATOM 1185 C LEU A 70 -11.928 -1.422 2.733 1.00 74.31 C ATOM 1186 O LEU A 70 -12.551 -0.753 3.556 1.00 30.12 O ATOM 1187 CB LEU A 70 -10.826 -3.594 3.387 1.00 42.20 C ATOM 1188 CG LEU A 70 -10.993 -5.085 3.724 1.00 75.54 C ATOM 1189 CD1 LEU A 70 -9.684 -5.687 4.228 1.00 11.22 C ATOM 1190 CD2 LEU A 70 -12.104 -5.270 4.756 1.00 3.31 C ATOM 0 H LEU A 70 -11.517 -4.180 1.089 1.00 44.04 H new ATOM 0 HA LEU A 70 -12.943 -3.220 3.271 1.00 14.54 H new ATOM 0 HB2 LEU A 70 -9.962 -3.477 2.733 1.00 42.20 H new ATOM 0 HB3 LEU A 70 -10.606 -3.050 4.305 1.00 42.20 H new ATOM 0 HG LEU A 70 -11.270 -5.612 2.811 1.00 75.54 H new ATOM 0 HD11 LEU A 70 -9.833 -6.742 4.458 1.00 11.22 H new ATOM 0 HD12 LEU A 70 -8.918 -5.588 3.459 1.00 11.22 H new ATOM 0 HD13 LEU A 70 -9.364 -5.161 5.128 1.00 11.22 H new ATOM 0 HD21 LEU A 70 -12.213 -6.330 4.987 1.00 3.31 H new ATOM 0 HD22 LEU A 70 -11.851 -4.725 5.665 1.00 3.31 H new ATOM 0 HD23 LEU A 70 -13.042 -4.888 4.353 1.00 3.31 H new ATOM 1202 N ALA A 71 -11.150 -0.874 1.805 1.00 3.53 N ATOM 1203 CA ALA A 71 -11.002 0.580 1.679 1.00 31.20 C ATOM 1204 C ALA A 71 -12.358 1.277 1.473 1.00 44.33 C ATOM 1205 O ALA A 71 -12.693 2.226 2.185 1.00 34.24 O ATOM 1206 CB ALA A 71 -10.067 0.909 0.530 1.00 11.12 C ATOM 0 H ALA A 71 -10.610 -1.411 1.127 1.00 3.53 H new ATOM 0 HA ALA A 71 -10.578 0.952 2.612 1.00 31.20 H new ATOM 0 HB1 ALA A 71 -9.963 1.991 0.444 1.00 11.12 H new ATOM 0 HB2 ALA A 71 -9.090 0.464 0.717 1.00 11.12 H new ATOM 0 HB3 ALA A 71 -10.476 0.509 -0.398 1.00 11.12 H new ATOM 1212 N GLN A 72 -13.134 0.793 0.502 1.00 60.41 N ATOM 1213 CA GLN A 72 -14.469 1.344 0.224 1.00 50.53 C ATOM 1214 C GLN A 72 -15.384 1.248 1.455 1.00 30.33 C ATOM 1215 O GLN A 72 -16.052 2.214 1.820 1.00 21.43 O ATOM 1216 CB GLN A 72 -15.114 0.606 -0.957 1.00 21.05 C ATOM 1217 CG GLN A 72 -14.394 0.806 -2.287 1.00 24.13 C ATOM 1218 CD GLN A 72 -15.035 0.021 -3.420 1.00 12.02 C ATOM 1219 OE1 GLN A 72 -15.914 0.518 -4.117 1.00 33.11 O ATOM 1220 NE2 GLN A 72 -14.615 -1.216 -3.599 1.00 30.25 N ATOM 0 H GLN A 72 -12.864 0.021 -0.107 1.00 60.41 H new ATOM 0 HA GLN A 72 -14.345 2.397 -0.029 1.00 50.53 H new ATOM 0 HB2 GLN A 72 -15.147 -0.460 -0.731 1.00 21.05 H new ATOM 0 HB3 GLN A 72 -16.146 0.942 -1.061 1.00 21.05 H new ATOM 0 HG2 GLN A 72 -14.392 1.866 -2.540 1.00 24.13 H new ATOM 0 HG3 GLN A 72 -13.353 0.502 -2.182 1.00 24.13 H new ATOM 0 HE21 GLN A 72 -13.882 -1.597 -3.001 1.00 30.25 H new ATOM 0 HE22 GLN A 72 -15.023 -1.792 -4.336 1.00 30.25 H new ATOM 1229 N LYS A 73 -15.401 0.080 2.093 1.00 31.13 N ATOM 1230 CA LYS A 73 -16.249 -0.153 3.273 1.00 10.21 C ATOM 1231 C LYS A 73 -15.850 0.770 4.440 1.00 33.22 C ATOM 1232 O LYS A 73 -16.706 1.290 5.158 1.00 54.22 O ATOM 1233 CB LYS A 73 -16.153 -1.625 3.707 1.00 72.51 C ATOM 1234 CG LYS A 73 -16.442 -2.612 2.581 1.00 23.03 C ATOM 1235 CD LYS A 73 -16.338 -4.062 3.045 1.00 50.45 C ATOM 1236 CE LYS A 73 -16.400 -5.034 1.873 1.00 21.34 C ATOM 1237 NZ LYS A 73 -17.602 -4.816 1.023 1.00 32.13 N ATOM 0 H LYS A 73 -14.838 -0.725 1.817 1.00 31.13 H new ATOM 0 HA LYS A 73 -17.279 0.076 3.000 1.00 10.21 H new ATOM 0 HB2 LYS A 73 -15.154 -1.815 4.099 1.00 72.51 H new ATOM 0 HB3 LYS A 73 -16.854 -1.801 4.523 1.00 72.51 H new ATOM 0 HG2 LYS A 73 -17.442 -2.429 2.187 1.00 23.03 H new ATOM 0 HG3 LYS A 73 -15.742 -2.443 1.763 1.00 23.03 H new ATOM 0 HD2 LYS A 73 -15.403 -4.205 3.587 1.00 50.45 H new ATOM 0 HD3 LYS A 73 -17.147 -4.280 3.742 1.00 50.45 H new ATOM 