USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1029 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 85 SER OG : rot 180:sc= -0.376 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.377 K(o=-0.75,f=-0.24) USER MOD Set 2.1: A 60 SER OG : rot 70:sc= 0.736 USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= 0.671 USER MOD Set 3.1: A 42 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00836) USER MOD Set 3.2: A 65 GLN : amide:sc= -0.0711 X(o=-0.071,f=-0.017) USER MOD Set 4.1: A 26 TYR OH : rot 79:sc= 0.417 USER MOD Set 4.2: A 113 LYS NZ :NH3+ 176:sc= 0.978 (180deg=0.0258) USER MOD Set 5.1: A 11 GLN : amide:sc= -0.794 K(o=-2.3,f=-1.6) USER MOD Set 5.2: A 32 ASN : amide:sc= -1.53 K(o=-2.3,f=-0.37) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.928 (180deg=0.373!) USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0875) USER MOD Single : A 8 SER OG : rot 101:sc= 0.518 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 0.475 (180deg=0.475) USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0.447 (180deg=0.416) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -109:sc= 0.0975 USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= 0.538 (180deg=0.528) USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00325) USER MOD Single : A 45 ASN : amide:sc= -2.13! C(o=-2.1!,f=-3.2!) USER MOD Single : A 48 MET CE :methyl -168:sc= -0.158 (180deg=-0.76) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0.606 (180deg=0.575) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 56 LYS NZ :NH3+ 140:sc= -1.09 (180deg=-3.14!) USER MOD Single : A 58 SER OG : rot -31:sc= 0.541 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 83:sc= 0.451 USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= -0.162 (180deg=-1.26) USER MOD Single : A 77 SER OG : rot -68:sc= 0.692 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.0032) USER MOD Single : A 88 LYS NZ :NH3+ -153:sc= 0.551 (180deg=0.175) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 90:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.38) USER MOD Single : A 101 LYS NZ :NH3+ -121:sc= 0.659 (180deg=-0.0324) USER MOD Single : A 105 LYS NZ :NH3+ 160:sc= 0.856 (180deg=0.556) USER MOD Single : A 117 SER OG : rot -170:sc= -2.5! USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= -0.366 K(o=-0.37,f=-1.1) USER MOD Single : A 122 HIS : no HE2:sc= 0.324 K(o=0.32,f=-1.7) USER MOD Single : A 123 HIS : no HD1:sc= -0.029 X(o=-0.029,f=-0.22) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.061 9.371 -0.881 1.00 0.00 N ATOM 2 CA MET A 1 16.015 7.955 -1.327 1.00 52.33 C ATOM 3 C MET A 1 14.806 7.253 -0.704 1.00 3.52 C ATOM 4 O MET A 1 14.423 7.567 0.429 1.00 70.34 O ATOM 5 CB MET A 1 17.332 7.217 -0.950 1.00 4.32 C ATOM 6 CG MET A 1 18.597 7.790 -1.616 1.00 60.10 C ATOM 7 SD MET A 1 18.931 9.510 -1.148 1.00 10.32 S ATOM 8 CE MET A 1 20.377 9.890 -2.140 1.00 21.02 C ATOM 0 H1 MET A 1 17.040 9.627 -0.640 1.00 0.00 H new ATOM 0 H2 MET A 1 15.720 9.987 -1.646 1.00 0.00 H new ATOM 0 H3 MET A 1 15.455 9.491 -0.044 1.00 0.00 H new ATOM 0 HA MET A 1 15.915 7.932 -2.412 1.00 52.33 H new ATOM 0 HB2 MET A 1 17.458 7.254 0.132 1.00 4.32 H new ATOM 0 HB3 MET A 1 17.236 6.166 -1.224 1.00 4.32 H new ATOM 0 HG2 MET A 1 19.454 7.173 -1.345 1.00 60.10 H new ATOM 0 HG3 MET A 1 18.490 7.729 -2.699 1.00 60.10 H new ATOM 0 HE1 MET A 1 20.689 10.917 -1.950 1.00 21.02 H new ATOM 0 HE2 MET A 1 21.188 9.210 -1.877 1.00 21.02 H new ATOM 0 HE3 MET A 1 20.134 9.774 -3.196 1.00 21.02 H new ATOM 20 N GLY A 2 14.210 6.312 -1.456 1.00 51.12 N ATOM 21 CA GLY A 2 13.069 5.541 -0.981 1.00 34.40 C ATOM 22 C GLY A 2 11.783 6.349 -0.976 1.00 65.50 C ATOM 23 O GLY A 2 11.251 6.651 0.093 1.00 65.22 O ATOM 0 H GLY A 2 14.509 6.072 -2.401 1.00 51.12 H new ATOM 0 HA2 GLY A 2 12.940 4.662 -1.613 1.00 34.40 H new ATOM 0 HA3 GLY A 2 13.272 5.181 0.028 1.00 34.40 H new ATOM 27 N LYS A 3 11.300 6.728 -2.177 1.00 4.22 N ATOM 28 CA LYS A 3 10.054 7.498 -2.329 1.00 3.31 C ATOM 29 C LYS A 3 8.860 6.678 -1.830 1.00 72.00 C ATOM 30 O LYS A 3 8.406 5.758 -2.528 1.00 50.12 O ATOM 31 CB LYS A 3 9.826 7.942 -3.804 1.00 44.14 C ATOM 32 CG LYS A 3 8.512 8.737 -4.034 1.00 41.23 C ATOM 33 CD LYS A 3 8.433 9.998 -3.140 1.00 72.23 C ATOM 34 CE LYS A 3 7.044 10.633 -3.099 1.00 72.13 C ATOM 35 NZ LYS A 3 7.007 11.790 -2.161 1.00 14.13 N ATOM 0 H LYS A 3 11.760 6.510 -3.061 1.00 4.22 H new ATOM 0 HA LYS A 3 10.147 8.400 -1.724 1.00 3.31 H new ATOM 0 HB2 LYS A 3 10.669 8.556 -4.121 1.00 44.14 H new ATOM 0 HB3 LYS A 3 9.818 7.057 -4.441 1.00 44.14 H new ATOM 0 HG2 LYS A 3 8.445 9.031 -5.082 1.00 41.23 H new ATOM 0 HG3 LYS A 3 7.658 8.092 -3.828 1.00 41.23 H new ATOM 0 HD2 LYS A 3 8.732 9.733 -2.126 1.00 72.23 H new ATOM 0 HD3 LYS A 3 9.150 10.735 -3.502 1.00 72.23 H new ATOM 0 HE2 LYS A 3 6.763 10.963 -4.099 1.00 72.13 H new ATOM 0 HE3 LYS A 3 6.310 9.888 -2.791 1.00 72.13 H new ATOM 0 HZ1 LYS A 3 6.103 12.293 -2.266 1.00 14.13 H new ATOM 0 HZ2 LYS A 3 7.101 11.448 -1.184 1.00 14.13 H new ATOM 0 HZ3 LYS A 3 7.791 12.438 -2.378 1.00 14.13 H new ATOM 49 N VAL A 4 8.383 7.029 -0.615 1.00 5.13 N ATOM 50 CA VAL A 4 7.258 6.366 0.038 1.00 22.44 C ATOM 51 C VAL A 4 5.957 7.024 -0.414 1.00 13.22 C ATOM 52 O VAL A 4 5.821 8.254 -0.351 1.00 41.55 O ATOM 53 CB VAL A 4 7.332 6.436 1.608 1.00 54.25 C ATOM 54 CG1 VAL A 4 6.238 5.544 2.233 1.00 64.14 C ATOM 55 CG2 VAL A 4 8.736 6.067 2.141 1.00 34.33 C ATOM 0 H VAL A 4 8.780 7.790 -0.064 1.00 5.13 H new ATOM 0 HA VAL A 4 7.297 5.315 -0.250 1.00 22.44 H new ATOM 0 HB VAL A 4 7.149 7.469 1.906 1.00 54.25 H new ATOM 0 HG11 VAL A 4 6.299 5.601 3.320 1.00 64.14 H new ATOM 0 HG12 VAL A 4 5.257 5.889 1.906 1.00 64.14 H new ATOM 0 HG13 VAL A 4 6.384 4.512 1.915 1.00 64.14 H new ATOM 0 HG21 VAL A 4 8.740 6.129 3.229 1.00 34.33 H new ATOM 0 HG22 VAL A 4 8.986 5.051 1.835 1.00 34.33 H new ATOM 0 HG23 VAL A 4 9.473 6.760 1.735 1.00 34.33 H new ATOM 65 N VAL A 5 5.017 6.201 -0.883 1.00 41.33 N ATOM 66 CA VAL A 5 3.671 6.627 -1.253 1.00 13.22 C ATOM 67 C VAL A 5 2.666 5.675 -0.603 1.00 32.33 C ATOM 68 O VAL A 5 2.751 4.462 -0.788 1.00 21.55 O ATOM 69 CB VAL A 5 3.480 6.642 -2.817 1.00 4.14 C ATOM 70 CG1 VAL A 5 2.018 6.948 -3.212 1.00 60.51 C ATOM 71 CG2 VAL A 5 4.453 7.647 -3.480 1.00 20.03 C ATOM 0 H VAL A 5 5.175 5.202 -1.018 1.00 41.33 H new ATOM 0 HA VAL A 5 3.509 7.645 -0.900 1.00 13.22 H new ATOM 0 HB VAL A 5 3.714 5.643 -3.185 1.00 4.14 H new ATOM 0 HG11 VAL A 5 1.927 6.949 -4.298 1.00 60.51 H new ATOM 0 HG12 VAL A 5 1.361 6.185 -2.794 1.00 60.51 H new ATOM 0 HG13 VAL A 5 1.733 7.925 -2.823 1.00 60.51 H new ATOM 0 HG21 VAL A 5 4.303 7.640 -4.560 1.00 20.03 H new ATOM 0 HG22 VAL A 5 4.261 8.648 -3.093 1.00 20.03 H new ATOM 0 HG23 VAL A 5 5.480 7.361 -3.255 1.00 20.03 H new ATOM 81 N PHE A 6 1.737 6.216 0.192 1.00 1.24 N ATOM 82 CA PHE A 6 0.642 5.432 0.762 1.00 62.54 C ATOM 83 C PHE A 6 -0.641 5.712 -0.027 1.00 0.21 C ATOM 84 O PHE A 6 -1.002 6.872 -0.265 1.00 1.31 O ATOM 85 CB PHE A 6 0.432 5.745 2.265 1.00 63.41 C ATOM 86 CG PHE A 6 -0.627 4.863 2.917 1.00 62.42 C ATOM 87 CD1 PHE A 6 -0.373 3.506 3.124 1.00 0.10 C ATOM 88 CD2 PHE A 6 -1.878 5.363 3.282 1.00 44.34 C ATOM 89 CE1 PHE A 6 -1.329 2.681 3.668 1.00 73.42 C ATOM 90 CE2 PHE A 6 -2.829 4.534 3.836 1.00 41.23 C ATOM 91 CZ PHE A 6 -2.551 3.190 4.023 1.00 73.22 C ATOM 0 H PHE A 6 1.724 7.201 0.455 1.00 1.24 H new ATOM 0 HA PHE A 6 0.899 4.375 0.687 1.00 62.54 H new ATOM 0 HB2 PHE A 6 1.377 5.617 2.792 1.00 63.41 H new ATOM 0 HB3 PHE A 6 0.144 6.790 2.376 1.00 63.41 H new ATOM 0 HD1 PHE A 6 0.589 3.098 2.853 1.00 0.10 H new ATOM 0 HD2 PHE A 6 -2.102 6.408 3.129 1.00 44.34 H new ATOM 0 HE1 PHE A 6 -1.117 1.632 3.815 1.00 73.42 H new ATOM 0 HE2 PHE A 6 -3.791 4.932 4.124 1.00 41.23 H new ATOM 0 HZ PHE A 6 -3.300 2.540 4.450 1.00 73.22 H new ATOM 101 N LEU A 7 -1.316 4.636 -0.410 1.00 64.40 N ATOM 102 CA LEU A 7 -2.608 4.669 -1.084 1.00 71.23 C ATOM 103 C LEU A 7 -3.603 3.835 -0.268 1.00 33.33 C ATOM 104 O LEU A 7 -3.235 2.806 0.295 1.00 73.32 O ATOM 105 CB LEU A 7 -2.474 4.093 -2.524 1.00 24.34 C ATOM 106 CG LEU A 7 -3.809 3.867 -3.307 1.00 32.24 C ATOM 107 CD1 LEU A 7 -4.604 5.178 -3.484 1.00 45.21 C ATOM 108 CD2 LEU A 7 -3.543 3.170 -4.656 1.00 35.41 C ATOM 0 H LEU A 7 -0.970 3.689 -0.256 1.00 64.40 H new ATOM 0 HA LEU A 7 -2.963 5.697 -1.160 1.00 71.23 H new ATOM 0 HB2 LEU A 7 -1.846 4.768 -3.106 1.00 24.34 H new ATOM 0 HB3 LEU A 7 -1.947 3.141 -2.464 1.00 24.34 H new ATOM 0 HG LEU A 7 -4.434 3.204 -2.709 1.00 32.24 H new ATOM 0 HD11 LEU A 7 -5.523 4.975 -4.033 1.00 45.21 H new ATOM 0 HD12 LEU A 7 -4.849 5.590 -2.505 1.00 45.21 H new ATOM 0 HD13 LEU A 7 -4.001 5.897 -4.039 1.00 45.21 H new ATOM 0 HD21 LEU A 7 -4.486 3.024 -5.182 1.00 35.41 H new ATOM 0 HD22 LEU A 7 -2.882 3.790 -5.262 1.00 35.41 H new ATOM 0 HD23 LEU A 7 -3.072 2.203 -4.479 1.00 35.41 H new ATOM 120 N SER A 8 -4.845 4.312 -0.167 1.00 65.13 N ATOM 121 CA SER A 8 -5.984 3.513 0.288 1.00 52.23 C ATOM 122 C SER A 8 -7.239 3.996 -0.416 1.00 11.45 C ATOM 123 O SER A 8 -7.311 5.150 -0.859 1.00 32.12 O ATOM 124 CB SER A 8 -6.180 3.595 1.816 1.00 43.34 C ATOM 125 OG SER A 8 -5.150 2.925 2.499 1.00 74.34 O ATOM 0 H SER A 8 -5.091 5.274 -0.401 1.00 65.13 H new ATOM 0 HA SER A 8 -5.784 2.470 0.043 1.00 52.23 H new ATOM 0 HB2 SER A 8 -6.206 4.640 2.126 1.00 43.34 H new ATOM 0 HB3 SER A 8 -7.142 3.159 2.086 1.00 43.34 H new ATOM 0 HG SER A 8 -4.503 3.579 2.838 1.00 74.34 H new ATOM 131 N ASP A 9 -8.225 3.104 -0.506 1.00 22.11 N ATOM 132 CA ASP A 9 -9.551 3.433 -1.040 1.00 64.42 C ATOM 133 C ASP A 9 -10.376 4.148 0.051 1.00 3.22 C ATOM 134 O ASP A 9 -11.283 4.924 -0.257 1.00 2.45 O ATOM 135 CB ASP A 9 -10.252 2.141 -1.527 1.00 63.24 C ATOM 136 CG ASP A 9 -11.550 2.405 -2.317 1.00 2.32 C ATOM 137 OD1 ASP A 9 -11.464 2.724 -3.523 1.00 25.41 O ATOM 138 OD2 ASP A 9 -12.657 2.296 -1.740 1.00 4.31 O ATOM 0 H ASP A 9 -8.129 2.132 -0.211 1.00 22.11 H new ATOM 0 HA ASP A 9 -9.457 4.105 -1.893 1.00 64.42 H new ATOM 0 HB2 ASP A 9 -9.562 1.578 -2.155 1.00 63.24 H new ATOM 0 HB3 ASP A 9 -10.482 1.515 -0.665 1.00 63.24 H new ATOM 143 N ASP A 10 -10.035 3.874 1.331 1.00 21.13 N ATOM 144 CA ASP A 10 -10.683 4.502 2.505 1.00 54.42 C ATOM 145 C ASP A 10 -9.852 5.692 3.029 1.00 33.30 C ATOM 146 O ASP A 10 -8.619 5.642 3.036 1.00 4.13 O ATOM 147 CB ASP A 10 -10.888 3.467 3.642 1.00 10.43 C ATOM 148 CG ASP A 10 -11.601 4.067 4.873 1.00 14.25 C ATOM 149 OD1 ASP A 10 -12.785 4.441 4.755 1.00 73.41 O ATOM 150 OD2 ASP A 10 -10.987 4.177 5.953 1.00 64.35 O ATOM 0 H ASP A 10 -9.301 3.210 1.579 1.00 21.13 H new ATOM 0 HA ASP A 10 -11.656 4.871 2.182 1.00 54.42 H new ATOM 0 HB2 ASP A 10 -11.471 2.628 3.263 1.00 10.43 H new ATOM 0 HB3 ASP A 10 -9.919 3.071 3.946 1.00 10.43 H new ATOM 155 N GLN A 11 -10.558 6.743 3.487 1.00 62.31 N ATOM 156 CA GLN A 11 -9.952 7.965 4.038 1.00 31.14 C ATOM 157 C GLN A 11 -9.419 7.758 5.473 1.00 43.34 C ATOM 158 O GLN A 11 -8.288 8.156 5.769 1.00 24.54 O ATOM 159 CB GLN A 11 -10.977 9.130 3.998 1.00 51.11 C ATOM 160 CG GLN A 11 -10.468 10.477 4.563 1.00 43.32 C ATOM 161 CD GLN A 11 -9.242 11.037 3.832 1.00 11.33 C ATOM 162 OE1 GLN A 11 -9.371 11.767 2.853 1.00 14.24 O ATOM 163 NE2 GLN A 11 -8.047 10.711 4.304 1.00 33.41 N ATOM 0 H GLN A 11 -11.578 6.765 3.484 1.00 62.31 H new ATOM 0 HA GLN A 11 -9.094 8.218 3.415 1.00 31.14 H new ATOM 0 HB2 GLN A 11 -11.289 9.283 2.965 1.00 51.11 H new ATOM 0 HB3 GLN A 11 -11.864 8.832 4.558 1.00 51.11 H new ATOM 0 HG2 GLN A 11 -11.274 11.209 4.512 1.00 43.32 H new ATOM 0 HG3 GLN A 11 -10.222 10.347 5.617 1.00 43.32 H new ATOM 0 HE21 GLN A 11 -7.969 10.103 5.119 1.00 33.41 H new ATOM 0 HE22 GLN A 11 -7.205 11.069 3.852 1.00 33.41 H new ATOM 172 N GLU A 12 -10.226 7.124 6.350 1.00 5.43 N ATOM 173 CA GLU A 12 -9.896 6.989 7.792 1.00 35.03 C ATOM 174 C GLU A 12 -8.604 6.182 8.014 1.00 15.42 C ATOM 175 O GLU A 12 -7.878 6.424 8.978 1.00 53.00 O ATOM 176 CB GLU A 12 -11.074 6.370 8.581 1.00 41.13 C ATOM 177 CG GLU A 12 -12.368 7.204 8.559 1.00 61.31 C ATOM 178 CD GLU A 12 -13.415 6.701 9.565 1.00 0.54 C ATOM 179 OE1 GLU A 12 -14.315 5.925 9.179 1.00 62.04 O ATOM 180 OE2 GLU A 12 -13.326 7.071 10.759 1.00 31.45 O ATOM 0 H GLU A 12 -11.114 6.695 6.087 1.00 5.43 H new ATOM 0 HA GLU A 12 -9.722 7.995 8.174 1.00 35.03 H new ATOM 0 HB2 GLU A 12 -11.287 5.382 8.174 1.00 41.13 H new ATOM 0 HB3 GLU A 12 -10.766 6.229 9.617 1.00 41.13 H new ATOM 0 HG2 GLU A 12 -12.129 8.244 8.780 1.00 61.31 H new ATOM 0 HG3 GLU A 12 -12.793 7.181 7.556 1.00 61.31 H new ATOM 187 N ILE A 13 -8.327 5.254 7.088 1.00 21.14 N ATOM 188 CA ILE A 13 -7.068 4.504 7.051 1.00 31.33 C ATOM 189 C ILE A 13 -5.873 5.476 6.823 1.00 42.54 C ATOM 190 O ILE A 13 -4.887 5.451 7.563 1.00 24.05 O ATOM 191 CB ILE A 13 -7.112 3.418 5.915 1.00 74.22 C ATOM 192 CG1 ILE A 13 -8.187 2.315 6.195 1.00 70.31 C ATOM 193 CG2 ILE A 13 -5.734 2.788 5.694 1.00 33.12 C ATOM 194 CD1 ILE A 13 -7.952 1.455 7.437 1.00 23.50 C ATOM 0 H ILE A 13 -8.974 5.003 6.341 1.00 21.14 H new ATOM 0 HA ILE A 13 -6.933 3.999 8.008 1.00 31.33 H new ATOM 0 HB ILE A 13 -7.404 3.932 4.999 1.00 74.22 H new ATOM 0 HG12 ILE A 13 -9.159 2.798 6.290 1.00 70.31 H new ATOM 0 HG13 ILE A 13 -8.241 1.658 5.327 1.00 70.31 H new ATOM 0 HG21 ILE A 13 -5.798 2.041 4.902 1.00 33.12 H new ATOM 0 HG22 ILE A 13 -5.022 3.562 5.406 1.00 33.12 H new ATOM 0 HG23 ILE A 13 -5.400 2.312 6.616 1.00 33.12 H new ATOM 0 HD11 ILE A 13 -8.757 0.726 7.532 1.00 23.50 H new ATOM 0 HD12 ILE A 13 -6.999 0.934 7.344 1.00 23.50 H new ATOM 0 HD13 ILE A 13 -7.932 2.091 8.322 1.00 23.50 H new ATOM 206 N ILE A 14 -6.024 6.348 5.805 1.00 21.41 N ATOM 207 CA ILE A 14 -5.001 7.337 5.392 1.00 45.44 C ATOM 208 C ILE A 14 -4.700 8.352 6.512 1.00 63.44 C ATOM 209 O ILE A 14 -3.547 8.733 6.709 1.00 42.55 O ATOM 210 CB ILE A 14 -5.458 8.086 4.079 1.00 75.21 C ATOM 211 CG1 ILE A 14 -5.581 7.067 2.911 1.00 24.23 C ATOM 212 CG2 ILE A 14 -4.506 9.251 3.700 1.00 45.00 C ATOM 213 CD1 ILE A 14 -6.115 7.633 1.616 1.00 73.31 C ATOM 0 H ILE A 14 -6.871 6.387 5.238 1.00 21.41 H new ATOM 0 HA ILE A 14 -4.080 6.791 5.188 1.00 45.44 H new ATOM 0 HB ILE A 14 -6.433 8.534 4.273 1.00 75.21 H new ATOM 0 HG12 ILE A 14 -4.598 6.635 2.722 1.00 24.23 H new ATOM 0 HG13 ILE A 14 -6.232 6.252 3.228 1.00 24.23 H new ATOM 0 HG21 ILE A 14 -4.865 9.733 2.790 1.00 45.00 H new ATOM 0 HG22 ILE A 14 -4.481 9.979 4.511 1.00 45.00 H new ATOM 0 HG23 ILE A 14 -3.502 8.861 3.532 1.00 45.00 H new ATOM 0 HD11 ILE A 14 -6.162 6.844 0.866 1.00 73.31 H new ATOM 0 HD12 ILE A 14 -7.114 8.038 1.780 1.00 73.31 H new ATOM 0 HD13 ILE A 14 -5.455 8.427 1.266 1.00 73.31 H new ATOM 225 N GLU A 15 -5.748 8.750 7.261 1.00 43.52 N ATOM 226 CA GLU A 15 -5.634 9.734 8.363 1.00 64.05 C ATOM 227 C GLU A 15 -4.780 9.167 9.518 1.00 13.23 C ATOM 228 O GLU A 15 -3.979 9.888 10.119 1.00 31.23 O ATOM 229 CB GLU A 15 -7.050 10.143 8.859 1.00 30.51 C ATOM 230 CG GLU A 15 -7.933 10.793 7.776 1.00 0.31 C ATOM 231 CD GLU A 15 -9.346 11.138 8.274 1.00 73.33 C ATOM 232 OE1 GLU A 15 -9.693 12.336 8.370 1.00 53.23 O ATOM 233 OE2 GLU A 15 -10.113 10.207 8.582 1.00 42.54 O ATOM 0 H GLU A 15 -6.696 8.401 7.122 1.00 43.52 H new ATOM 0 HA GLU A 15 -5.130 10.625 7.988 1.00 64.05 H new ATOM 0 HB2 GLU A 15 -7.558 9.259 9.244 1.00 30.51 H new ATOM 0 HB3 GLU A 15 -6.945 10.838 9.692 1.00 30.51 H new ATOM 0 HG2 GLU A 15 -7.449 11.702 7.419 1.00 0.31 H new ATOM 0 HG3 GLU A 15 -8.010 10.117 6.925 1.00 0.31 H new ATOM 240 N GLU A 16 -4.945 7.860 9.775 1.00 42.43 N ATOM 241 CA GLU A 16 -4.173 7.114 10.793 1.00 23.34 C ATOM 242 C GLU A 16 -2.691 6.992 10.408 1.00 2.01 C ATOM 243 O GLU A 16 -1.800 7.248 11.224 1.00 42.30 O ATOM 244 CB GLU A 16 -4.785 5.704 10.957 1.00 21.22 C ATOM 245 CG GLU A 16 -6.188 5.695 11.577 1.00 44.15 C ATOM 246 CD GLU A 16 -6.199 6.117 13.050 1.00 20.30 C ATOM 247 OE1 GLU A 16 -5.586 5.406 13.871 1.00 41.43 O ATOM 248 OE2 GLU A 16 -6.847 7.127 13.401 1.00 74.41 O ATOM 0 H GLU A 16 -5.624 7.282 9.280 1.00 42.43 H new ATOM 0 HA GLU A 16 -4.226 7.664 11.733 1.00 23.34 H new ATOM 0 HB2 GLU A 16 -4.829 5.223 9.980 1.00 21.22 H new ATOM 0 HB3 GLU A 16 -4.122 5.102 11.578 1.00 21.22 H new ATOM 0 HG2 GLU A 16 -6.834 6.365 11.009 1.00 44.15 H new ATOM 0 HG3 GLU A 16 -6.611 4.694 11.489 1.00 44.15 H new ATOM 255 N VAL A 17 -2.452 6.593 9.155 1.00 70.14 N ATOM 256 CA VAL A 17 -1.105 6.389 8.614 1.00 71.25 C ATOM 257 C VAL A 17 -0.340 7.722 8.510 1.00 62.23 C ATOM 258 O VAL A 17 0.847 7.778 8.820 1.00 20.23 O ATOM 259 CB VAL A 17 -1.191 5.680 7.217 1.00 5.31 C ATOM 260 CG1 VAL A 17 0.180 5.595 6.514 1.00 72.04 C ATOM 261 CG2 VAL A 17 -1.825 4.275 7.359 1.00 32.03 C ATOM 0 H VAL A 17 -3.194 6.401 8.482 1.00 70.14 H new ATOM 0 HA VAL A 17 -0.551 5.747 9.298 1.00 71.25 H new ATOM 0 HB VAL A 17 -1.832 6.294 6.584 1.00 5.31 H new ATOM 0 HG11 VAL A 17 0.065 5.096 5.552 1.00 72.04 H new ATOM 0 HG12 VAL A 17 0.571 6.600 6.357 1.00 72.04 H new ATOM 0 HG13 VAL A 17 0.873 5.029 7.136 1.00 72.04 H new ATOM 0 HG21 VAL A 17 -1.876 3.798 6.380 1.00 32.03 H new ATOM 0 HG22 VAL A 17 -1.215 3.667 8.027 1.00 32.03 H new ATOM 0 HG23 VAL A 17 -2.830 4.369 7.770 1.00 32.03 H new ATOM 271 N SER A 18 -1.057 8.790 8.112 1.00 3.23 N ATOM 272 CA SER A 18 -0.481 10.133 7.947 1.00 11.12 C ATOM 273 C SER A 18 -0.198 10.778 9.315 1.00 15.01 C ATOM 274 O SER A 18 0.734 11.577 9.438 1.00 32.33 O ATOM 275 CB SER A 18 -1.423 11.025 7.107 1.00 1.12 C ATOM 276 OG SER A 18 -0.828 12.280 6.813 1.00 24.34 O ATOM 0 H SER A 18 -2.053 8.743 7.896 1.00 3.23 H new ATOM 0 HA SER A 18 0.466 10.037 7.416 1.00 11.12 H new ATOM 0 HB2 SER A 18 -1.676 10.515 6.178 1.00 1.12 H new ATOM 0 HB3 SER A 18 -2.356 11.182 7.649 1.00 1.12 H new ATOM 0 HG SER A 18 -1.449 12.819 6.280 1.00 24.34 H new ATOM 282 N LYS A 19 -1.017 10.423 10.335 1.00 21.11 N ATOM 283 CA LYS A 19 -0.799 10.862 11.727 1.00 23.53 C ATOM 284 C LYS A 19 0.490 10.232 12.265 1.00 23.41 C ATOM 285 O LYS A 19 1.361 10.933 12.762 1.00 12.35 O ATOM 286 CB LYS A 19 -2.015 10.496 12.637 1.00 43.34 C ATOM 287 CG LYS A 19 -1.848 10.813 14.153 1.00 15.24 C ATOM 288 CD LYS A 19 -1.490 12.288 14.456 1.00 1.14 C ATOM 289 CE LYS A 19 -2.555 13.294 13.996 1.00 64.12 C ATOM 290 NZ LYS A 19 -2.135 14.692 14.287 1.00 73.10 N ATOM 0 H LYS A 19 -1.838 9.830 10.214 1.00 21.11 H new ATOM 0 HA LYS A 19 -0.701 11.948 11.738 1.00 23.53 H new ATOM 0 HB2 LYS A 19 -2.893 11.027 12.269 1.00 43.34 H new ATOM 0 HB3 LYS A 19 -2.218 9.431 12.528 1.00 43.34 H new ATOM 0 HG2 LYS A 19 -2.774 10.562 14.670 1.00 15.24 H new ATOM 0 HG3 LYS A 19 -1.070 10.170 14.564 1.00 15.24 H new ATOM 0 HD2 LYS A 19 -1.337 12.401 15.529 1.00 1.14 H new ATOM 0 HD3 LYS A 19 -0.544 12.529 13.972 1.00 1.14 H new ATOM 0 HE2 LYS A 19 -2.730 13.179 12.926 1.00 64.12 H new ATOM 0 HE3 LYS A 19 -3.499 13.083 14.498 1.00 64.12 H new ATOM 0 HZ1 LYS A 19 -2.881 15.349 13.981 1.00 73.10 H new ATOM 0 HZ2 LYS A 19 -1.975 14.801 15.309 1.00 73.10 H new ATOM 0 HZ3 LYS A 19 -1.255 14.904 13.774 1.00 73.10 H new ATOM 304 N LYS A 20 0.612 8.904 12.108 1.00 4.13 N ATOM 305 CA LYS A 20 1.802 8.149 12.538 1.00 73.41 C ATOM 306 C LYS A 20 3.053 8.568 11.727 1.00 12.12 C ATOM 307 O LYS A 20 4.165 8.630 12.269 1.00 33.23 O ATOM 308 CB LYS A 20 1.501 6.625 12.429 1.00 44.45 C ATOM 309 CG LYS A 20 2.696 5.681 12.754 1.00 74.30 C ATOM 310 CD LYS A 20 2.265 4.346 13.417 1.00 12.21 C ATOM 311 CE LYS A 20 1.748 4.536 14.854 1.00 24.20 C ATOM 312 NZ LYS A 20 1.569 3.236 15.560 1.00 33.13 N ATOM 0 H LYS A 20 -0.110 8.324 11.680 1.00 4.13 H new ATOM 0 HA LYS A 20 2.029 8.379 13.579 1.00 73.41 H new ATOM 0 HB2 LYS A 20 0.678 6.386 13.103 1.00 44.45 H