0 HE2 LYS A 73 -15.502 -4.924 1.264 1.00 21.34 H new ATOM 0 HE3 LYS A 73 -16.405 -6.056 2.251 1.00 21.34 H new ATOM 0 HZ1 LYS A 73 -17.526 -5.391 0.160 1.00 32.13 H new ATOM 0 HZ2 LYS A 73 -18.455 -5.093 1.550 1.00 32.13 H new ATOM 0 HZ3 LYS A 73 -17.667 -3.811 0.764 1.00 32.13 H new ATOM 1251 N MET A 74 -14.546 0.974 4.606 1.00 32.00 N ATOM 1252 CA MET A 74 -14.012 1.817 5.683 1.00 34.50 C ATOM 1253 C MET A 74 -13.887 3.293 5.243 1.00 73.51 C ATOM 1254 O MET A 74 -13.389 4.136 5.995 1.00 72.43 O ATOM 1255 CB MET A 74 -12.649 1.264 6.134 1.00 23.45 C ATOM 1256 CG MET A 74 -12.708 -0.198 6.575 1.00 61.31 C ATOM 1257 SD MET A 74 -11.087 -0.899 6.951 1.00 13.51 S ATOM 1258 CE MET A 74 -10.647 0.013 8.427 1.00 25.42 C ATOM 0 H MET A 74 -13.831 0.565 4.005 1.00 32.00 H new ATOM 0 HA MET A 74 -14.709 1.792 6.521 1.00 34.50 H new ATOM 0 HB2 MET A 74 -11.936 1.361 5.315 1.00 23.45 H new ATOM 0 HB3 MET A 74 -12.273 1.870 6.958 1.00 23.45 H new ATOM 0 HG2 MET A 74 -13.344 -0.279 7.457 1.00 61.31 H new ATOM 0 HG3 MET A 74 -13.178 -0.789 5.788 1.00 61.31 H new ATOM 0 HE1 MET A 74 -9.939 -0.569 9.017 1.00 25.42 H new ATOM 0 HE2 MET A 74 -10.190 0.962 8.146 1.00 25.42 H new ATOM 0 HE3 MET A 74 -11.543 0.203 9.018 1.00 25.42 H new ATOM 1268 N GLU A 75 -14.337 3.585 4.015 1.00 25.33 N ATOM 1269 CA GLU A 75 -14.412 4.959 3.482 1.00 44.34 C ATOM 1270 C GLU A 75 -13.029 5.615 3.286 1.00 22.50 C ATOM 1271 O GLU A 75 -12.920 6.844 3.241 1.00 52.31 O ATOM 1272 CB GLU A 75 -15.286 5.838 4.397 1.00 51.41 C ATOM 1273 CG GLU A 75 -16.738 5.375 4.514 1.00 43.41 C ATOM 1274 CD GLU A 75 -17.487 5.395 3.187 1.00 50.31 C ATOM 1275 OE1 GLU A 75 -17.281 6.337 2.390 1.00 0.51 O ATOM 1276 OE2 GLU A 75 -18.307 4.483 2.946 1.00 63.35 O ATOM 0 H GLU A 75 -14.661 2.875 3.358 1.00 25.33 H new ATOM 0 HA GLU A 75 -14.865 4.882 2.494 1.00 44.34 H new ATOM 0 HB2 GLU A 75 -14.842 5.859 5.392 1.00 51.41 H new ATOM 0 HB3 GLU A 75 -15.272 6.861 4.020 1.00 51.41 H new ATOM 0 HG2 GLU A 75 -16.758 4.363 4.919 1.00 43.41 H new ATOM 0 HG3 GLU A 75 -17.259 6.014 5.227 1.00 43.41 H new ATOM 1283 N ILE A 76 -11.987 4.804 3.124 1.00 12.01 N ATOM 1284 CA ILE A 76 -10.621 5.322 2.958 1.00 3.14 C ATOM 1285 C ILE A 76 -10.216 5.400 1.475 1.00 3.11 C ATOM 1286 O ILE A 76 -10.533 4.509 0.684 1.00 53.43 O ATOM 1287 CB ILE A 76 -9.596 4.439 3.716 1.00 71.12 C ATOM 1288 CG1 ILE A 76 -9.959 4.357 5.206 1.00 24.14 C ATOM 1289 CG2 ILE A 76 -8.175 4.977 3.535 1.00 53.13 C ATOM 1290 CD1 ILE A 76 -9.044 3.458 6.010 1.00 0.13 C ATOM 0 H ILE A 76 -12.056 3.787 3.103 1.00 12.01 H new ATOM 0 HA ILE A 76 -10.615 6.329 3.376 1.00 3.14 H new ATOM 0 HB ILE A 76 -9.632 3.434 3.295 1.00 71.12 H new ATOM 0 HG12 ILE A 76 -9.934 5.360 5.632 1.00 24.14 H new ATOM 0 HG13 ILE A 76 -10.983 3.996 5.301 1.00 24.14 H new ATOM 0 HG21 ILE A 76 -7.474 4.341 4.076 1.00 53.13 H new ATOM 0 HG22 ILE A 76 -7.919 4.980 2.475 1.00 53.13 H new ATOM 0 HG23 ILE A 76 -8.118 5.993 3.925 1.00 53.13 H new ATOM 0 HD11 ILE A 76 -9.364 3.452 7.052 1.00 0.13 H new ATOM 0 HD12 ILE A 76 -9.087 2.445 5.611 1.00 0.13 H new ATOM 0 HD13 ILE A 76 -8.021 3.830 5.947 1.00 0.13 H new ATOM 1302 N ASP A 77 -9.520 6.479 1.102 1.00 0.44 N ATOM 1303 CA ASP A 77 -8.990 6.632 -0.259 1.00 13.51 C ATOM 1304 C ASP A 77 -7.684 5.838 -0.436 1.00 42.14 C ATOM 1305 O ASP A 77 -6.646 6.204 0.128 1.00 62.52 O ATOM 1306 CB ASP A 77 -8.707 8.106 -0.575 1.00 65.40 C ATOM 1307 CG ASP A 77 -9.850 9.035 -0.214 1.00 3.30 C ATOM 1308 OD1 ASP A 77 -10.895 8.994 -0.894 1.00 51.42 O ATOM 1309 OD2 ASP A 77 -9.688 9.826 0.743 1.00 64.10 O ATOM 0 H ASP A 77 -9.310 7.260 1.723 1.00 0.44 H new ATOM 0 HA ASP A 77 -9.748 6.248 -0.942 1.00 13.51 H new ATOM 0 HB2 ASP A 77 -7.812 8.419 -0.037 1.00 65.40 H new ATOM 0 HB3 ASP A 77 -8.491 8.206 -1.639 1.00 65.40 H new ATOM 1314 N VAL A 78 -7.726 4.760 -1.214 1.00 72.01 N ATOM 1315 CA VAL A 78 -6.524 3.953 -1.464 1.00 73.55 C ATOM 1316 C VAL A 78 -6.222 3.828 -2.963 1.00 20.34 C ATOM 1317 O VAL A 78 -7.125 3.689 -3.791 1.00 20.41 O ATOM 1318 CB VAL A 78 -6.638 2.530 -0.857 1.00 61.13 C ATOM 1319 CG1 VAL A 78 -6.979 2.599 0.629 1.00 12.33 C ATOM 1320 CG2 VAL A 78 -7.662 1.688 -1.619 1.00 65.11 C ATOM 0 H VAL A 78 -8.568 4.423 -1.681 1.00 72.01 H new ATOM 0 HA VAL A 78 -5.706 4.482 -0.975 1.00 73.55 H new ATOM 0 HB VAL A 78 -5.668 2.043 -0.956 1.00 61.13 H new ATOM 0 HG11 VAL A 78 -7.054 1.589 1.032 1.00 12.33 H new ATOM 0 HG12 VAL A 78 -6.196 3.144 1.157 1.00 12.33 H new ATOM 0 HG13 VAL A 78 -7.931 3.113 0.760 1.00 12.33 H new ATOM 0 HG21 VAL A 78 -7.722 0.696 -1.172 1.00 65.11 H new ATOM 0 HG22 VAL A 78 -8.639 2.169 -1.567 1.00 65.11 H new ATOM 0 HG23 VAL A 78 -7.356 1.599 -2.661 1.00 65.11 H new ATOM 1330 N ARG A 79 -4.943 3.896 -3.302 1.00 42.43 N ATOM 1331 CA ARG A 79 -4.479 3.660 -4.668 1.00 71.24 C ATOM 1332 C ARG A 79 -3.887 2.251 -4.785 1.00 15.10 C ATOM 1333 O ARG A 79 -2.694 2.046 -4.566 1.00 44.10 O ATOM 1334 CB ARG A 79 -3.438 4.722 -5.054 1.00 33.25 C ATOM 1335 CG ARG A 79 -4.027 6.119 -5.244 1.00 13.12 C ATOM 1336 CD ARG A 79 -2.946 7.199 -5.282 1.00 1.21 C ATOM 1337 NE ARG A 79 -1.820 6.840 -6.149 1.00 74.15 N ATOM 1338 CZ ARG A 79 -1.380 7.583 -7.130 1.00 53.04 C ATOM 1339 NH1 ARG A 79 -2.012 8.659 -7.471 1.00 74.12 N ATOM 1340 NH2 ARG A 79 -0.323 7.232 -7.786 1.00 35.24 N ATOM 0 H ARG A 79 -4.197 4.115 -2.642 1.00 42.43 H new ATOM 0 HA ARG A 79 -5.323 3.735 -5.354 1.00 71.24 H new ATOM 0 HB2 ARG A 79 -2.670 4.763 -4.281 1.00 33.25 H new ATOM 0 HB3 ARG A 79 -2.945 4.416 -5.977 1.00 33.25 H new ATOM 0 HG2 ARG A 79 -4.600 6.147 -6.171 1.00 13.12 H new ATOM 0 HG3 ARG A 79 -4.723 6.332 -4.433 1.00 13.12 H new ATOM 0 HD2 ARG A 79 -3.384 8.134 -5.631 1.00 1.21 H new ATOM 0 HD3 ARG A 79 -2.579 7.376 -4.271 1.00 1.21 H new ATOM 0 HE ARG A 79 -1.349 5.952 -5.975 1.00 74.15 H new ATOM 0 HH11 ARG A 79 -2.859 8.932 -6.973 1.00 74.12 H new ATOM 0 HH12 ARG A 79 -1.663 9.234 -8.238 1.00 74.12 H new ATOM 0 HH21 ARG A 79 0.169 6.374 -7.538 1.00 35.24 H new ATOM 0 HH22 ARG A 79 0.019 7.813 -8.551 1.00 35.24 H new ATOM 1354 N THR A 80 -4.737 1.278 -5.097 1.00 13.21 N ATOM 1355 CA THR A 80 -4.323 -0.129 -5.140 1.00 61.42 C ATOM 1356 C THR A 80 -3.887 -0.554 -6.549 1.00 10.11 C ATOM 1357 O THR A 80 -4.665 -0.489 -7.502 1.00 32.42 O ATOM 1358 CB THR A 80 -5.465 -1.061 -4.662 1.00 24.13 C ATOM 1359 OG1 THR A 80 -6.015 -0.564 -3.429 1.00 70.51 O ATOM 1360 CG2 THR A 80 -4.956 -2.485 -4.449 1.00 52.14 C ATOM 0 H THR A 80 -5.719 1.434 -5.325 1.00 13.21 H new ATOM 0 HA THR A 80 -3.471 -0.222 -4.467 1.00 61.42 H new ATOM 0 HB THR A 80 -6.236 -1.077 -5.433 1.00 24.13 H new ATOM 0 HG1 THR A 80 -6.738 -1.155 -3.131 1.00 70.51 H new ATOM 0 HG21 THR A 80 -5.777 -3.119 -4.114 1.00 52.14 H new ATOM 0 HG22 THR A 80 -4.558 -2.873 -5.386 1.00 52.14 H new ATOM 0 HG23 THR A 80 -4.169 -2.481 -3.695 1.00 52.14 H new ATOM 1368 N ARG A 81 -2.634 -0.982 -6.674 1.00 3.54 N ATOM 1369 CA ARG A 81 -2.089 -1.466 -7.947 1.00 22.22 C ATOM 1370 C ARG A 81 -1.472 -2.865 -7.775 1.00 40.21 C ATOM 1371 O ARG A 81 -1.107 -3.261 -6.668 1.00 23.25 O ATOM 1372 CB ARG A 81 -1.035 -0.484 -8.483 1.00 44.10 C ATOM 1373 CG ARG A 81 -1.577 0.916 -8.779 1.00 21.33 C ATOM 1374 CD ARG A 81 -2.653 0.897 -9.862 1.00 21.14 C ATOM 1375 NE ARG A 81 -3.173 2.236 -10.147 1.00 13.35 N ATOM 1376 CZ ARG A 81 -4.259 2.474 -10.831 1.00 14.22 C ATOM 1377 NH1 ARG A 81 -4.964 1.502 -11.317 1.00 51.02 N ATOM 1378 NH2 ARG A 81 -4.643 3.695 -11.026 1.00 75.23 N ATOM 0 H ARG A 81 -1.967 -1.005 -5.902 1.00 3.54 H new ATOM 0 HA ARG A 81 -2.905 -1.534 -8.667 1.00 22.22 H new ATOM 0 HB2 ARG A 81 -0.227 -0.403 -7.756 1.00 44.10 H new ATOM 0 HB3 ARG A 81 -0.602 -0.895 -9.395 1.00 44.10 H new ATOM 0 HG2 ARG A 81 -1.990 1.345 -7.866 1.00 21.33 H new ATOM 0 HG3 ARG A 81 -0.758 1.563 -9.093 1.00 21.33 H new ATOM 0 HD2 ARG A 81 -2.240 0.467 -10.775 1.00 21.14 H new ATOM 0 HD3 ARG A 81 -3.472 0.250 -9.547 1.00 21.14 H new ATOM 0 HE ARG A 81 -2.652 3.036 -9.787 1.00 13.35 H new ATOM 0 HH11 ARG A 81 -4.673 0.536 -11.167 1.00 51.02 H new ATOM 0 HH12 ARG A 81 -5.810 1.703 -11.850 1.00 51.02 H new ATOM 0 HH21 ARG A 81 -4.097 4.468 -10.646 1.00 75.23 H new ATOM 0 HH22 ARG A 81 -5.491 3.884 -11.560 1.00 75.23 H new ATOM 1392 N LYS A 82 -1.353 -3.602 -8.872 1.00 3.23 N ATOM 1393 CA LYS A 82 -0.828 -4.971 -8.840 1.00 12.33 C ATOM 1394 C LYS A 82 0.618 -5.028 -9.359 1.00 2.11 C ATOM 1395 O LYS A 82 0.884 -4.712 -10.521 1.00 14.04 O ATOM 1396 CB LYS A 82 -1.726 -5.886 -9.682 1.00 22.32 C ATOM 1397 CG LYS A 82 -1.278 -7.343 -9.716 1.00 41.14 C ATOM 1398 CD LYS A 82 -2.182 -8.190 -10.607 1.00 34.55 C ATOM 1399 CE LYS A 82 -2.197 -7.682 -12.046 1.00 61.52 C ATOM 1400 NZ LYS A 82 -3.102 -8.481 -12.914 1.00 12.21 N ATOM 0 H LYS A 82 -1.613 -3.277 -9.803 1.00 3.23 H new ATOM 0 HA LYS A 82 -0.825 -5.313 -7.805 1.00 12.33 H new ATOM 0 HB2 LYS A 82 -2.742 -5.839 -9.290 1.00 22.32 H new ATOM 0 HB3 LYS A 82 -1.760 -5.504 -10.702 1.00 22.32 H new ATOM 0 HG2 LYS A 82 -0.252 -7.400 -10.079 1.00 41.14 H new ATOM 0 HG3 LYS A 82 -1.281 -7.748 -8.704 1.00 41.14 H new ATOM 0 HD2 LYS A 82 -1.841 -9.225 -10.591 1.00 34.55 H new ATOM 0 HD3 LYS A 82 -3.196 -8.182 -10.208 1.00 34.55 H new ATOM 0 HE2 LYS A 82 -2.512 -6.639 -12.058 1.00 61.52 H new ATOM 0 HE3 LYS A 82 -1.186 -7.714 -12.451 1.00 61.52 H new ATOM 0 HZ1 LYS A 82 -2.896 -8.275 -13.912 1.00 12.21 H new ATOM 0 HZ2 LYS A 82 -2.953 -9.494 -12.731 1.00 12.21 H new ATOM 0 HZ3 LYS A 82 -4.090 -8.233 -12.706 1.00 12.21 H new ATOM 1414 N VAL A 83 1.552 -5.434 -8.496 1.00 41.24 N ATOM 1415 CA VAL A 83 2.969 -5.514 -8.867 1.00 50.43 C ATOM 1416 C VAL A 83 3.553 -6.918 -8.637 1.00 25.40 C ATOM 1417 O VAL A 83 3.322 -7.553 -7.607 1.00 41.23 O ATOM 1418 CB VAL A 83 3.819 -4.477 -8.085 1.00 74.22 C ATOM 1419 CG1 VAL A 83 3.362 -3.056 -8.402 1.00 73.22 C ATOM 1420 CG2 VAL A 83 3.762 -4.742 -6.580 1.00 61.45 C ATOM 0 H VAL A 83 1.354 -5.713 -7.535 1.00 41.24 H new ATOM 0 HA VAL A 83 3.014 -5.290 -9.933 1.00 50.43 H new ATOM 0 HB VAL A 83 4.856 -4.582 -8.405 1.00 74.22 H new ATOM 0 HG11 VAL A 83 3.971 -2.345 -7.844 1.00 73.22 H new ATOM 0 HG12 VAL A 83 3.472 -2.868 -9.470 1.00 73.22 H new ATOM 0 HG13 VAL A 83 2.316 -2.939 -8.119 1.00 73.22 H new ATOM 0 HG21 VAL A 83 4.366 -4.001 -6.057 1.00 61.45 H new ATOM 0 HG22 VAL A 83 2.729 -4.675 -6.238 1.00 61.45 H new ATOM 0 HG23 VAL A 83 4.150 -5.739 -6.371 1.00 61.45 H new ATOM 1430 