new ATOM 0 HB3 LYS A 20 1.157 6.412 11.417 1.00 44.45 H new ATOM 0 HG2 LYS A 20 3.237 5.463 11.834 1.00 74.30 H new ATOM 0 HG3 LYS A 20 3.389 6.200 13.416 1.00 74.30 H new ATOM 0 HD2 LYS A 20 1.486 3.880 12.814 1.00 12.21 H new ATOM 0 HD3 LYS A 20 3.112 3.660 13.428 1.00 12.21 H new ATOM 0 HE2 LYS A 20 2.448 5.158 15.412 1.00 24.20 H new ATOM 0 HE3 LYS A 20 0.798 5.069 14.830 1.00 24.20 H new ATOM 0 HZ1 LYS A 20 1.268 3.412 16.540 1.00 33.13 H new ATOM 0 HZ2 LYS A 20 0.844 2.672 15.071 1.00 33.13 H new ATOM 0 HZ3 LYS A 20 2.469 2.715 15.562 1.00 33.13 H new ATOM 326 N ALA A 21 2.836 8.922 10.448 1.00 0.32 N ATOM 327 CA ALA A 21 3.893 9.447 9.563 1.00 74.41 C ATOM 328 C ALA A 21 4.360 10.838 10.019 1.00 42.05 C ATOM 329 O ALA A 21 5.522 11.192 9.849 1.00 14.13 O ATOM 330 CB ALA A 21 3.396 9.512 8.116 1.00 53.23 C ATOM 0 H ALA A 21 1.923 8.853 9.998 1.00 0.32 H new ATOM 0 HA ALA A 21 4.742 8.765 9.619 1.00 74.41 H new ATOM 0 HB1 ALA A 21 4.188 9.901 7.476 1.00 53.23 H new ATOM 0 HB2 ALA A 21 3.118 8.513 7.782 1.00 53.23 H new ATOM 0 HB3 ALA A 21 2.528 10.168 8.059 1.00 53.23 H new ATOM 336 N GLU A 22 3.427 11.618 10.590 1.00 64.42 N ATOM 337 CA GLU A 22 3.701 12.966 11.115 1.00 31.24 C ATOM 338 C GLU A 22 4.514 12.881 12.417 1.00 41.34 C ATOM 339 O GLU A 22 5.562 13.529 12.540 1.00 54.55 O ATOM 340 CB GLU A 22 2.358 13.724 11.323 1.00 14.14 C ATOM 341 CG GLU A 22 2.490 15.177 11.820 1.00 21.52 C ATOM 342 CD GLU A 22 1.135 15.902 11.951 1.00 70.33 C ATOM 343 OE1 GLU A 22 0.418 15.675 12.946 1.00 10.34 O ATOM 344 OE2 GLU A 22 0.779 16.707 11.057 1.00 24.23 O ATOM 0 H GLU A 22 2.455 11.329 10.701 1.00 64.42 H new ATOM 0 HA GLU A 22 4.301 13.524 10.396 1.00 31.24 H new ATOM 0 HB2 GLU A 22 1.813 13.729 10.379 1.00 14.14 H new ATOM 0 HB3 GLU A 22 1.753 13.167 12.038 1.00 14.14 H new ATOM 0 HG2 GLU A 22 2.990 15.178 12.788 1.00 21.52 H new ATOM 0 HG3 GLU A 22 3.127 15.733 11.132 1.00 21.52 H new ATOM 351 N GLU A 23 4.037 12.039 13.360 1.00 61.34 N ATOM 352 CA GLU A 23 4.676 11.848 14.680 1.00 54.00 C ATOM 353 C GLU A 23 6.125 11.345 14.548 1.00 2.03 C ATOM 354 O GLU A 23 7.009 11.760 15.308 1.00 44.21 O ATOM 355 CB GLU A 23 3.866 10.847 15.559 1.00 51.43 C ATOM 356 CG GLU A 23 2.359 11.155 15.721 1.00 53.15 C ATOM 357 CD GLU A 23 2.064 12.620 16.088 1.00 2.54 C ATOM 358 OE1 GLU A 23 2.242 12.996 17.270 1.00 12.31 O ATOM 359 OE2 GLU A 23 1.657 13.404 15.203 1.00 63.32 O ATOM 0 H GLU A 23 3.199 11.473 13.227 1.00 61.34 H new ATOM 0 HA GLU A 23 4.688 12.825 15.162 1.00 54.00 H new ATOM 0 HB2 GLU A 23 3.969 9.851 15.129 1.00 51.43 H new ATOM 0 HB3 GLU A 23 4.319 10.815 16.550 1.00 51.43 H new ATOM 0 HG2 GLU A 23 1.845 10.912 14.791 1.00 53.15 H new ATOM 0 HG3 GLU A 23 1.945 10.506 16.493 1.00 53.15 H new ATOM 366 N GLU A 24 6.345 10.437 13.587 1.00 41.42 N ATOM 367 CA GLU A 24 7.662 9.822 13.349 1.00 63.52 C ATOM 368 C GLU A 24 8.492 10.589 12.291 1.00 42.13 C ATOM 369 O GLU A 24 9.697 10.331 12.139 1.00 71.03 O ATOM 370 CB GLU A 24 7.446 8.362 12.919 1.00 21.22 C ATOM 371 CG GLU A 24 6.765 7.461 13.977 1.00 32.32 C ATOM 372 CD GLU A 24 7.663 7.150 15.184 1.00 25.54 C ATOM 373 OE1 GLU A 24 7.614 7.886 16.198 1.00 25.43 O ATOM 374 OE2 GLU A 24 8.432 6.165 15.124 1.00 71.25 O ATOM 0 H GLU A 24 5.617 10.107 12.953 1.00 41.42 H new ATOM 0 HA GLU A 24 8.237 9.864 14.274 1.00 63.52 H new ATOM 0 HB2 GLU A 24 6.841 8.352 12.012 1.00 21.22 H new ATOM 0 HB3 GLU A 24 8.412 7.928 12.662 1.00 21.22 H new ATOM 0 HG2 GLU A 24 5.855 7.949 14.327 1.00 32.32 H new ATOM 0 HG3 GLU A 24 6.464 6.525 13.507 1.00 32.32 H new ATOM 381 N GLY A 25 7.841 11.512 11.566 1.00 41.14 N ATOM 382 CA GLY A 25 8.508 12.335 10.547 1.00 13.32 C ATOM 383 C GLY A 25 8.750 11.598 9.231 1.00 24.13 C ATOM 384 O GLY A 25 9.600 12.016 8.433 1.00 64.13 O ATOM 0 H GLY A 25 6.845 11.707 11.669 1.00 41.14 H new ATOM 0 HA2 GLY A 25 7.902 13.220 10.353 1.00 13.32 H new ATOM 0 HA3 GLY A 25 9.463 12.683 10.940 1.00 13.32 H new ATOM 388 N TYR A 26 8.028 10.474 9.016 1.00 44.41 N ATOM 389 CA TYR A 26 8.079 9.724 7.752 1.00 3.34 C ATOM 390 C TYR A 26 7.417 10.528 6.633 1.00 62.11 C ATOM 391 O TYR A 26 6.207 10.786 6.675 1.00 73.54 O ATOM 392 CB TYR A 26 7.398 8.336 7.876 1.00 42.12 C ATOM 393 CG TYR A 26 8.060 7.376 8.870 1.00 54.11 C ATOM 394 CD1 TYR A 26 9.443 7.202 8.888 1.00 10.23 C ATOM 395 CD2 TYR A 26 7.305 6.642 9.787 1.00 63.14 C ATOM 396 CE1 TYR A 26 10.048 6.337 9.778 1.00 41.35 C ATOM 397 CE2 TYR A 26 7.908 5.778 10.671 1.00 23.42 C ATOM 398 CZ TYR A 26 9.274 5.634 10.670 1.00 3.43 C ATOM 399 OH TYR A 26 9.867 4.786 11.576 1.00 34.55 O ATOM 0 H TYR A 26 7.401 10.069 9.711 1.00 44.41 H new ATOM 0 HA TYR A 26 9.130 9.561 7.512 1.00 3.34 H new ATOM 0 HB2 TYR A 26 6.359 8.483 8.173 1.00 42.12 H new ATOM 0 HB3 TYR A 26 7.385 7.865 6.893 1.00 42.12 H new ATOM 0 HD1 TYR A 26 10.054 7.756 8.191 1.00 10.23 H new ATOM 0 HD2 TYR A 26 6.231 6.754 9.802 1.00 63.14 H new ATOM 0 HE1 TYR A 26 11.121 6.214 9.773 1.00 41.35 H new ATOM 0 HE2 TYR A 26 7.307 5.212 11.367 1.00 23.42 H new ATOM 0 HH TYR A 26 10.234 5.307 12.320 1.00 34.55 H new ATOM 409 N ASP A 27 8.219 10.932 5.647 1.00 31.14 N ATOM 410 CA ASP A 27 7.735 11.665 4.484 1.00 33.05 C ATOM 411 C ASP A 27 7.035 10.681 3.531 1.00 53.44 C ATOM 412 O ASP A 27 7.693 9.847 2.898 1.00 63.24 O ATOM 413 CB ASP A 27 8.916 12.402 3.802 1.00 63.51 C ATOM 414 CG ASP A 27 8.475 13.267 2.613 1.00 74.45 C ATOM 415 OD1 ASP A 27 8.908 13.012 1.468 1.00 61.04 O ATOM 416 OD2 ASP A 27 7.672 14.205 2.819 1.00 65.21 O ATOM 0 H ASP A 27 9.224 10.758 5.635 1.00 31.14 H new ATOM 0 HA ASP A 27 7.010 12.422 4.781 1.00 33.05 H new ATOM 0 HB2 ASP A 27 9.417 13.032 4.537 1.00 63.51 H new ATOM 0 HB3 ASP A 27 9.646 11.669 3.460 1.00 63.51 H new ATOM 421 N ILE A 28 5.690 10.727 3.500 1.00 43.24 N ATOM 422 CA ILE A 28 4.858 9.829 2.682 1.00 62.41 C ATOM 423 C ILE A 28 3.891 10.666 1.830 1.00 22.55 C ATOM 424 O ILE A 28 3.206 11.540 2.369 1.00 24.34 O ATOM 425 CB ILE A 28 3.997 8.846 3.573 1.00 2.12 C ATOM 426 CG1 ILE A 28 4.871 8.070 4.609 1.00 61.44 C ATOM 427 CG2 ILE A 28 3.209 7.868 2.680 1.00 3.12 C ATOM 428 CD1 ILE A 28 4.098 7.069 5.460 1.00 22.43 C ATOM 0 H ILE A 28 5.147 11.395 4.047 1.00 43.24 H new ATOM 0 HA ILE A 28 5.530 9.240 2.058 1.00 62.41 H new ATOM 0 HB ILE A 28 3.293 9.452 4.143 1.00 2.12 H new ATOM 0 HG12 ILE A 28 5.661 7.541 4.076 1.00 61.44 H new ATOM 0 HG13 ILE A 28 5.357 8.790 5.268 1.00 61.44 H new ATOM 0 HG21 ILE A 28 2.621 7.197 3.306 1.00 3.12 H new ATOM 0 HG22 ILE A 28 2.543 8.430 2.024 1.00 3.12 H new ATOM 0 HG23 ILE A 28 3.905 7.285 2.077 1.00 3.12 H new ATOM 0 HD11 ILE A 28 4.781 6.575 6.151 1.00 22.43 H new ATOM 0 HD12 ILE A 28 3.325 7.591 6.024 1.00 22.43 H new ATOM 0 HD13 ILE A 28 3.634 6.324 4.814 1.00 22.43 H new ATOM 440 N GLN A 29 3.845 10.416 0.506 1.00 31.33 N ATOM 441 CA GLN A 29 2.787 10.951 -0.362 1.00 1.14 C ATOM 442 C GLN A 29 1.527 10.104 -0.147 1.00 32.30 C ATOM 443 O GLN A 29 1.465 8.953 -0.581 1.00 63.02 O ATOM 444 CB GLN A 29 3.237 10.890 -1.850 1.00 13.24 C ATOM 445 CG GLN A 29 2.170 11.294 -2.904 1.00 34.34 C ATOM 446 CD GLN A 29 1.825 12.784 -2.902 1.00 1.34 C ATOM 447 OE1 GLN A 29 2.430 13.573 -3.629 1.00 3.34 O ATOM 448 NE2 GLN A 29 0.864 13.186 -2.085 1.00 33.14 N ATOM 0 H GLN A 29 4.533 9.844 0.017 1.00 31.33 H new ATOM 0 HA GLN A 29 2.582 11.993 -0.116 1.00 1.14 H new ATOM 0 HB2 GLN A 29 4.104 11.539 -1.973 1.00 13.24 H new ATOM 0 HB3 GLN A 29 3.566 9.874 -2.067 1.00 13.24 H new ATOM 0 HG2 GLN A 29 2.530 11.016 -3.895 1.00 34.34 H new ATOM 0 HG3 GLN A 29 1.261 10.721 -2.723 1.00 34.34 H new ATOM 0 HE21 GLN A 29 0.380 12.509 -1.495 1.00 33.14 H new ATOM 0 HE22 GLN A 29 0.607 14.172 -2.046 1.00 33.14 H new ATOM 457 N THR A 30 0.541 10.664 0.545 1.00 70.22 N ATOM 458 CA THR A 30 -0.737 9.990 0.820 1.00 53.12 C ATOM 459 C THR A 30 -1.797 10.479 -0.186 1.00 2.34 C ATOM 460 O THR A 30 -1.810 11.664 -0.542 1.00 73.32 O ATOM 461 CB THR A 30 -1.192 10.257 2.294 1.00 61.50 C ATOM 462 OG1 THR A 30 -1.137 11.663 2.584 1.00 24.53 O ATOM 463 CG2 THR A 30 -0.330 9.497 3.328 1.00 52.52 C ATOM 0 H THR A 30 0.600 11.604 0.936 1.00 70.22 H new ATOM 0 HA THR A 30 -0.612 8.913 0.704 1.00 53.12 H new ATOM 0 HB THR A 30 -2.216 9.892 2.376 1.00 61.50 H new ATOM 0 HG1 THR A 30 -1.425 11.818 3.508 1.00 24.53 H new ATOM 0 HG21 THR A 30 -0.689 9.718 4.333 1.00 52.52 H new ATOM 0 HG22 THR A 30 -0.402 8.425 3.144 1.00 52.52 H new ATOM 0 HG23 THR A 30 0.710 9.811 3.236 1.00 52.52 H new ATOM 471 N SER A 31 -2.660 9.560 -0.655 1.00 53.34 N ATOM 472 CA SER A 31 -3.677 9.845 -1.682 1.00 51.53 C ATOM 473 C SER A 31 -4.843 8.850 -1.568 1.00 3.15 C ATOM 474 O SER A 31 -4.630 7.661 -1.294 1.00 25.23 O ATOM 475 CB SER A 31 -3.029 9.771 -3.089 1.00 35.22 C ATOM 476 OG SER A 31 -3.968 9.983 -4.138 1.00 54.21 O ATOM 0 H SER A 31 -2.671 8.593 -0.330 1.00 53.34 H new ATOM 0 HA SER A 31 -4.072 10.849 -1.528 1.00 51.53 H new ATOM 0 HB2 SER A 31 -2.237 10.517 -3.160 1.00 35.22 H new ATOM 0 HB3 SER A 31 -2.560 8.795 -3.218 1.00 35.22 H new ATOM 0 HG SER A 31 -4.128 9.139 -4.609 1.00 54.21 H new ATOM 482 N ASN A 32 -6.073 9.365 -1.754 1.00 11.45 N ATOM 483 CA ASN A 32 -7.305 8.556 -1.812 1.00 24.14 C ATOM 484 C ASN A 32 -7.485 7.991 -3.222 1.00 22.41 C ATOM 485 O ASN A 32 -7.854 6.822 -3.398 1.00 14.53 O ATOM 486 CB ASN A 32 -8.543 9.414 -1.422 1.00 65.41 C ATOM 487 CG ASN A 32 -8.532 9.849 0.042 1.00 40.34 C ATOM 488 OD1 ASN A 32 -7.968 10.884 0.397 1.00 11.14 O ATOM 489 ND2 ASN A 32 -9.146 9.059 0.911 1.00 3.21 N ATOM 0 H ASN A 32 -6.241 10.364 -1.869 1.00 11.45 H new ATOM 0 HA ASN A 32 -7.217 7.734 -1.101 1.00 24.14 H new ATOM 0 HB2 ASN A 32 -8.579 10.299 -2.058 1.00 65.41 H new ATOM 0 HB3 ASN A 32 -9.450 8.843 -1.618 1.00 65.41 H new ATOM 0 HD21 ASN A 32 -9.159 9.303 1.901 1.00 3.21 H new ATOM 0 HD22 ASN A 32 -9.606 8.207 0.590 1.00 3.21 H new ATOM 496 N ASP A 33 -7.224 8.852 -4.224 1.00 1.20 N ATOM 497 CA ASP A 33 -7.398 8.509 -5.640 1.00 43.44 C ATOM 498 C ASP A 33 -6.295 7.542 -6.107 1.00 13.13 C ATOM 499 O ASP A 33 -5.114 7.909 -6.187 1.00 31.03 O ATOM 500 CB ASP A 33 -7.432 9.780 -6.535 1.00 31.55 C ATOM 501 CG ASP A 33 -7.576 9.458 -8.042 1.00 61.12 C ATOM 502 OD1 ASP A 33 -6.830 10.020 -8.866 1.00 73.42 O ATOM 503 OD2 ASP A 33 -8.428 8.622 -8.405 1.00 0.15 O ATOM 0 H ASP A 33 -6.887 9.802 -4.070 1.00 1.20 H new ATOM 0 HA ASP A 33 -8.361 8.008 -5.742 1.00 43.44 H new ATOM 0 HB2 ASP A 33 -8.262 10.414 -6.224 1.00 31.55 H new ATOM 0 HB3 ASP A 33 -6.518 10.352 -6.378 1.00 31.55 H new ATOM 508 N LYS A 34 -6.713 6.294 -6.370 1.00 65.35 N ATOM 509 CA LYS A 34 -5.846 5.236 -6.908 1.00 45.32 C ATOM 510 C LYS A 34 -5.341 5.568 -8.325 1.00 23.11 C ATOM 511 O LYS A 34 -4.223 5.204 -8.671 1.00 13.55 O ATOM 512 CB LYS A 34 -6.597 3.872 -6.884 1.00 12.20 C ATOM 513 CG LYS A 34 -7.793 3.782 -7.861 1.00 1.21 C ATOM 514 CD LYS A 34 -8.620 2.486 -7.719 1.00 20.54 C ATOM 515 CE LYS A 34 -9.376 2.397 -6.382 1.00 11.12 C ATOM 516 NZ LYS A 34 -10.463 3.408 -6.273 1.00 72.34 N ATOM 0 H LYS A 34 -7.673 5.989 -6.213 1.00 65.35 H new ATOM 0 HA LYS A 34 -4.965 5.166 -6.270 1.00 45.32 H new ATOM 0 HB2 LYS A 34 -5.889 3.078 -7.121 1.00 12.20 H new ATOM 0 HB3 LYS A 34 -6.956 3.687 -5.872 1.00 12.20 H new ATOM 0 HG2 LYS A 34 -8.447 4.639 -7.699 1.00 1.21 H new ATOM 0 HG3 LYS A 34 -7.421 3.854 -8.883 1.00 1.21 H new ATOM 0 HD2 LYS A 34 -9.336 2.427 -8.539 1.00 20.54 H new ATOM 0 HD3 LYS A 34 -7.956 1.626 -7.812 1.00 20.54 H new ATOM 0 HE2 LYS A 34 -9.801 1.399 -6.274 1.00 11.12 H new ATOM 0 HE3 LYS A 34 -8.673 2.535 -5.561 1.00 11.12 H new ATOM 0 HZ1 LYS A 34 -10.974 3.273 -5.377 1.00 72.34 H new ATOM 0 HZ2 LYS A 34 -10.052 4.363 -6.297 1.00 72.34 H new ATOM 0 HZ3 LYS A 34 -11.123 3.295 -7.068 1.00 72.34 H new ATOM 530 N LYS A 35 -6.154 6.306 -9.110 1.00 44.10 N ATOM 531 CA LYS A 35 -5.844 6.609 -10.525 1.00 64.11 C ATOM 532 C LYS A 35 -4.635 7.553 -10.637 1.00 14.21 C ATOM 533 O LYS A 35 -3.847 7.453 -11.586 1.00 71.11 O ATOM 534 CB LYS A 35 -7.083 7.206 -11.234 1.00 12.25 C ATOM 535 CG LYS A 35 -8.367 6.337 -11.137 1.00 73.42 C ATOM 536 CD LYS A 35 -8.174 4.866 -11.594 1.00 0.41 C ATOM 537 CE LYS A 35 -7.743 4.742 -13.064 1.00 12.52 C ATOM 538 NZ LYS A 35 -8.782 5.238 -14.008 1.00 42.31 N ATOM 0 H LYS A 35 -7.035 6.705 -8.786 1.00 44.10 H new ATOM 0 HA LYS A 35 -5.581 5.676 -11.024 1.00 64.11 H new ATOM 0 HB2 LYS A 35 -7.291 8.187 -10.807 1.00 12.25 H new ATOM 0 HB3 LYS A 35 -6.844 7.360 -12.286 1.00 12.25 H new ATOM 0 HG2 LYS A 35 -8.719 6.342 -10.105 1.00 73.42 H new ATOM 0 HG3 LYS A 35 -9.149 6.795 -11.743 1.00 73.42 H new ATOM 0 HD2 LYS A 35 -7.425 4.391 -10.961 1.00 0.41 H new ATOM 0 HD3 LYS A 35 -9.107 4.321 -11.448 1.00 0.41 H new ATOM 0 HE2 LYS A 35 -6.821 5.302 -13.217 1.00 12.52 H new ATOM 0 HE3 LYS A 35 -7.523 3.698 -13.288 1.00 12.52 H new ATOM 0 HZ1 LYS A 35 -8.456 5.101 -14.986 1.00 42.31 H new ATOM 0 HZ2 LYS A 35 -9.666 4.710 -13.860 1.00 42.31 H new ATOM 0 HZ3 LYS A 35 -8.951 6.250 -13.838 1.00 42.31 H new ATOM 552 N GLU A 36 -4.495 8.440 -9.634 1.00 4.43 N ATOM 553 CA GLU A 36 -3.321 9.311 -9.473 1.00 61.00 C ATOM 554 C GLU A 36 -2.065 8.449 -9.301 1.00 60.25 C ATOM 555 O GLU A 36 -1.092 8.602 -10.031 1.00 4.40 O ATOM 556 CB GLU A 36 -3.522 10.245 -8.236 1.00 32.53 C ATOM 557 CG GLU A 36 -2.327 11.166 -7.878 1.00 1.14 C ATOM 558 CD GLU A 36 -1.906 12.128 -9.005 1.00 73.24 C ATOM 559 OE1 GLU A 36 -0.747 12.052 -9.471 1.00 72.05 O ATOM 560 OE2 GLU A 36 -2.723 12.978 -9.419 1.00 41.04 O ATOM 0 H GLU A 36 -5.200 8.571 -8.909 1.00 4.43 H new ATOM 0 HA GLU A 36 -3.201 9.933 -10.360 1.00 61.00 H new ATOM 0 HB2 GLU A 36 -4.396 10.871 -8.417 1.00 32.53 H new ATOM 0 HB3 GLU A 36 -3.748 9.624 -7.370 1.00 32.53 H new ATOM 0 HG2 GLU A 36 -2.586 11.751 -6.995 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -1.473 10.545 -7.609 1.00 1.14 H new ATOM 567 N ILE A 37 -2.155 7.489 -8.375 1.00 61.43 N ATOM 568 CA ILE A 37 -1.022 6.662 -7.946 1.00 11.23 C ATOM 569 C ILE A 37 -0.540 5.693 -9.054 1.00 54.35 C ATOM 570 O ILE A 37 0.673 5.519 -9.234 1.00 5.11 O ATOM 571 CB ILE A 37 -1.412 5.887 -6.645 1.00 32.41 C ATOM 572 CG1 ILE A 37 -1.842 6.885 -5.522 1.00 4.21 C ATOM 573 CG2 ILE A 37 -0.272 4.984 -6.160 1.00 74.13 C ATOM 574 CD1 ILE A 37 -0.809 7.962 -5.200 1.00 62.34 C ATOM 0 H ILE A 37 -3.027 7.262 -7.897 1.00 61.43 H new ATOM 0 HA ILE A 37 -0.180 7.322 -7.738 1.00 11.23 H new ATOM 0 HB ILE A 37 -2.259 5.244 -6.884 1.00 32.41 H new ATOM 0 HG12 ILE A 37 -2.772 7.369 -5.821 1.00 4.21 H new ATOM 0 HG13 ILE A 37 -2.054 6.320 -4.614 1.00 4.21 H new ATOM 0 HG21 ILE A 37 -0.581 4.462 -5.254 1.00 74.13 H new ATOM 0 HG22 ILE A 37 -0.031 4.255 -6.934 1.00 74.13 H new ATOM 0 HG23 ILE A 37 0.608 5.591 -5.947 1.00 74.13 H new ATOM 0 HD11 ILE A 37 -1.192 8.609 -4.410 1.00 62.34 H new ATOM 0 HD12 ILE A 37 0.116 7.491 -4.867 1.00 62.34 H new ATOM 0 HD13 ILE A 37 -0.613 8.556 -6.092 1.00 62.34 H new ATOM 586 N ILE A 38 -1.496 5.098 -9.801 1.00 55.42 N ATOM 587 CA ILE A 38 -1.204 4.230 -10.968 1.00 61.03 C ATOM 588 C ILE A 38 -0.390 5.023 -12.016 1.00 75.45 C ATOM 589 O ILE A 38 0.573 4.510 -12.610 1.00 54.13 O ATOM 590 CB ILE A 38 -2.537 3.681 -11.628 1.00 14.35 C ATOM 591 CG1 ILE A 38 -3.346 2.808 -10.613 1.00 2.53 C ATOM 592 CG2 ILE A 38 -2.250 2.888 -12.933 1.00 2.13 C ATOM 593 CD1 ILE A 38 -4.722 2.365 -11.095 1.00 0.31 C ATOM 0 H ILE A 38 -2.493 5.205 -9.613 1.00 55.42 H new ATOM 0 HA ILE A 38 -0.624 3.376 -10.619 1.00 61.03 H new ATOM 0 HB ILE A 38 -3.145 4.545 -11.897 1.00 14.35 H new ATOM 0 HG12 ILE A 38 -2.760 1.921 -10.372 1.00 2.53 H new ATOM 0 HG13 ILE A 38 -3.466 3.372 -9.688 1.00 2.53 H new ATOM 0 HG21 ILE A 38 -3.189 2.529 -13.354 1.00 2.13 H new ATOM 0 HG22 ILE A 38 -1.755 3.539 -13.653 1.00 2.13 H new ATOM 0 HG23 ILE A 38 -1.605 2.039 -12.708 1.00 2.13 H new ATOM 0 HD11 ILE A 38 -5.203 1.766 -10.322 1.00 0.31 H new ATOM 0 HD12 ILE A 38 -5.333 3.242 -11.307 1.00 0.31 H new ATOM 0 HD13 ILE A 38 -4.616 1.769 -12.002 1.00 0.31 H new ATOM 605 N ASP A 39 -0.772 6.305 -12.174 1.00 52.14 N ATOM 606 CA ASP A 39 -0.145 7.232 -13.121 1.00 20.12 C ATOM 607 C ASP A 39 1.293 7.580 -12.684 1.00 54.03 C ATOM 608 O ASP A 39 2.178 7.680 -13.520 1.00 4.54 O ATOM 609 CB ASP A 39 -1.005 8.514 -13.281 1.00 33.45 C ATOM 610 CG ASP A 39 -0.600 9.341 -14.512 1.00 73.23 C ATOM 611 OD1 ASP A 39 -1.001 8.965 -15.636 1.00 12.13 O ATOM 612 OD2 ASP A 39 0.112 10.357 -14.376 1.00 30.33 O ATOM 0 H ASP A 39 -1.533 6.725 -11.640 1.00 52.14 H new ATOM 0 HA ASP A 39 -0.087 6.739 -14.092 1.00 20.12 H new ATOM 0 HB2 ASP A 39 -2.056 8.236 -13.363 1.00 33.45 H new ATOM 0 HB3 ASP A 39 -0.907 9.128 -12.386 1.00 33.45 H new ATOM 617 N ARG A 40 1.521 7.711 -11.356 1.00 34.04 N ATOM 618 CA ARG A 40 2.864 8.018 -10.790 1.00 30.22 C ATOM 619 C ARG A 40 3.814 6.813 -10.942 1.00 1.11 C ATOM 620 O ARG A 40 5.030 6.977 -11.090 1.00 61.21 O ATOM 621 CB ARG A 40 2.758 8.415 -9.290 1.00 45.54 C ATOM 622 CG ARG A 40 1.714 9.505 -8.998 1.00 63.13 C ATOM 623 CD ARG A 40 1.563 9.829 -7.498 1.00 14.21 C ATOM 624 NE ARG A 40 2.535 10.827 -7.032 1.00 42.23 N ATOM 625 CZ ARG A 40 2.268 12.135 -6.894 1.00 4.34 C ATOM 626 NH1 ARG A 40 1.064 12.623 -7.176 1.00 22.42 N ATOM 627 NH2 ARG A 40 3.206 12.958 -6.477 1.00 35.21 N ATOM 0 H ARG A 40 0.791 7.609 -10.651 1.00 34.04 H new ATOM 0 HA ARG A 40 3.271 8.861 -11.349 1.00 30.22 H new ATOM 0 HB2 ARG A 40 2.512 7.527 -8.707 1.00 45.54 H new ATOM 0 HB3 ARG A 40 3.733 8.761 -8.948 1.00 45.54 H new ATOM 0 HG2 ARG A 40 1.991 10.414 -9.531 1.00 63.13 H new ATOM 0 HG3 ARG A 40 0.749 9.186 -9.391 1.00 63.13 H new ATOM 0 HD2 ARG A 40 0.554 10.195 -7.310 1.00 14.21 H new ATOM 0 HD3 ARG A 40 1.683 8.913 -6.919 1.00 14.21 H new ATOM 0 HE ARG A 40 3.474 10.505 -6.798 1.00 42.23 H new ATOM 0 HH11 ARG A 40 0.325 12.000 -7.503 1.00 22.42 H new ATOM 0 HH12 ARG A 40 0.879 13.620 -7.065 1.00 22.42 H new ATOM 0 HH21 ARG A 40 4.137 12.602 -6.258 1.00 35.21 H new ATOM 0 HH22 ARG A 40 3.003 13.952 -6.372 1.00 35.21 H new ATOM 641 N LEU A 41 3.226 5.601 -10.888 1.00 54.14 N ATOM 642 CA LEU A 41 3.936 4.332 -11.144 1.00 21.11 C ATOM 643 C LEU A 41 4.332 4.221 -12.635 1.00 12.45 C ATOM 644 O LEU A 41 5.381 3.658 -12.960 1.00 64.20 O ATOM 645 CB LEU A 41 3.050 3.129 -10.708 1.00 34.11 C ATOM 646 CG LEU A 41 2.795 2.975 -9.170 1.00 62.14 C ATOM 647 CD1 LEU A 41 1.638 1.986 -8.879 1.00 2.53 C ATOM 648 CD2 LEU A 41 4.086 2.541 -8.443 1.00 50.44 C ATOM 0 H LEU A 41 2.239 5.475 -10.664 1.00 54.14 H new ATOM 0 HA LEU A 41 4.853 4.315 -10.555 1.00 21.11 H new ATOM 0 HB2 LEU A 41 2.085 3.216 -11.208 1.00 34.11 H new ATOM 0 HB3 LEU A 41 3.515 2.212 -11.071 1.00 34.11 H new ATOM 0 HG LEU A 41 2.495 3.950 -8.786 1.00 62.14 H new ATOM 0 HD11 LEU A 41 1.491 1.905 -7.802 1.00 2.53 H new ATOM 0 HD12 LEU A 41 0.722 2.350 -9.344 1.00 2.53 H new ATOM 0 HD13 LEU A 41 1.886 1.006 -9.286 1.00 2.53 H new ATOM 0 HD21 LEU A 41 3.886 2.440 -7.376 1.00 50.44 H new ATOM 0 HD22 LEU A 41 4.424 1.584 -8.841 1.00 50.44 H new ATOM 0 HD23 LEU A 41 4.861 3.292 -8.598 1.00 50.44 H new ATOM 660 N LYS A 42 3.489 4.785 -13.531 1.00 44.32 N ATOM 661 CA LYS A 42 3.808 4.919 -14.977 1.00 24.03 C ATOM 662 C LYS A 42 5.034 5.848 -15.186 1.00 34.03 C ATOM 663 O LYS A 42 5.886 5.573 -16.030 1.00 22.51 O ATOM 664 CB LYS A 42 2.592 5.474 -15.773 1.00 61.01 C ATOM 665 CG LYS A 42 1.354 4.555 -15.799 1.00 33.13 C ATOM 666 CD LYS A 42 0.130 5.229 -16.465 1.00 63.14 C ATOM 667 CE LYS A 42 -1.100 4.313 -16.535 1.00 22.21 C ATOM 668 NZ LYS A 42 -0.896 3.154 -17.450 1.00 41.24 N ATOM 0 H LYS A 42 2.574 5.158 -13.277 1.00 44.32 H new ATOM 0 HA LYS A 42 4.046 3.924 -15.352 1.00 24.03 H new ATOM 