N THR A 84 4.310 -7.392 -9.620 1.00 44.51 N ATOM 1431 CA THR A 84 5.026 -8.671 -9.520 1.00 14.12 C ATOM 1432 C THR A 84 6.541 -8.440 -9.491 1.00 41.42 C ATOM 1433 O THR A 84 7.274 -9.072 -8.735 1.00 10.23 O ATOM 1434 CB THR A 84 4.697 -9.593 -10.715 1.00 75.13 C ATOM 1435 OG1 THR A 84 5.084 -8.949 -11.943 1.00 50.24 O ATOM 1436 CG2 THR A 84 3.209 -9.930 -10.763 1.00 21.20 C ATOM 0 H THR A 84 4.448 -6.908 -10.507 1.00 44.51 H new ATOM 0 HA THR A 84 4.702 -9.148 -8.595 1.00 14.12 H new ATOM 0 HB THR A 84 5.253 -10.522 -10.590 1.00 75.13 H new ATOM 0 HG1 THR A 84 4.876 -9.536 -12.700 1.00 50.24 H new ATOM 0 HG21 THR A 84 3.010 -10.580 -11.615 1.00 21.20 H new ATOM 0 HG22 THR A 84 2.921 -10.439 -9.843 1.00 21.20 H new ATOM 0 HG23 THR A 84 2.631 -9.011 -10.865 1.00 21.20 H new ATOM 1444 N SER A 85 6.998 -7.519 -10.335 1.00 15.23 N ATOM 1445 CA SER A 85 8.421 -7.175 -10.424 1.00 3.24 C ATOM 1446 C SER A 85 8.783 -6.058 -9.428 1.00 65.43 C ATOM 1447 O SER A 85 8.043 -5.081 -9.290 1.00 21.13 O ATOM 1448 CB SER A 85 8.760 -6.729 -11.853 1.00 5.00 C ATOM 1449 OG SER A 85 8.393 -7.723 -12.801 1.00 11.31 O ATOM 0 H SER A 85 6.401 -6.992 -10.973 1.00 15.23 H new ATOM 0 HA SER A 85 9.004 -8.061 -10.171 1.00 3.24 H new ATOM 0 HB2 SER A 85 8.241 -5.797 -12.079 1.00 5.00 H new ATOM 0 HB3 SER A 85 9.828 -6.526 -11.930 1.00 5.00 H new ATOM 0 HG SER A 85 8.618 -7.413 -13.703 1.00 11.31 H new ATOM 1455 N PRO A 86 9.936 -6.176 -8.731 1.00 25.15 N ATOM 1456 CA PRO A 86 10.359 -5.199 -7.703 1.00 53.34 C ATOM 1457 C PRO A 86 10.398 -3.750 -8.218 1.00 3.34 C ATOM 1458 O PRO A 86 10.024 -2.815 -7.503 1.00 52.22 O ATOM 1459 CB PRO A 86 11.771 -5.674 -7.304 1.00 71.00 C ATOM 1460 CG PRO A 86 12.188 -6.625 -8.380 1.00 30.04 C ATOM 1461 CD PRO A 86 10.921 -7.262 -8.878 1.00 4.41 C ATOM 0 HA PRO A 86 9.653 -5.171 -6.873 1.00 53.34 H new ATOM 0 HB2 PRO A 86 12.462 -4.834 -7.232 1.00 71.00 H new ATOM 0 HB3 PRO A 86 11.761 -6.163 -6.330 1.00 71.00 H new ATOM 0 HG2 PRO A 86 12.705 -6.102 -9.185 1.00 30.04 H new ATOM 0 HG3 PRO A 86 12.877 -7.376 -7.993 1.00 30.04 H new ATOM 0 HD2 PRO A 86 11.012 -7.589 -9.914 1.00 4.41 H new ATOM 0 HD3 PRO A 86 10.649 -8.138 -8.289 1.00 4.41 H new ATOM 1469 N ASP A 87 10.845 -3.569 -9.460 1.00 43.35 N ATOM 1470 CA ASP A 87 10.933 -2.239 -10.067 1.00 21.45 C ATOM 1471 C ASP A 87 9.561 -1.549 -10.152 1.00 70.43 C ATOM 1472 O ASP A 87 9.476 -0.325 -10.081 1.00 70.33 O ATOM 1473 CB ASP A 87 11.565 -2.333 -11.455 1.00 53.03 C ATOM 1474 CG ASP A 87 12.982 -2.869 -11.393 1.00 50.22 C ATOM 1475 OD1 ASP A 87 13.159 -4.102 -11.461 1.00 55.12 O ATOM 1476 OD2 ASP A 87 13.926 -2.064 -11.266 1.00 43.45 O ATOM 0 H ASP A 87 11.153 -4.328 -10.068 1.00 43.35 H new ATOM 0 HA ASP A 87 11.565 -1.628 -9.423 1.00 21.45 H new ATOM 0 HB2 ASP A 87 10.958 -2.981 -12.087 1.00 53.03 H new ATOM 0 HB3 ASP A 87 11.569 -1.347 -11.920 1.00 53.03 H new ATOM 1481 N GLU A 88 8.491 -2.333 -10.295 1.00 30.13 N ATOM 1482 CA GLU A 88 7.133 -1.776 -10.333 1.00 50.32 C ATOM 1483 C GLU A 88 6.723 -1.225 -8.957 1.00 54.13 C ATOM 1484 O GLU A 88 6.135 -0.151 -8.866 1.00 41.02 O ATOM 1485 CB GLU A 88 6.123 -2.829 -10.810 1.00 64.23 C ATOM 1486 CG GLU A 88 6.341 -3.289 -12.248 1.00 61.32 C ATOM 1487 CD GLU A 88 6.347 -2.136 -13.245 1.00 12.14 C ATOM 1488 OE1 GLU A 88 5.267 -1.586 -13.541 1.00 0.32 O ATOM 1489 OE2 GLU A 88 7.436 -1.783 -13.746 1.00 33.54 O ATOM 0 H GLU A 88 8.535 -3.348 -10.386 1.00 30.13 H new ATOM 0 HA GLU A 88 7.133 -0.951 -11.045 1.00 50.32 H new ATOM 0 HB2 GLU A 88 6.177 -3.695 -10.150 1.00 64.23 H new ATOM 0 HB3 GLU A 88 5.117 -2.420 -10.718 1.00 64.23 H new ATOM 0 HG2 GLU A 88 7.288 -3.824 -12.313 1.00 61.32 H new ATOM 0 HG3 GLU A 88 5.557 -3.995 -12.521 1.00 61.32 H new ATOM 1496 N ALA A 89 7.042 -1.960 -7.890 1.00 55.41 N ATOM 1497 CA ALA A 89 6.814 -1.472 -6.523 1.00 72.44 C ATOM 1498 C ALA A 89 7.538 -0.136 -6.302 1.00 63.43 C ATOM 1499 O ALA A 89 6.962 0.824 -5.787 1.00 5.14 O ATOM 1500 CB ALA A 89 7.277 -2.511 -5.506 1.00 32.44 C ATOM 0 H ALA A 89 7.457 -2.890 -7.942 1.00 55.41 H new ATOM 0 HA ALA A 89 5.745 -1.308 -6.385 1.00 72.44 H new ATOM 0 HB1 ALA A 89 7.102 -2.136 -4.498 1.00 32.44 H new ATOM 0 HB2 ALA A 89 6.719 -3.436 -5.651 1.00 32.44 H new ATOM 0 HB3 ALA A 89 8.341 -2.704 -5.642 1.00 32.44 H new ATOM 1506 N LYS A 90 8.802 -0.086 -6.719 1.00 25.12 N ATOM 1507 CA LYS A 90 9.590 1.155 -6.691 1.00 43.25 C ATOM 1508 C LYS A 90 8.921 2.242 -7.548 1.00 22.31 C ATOM 1509 O LYS A 90 8.816 3.405 -7.146 1.00 44.34 O ATOM 1510 CB LYS A 90 11.008 0.879 -7.221 1.00 12.21 C ATOM 1511 CG LYS A 90 11.743 -0.227 -6.468 1.00 11.43 C ATOM 1512 CD LYS A 90 13.023 -0.668 -7.182 1.00 41.41 C ATOM 1513 CE LYS A 90 14.073 0.437 -7.241 1.00 75.11 C ATOM 1514 NZ LYS A 90 15.365 -0.066 -7.778 1.00 20.52 N ATOM 0 H LYS A 90 9.309 -0.893 -7.083 1.00 25.12 H new ATOM 0 HA LYS A 90 9.645 1.509 -5.661 1.00 43.25 H new ATOM 0 HB2 LYS A 90 10.946 0.608 -8.275 1.00 12.21 H new ATOM 0 HB3 LYS A 90 11.593 1.797 -7.162 1.00 12.21 H new ATOM 0 HG2 LYS A 90 11.991 0.123 -5.466 1.00 11.43 H new ATOM 0 HG3 LYS A 90 11.081 -1.085 -6.351 1.00 11.43 H new ATOM 0 HD2 LYS A 90 13.441 -1.534 -6.669 1.00 41.41 H new ATOM 0 HD3 LYS A 90 12.778 -0.986 -8.195 1.00 41.41 H new ATOM 0 HE2 LYS A 90 13.710 1.252 -7.867 1.00 75.11 H new ATOM 0 HE3 LYS A 90 14.228 0.847 -6.243 1.00 75.11 H new ATOM 0 HZ1 LYS A 90 16.096 0.664 -7.663 1.00 20.52 H new ATOM 0 HZ2 LYS A 90 15.647 -0.922 -7.259 1.00 20.52 H new ATOM 0 HZ3 LYS A 90 15.257 -0.292 -8.787 1.00 20.52 H new ATOM 1528 N ARG A 91 8.466 1.835 -8.729 1.00 71.14 N ATOM 1529 CA ARG A 91 7.811 2.730 -9.687 1.00 10.41 C ATOM 1530 C ARG A 91 6.565 3.404 -9.093 1.00 2.44 C ATOM 1531 O ARG A 91 6.449 4.623 -9.113 1.00 3.22 O ATOM 1532 CB ARG A 91 7.423 1.926 -10.936 1.00 22.44 C ATOM 1533 CG ARG A 91 6.633 2.707 -11.979 1.00 60.51 C ATOM 1534 CD ARG A 91 6.146 1.794 -13.101 1.00 60.21 C ATOM 1535 NE ARG A 91 5.292 2.501 -14.051 1.00 11.45 N ATOM 1536 CZ ARG A 91 4.388 1.926 -14.795 1.00 60.35 C ATOM 1537 NH1 ARG A 91 4.190 0.647 -14.737 1.00 13.21 N ATOM 1538 NH2 ARG A 91 3.673 2.640 -15.602 1.00 2.14 N ATOM 0 H ARG A 91 8.540 0.871 -9.053 1.00 71.14 H new ATOM 0 HA ARG A 91 8.514 3.522 -9.945 1.00 10.41 H new ATOM 0 HB2 ARG A 91 8.331 1.543 -11.401 1.00 22.44 H new ATOM 0 HB3 ARG A 91 6.834 1.062 -10.627 1.00 22.44 H new ATOM 0 HG2 ARG A 91 5.780 3.192 -11.505 1.00 60.51 H new ATOM 0 HG3 ARG A 91 7.258 3.497 -12.395 1.00 60.51 H new ATOM 0 HD2 ARG A 91 7.005 1.376 -13.627 1.00 60.21 H new ATOM 0 HD3 ARG A 91 5.596 0.956 -12.673 1.00 60.21 H new ATOM 0 HE ARG A 91 5.410 3.510 -14.139 1.00 11.45 H new ATOM 0 HH11 ARG A 91 4.745 0.073 -14.102 1.00 13.21 H new ATOM 0 HH12 ARG A 91 3.479 0.214 -15.326 1.00 13.21 H new ATOM 0 HH21 ARG A 91 3.817 3.648 -15.655 1.00 2.14 H new ATOM 0 HH22 ARG A 91 2.965 2.195 -16.186 1.00 2.14 H new ATOM 1552 N TRP A 92 5.649 2.609 -8.552 1.00 41.03 N ATOM 1553 CA TRP A 92 4.374 3.134 -8.046 1.00 42.32 C ATOM 1554 C TRP A 92 4.548 4.001 -6.792 1.00 61.15 C ATOM 1555 O TRP A 92 3.832 4.990 -6.618 1.00 15.34 O ATOM 1556 CB TRP A 92 3.391 1.991 -7.786 1.00 65.22 C ATOM 1557 CG TRP A 92 2.907 1.354 -9.057 1.00 12.40 C ATOM 1558 CD1 TRP A 92 3.293 0.155 -9.582 1.00 23.14 C ATOM 1559 CD2 TRP A 92 1.958 1.906 -9.975 1.00 41.31 C ATOM 1560 NE1 TRP A 92 2.636 -0.076 -10.764 1.00 71.31 N ATOM 1561 CE2 TRP A 92 1.811 0.985 -11.029 1.00 62.23 C ATOM 1562 CE3 TRP A 92 1.217 3.089 -10.006 1.00 43.01 C ATOM 1563 CZ2 TRP A 92 0.951 1.211 -12.101 1.00 21.41 C ATOM 1564 CZ3 TRP A 92 0.365 3.313 -11.068 1.00 31.23 C ATOM 1565 CH2 TRP A 92 0.238 2.377 -12.104 1.00 1.22 C ATOM 0 H TRP A 92 5.759 1.600 -8.450 1.00 41.03 H new ATOM 0 HA TRP A 92 3.966 3.784 -8.820 1.00 42.32 H new ATOM 0 HB2 TRP A 92 3.872 1.236 -7.164 1.00 65.22 H new ATOM 0 HB3 TRP A 92 2.537 2.370 -7.224 1.00 65.22 H new ATOM 0 HD1 TRP A 92 4.011 -0.515 -9.132 1.00 23.14 H new ATOM 0 HE1 TRP A 92 2.744 -0.904 -11.350 1.00 71.31 H new ATOM 0 HE3 TRP A 92 1.309 3.816 -9.213 1.00 43.01 H new ATOM 0 HZ2 TRP A 92 0.851 0.492 -12.900 1.00 21.41 H new ATOM 0 HZ3 TRP A 92 -0.214 4.224 -11.102 1.00 31.23 H new ATOM 0 HH2 TRP A 92 -0.437 2.582 -12.922 1.00 1.22 H new ATOM 1576 N ILE A 93 5.485 3.636 -5.917 1.00 3.15 N ATOM 1577 CA ILE A 93 5.825 4.487 -4.768 1.00 73.22 C ATOM 1578 C ILE A 93 6.380 5.836 -5.255 1.00 3.32 C ATOM 1579 O ILE A 93 6.075 6.895 -4.699 1.00 41.02 O ATOM 1580 CB ILE A 93 6.847 3.793 -3.828 1.00 63.05 C ATOM 1581 CG1 ILE A 93 6.225 2.520 -3.224 1.00 1.13 C ATOM 1582 CG2 ILE A 93 7.317 4.747 -2.725 1.00 32.24 C ATOM 1583 CD1 ILE A 93 7.142 1.770 -2.282 1.00 71.45 C ATOM 0 H ILE A 93 6.018 2.769 -5.977 1.00 3.15 H new ATOM 0 HA ILE A 93 4.913 4.659 -4.197 1.00 73.22 H new ATOM 0 HB ILE A 93 7.722 3.511 -4.414 1.00 63.05 H new ATOM 0 HG12 ILE A 93 5.316 2.792 -2.688 1.00 1.13 H new ATOM 0 HG13 ILE A 93 5.930 1.853 -4.034 1.00 1.13 H new ATOM 0 HG21 ILE A 93 8.032 4.235 -2.081 1.00 32.24 H new ATOM 0 HG22 ILE A 93 7.793 5.618 -3.176 1.00 32.24 H new ATOM 0 HG23 ILE A 93 6.460 5.068 -2.132 1.00 32.24 H new ATOM 0 HD11 ILE A 93 6.629 0.887 -1.901 1.00 71.45 H new ATOM 0 HD12 ILE A 93 8.041 1.464 -2.816 1.00 71.45 H new ATOM 0 HD13 ILE A 93 7.417 2.418 -1.450 1.00 71.45 H new ATOM 1595 N LYS A 94 7.184 5.782 -6.314 1.00 41.12 N ATOM 1596 CA LYS A 94 7.673 6.990 -6.983 1.00 21.54 C ATOM 1597 C LYS A 94 6.509 7.822 -7.550 1.00 52.14 C ATOM 1598 O LYS A 94 6.338 8.985 -7.185 1.00 43.14 O ATOM 1599 CB LYS A 94 8.651 6.592 -8.101 1.00 62.22 C ATOM 1600 CG LYS A 94 8.939 7.695 -9.116 1.00 23.04 C ATOM 1601 CD LYS A 94 9.932 7.231 -10.181 1.00 12.13 C ATOM 1602 CE LYS A 94 9.991 8.195 -11.359 1.00 32.34 C ATOM 1603 NZ LYS A 94 8.728 8.191 -12.150 1.00 61.12 N ATOM 0 H LYS A 94 7.513 4.911 -6.731 1.00 41.12 H new ATOM 0 HA LYS A 94 8.192 7.611 -6.253 1.00 21.54 H new ATOM 0 HB2 LYS A 94 9.592 6.278 -7.648 1.00 62.22 H new ATOM 0 HB3 LYS A 94 8.247 5.728 -8.628 1.00 62.22 H new ATOM 0 HG2 LYS A 94 8.009 8.003 -9.594 1.00 23.04 H new ATOM 0 HG3 LYS A 94 9.338 8.569 -8.601 1.00 23.04 H new ATOM 0 HD2 LYS A 94 10.923 7.138 -9.738 1.00 12.13 H new ATOM 0 HD3 LYS A 94 9.648 6.240 -10.536 1.00 12.13 H new ATOM 0 HE2 LYS A 94 10.186 9.203 -10.993 1.00 32.34 H new ATOM 0 HE3 LYS A 94 10.825 7.925 -12.007 1.00 32.34 H new ATOM 0 HZ1 LYS A 94 8.403 9.169 -12.290 1.00 61.12 H new ATOM 0 HZ2 LYS A 94 8.899 