0 HB2 LYS A 42 2.304 6.434 -15.344 1.00 61.01 H new ATOM 0 HB3 LYS A 42 2.906 5.665 -16.799 1.00 61.01 H new ATOM 0 HG2 LYS A 42 1.597 3.638 -16.336 1.00 33.13 H new ATOM 0 HG3 LYS A 42 1.097 4.268 -14.779 1.00 33.13 H new ATOM 0 HD2 LYS A 42 -0.127 6.131 -15.909 1.00 63.14 H new ATOM 0 HD3 LYS A 42 0.400 5.542 -17.474 1.00 63.14 H new ATOM 0 HE2 LYS A 42 -1.333 3.946 -15.535 1.00 22.21 H new ATOM 0 HE3 LYS A 42 -1.961 4.891 -16.872 1.00 22.21 H new ATOM 0 HZ1 LYS A 42 -1.817 2.820 -17.797 1.00 41.24 H new ATOM 0 HZ2 LYS A 42 -0.308 3.447 -18.256 1.00 41.24 H new ATOM 0 HZ3 LYS A 42 -0.420 2.385 -16.936 1.00 41.24 H new ATOM 682 N ARG A 43 5.108 6.936 -14.383 1.00 2.52 N ATOM 683 CA ARG A 43 6.238 7.903 -14.426 1.00 44.45 C ATOM 684 C ARG A 43 7.480 7.309 -13.720 1.00 52.43 C ATOM 685 O ARG A 43 8.599 7.804 -13.899 1.00 12.41 O ATOM 686 CB ARG A 43 5.856 9.245 -13.724 1.00 3.13 C ATOM 687 CG ARG A 43 4.427 9.749 -13.996 1.00 63.30 C ATOM 688 CD ARG A 43 4.093 11.054 -13.248 1.00 70.10 C ATOM 689 NE ARG A 43 2.641 11.232 -13.067 1.00 53.30 N ATOM 690 CZ ARG A 43 2.055 11.822 -12.008 1.00 50.43 C ATOM 691 NH1 ARG A 43 2.781 12.316 -10.997 1.00 44.42 N ATOM 692 NH2 ARG A 43 0.733 11.895 -11.961 1.00 54.44 N ATOM 0 H ARG A 43 4.395 7.169 -13.692 1.00 2.52 H new ATOM 0 HA ARG A 43 6.464 8.099 -15.474 1.00 44.45 H new ATOM 0 HB2 ARG A 43 5.981 9.121 -12.648 1.00 3.13 H new ATOM 0 HB3 ARG A 43 6.561 10.014 -14.040 1.00 3.13 H new ATOM 0 HG2 ARG A 43 4.302 9.909 -15.067 1.00 63.30 H new ATOM 0 HG3 ARG A 43 3.714 8.978 -13.704 1.00 63.30 H new ATOM 0 HD2 ARG A 43 4.582 11.048 -12.274 1.00 70.10 H new ATOM 0 HD3 ARG A 43 4.496 11.902 -13.802 1.00 70.10 H new ATOM 0 HE ARG A 43 2.030 10.879 -13.804 1.00 53.30 H new ATOM 0 HH11 ARG A 43 3.799 12.249 -11.020 1.00 44.42 H new ATOM 0 HH12 ARG A 43 2.316 12.759 -10.204 1.00 44.42 H new ATOM 0 HH21 ARG A 43 0.173 11.507 -12.721 1.00 54.44 H new ATOM 0 HH22 ARG A 43 0.275 12.339 -11.165 1.00 54.44 H new ATOM 706 N ARG A 44 7.226 6.262 -12.891 1.00 53.12 N ATOM 707 CA ARG A 44 8.232 5.530 -12.099 1.00 34.13 C ATOM 708 C ARG A 44 8.793 6.409 -10.953 1.00 32.41 C ATOM 709 O ARG A 44 9.871 6.142 -10.408 1.00 51.13 O ATOM 710 CB ARG A 44 9.347 4.959 -13.029 1.00 15.53 C ATOM 711 CG ARG A 44 10.057 3.696 -12.498 1.00 73.43 C ATOM 712 CD ARG A 44 11.057 3.135 -13.513 1.00 61.22 C ATOM 713 NE ARG A 44 11.595 1.827 -13.115 1.00 42.32 N ATOM 714 CZ ARG A 44 12.465 1.104 -13.838 1.00 63.22 C ATOM 715 NH1 ARG A 44 12.931 1.552 -15.010 1.00 15.44 N ATOM 716 NH2 ARG A 44 12.846 -0.080 -13.398 1.00 21.45 N ATOM 0 H ARG A 44 6.283 5.898 -12.756 1.00 53.12 H new ATOM 0 HA ARG A 44 7.750 4.678 -11.619 1.00 34.13 H new ATOM 0 HB2 ARG A 44 8.907 4.729 -13.999 1.00 15.53 H new ATOM 0 HB3 ARG A 44 10.094 5.735 -13.194 1.00 15.53 H new ATOM 0 HG2 ARG A 44 10.577 3.934 -11.570 1.00 73.43 H new ATOM 0 HG3 ARG A 44 9.314 2.934 -12.261 1.00 73.43 H new ATOM 0 HD2 ARG A 44 10.570 3.043 -14.484 1.00 61.22 H new ATOM 0 HD3 ARG A 44 11.879 3.840 -13.634 1.00 61.22 H new ATOM 0 HE ARG A 44 11.285 1.440 -12.224 1.00 42.32 H new ATOM 0 HH11 ARG A 44 12.626 2.457 -15.368 1.00 15.44 H new ATOM 0 HH12 ARG A 44 13.592 0.988 -15.545 1.00 15.44 H new ATOM 0 HH21 ARG A 44 12.480 -0.438 -12.516 1.00 21.45 H new ATOM 0 HH22 ARG A 44 13.507 -0.637 -13.940 1.00 21.45 H new ATOM 730 N ASN A 45 7.995 7.429 -10.558 1.00 32.24 N ATOM 731 CA ASN A 45 8.338 8.378 -9.466 1.00 14.35 C ATOM 732 C ASN A 45 8.440 7.673 -8.100 1.00 12.21 C ATOM 733 O ASN A 45 9.145 8.149 -7.207 1.00 62.21 O ATOM 734 CB ASN A 45 7.279 9.520 -9.352 1.00 44.01 C ATOM 735 CG ASN A 45 7.185 10.471 -10.549 1.00 32.14 C ATOM 736 OD1 ASN A 45 6.126 11.047 -10.797 1.00 21.25 O ATOM 737 ND2 ASN A 45 8.271 10.663 -11.295 1.00 43.12 N ATOM 0 H ASN A 45 7.090 7.620 -10.988 1.00 32.24 H new ATOM 0 HA ASN A 45 9.310 8.798 -9.726 1.00 14.35 H new ATOM 0 HB2 ASN A 45 6.300 9.066 -9.196 1.00 44.01 H new ATOM 0 HB3 ASN A 45 7.503 10.109 -8.462 1.00 44.01 H new ATOM 0 HD21 ASN A 45 8.237 11.299 -12.092 1.00 43.12 H new ATOM 0 HD22 ASN A 45 9.137 10.174 -11.070 1.00 43.12 H new ATOM 744 N ILE A 46 7.747 6.533 -7.969 1.00 50.33 N ATOM 745 CA ILE A 46 7.574 5.823 -6.688 1.00 1.15 C ATOM 746 C ILE A 46 8.622 4.699 -6.562 1.00 22.13 C ATOM 747 O ILE A 46 8.855 3.956 -7.523 1.00 51.14 O ATOM 748 CB ILE A 46 6.121 5.225 -6.571 1.00 51.12 C ATOM 749 CG1 ILE A 46 5.053 6.333 -6.855 1.00 73.33 C ATOM 750 CG2 ILE A 46 5.899 4.568 -5.185 1.00 44.34 C ATOM 751 CD1 ILE A 46 3.602 5.906 -6.690 1.00 2.21 C ATOM 0 H ILE A 46 7.286 6.072 -8.754 1.00 50.33 H new ATOM 0 HA ILE A 46 7.717 6.537 -5.877 1.00 1.15 H new ATOM 0 HB ILE A 46 6.007 4.444 -7.323 1.00 51.12 H new ATOM 0 HG12 ILE A 46 5.243 7.175 -6.189 1.00 73.33 H new ATOM 0 HG13 ILE A 46 5.193 6.695 -7.874 1.00 73.33 H new ATOM 0 HG21 ILE A 46 4.888 4.164 -5.132 1.00 44.34 H new ATOM 0 HG22 ILE A 46 6.620 3.763 -5.044 1.00 44.34 H new ATOM 0 HG23 ILE A 46 6.033 5.315 -4.403 1.00 44.34 H new ATOM 0 HD11 ILE A 46 2.947 6.749 -6.911 1.00 2.21 H new ATOM 0 HD12 ILE A 46 3.383 5.087 -7.376 1.00 2.21 H new ATOM 0 HD13 ILE A 46 3.434 5.575 -5.665 1.00 2.21 H new ATOM 763 N ASP A 47 9.276 4.613 -5.389 1.00 52.32 N ATOM 764 CA ASP A 47 10.232 3.530 -5.076 1.00 32.54 C ATOM 765 C ASP A 47 9.534 2.438 -4.265 1.00 11.22 C ATOM 766 O ASP A 47 9.694 1.243 -4.523 1.00 14.34 O ATOM 767 CB ASP A 47 11.436 4.098 -4.290 1.00 63.43 C ATOM 768 CG ASP A 47 12.362 3.018 -3.685 1.00 21.33 C ATOM 769 OD1 ASP A 47 12.221 2.686 -2.489 1.00 43.12 O ATOM 770 OD2 ASP A 47 13.238 2.495 -4.396 1.00 60.01 O ATOM 0 H ASP A 47 9.159 5.288 -4.633 1.00 52.32 H new ATOM 0 HA ASP A 47 10.597 3.096 -6.007 1.00 32.54 H new ATOM 0 HB2 ASP A 47 12.022 4.733 -4.954 1.00 63.43 H new ATOM 0 HB3 ASP A 47 11.064 4.734 -3.487 1.00 63.43 H new ATOM 775 N MET A 48 8.772 2.877 -3.267 1.00 73.40 N ATOM 776 CA MET A 48 8.099 1.998 -2.318 1.00 31.13 C ATOM 777 C MET A 48 6.692 2.534 -2.051 1.00 33.25 C ATOM 778 O MET A 48 6.496 3.734 -1.820 1.00 53.24 O ATOM 779 CB MET A 48 8.939 1.872 -1.017 1.00 73.42 C ATOM 780 CG MET A 48 9.317 3.200 -0.343 1.00 61.22 C ATOM 781 SD MET A 48 10.434 2.997 1.057 1.00 54.10 S ATOM 782 CE MET A 48 9.547 1.816 2.068 1.00 50.12 C ATOM 0 H MET A 48 8.603 3.868 -3.093 1.00 73.40 H new ATOM 0 HA MET A 48 8.005 0.995 -2.733 1.00 31.13 H new ATOM 0 HB2 MET A 48 8.381 1.268 -0.302 1.00 73.42 H new ATOM 0 HB3 MET A 48 9.855 1.328 -1.248 1.00 73.42 H new ATOM 0 HG2 MET A 48 9.784 3.853 -1.080 1.00 61.22 H new ATOM 0 HG3 MET A 48 8.409 3.699 -0.005 1.00 61.22 H new ATOM 0 HE1 MET A 48 10.010 1.760 3.053 1.00 50.12 H new ATOM 0 HE2 MET A 48 8.509 2.133 2.172 1.00 50.12 H new ATOM 0 HE3 MET A 48 9.581 0.834 1.595 1.00 50.12 H new ATOM 792 N ILE A 49 5.710 1.637 -2.106 1.00 54.10 N ATOM 793 CA ILE A 49 4.292 1.987 -2.026 1.00 70.15 C ATOM 794 C ILE A 49 3.563 0.964 -1.149 1.00 12.53 C ATOM 795 O ILE A 49 3.902 -0.212 -1.151 1.00 21.23 O ATOM 796 CB ILE A 49 3.649 2.074 -3.467 1.00 41.13 C ATOM 797 CG1 ILE A 49 2.114 2.347 -3.395 1.00 71.02 C ATOM 798 CG2 ILE A 49 3.970 0.818 -4.312 1.00 24.32 C ATOM 799 CD1 ILE A 49 1.410 2.353 -4.737 1.00 75.22 C ATOM 0 H ILE A 49 5.877 0.636 -2.208 1.00 54.10 H new ATOM 0 HA ILE A 49 4.192 2.972 -1.570 1.00 70.15 H new ATOM 0 HB ILE A 49 4.103 2.925 -3.974 1.00 41.13 H new ATOM 0 HG12 ILE A 49 1.653 1.589 -2.761 1.00 71.02 H new ATOM 0 HG13 ILE A 49 1.952 3.310 -2.910 1.00 71.02 H new ATOM 0 HG21 ILE A 49 3.511 0.914 -5.296 1.00 24.32 H new ATOM 0 HG22 ILE A 49 5.050 0.721 -4.423 1.00 24.32 H new ATOM 0 HG23 ILE A 49 3.575 -0.067 -3.813 1.00 24.32 H new ATOM 0 HD11 ILE A 49 0.348 2.550 -4.590 1.00 75.22 H new ATOM 0 HD12 ILE A 49 1.839 3.130 -5.370 1.00 75.22 H new ATOM 0 HD13 ILE A 49 1.536 1.383 -5.218 1.00 75.22 H new ATOM 811 N ILE A 50 2.593 1.432 -0.356 1.00 23.11 N ATOM 812 CA ILE A 50 1.790 0.579 0.535 1.00 64.04 C ATOM 813 C ILE A 50 0.306 0.889 0.278 1.00 21.23 C ATOM 814 O ILE A 50 -0.106 2.042 0.378 1.00 25.23 O ATOM 815 CB ILE A 50 2.180 0.826 2.047 1.00 73.43 C ATOM 816 CG1 ILE A 50 3.719 0.597 2.252 1.00 4.43 C ATOM 817 CG2 ILE A 50 1.342 -0.067 2.993 1.00 73.11 C ATOM 818 CD1 ILE A 50 4.252 0.892 3.639 1.00 22.05 C ATOM 0 H ILE A 50 2.339 2.419 -0.312 1.00 23.11 H new ATOM 0 HA ILE A 50 1.984 -0.474 0.329 1.00 64.04 H new ATOM 0 HB ILE A 50 1.953 1.862 2.300 1.00 73.43 H new ATOM 0 HG12 ILE A 50 3.948 -0.441 2.009 1.00 4.43 H new ATOM 0 HG13 ILE A 50 4.258 1.219 1.537 1.00 4.43 H new ATOM 0 HG21 ILE A 50 1.632 0.125 4.026 1.00 73.11 H new ATOM 0 HG22 ILE A 50 0.284 0.160 2.865 1.00 73.11 H new ATOM 0 HG23 ILE A 50 1.519 -1.116 2.755 1.00 73.11 H new ATOM 0 HD11 ILE A 50 5.324 0.699 3.665 1.00 22.05 H new ATOM 0 HD12 ILE A 50 4.065 1.937 3.886 1.00 22.05 H new ATOM 0 HD13 ILE A 50 3.751 0.252 4.365 1.00 22.05 H new ATOM 830 N VAL A 51 -0.478 -0.140 -0.099 1.00 11.32 N ATOM 831 CA VAL A 51 -1.899 0.009 -0.474 1.00 33.50 C ATOM 832 C VAL A 51 -2.775 -0.797 0.493 1.00 11.10 C ATOM 833 O VAL A 51 -2.600 -2.013 0.607 1.00 14.43 O ATOM 834 CB VAL A 51 -2.162 -0.477 -1.955 1.00 52.41 C ATOM 835 CG1 VAL A 51 -3.647 -0.308 -2.365 1.00 61.33 C ATOM 836 CG2 VAL A 51 -1.231 0.246 -2.949 1.00 33.45 C ATOM 0 H VAL A 51 -0.143 -1.102 -0.152 1.00 11.32 H new ATOM 0 HA VAL A 51 -2.153 1.067 -0.414 1.00 33.50 H new ATOM 0 HB VAL A 51 -1.936 -1.543 -1.988 1.00 52.41 H new ATOM 0 HG11 VAL A 51 -3.783 -0.654 -3.390 1.00 61.33 H new ATOM 0 HG12 VAL A 51 -4.278 -0.894 -1.697 1.00 61.33 H new ATOM 0 HG13 VAL A 51 -3.926 0.744 -2.297 1.00 61.33 H new ATOM 0 HG21 VAL A 51 -1.433 -0.107 -3.960 1.00 33.45 H new ATOM 0 HG22 VAL A 51 -1.408 1.320 -2.898 1.00 33.45 H new ATOM 0 HG23 VAL A 51 -0.192 0.037 -2.693 1.00 33.45 H new ATOM 846 N LYS A 52 -3.705 -0.117 1.189 1.00 1.14 N ATOM 847 CA LYS A 52 -4.700 -0.765 2.057 1.00 10.51 C ATOM 848 C LYS A 52 -6.092 -0.633 1.413 1.00 51.14 C ATOM 849 O LYS A 52 -6.666 0.459 1.356 1.00 2.14 O ATOM 850 CB LYS A 52 -4.685 -0.156 3.489 1.00 33.43 C ATOM 851 CG LYS A 52 -5.840 -0.621 4.423 1.00 14.44 C ATOM 852 CD LYS A 52 -5.884 -2.147 4.657 1.00 71.52 C ATOM 853 CE LYS A 52 -7.031 -2.578 5.583 1.00 52.54 C ATOM 854 NZ LYS A 52 -8.366 -2.177 5.072 1.00 11.11 N ATOM 0 H LYS A 52 -3.786 0.899 1.164 1.00 1.14 H new ATOM 0 HA LYS A 52 -4.449 -1.821 2.159 1.00 10.51 H new ATOM 0 HB2 LYS A 52 -3.735 -0.405 3.962 1.00 33.43 H new ATOM 0 HB3 LYS A 52 -4.724 0.930 3.404 1.00 33.43 H new ATOM 0 HG2 LYS A 52 -5.739 -0.119 5.385 1.00 14.44 H new ATOM 0 HG3 LYS A 52 -6.790 -0.302 3.995 1.00 14.44 H new ATOM 0 HD2 LYS A 52 -5.989 -2.654 3.698 1.00 71.52 H new ATOM 0 HD3 LYS A 52 -4.936 -2.471 5.087 1.00 71.52 H new ATOM 0 HE2 LYS A 52 -7.005 -3.661 5.706 1.00 52.54 H new ATOM 0 HE3 LYS A 52 -6.879 -2.141 6.570 1.00 52.54 H new ATOM 0 HZ1 LYS A 52 -9.097 -2.448 5.760 1.00 11.11 H new ATOM 0 HZ2 LYS A 52 -8.389 -1.147 4.931 1.00 11.11 H new ATOM 0 HZ3 LYS A 52 -8.549 -2.655 4.166 1.00 11.11 H new ATOM 868 N THR A 53 -6.590 -1.754 0.889 1.00 25.30 N ATOM 869 CA THR A 53 -7.967 -1.900 0.402 1.00 72.31 C ATOM 870 C THR A 53 -8.264 -3.389 0.239 1.00 13.10 C ATOM 871 O THR A 53 -7.346 -4.203 0.133 1.00 50.01 O ATOM 872 CB THR A 53 -8.251 -1.124 -0.941 1.00 0.00 C ATOM 873 OG1 THR A 53 -9.620 -1.316 -1.349 1.00 63.45 O ATOM 874 CG2 THR A 53 -7.316 -1.545 -2.085 1.00 4.35 C ATOM 0 H THR A 53 -6.037 -2.605 0.788 1.00 25.30 H new ATOM 0 HA THR A 53 -8.630 -1.449 1.140 1.00 72.31 H new ATOM 0 HB THR A 53 -8.062 -0.070 -0.735 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.784 -0.828 -2.183 1.00 63.45 H new ATOM 0 HG21 THR A 53 -7.560 -0.977 -2.982 1.00 4.35 H new ATOM 0 HG22 THR A 53 -6.282 -1.348 -1.801 1.00 4.35 H new ATOM 0 HG23 THR A 53 -7.441 -2.609 -2.284 1.00 4.35 H new ATOM 882 N GLU A 54 -9.551 -3.737 0.275 1.00 23.11 N ATOM 883 CA GLU A 54 -10.029 -5.121 0.103 1.00 71.32 C ATOM 884 C GLU A 54 -10.378 -5.377 -1.372 1.00 61.21 C ATOM 885 O GLU A 54 -10.520 -6.528 -1.790 1.00 53.43 O ATOM 886 CB GLU A 54 -11.261 -5.382 1.024 1.00 35.12 C ATOM 887 CG GLU A 54 -10.949 -5.542 2.535 1.00 2.42 C ATOM 888 CD GLU A 54 -10.269 -4.316 3.187 1.00 52.11 C ATOM 889 OE1 GLU A 54 -9.024 -4.298 3.303 1.00 30.20 O ATOM 890 OE2 GLU A 54 -10.975 -3.366 3.588 1.00 1.11 O ATOM 0 H GLU A 54 -10.303 -3.064 0.425 1.00 23.11 H new ATOM 0 HA GLU A 54 -9.237 -5.813 0.392 1.00 71.32 H new ATOM 0 HB2 GLU A 54 -11.964 -4.558 0.902 1.00 35.12 H new ATOM 0 HB3 GLU A 54 -11.765 -6.284 0.678 1.00 35.12 H new ATOM 0 HG2 GLU A 54 -11.879 -5.749 3.064 1.00 2.42 H new ATOM 0 HG3 GLU A 54 -10.306 -6.412 2.669 1.00 2.42 H new ATOM 897 N ASP A 55 -10.524 -4.287 -2.152 1.00 45.23 N ATOM 898 CA ASP A 55 -10.890 -4.355 -3.575 1.00 15.33 C ATOM 899 C ASP A 55 -9.724 -4.982 -4.373 1.00 41.13 C ATOM 900 O ASP A 55 -8.765 -4.292 -4.726 1.00 44.44 O ATOM 901 CB ASP A 55 -11.249 -2.937 -4.113 1.00 60.53 C ATOM 902 CG ASP A 55 -11.863 -2.950 -5.528 1.00 61.21 C ATOM 903 OD1 ASP A 55 -11.134 -3.186 -6.510 1.00 12.32 O ATOM 904 OD2 ASP A 55 -13.081 -2.688 -5.666 1.00 33.24 O ATOM 0 H ASP A 55 -10.391 -3.336 -1.810 1.00 45.23 H new ATOM 0 HA ASP A 55 -11.772 -4.983 -3.696 1.00 15.33 H new ATOM 0 HB2 ASP A 55 -11.951 -2.464 -3.426 1.00 60.53 H new ATOM 0 HB3 ASP A 55 -10.349 -2.323 -4.122 1.00 60.53 H new ATOM 909 N LYS A 56 -9.825 -6.299 -4.625 1.00 54.30 N ATOM 910 CA LYS A 56 -8.774 -7.106 -5.293 1.00 63.44 C ATOM 911 C LYS A 56 -8.376 -6.548 -6.677 1.00 41.12 C ATOM 912 O LYS A 56 -7.223 -6.681 -7.089 1.00 34.32 O ATOM 913 CB LYS A 56 -9.256 -8.571 -5.458 1.00 52.11 C ATOM 914 CG LYS A 56 -9.709 -9.244 -4.149 1.00 14.04 C ATOM 915 CD LYS A 56 -10.260 -10.682 -4.333 1.00 23.01 C ATOM 916 CE LYS A 56 -11.639 -10.754 -5.024 1.00 43.44 C ATOM 917 NZ LYS A 56 -11.601 -10.405 -6.474 1.00 1.02 N ATOM 0 H LYS A 56 -10.648 -6.845 -4.369 1.00 54.30 H new ATOM 0 HA LYS A 56 -7.893 -7.060 -4.653 1.00 63.44 H new ATOM 0 HB2 LYS A 56 -10.083 -8.590 -6.167 1.00 52.11 H new ATOM 0 HB3 LYS A 56 -8.448 -9.159 -5.894 1.00 52.11 H new ATOM 0 HG2 LYS A 56 -8.866 -9.275 -3.459 1.00 14.04 H new ATOM 0 HG3 LYS A 56 -10.479 -8.628 -3.684 1.00 14.04 H new ATOM 0 HD2 LYS A 56 -9.544 -11.260 -4.917 1.00 23.01 H new ATOM 0 HD3 LYS A 56 -10.332 -11.158 -3.355 1.00 23.01 H new ATOM 0 HE2 LYS A 56 -12.040 -11.761 -4.912 1.00 43.44 H new ATOM 0 HE3 LYS A 56 -12.327 -10.079 -4.515 1.00 43.44 H new ATOM 0 HZ1 LYS A 56 -12.230 -11.044 -7.001 1.00 1.02 H new ATOM 0 HZ2 LYS A 56 -11.918 -9.423 -6.603 1.00 1.02 H new ATOM 0 HZ3 LYS A 56 -10.629 -10.504 -6.830 1.00 1.02 H new ATOM 931 N GLU A 57 -9.349 -5.925 -7.369 1.00 50.12 N ATOM 932 CA GLU A 57 -9.177 -5.433 -8.756 1.00 11.13 C ATOM 933 C GLU A 57 -8.284 -4.171 -8.796 1.00 35.41 C ATOM 934 O GLU A 57 -7.476 -4.002 -9.720 1.00 22.05 O ATOM 935 CB GLU A 57 -10.562 -5.135 -9.404 1.00 53.54 C ATOM 936 CG GLU A 57 -11.635 -6.230 -9.177 1.00 63.01 C ATOM 937 CD GLU A 57 -11.174 -7.670 -9.502 1.00 64.11 C ATOM 938 OE1 GLU A 57 -11.012 -8.001 -10.695 1.00 20.43 O ATOM 939 OE2 GLU A 57 -10.993 -8.483 -8.564 1.00 43.45 O ATOM 0 H GLU A 57 -10.277 -5.747 -6.985 1.00 50.12 H new ATOM 0 HA GLU A 57 -8.681 -6.216 -9.329 1.00 11.13 H new ATOM 0 HB2 GLU A 57 -10.937 -4.191 -9.008 1.00 53.54 H new ATOM 0 HB3 GLU A 57 -10.424 -4.998 -10.477 1.00 53.54 H new ATOM 0 HG2 GLU A 57 -11.956 -6.193 -8.136 1.00 63.01 H new ATOM 0 HG3 GLU A 57 -12.507 -5.996 -9.788 1.00 63.01 H new ATOM 946 N SER A 58 -8.436 -3.299 -7.783 1.00 52.50 N ATOM 947 CA SER A 58 -7.628 -2.076 -7.655 1.00 53.13 C ATOM 948 C SER A 58 -6.205 -2.428 -7.200 1.00 23.12 C ATOM 949 O SER A 58 -5.230 -1.923 -7.767 1.00 23.20 O ATOM 950 CB SER A 58 -8.294 -1.087 -6.678 1.00 53.53 C ATOM 951 OG SER A 58 -8.434 -1.629 -5.383 1.00 2.24 O ATOM 0 H SER A 58 -9.118 -3.422 -7.035 1.00 52.50 H new ATOM 0 HA SER A 58 -7.565 -1.592 -8.630 1.00 53.13 H new ATOM 0 HB2 SER A 58 -7.700 -0.175 -6.626 1.00 53.53 H new ATOM 0 HB3 SER A 58 -9.275 -0.806 -7.061 1.00 53.53 H new ATOM 0 HG SER A 58 -8.553 -2.600 -5.446 1.00 2.24 H new ATOM 957 N ILE A 59 -6.117 -3.347 -6.202 1.00 72.40 N ATOM 958 CA ILE A 59 -4.841 -3.927 -5.720 1.00 55.52 C ATOM 959 C ILE A 59 -4.030 -4.477 -6.914 1.00 71.34 C ATOM 960 O ILE A 59 -2.843 -4.167 -7.075 1.00 12.33 O ATOM 961 CB ILE A 59 -5.099 -5.099 -4.686 1.00 14.45 C ATOM 962 CG1 ILE A 59 -5.866 -4.604 -3.419 1.00 72.32 C ATOM 963 CG2 ILE A 59 -3.784 -5.790 -4.282 1.00 24.03 C ATOM 964 CD1 ILE A 59 -6.274 -5.714 -2.455 1.00 40.20 C ATOM 0 H ILE A 59 -6.935 -3.706 -5.709 1.00 72.40 H new ATOM 0 HA ILE A 59 -4.281 -3.136 -5.220 1.00 55.52 H new ATOM 0 HB ILE A 59 -5.731 -5.829 -5.192 1.00 14.45 H new ATOM 0 HG12 ILE A 59 -5.239 -3.889 -2.886 1.00 72.32 H new ATOM 0 HG13 ILE A 59 -6.761 -4.069 -3.737 1.00 72.32 H new ATOM 0 HG21 ILE A 59 -3.996 -6.589 -3.572 1.00 24.03 H new ATOM 0 HG22 ILE A 59 -3.306 -6.209 -5.168 1.00 24.03 H new ATOM 0 HG23 ILE A 59 -3.117 -5.062 -3.820 1.00 24.03 H new ATOM 0 HD11 ILE A 59 -6.801 -5.282 -1.604 1.00 40.20 H new ATOM 0 HD12 ILE A 59 -6.929 -6.418 -2.968 1.00 40.20 H new ATOM 0 HD13 ILE A 59 -5.384 -6.236 -2.103 1.00 40.20 H new ATOM 976 N SER A 60 -4.744 -5.241 -7.764 1.00 54.15 N ATOM 977 CA SER A 60 -4.212 -5.868 -8.977 1.00 31.05 C ATOM 978 C SER A 60 -3.489 -4.853 -9.885 1.00 25.33 C ATOM 979 O SER A 60 -2.317 -5.054 -10.207 1.00 70.14 O ATOM 980 CB SER A 60 -5.363 -6.563 -9.742 1.00 60.05 C ATOM 981 OG SER A 60 -4.962 -6.985 -11.031 1.00 15.43 O ATOM 0 H SER A 60 -5.733 -5.441 -7.616 1.00 54.15 H new ATOM 0 HA SER A 60 -3.470 -6.609 -8.680 1.00 31.05 H new ATOM 0 HB2 SER A 60 -5.711 -7.423 -9.170 1.00 60.05 H new ATOM 0 HB3 SER A 60 -6.206 -5.877 -9.831 1.00 60.05 H new ATOM 0 HG SER A 60 -4.331 -7.730 -10.950 1.00 15.43 H new ATOM 987 N GLU A 61 -4.183 -3.737 -10.224 1.00 12.31 N ATOM 988 CA GLU A 61 -3.663 -2.702 -11.144 1.00 20.33 C ATOM 989 C GLU A 61 -2.337 -2.109 -10.633 1.00 11.42 C ATOM 990 O GLU A 61 -1.344 -2.074 -11.377 1.00 22.44 O ATOM 991 CB GLU A 61 -4.700 -1.566 -11.343 1.00 62.24 C ATOM 992 CG GLU A 61 -6.004 -1.993 -12.041 1.00 44.12 C ATOM 993 CD GLU A 61 -6.918 -0.796 -12.350 1.00 63.44 C ATOM 994 OE1 GLU A 61 -7.190 -0.518 -13.538 1.00 4.15 O ATOM 995 OE2 GLU A 61 -7.344 -0.110 -11.395 1.00 45.43 O ATOM 0 H GLU A 61 -5.116 -3.533 -9.866 1.00 12.31 H new ATOM 0 HA GLU A 61 -3.478 -3.187 -12.102 1.00 20.33 H new ATOM 0 HB2 GLU A 61 -4.948 -1.145 -10.368 1.00 62.24 H new ATOM 0 HB3 GLU A 61 -4.237 -0.770 -11.926 1.00 62.24 H new ATOM 0 HG2 GLU A 61 -5.764 -2.513 -12.968 1.00 44.12 H new ATOM 0 HG3 GLU A 61 -6.538 -2.701 -11.407 1.00 44.12 H new ATOM 1002 N ILE A 62 -2.322 -1.703 -9.342 1.00 11.21 N ATOM 1003 CA ILE A 62 -1.136 -1.116 -8.701 1.00 62.04 C ATOM 1004 C ILE A 62 0.058 -2.102 -8.767 1.00 21.23 C ATOM 1005 O ILE A 62 1.133 -1.723 -9.243 1.00 63.15 O ATOM 1006 CB ILE A 62 -1.413 -0.653 -7.203 1.00 0.24 C ATOM 1007 CG1 ILE A 62 -2.181 0.721 -7.135 1.00 51.32 C ATOM 1008 CG2 ILE A 62 -0.101 -0.569 -6.380 1.00 60.42 C ATOM 1009 CD1 ILE A 62 -3.622 0.704 -7.617 1.00 71.30 C ATOM 0 H ILE A 62 -3.130 -1.775 -8.724 1.00 11.21 H new ATOM 0 HA ILE A 62 -0.882 -0.216 -9.260 1.00 62.04 H new ATOM 0 HB ILE A 62 -2.053 -1.417 -6.762 1.00 0.24 H new ATOM 0 HG12 ILE A 62 -2.168 1.071 -6.103 1.00 51.32 H new ATOM 0 HG13 ILE A 62 -1.630 1.452 -7.726 1.00 51.32 H new ATOM 0 HG21 ILE A 62 -0.329 -0.250 -5.363 1.00 60.42 H new ATOM 0 HG22 ILE A 62 0.376 -1.549 -6.355 1.00 60.42 H new ATOM 0 HG23 ILE A 62 0.574 0.151 -6.843 1.00 60.42 H new ATOM 0 HD11 ILE A 62 -4.049 1.703 -7.524 1.00 71.30 H new ATOM 0 HD12 ILE A 62 -3.653 0.392 -8.661 1.00 71.30 H new ATOM 0 HD13 ILE A 62 -4.200 