7.747 -13.075 1.00 61.12 H new ATOM 0 HZ3 LYS A 94 7.999 7.654 -11.638 1.00 61.12 H new ATOM 1617 N GLU A 95 5.694 7.210 -8.413 1.00 34.14 N ATOM 1618 CA GLU A 95 4.539 7.890 -9.025 1.00 73.03 C ATOM 1619 C GLU A 95 3.637 8.531 -7.955 1.00 35.33 C ATOM 1620 O GLU A 95 3.150 9.650 -8.121 1.00 32.52 O ATOM 1621 CB GLU A 95 3.718 6.892 -9.861 1.00 50.11 C ATOM 1622 CG GLU A 95 4.518 6.147 -10.929 1.00 11.42 C ATOM 1623 CD GLU A 95 5.059 7.054 -12.026 1.00 55.33 C ATOM 1624 OE1 GLU A 95 6.172 7.602 -11.865 1.00 34.44 O ATOM 1625 OE2 GLU A 95 4.379 7.208 -13.066 1.00 61.21 O ATOM 0 H GLU A 95 5.810 6.240 -8.708 1.00 34.14 H new ATOM 0 HA GLU A 95 4.921 8.680 -9.671 1.00 73.03 H new ATOM 0 HB2 GLU A 95 3.265 6.162 -9.190 1.00 50.11 H new ATOM 0 HB3 GLU A 95 2.902 7.429 -10.345 1.00 50.11 H new ATOM 0 HG2 GLU A 95 5.351 5.630 -10.453 1.00 11.42 H new ATOM 0 HG3 GLU A 95 3.884 5.383 -11.380 1.00 11.42 H new ATOM 1632 N PHE A 96 3.440 7.811 -6.853 1.00 1.33 N ATOM 1633 CA PHE A 96 2.618 8.288 -5.735 1.00 43.01 C ATOM 1634 C PHE A 96 3.152 9.618 -5.178 1.00 63.33 C ATOM 1635 O PHE A 96 2.387 10.559 -4.954 1.00 33.31 O ATOM 1636 CB PHE A 96 2.587 7.217 -4.635 1.00 52.15 C ATOM 1637 CG PHE A 96 1.647 7.512 -3.493 1.00 45.44 C ATOM 1638 CD1 PHE A 96 0.299 7.739 -3.728 1.00 22.42 C ATOM 1639 CD2 PHE A 96 2.109 7.550 -2.185 1.00 44.20 C ATOM 1640 CE1 PHE A 96 -0.567 7.997 -2.683 1.00 25.20 C ATOM 1641 CE2 PHE A 96 1.247 7.804 -1.138 1.00 73.40 C ATOM 1642 CZ PHE A 96 -0.094 8.030 -1.388 1.00 42.42 C ATOM 0 H PHE A 96 3.842 6.885 -6.707 1.00 1.33 H new ATOM 0 HA PHE A 96 1.605 8.468 -6.096 1.00 43.01 H new ATOM 0 HB2 PHE A 96 2.305 6.264 -5.083 1.00 52.15 H new ATOM 0 HB3 PHE A 96 3.594 7.096 -4.236 1.00 52.15 H new ATOM 0 HD1 PHE A 96 -0.078 7.714 -4.740 1.00 22.42 H new ATOM 0 HD2 PHE A 96 3.156 7.379 -1.984 1.00 44.20 H new ATOM 0 HE1 PHE A 96 -1.614 8.173 -2.880 1.00 25.20 H new ATOM 0 HE2 PHE A 96 1.619 7.826 -0.124 1.00 73.40 H new ATOM 0 HZ PHE A 96 -0.770 8.232 -0.570 1.00 42.42 H new ATOM 1652 N SER A 97 4.467 9.696 -4.966 1.00 21.12 N ATOM 1653 CA SER A 97 5.093 10.931 -4.466 1.00 2.21 C ATOM 1654 C SER A 97 5.104 12.027 -5.545 1.00 3.12 C ATOM 1655 O SER A 97 4.959 13.212 -5.240 1.00 31.31 O ATOM 1656 CB SER A 97 6.526 10.668 -3.978 1.00 30.21 C ATOM 1657 OG SER A 97 7.387 10.300 -5.046 1.00 33.40 O ATOM 0 H SER A 97 5.118 8.928 -5.130 1.00 21.12 H new ATOM 0 HA SER A 97 4.494 11.277 -3.624 1.00 2.21 H new ATOM 0 HB2 SER A 97 6.914 11.562 -3.490 1.00 30.21 H new ATOM 0 HB3 SER A 97 6.516 9.875 -3.230 1.00 30.21 H new ATOM 0 HG SER A 97 6.884 9.781 -5.708 1.00 33.40 H new ATOM 1663 N GLU A 98 5.267 11.627 -6.811 1.00 0.34 N ATOM 1664 CA GLU A 98 5.237 12.570 -7.941 1.00 31.22 C ATOM 1665 C GLU A 98 3.898 13.325 -7.994 1.00 54.21 C ATOM 1666 O GLU A 98 3.861 14.553 -8.121 1.00 20.41 O ATOM 1667 CB GLU A 98 5.454 11.827 -9.271 1.00 30.33 C ATOM 1668 CG GLU A 98 6.793 11.102 -9.380 1.00 70.22 C ATOM 1669 CD GLU A 98 7.982 12.040 -9.257 1.00 34.04 C ATOM 1670 OE1 GLU A 98 8.344 12.679 -10.265 1.00 72.24 O ATOM 1671 OE2 GLU A 98 8.558 12.137 -8.156 1.00 24.11 O ATOM 0 H GLU A 98 5.421 10.656 -7.082 1.00 0.34 H new ATOM 0 HA GLU A 98 6.043 13.289 -7.792 1.00 31.22 H new ATOM 0 HB2 GLU A 98 4.651 11.102 -9.403 1.00 30.33 H new ATOM 0 HB3 GLU A 98 5.375 12.543 -10.089 1.00 30.33 H new ATOM 0 HG2 GLU A 98 6.854 10.342 -8.601 1.00 70.22 H new ATOM 0 HG3 GLU A 98 6.843 10.583 -10.337 1.00 70.22 H new