0.005 -7.012 1.00 71.30 H new ATOM 1021 N ILE A 63 -0.166 -3.372 -8.342 1.00 52.32 N ATOM 1022 CA ILE A 63 0.889 -4.406 -8.328 1.00 30.53 C ATOM 1023 C ILE A 63 1.454 -4.631 -9.739 1.00 11.24 C ATOM 1024 O ILE A 63 2.655 -4.728 -9.893 1.00 12.50 O ATOM 1025 CB ILE A 63 0.399 -5.780 -7.741 1.00 21.33 C ATOM 1026 CG1 ILE A 63 -0.146 -5.612 -6.295 1.00 41.11 C ATOM 1027 CG2 ILE A 63 1.533 -6.838 -7.761 1.00 64.04 C ATOM 1028 CD1 ILE A 63 -0.713 -6.886 -5.711 1.00 54.33 C ATOM 0 H ILE A 63 -1.071 -3.700 -8.005 1.00 52.32 H new ATOM 0 HA ILE A 63 1.670 -4.026 -7.670 1.00 30.53 H new ATOM 0 HB ILE A 63 -0.412 -6.131 -8.379 1.00 21.33 H new ATOM 0 HG12 ILE A 63 0.658 -5.253 -5.652 1.00 41.11 H new ATOM 0 HG13 ILE A 63 -0.921 -4.845 -6.294 1.00 41.11 H new ATOM 0 HG21 ILE A 63 1.162 -7.776 -7.349 1.00 64.04 H new ATOM 0 HG22 ILE A 63 1.863 -6.998 -8.787 1.00 64.04 H new ATOM 0 HG23 ILE A 63 2.371 -6.484 -7.161 1.00 64.04 H new ATOM 0 HD11 ILE A 63 -1.074 -6.694 -4.701 1.00 54.33 H new ATOM 0 HD12 ILE A 63 -1.538 -7.235 -6.331 1.00 54.33 H new ATOM 0 HD13 ILE A 63 0.065 -7.649 -5.679 1.00 54.33 H new ATOM 1040 N LYS A 64 0.569 -4.649 -10.762 1.00 14.41 N ATOM 1041 CA LYS A 64 0.973 -4.806 -12.178 1.00 63.25 C ATOM 1042 C LYS A 64 1.958 -3.694 -12.597 1.00 44.23 C ATOM 1043 O LYS A 64 2.948 -3.963 -13.284 1.00 14.23 O ATOM 1044 CB LYS A 64 -0.266 -4.794 -13.110 1.00 55.25 C ATOM 1045 CG LYS A 64 -1.206 -6.011 -12.960 1.00 71.35 C ATOM 1046 CD LYS A 64 -2.510 -5.851 -13.785 1.00 60.44 C ATOM 1047 CE LYS A 64 -2.267 -5.787 -15.305 1.00 55.45 C ATOM 1048 NZ LYS A 64 -3.532 -5.558 -16.061 1.00 51.15 N ATOM 0 H LYS A 64 -0.438 -4.556 -10.631 1.00 14.41 H new ATOM 0 HA LYS A 64 1.474 -5.769 -12.275 1.00 63.25 H new ATOM 0 HB2 LYS A 64 -0.838 -3.886 -12.918 1.00 55.25 H new ATOM 0 HB3 LYS A 64 0.076 -4.743 -14.144 1.00 55.25 H new ATOM 0 HG2 LYS A 64 -0.684 -6.913 -13.281 1.00 71.35 H new ATOM 0 HG3 LYS A 64 -1.458 -6.146 -11.908 1.00 71.35 H new ATOM 0 HD2 LYS A 64 -3.175 -6.686 -13.565 1.00 60.44 H new ATOM 0 HD3 LYS A 64 -3.023 -4.943 -13.468 1.00 60.44 H new ATOM 0 HE2 LYS A 64 -1.562 -4.986 -15.527 1.00 55.45 H new ATOM 0 HE3 LYS A 64 -1.808 -6.718 -15.639 1.00 55.45 H new ATOM 0 HZ1 LYS A 64 -3.326 -5.521 -17.080 1.00 51.15 H new ATOM 0 HZ2 LYS A 64 -4.196 -6.335 -15.870 1.00 51.15 H new ATOM 0 HZ3 LYS A 64 -3.957 -4.658 -15.761 1.00 51.15 H new ATOM 1062 N GLN A 65 1.680 -2.460 -12.142 1.00 53.10 N ATOM 1063 CA GLN A 65 2.547 -1.293 -12.393 1.00 34.21 C ATOM 1064 C GLN A 65 3.880 -1.403 -11.611 1.00 32.14 C ATOM 1065 O GLN A 65 4.919 -0.959 -12.088 1.00 15.21 O ATOM 1066 CB GLN A 65 1.800 0.012 -12.016 1.00 31.02 C ATOM 1067 CG GLN A 65 0.462 0.240 -12.742 1.00 75.25 C ATOM 1068 CD GLN A 65 0.590 0.276 -14.265 1.00 52.12 C ATOM 1069 OE1 GLN A 65 0.451 -0.741 -14.950 1.00 24.51 O ATOM 1070 NE2 GLN A 65 0.871 1.449 -14.799 1.00 71.21 N ATOM 0 H GLN A 65 0.850 -2.243 -11.591 1.00 53.10 H new ATOM 0 HA GLN A 65 2.789 -1.270 -13.456 1.00 34.21 H new ATOM 0 HB2 GLN A 65 1.615 0.007 -10.942 1.00 31.02 H new ATOM 0 HB3 GLN A 65 2.455 0.858 -12.223 1.00 31.02 H new ATOM 0 HG2 GLN A 65 -0.233 -0.552 -12.463 1.00 75.25 H new ATOM 0 HG3 GLN A 65 0.028 1.180 -12.400 1.00 75.25 H new ATOM 0 HE21 GLN A 65 0.979 2.269 -14.202 1.00 71.21 H new ATOM 0 HE22 GLN A 65 0.980 1.536 -15.809 1.00 71.21 H new ATOM 1079 N VAL A 66 3.832 -2.008 -10.409 1.00 45.14 N ATOM 1080 CA VAL A 66 5.017 -2.221 -9.551 1.00 42.32 C ATOM 1081 C VAL A 66 5.879 -3.407 -10.070 1.00 11.43 C ATOM 1082 O VAL A 66 7.102 -3.419 -9.896 1.00 73.13 O ATOM 1083 CB VAL A 66 4.570 -2.453 -8.054 1.00 50.30 C ATOM 1084 CG1 VAL A 66 5.768 -2.750 -7.142 1.00 51.43 C ATOM 1085 CG2 VAL A 66 3.767 -1.242 -7.514 1.00 1.44 C ATOM 0 H VAL A 66 2.967 -2.365 -10.003 1.00 45.14 H new ATOM 0 HA VAL A 66 5.637 -1.326 -9.590 1.00 42.32 H new ATOM 0 HB VAL A 66 3.920 -3.328 -8.048 1.00 50.30 H new ATOM 0 HG11 VAL A 66 5.419 -2.904 -6.121 1.00 51.43 H new ATOM 0 HG12 VAL A 66 6.277 -3.649 -7.491 1.00 51.43 H new ATOM 0 HG13 VAL A 66 6.461 -1.909 -7.166 1.00 51.43 H new ATOM 0 HG21 VAL A 66 3.473 -1.431 -6.482 1.00 1.44 H new ATOM 0 HG22 VAL A 66 4.387 -0.346 -7.556 1.00 1.44 H new ATOM 0 HG23 VAL A 66 2.875 -1.096 -8.124 1.00 1.44 H new ATOM 1095 N LEU A 67 5.227 -4.381 -10.739 1.00 31.22 N ATOM 1096 CA LEU A 67 5.907 -5.502 -11.420 1.00 43.11 C ATOM 1097 C LEU A 67 6.675 -4.936 -12.628 1.00 62.50 C ATOM 1098 O LEU A 67 7.828 -5.292 -12.883 1.00 64.10 O ATOM 1099 CB LEU A 67 4.875 -6.573 -11.911 1.00 52.30 C ATOM 1100 CG LEU A 67 4.049 -7.349 -10.827 1.00 44.43 C ATOM 1101 CD1 LEU A 67 2.976 -8.248 -11.476 1.00 30.30 C ATOM 1102 CD2 LEU A 67 4.952 -8.179 -9.899 1.00 13.54 C ATOM 0 H LEU A 67 4.211 -4.412 -10.822 1.00 31.22 H new ATOM 0 HA LEU A 67 6.588 -5.988 -10.721 1.00 43.11 H new ATOM 0 HB2 LEU A 67 4.169 -6.076 -12.577 1.00 52.30 H new ATOM 0 HB3 LEU A 67 5.415 -7.307 -12.509 1.00 52.30 H new ATOM 0 HG LEU A 67 3.548 -6.597 -10.218 1.00 44.43 H new ATOM 0 HD11 LEU A 67 2.421 -8.772 -10.698 1.00 30.30 H new ATOM 0 HD12 LEU A 67 2.290 -7.633 -12.059 1.00 30.30 H new ATOM 0 HD13 LEU A 67 3.457 -8.975 -12.130 1.00 30.30 H new ATOM 0 HD21 LEU A 67 4.338 -8.700 -9.164 1.00 13.54 H new ATOM 0 HD22 LEU A 67 5.508 -8.908 -10.489 1.00 13.54 H new ATOM 0 HD23 LEU A 67 5.651 -7.519 -9.386 1.00 13.54 H new ATOM 1114 N ASP A 68 5.986 -4.030 -13.342 1.00 11.55 N ATOM 1115 CA ASP A 68 6.510 -3.327 -14.519 1.00 23.12 C ATOM 1116 C ASP A 68 7.684 -2.400 -14.146 1.00 75.13 C ATOM 1117 O ASP A 68 8.687 -2.357 -14.854 1.00 63.02 O ATOM 1118 CB ASP A 68 5.358 -2.519 -15.189 1.00 1.33 C ATOM 1119 CG ASP A 68 5.791 -1.754 -16.456 1.00 62.20 C ATOM 1120 OD1 ASP A 68 5.854 -2.375 -17.540 1.00 13.43 O ATOM 1121 OD2 ASP A 68 6.053 -0.531 -16.375 1.00 41.32 O ATOM 0 H ASP A 68 5.030 -3.762 -13.110 1.00 11.55 H new ATOM 0 HA ASP A 68 6.895 -4.063 -15.225 1.00 23.12 H new ATOM 0 HB2 ASP A 68 4.549 -3.203 -15.447 1.00 1.33 H new ATOM 0 HB3 ASP A 68 4.957 -1.809 -14.466 1.00 1.33 H new ATOM 1126 N SER A 69 7.556 -1.682 -13.015 1.00 20.43 N ATOM 1127 CA SER A 69 8.562 -0.685 -12.570 1.00 42.32 C ATOM 1128 C SER A 69 9.672 -1.315 -11.698 1.00 14.23 C ATOM 1129 O SER A 69 10.732 -0.705 -11.512 1.00 40.13 O ATOM 1130 CB SER A 69 7.855 0.458 -11.812 1.00 22.02 C ATOM 1131 OG SER A 69 6.917 1.115 -12.653 1.00 44.51 O ATOM 0 H SER A 69 6.760 -1.771 -12.384 1.00 20.43 H new ATOM 0 HA SER A 69 9.053 -0.287 -13.458 1.00 42.32 H new ATOM 0 HB2 SER A 69 7.347 0.059 -10.934 1.00 22.02 H new ATOM 0 HB3 SER A 69 8.594 1.175 -11.454 1.00 22.02 H new ATOM 0 HG SER A 69 6.078 0.609 -12.665 1.00 44.51 H new ATOM 1137 N GLY A 70 9.419 -2.535 -11.179 1.00 14.44 N ATOM 1138 CA GLY A 70 10.378 -3.249 -10.324 1.00 24.54 C ATOM 1139 C GLY A 70 10.584 -2.593 -8.954 1.00 74.10 C ATOM 1140 O GLY A 70 11.720 -2.514 -8.461 1.00 54.34 O ATOM 0 H GLY A 70 8.551 -3.045 -11.342 1.00 14.44 H new ATOM 0 HA2 GLY A 70 10.032 -4.272 -10.179 1.00 24.54 H new ATOM 0 HA3 GLY A 70 11.337 -3.307 -10.838 1.00 24.54 H new ATOM 1144 N ALA A 71 9.482 -2.143 -8.332 1.00 74.14 N ATOM 1145 CA ALA A 71 9.509 -1.371 -7.064 1.00 60.22 C ATOM 1146 C ALA A 71 9.100 -2.238 -5.849 1.00 71.23 C ATOM 1147 O ALA A 71 8.718 -3.398 -6.006 1.00 51.35 O ATOM 1148 CB ALA A 71 8.587 -0.149 -7.213 1.00 52.10 C ATOM 0 H ALA A 71 8.540 -2.301 -8.690 1.00 74.14 H new ATOM 0 HA ALA A 71 10.530 -1.040 -6.872 1.00 60.22 H new ATOM 0 HB1 ALA A 71 8.596 0.429 -6.289 1.00 52.10 H new ATOM 0 HB2 ALA A 71 8.940 0.475 -8.034 1.00 52.10 H new ATOM 0 HB3 ALA A 71 7.571 -0.483 -7.422 1.00 52.10 H new ATOM 1154 N LYS A 72 9.194 -1.657 -4.638 1.00 71.15 N ATOM 1155 CA LYS A 72 8.770 -2.304 -3.377 1.00 50.22 C ATOM 1156 C LYS A 72 7.285 -1.973 -3.128 1.00 64.42 C ATOM 1157 O LYS A 72 6.871 -0.824 -3.323 1.00 21.31 O ATOM 1158 CB LYS A 72 9.654 -1.822 -2.171 1.00 32.53 C ATOM 1159 CG LYS A 72 11.072 -2.462 -2.051 1.00 43.14 C ATOM 1160 CD LYS A 72 11.969 -2.303 -3.304 1.00 53.24 C ATOM 1161 CE LYS A 72 12.232 -0.834 -3.682 1.00 10.12 C ATOM 1162 NZ LYS A 72 13.112 -0.139 -2.708 1.00 42.45 N ATOM 0 H LYS A 72 9.569 -0.718 -4.504 1.00 71.15 H new ATOM 0 HA LYS A 72 8.898 -3.383 -3.463 1.00 50.22 H new ATOM 0 HB2 LYS A 72 9.772 -0.741 -2.245 1.00 32.53 H new ATOM 0 HB3 LYS A 72 9.110 -2.021 -1.248 1.00 32.53 H new ATOM 0 HG2 LYS A 72 11.584 -2.018 -1.197 1.00 43.14 H new ATOM 0 HG3 LYS A 72 10.958 -3.525 -1.837 1.00 43.14 H new ATOM 0 HD2 LYS A 72 12.922 -2.801 -3.126 1.00 53.24 H new ATOM 0 HD3 LYS A 72 11.497 -2.809 -4.146 1.00 53.24 H new ATOM 0 HE2 LYS A 72 12.689 -0.794 -4.671 1.00 10.12 H new ATOM 0 HE3 LYS A 72 11.281 -0.305 -3.748 1.00 10.12 H new ATOM 0 HZ1 LYS A 72 13.542 0.693 -3.161 1.00 42.45 H new ATOM 0 HZ2 LYS A 72 12.550 0.165 -1.888 1.00 42.45 H new ATOM 0 HZ3 LYS A 72 13.861 -0.788 -2.393 1.00 42.45 H new ATOM 1176 N VAL A 73 6.483 -2.976 -2.729 1.00 31.01 N ATOM 1177 CA VAL A 73 5.055 -2.777 -2.417 1.00 62.02 C ATOM 1178 C VAL A 73 4.608 -3.668 -1.247 1.00 35.42 C ATOM 1179 O VAL A 73 5.017 -4.825 -1.146 1.00 63.22 O ATOM 1180 CB VAL A 73 4.140 -2.997 -3.685 1.00 32.23 C ATOM 1181 CG1 VAL A 73 4.307 -4.405 -4.281 1.00 43.33 C ATOM 1182 CG2 VAL A 73 2.652 -2.665 -3.391 1.00 51.34 C ATOM 0 H VAL A 73 6.801 -3.938 -2.614 1.00 31.01 H new ATOM 0 HA VAL A 73 4.936 -1.738 -2.109 1.00 62.02 H new ATOM 0 HB VAL A 73 4.479 -2.292 -4.444 1.00 32.23 H new ATOM 0 HG11 VAL A 73 3.659 -4.511 -5.151 1.00 43.33 H new ATOM 0 HG12 VAL A 73 5.344 -4.552 -4.581 1.00 43.33 H new ATOM 0 HG13 VAL A 73 4.036 -5.151 -3.534 1.00 43.33 H new ATOM 0 HG21 VAL A 73 2.058 -2.830 -4.290 1.00 51.34 H new ATOM 0 HG22 VAL A 73 2.287 -3.309 -2.591 1.00 51.34 H new ATOM 0 HG23 VAL A 73 2.565 -1.622 -3.085 1.00 51.34 H new ATOM 1192 N LEU A 74 3.778 -3.095 -0.358 1.00 40.55 N ATOM 1193 CA LEU A 74 3.133 -3.812 0.743 1.00 35.21 C ATOM 1194 C LEU A 74 1.620 -3.724 0.548 1.00 23.23 C ATOM 1195 O LEU A 74 1.057 -2.626 0.540 1.00 23.41 O ATOM 1196 CB LEU A 74 3.528 -3.206 2.111 1.00 72.42 C ATOM 1197 CG LEU A 74 2.945 -3.923 3.376 1.00 60.50 C ATOM 1198 CD1 LEU A 74 3.425 -5.383 3.481 1.00 61.02 C ATOM 1199 CD2 LEU A 74 3.259 -3.133 4.667 1.00 73.02 C ATOM 0 H LEU A 74 3.536 -2.105 -0.390 1.00 40.55 H new ATOM 0 HA LEU A 74 3.459 -4.852 0.738 1.00 35.21 H new ATOM 0 HB2 LEU A 74 4.615 -3.208 2.186 1.00 72.42 H new ATOM 0 HB3 LEU A 74 3.209 -2.164 2.130 1.00 72.42 H new ATOM 0 HG LEU A 74 1.862 -3.949 3.259 1.00 60.50 H new ATOM 0 HD11 LEU A 74 2.998 -5.843 4.372 1.00 61.02 H new ATOM 0 HD12 LEU A 74 3.105 -5.936 2.598 1.00 61.02 H new ATOM 0 HD13 LEU A 74 4.513 -5.404 3.548 1.00 61.02 H new ATOM 0 HD21 LEU A 74 2.840 -3.658 5.526 1.00 73.02 H new ATOM 0 HD22 LEU A 74 4.339 -3.045 4.786 1.00 73.02 H new ATOM 0 HD23 LEU A 74 2.819 -2.138 4.601 1.00 73.02 H new ATOM 1211 N ILE A 75 0.974 -4.871 0.344 1.00 2.33 N ATOM 1212 CA ILE A 75 -0.481 -4.948 0.222 1.00 23.51 C ATOM 1213 C ILE A 75 -1.077 -5.344 1.567 1.00 41.44 C ATOM 1214 O ILE A 75 -0.713 -6.371 2.146 1.00 14.00 O ATOM 1215 CB ILE A 75 -0.920 -5.953 -0.896 1.00 44.33 C ATOM 1216 CG1 ILE A 75 -0.386 -5.491 -2.283 1.00 34.44 C ATOM 1217 CG2 ILE A 75 -2.457 -6.165 -0.928 1.00 73.10 C ATOM 1218 CD1 ILE A 75 -0.825 -4.097 -2.728 1.00 55.43 C ATOM 0 H ILE A 75 1.444 -5.772 0.259 1.00 2.33 H new ATOM 0 HA ILE A 75 -0.855 -3.967 -0.070 1.00 23.51 H new ATOM 0 HB ILE A 75 -0.477 -6.920 -0.657 1.00 44.33 H new ATOM 0 HG12 ILE A 75 0.703 -5.520 -2.261 1.00 34.44 H new ATOM 0 HG13 ILE A 75 -0.708 -6.211 -3.035 1.00 34.44 H new ATOM 0 HG21 ILE A 75 -2.711 -6.870 -1.720 1.00 73.10 H new ATOM 0 HG22 ILE A 75 -2.790 -6.562 0.031 1.00 73.10 H new ATOM 0 HG23 ILE A 75 -2.952 -5.213 -1.118 1.00 73.10 H new ATOM 0 HD11 ILE A 75 -0.397 -3.876 -3.706 1.00 55.43 H new ATOM 0 HD12 ILE A 75 -1.913 -4.061 -2.791 1.00 55.43 H new ATOM 0 HD13 ILE A 75 -0.479 -3.358 -2.005 1.00 55.43 H new ATOM 1230 N LEU A 76 -1.969 -4.496 2.063 1.00 33.12 N ATOM 1231 CA LEU A 76 -2.695 -4.703 3.305 1.00 65.34 C ATOM 1232 C LEU A 76 -4.183 -4.886 2.972 1.00 25.53 C ATOM 1233 O LEU A 76 -4.751 -4.099 2.206 1.00 23.42 O ATOM 1234 CB LEU A 76 -2.462 -3.486 4.245 1.00 40.55 C ATOM 1235 CG LEU A 76 -0.976 -3.204 4.638 1.00 5.35 C ATOM 1236 CD1 LEU A 76 -0.844 -1.911 5.472 1.00 12.05 C ATOM 1237 CD2 LEU A 76 -0.366 -4.409 5.377 1.00 64.05 C ATOM 0 H LEU A 76 -2.213 -3.622 1.598 1.00 33.12 H new ATOM 0 HA LEU A 76 -2.341 -5.595 3.822 1.00 65.34 H new ATOM 0 HB2 LEU A 76 -2.865 -2.596 3.762 1.00 40.55 H new ATOM 0 HB3 LEU A 76 -3.036 -3.641 5.158 1.00 40.55 H new ATOM 0 HG LEU A 76 -0.414 -3.053 3.717 1.00 5.35 H new ATOM 0 HD11 LEU A 76 0.203 -1.748 5.727 1.00 12.05 H new ATOM 0 HD12 LEU A 76 -1.213 -1.065 4.892 1.00 12.05 H new ATOM 0 HD13 LEU A 76 -1.429 -2.007 6.387 1.00 12.05 H new ATOM 0 HD21 LEU A 76 0.669 -4.189 5.640 1.00 64.05 H new ATOM 0 HD22 LEU A 76 -0.937 -4.607 6.284 1.00 64.05 H new ATOM 0 HD23 LEU A 76 -0.397 -5.286 4.731 1.00 64.05 H new ATOM 1249 N SER A 77 -4.792 -5.948 3.506 1.00 32.03 N ATOM 1250 CA SER A 77 -6.239 -6.190 3.403 1.00 33.44 C ATOM 1251 C SER A 77 -6.713 -6.804 4.721 1.00 64.14 C ATOM 1252 O SER A 77 -6.010 -7.655 5.291 1.00 52.25 O ATOM 1253 CB SER A 77 -6.575 -7.134 2.217 1.00 41.13 C ATOM 1254 OG SER A 77 -6.030 -6.667 0.992 1.00 35.10 O ATOM 0 H SER A 77 -4.294 -6.671 4.026 1.00 32.03 H new ATOM 0 HA SER A 77 -6.750 -5.246 3.215 1.00 33.44 H new ATOM 0 HB2 SER A 77 -6.190 -8.132 2.428 1.00 41.13 H new ATOM 0 HB3 SER A 77 -7.657 -7.224 2.121 1.00 41.13 H new ATOM 0 HG SER A 77 -6.487 -5.843 0.724 1.00 35.10 H new ATOM 1260 N SER A 78 -7.890 -6.378 5.205 1.00 62.44 N ATOM 1261 CA SER A 78 -8.489 -6.912 6.437 1.00 64.00 C ATOM 1262 C SER A 78 -8.841 -8.402 6.276 1.00 44.33 C ATOM 1263 O SER A 78 -8.857 -9.163 7.256 1.00 30.45 O ATOM 1264 CB SER A 78 -9.729 -6.071 6.810 1.00 54.24 C ATOM 1265 OG SER A 78 -10.687 -6.052 5.762 1.00 41.31 O ATOM 0 H SER A 78 -8.452 -5.656 4.754 1.00 62.44 H new ATOM 0 HA SER A 78 -7.765 -6.842 7.249 1.00 64.00 H new ATOM 0 HB2 SER A 78 -10.186 -6.477 7.713 1.00 54.24 H new ATOM 0 HB3 SER A 78 -9.421 -5.051 7.040 1.00 54.24 H new ATOM 0 HG SER A 78 -11.458 -5.512 6.034 1.00 41.31 H new ATOM 1271 N ASP A 79 -9.094 -8.794 5.014 1.00 12.53 N ATOM 1272 CA ASP A 79 -9.381 -10.177 4.628 1.00 55.41 C ATOM 1273 C ASP A 79 -8.083 -10.871 4.133 1.00 21.21 C ATOM 1274 O ASP A 79 -7.453 -10.439 3.155 1.00 15.34 O ATOM 1275 CB ASP A 79 -10.477 -10.191 3.536 1.00 50.44 C ATOM 1276 CG ASP A 79 -11.018 -11.597 3.253 1.00 30.04 C ATOM 1277 OD1 ASP A 79 -12.090 -11.957 3.782 1.00 51.34 O ATOM 1278 OD2 ASP A 79 -10.364 -12.360 2.521 1.00 35.32 O ATOM 0 H ASP A 79 -9.104 -8.146 4.227 1.00 12.53 H new ATOM 0 HA ASP A 79 -9.748 -10.731 5.492 1.00 55.41 H new ATOM 0 HB2 ASP A 79 -11.299 -9.546 3.845 1.00 50.44 H new ATOM 0 HB3 ASP A 79 -10.071 -9.771 2.616 1.00 50.44 H new ATOM 1283 N GLU A 80 -7.720 -11.973 4.811 1.00 33.32 N ATOM 1284 CA GLU A 80 -6.463 -12.710 4.567 1.00 44.11 C ATOM 1285 C GLU A 80 -6.578 -13.702 3.397 1.00 22.02 C ATOM 1286 O GLU A 80 -5.556 -14.209 2.934 1.00 14.30 O ATOM 1287 CB GLU A 80 -6.015 -13.451 5.849 1.00 14.22 C ATOM 1288 CG GLU A 80 -6.996 -14.533 6.337 1.00 71.42 C ATOM 1289 CD GLU A 80 -6.521 -15.224 7.617 1.00 12.22 C ATOM 1290 OE1 GLU A 80 -5.678 -16.138 7.531 1.00 51.32 O ATOM 1291 OE2 GLU A 80 -6.971 -14.846 8.717 1.00 54.23 O ATOM 0 H GLU A 80 -8.293 -12.382 5.549 1.00 33.32 H new ATOM 0 HA GLU A 80 -5.711 -11.971 4.291 1.00 44.11 H new ATOM 0 HB2 GLU A 80 -5.045 -13.914 5.666 1.00 14.22 H new ATOM 0 HB3 GLU A 80 -5.874 -12.720 6.645 1.00 14.22 H new ATOM 0 HG2 GLU A 80 -7.972 -14.080 6.514 1.00 71.42 H new ATOM 0 HG3 GLU A 80 -7.128 -15.279 5.553 1.00 71.42 H new ATOM 1298 N ASN A 81 -7.814 -13.996 2.939 1.00 11.41 N ATOM 1299 CA ASN A 81 -8.046 -14.870 1.758 1.00 3.51 C ATOM 1300 C ASN A 81 -7.787 -14.061 0.477 1.00 23.43 C ATOM 1301 O ASN A 81 -7.361 -14.608 -0.547 1.00 23.04 O ATOM 1302 CB ASN A 81 -9.494 -15.444 1.762 1.00 33.50 C ATOM 1303 CG ASN A 81 -9.793 -16.465 2.875 1.00 43.10 C ATOM 1304 OD1 ASN A 81 -10.659 -17.327 2.711 1.00 71.54 O ATOM 1305 ND2 ASN A 81 -9.094 -16.405 4.016 1.00 41.43 N ATOM 0 H ASN A 81 -8.670 -13.643 3.366 1.00 11.41 H new ATOM 0 HA ASN A 81 -7.360 -15.716 1.800 1.00 3.51 H new ATOM 0 HB2 ASN A 81 -10.196 -14.615 1.854 1.00 33.50 H new ATOM 0 HB3 ASN A 81 -9.683 -15.916 0.798 1.00 33.50 H new ATOM 0 HD21 ASN A 81 -9.276 -17.077 4.761 1.00 41.43 H new ATOM 0 HD22 ASN A 81 -8.380 -15.687 4.140 1.00 41.43 H new ATOM 1312 N ILE A 82 -8.045 -12.738 0.574 1.00 31.42 N ATOM 1313 CA ILE A 82 -7.647 -11.749 -0.435 1.00 53.22 C ATOM 1314 C ILE A 82 -6.115 -11.637 -0.449 1.00 32.54 C ATOM 1315 O ILE A 82 -5.508 -11.751 -1.508 1.00 53.41 O ATOM 1316 CB ILE A 82 -8.325 -10.347 -0.158 1.00 64.34 C ATOM 1317 CG1 ILE A 82 -9.869 -10.452 -0.388 1.00 21.22 C ATOM 1318 CG2 ILE A 82 -7.687 -9.203 -0.999 1.00 75.54 C ATOM 1319 CD1 ILE A 82 -10.646 -9.181 -0.123 1.00 74.31 C ATOM 0 H ILE A 82 -8.541 -12.329 1.366 1.00 31.42 H new ATOM 0 HA ILE A 82 -7.989 -12.077 -1.416 1.00 53.22 H new ATOM 0 HB ILE A 82 -8.146 -10.083 0.884 1.00 64.34 H new ATOM 0 HG12 ILE A 82 -10.047 -10.760 -1.418 1.00 21.22 H new ATOM 0 HG13 ILE A 82 -10.263 -11.241 0.253 1.00 21.22 H new ATOM 0 HG21 ILE A 82 -8.188 -8.262 -0.772 1.00 75.54 H new ATOM 0 HG22 ILE A 82 -6.628 -9.119 -0.755 1.00 75.54 H new ATOM 0 HG23 ILE A 82 -7.798 -9.426 -2.060 1.00 75.54 H new ATOM 0 HD11 ILE A 82 -11.705 -9.356 -0.311 1.00 74.31 H new ATOM 0 HD12 ILE A 82 -10.506 -8.879 0.915 1.00 74.31 H new ATOM 0 HD13 ILE A 82 -10.287 -8.391 -0.782 1.00 74.31 H new ATOM 1331 N ILE A 83 -5.501 -11.471 0.754 1.00 64.53 N ATOM 1332 CA ILE A 83 -4.020 -11.485 0.909 1.00 20.03 C ATOM 1333 C ILE A 83 -3.396 -12.774 0.289 1.00 1.10 C ATOM 1334 O ILE A 83 -2.405 -12.692 -0.437 1.00 10.24 O ATOM 1335 CB ILE A 83 -3.604 -11.311 2.432 1.00 62.20 C ATOM 1336 CG1 ILE A 83 -3.923 -9.861 2.927 1.00 13.53 C ATOM 1337 CG2 ILE A 83 -2.121 -11.672 2.711 1.00 60.45 C ATOM 1338 CD1 ILE A 83 -3.149 -8.750 2.214 1.00 32.34 C ATOM 0 H ILE A 83 -6.007 -11.326 1.628 1.00 64.53 H new ATOM 0 HA ILE A 83 -3.619 -10.634 0.358 1.00 20.03 H new ATOM 0 HB ILE A 83 -4.203 -12.025 2.997 1.00 62.20 H new ATOM 0 HG12 ILE A 83 -4.990 -9.677 2.803 1.00 13.53 H new ATOM 0 HG13 ILE A 83 -3.712 -9.803 3.995 1.00 13.53 H new ATOM 0 HG21 ILE A 83 -1.905 -11.530 3.770 1.00 60.45 H new ATOM 0 HG22 ILE A 83 -1.943 -12.713 2.440 1.00 60.45 H new ATOM 0 HG23 ILE A 83 -1.472 -11.027 2.119 1.00 60.45 H new ATOM 0 HD11 ILE A 83 -3.438 -7.783 2.626 1.00 32.34 H new ATOM 0 HD12 ILE A 83 -2.079 -8.901 2.359 1.00 32.34 H new ATOM 0 HD13 ILE A 83 -3.378 -8.773 1.148 1.00 32.34 H new ATOM 1350 N GLU A 84 -4.053 -13.931 0.518 1.00 12.53 N ATOM 1351 CA GLU A 84 -3.614 -15.254 0.007 1.00 62.12 C ATOM 1352 C GLU A 84 -3.626 -15.263 -1.534 1.00 42.04 C ATOM 1353 O GLU A 84 -2.643 -15.679 -2.175 1.00 5.12 O ATOM 1354 CB GLU A 84 -4.546 -16.361 0.606 1.00 71.54 C ATOM 1355 CG GLU A 84 -4.030 -17.826 0.542 1.00 4.31 C ATOM 1356 CD GLU A 84 -4.147 -18.513 -0.837 1.00 71.31 C ATOM 1357 OE1 GLU A 84 -5.277 -18.638 -1.349 1.00 52.22 O ATOM 1358 OE2 GLU A 84 -3.123 -18.961 -1.396 1.00 35.02 O ATOM 0 H GLU A 84 -4.911 -13.977 1.067 1.00 12.53 H new ATOM 0 HA GLU A 84 -2.589 -15.457 0.319 1.00 62.12 H new ATOM 0 HB2 GLU A 84 -4.738 -16.114 1.650 1.00 71.54 H new ATOM 0 HB3 GLU A 84 -5.503 -16.316 0.087 1.00 71.54 H new ATOM 0 HG2 GLU A 84 -2.984 -17.838 0.847 1.00 4.31 H new ATOM 0 HG3 GLU A 84 -4.581 -18.419 1.272 1.00 4.31 H new ATOM 1365 N SER A 85 -4.729 -14.743 -2.109 1.00 5.42 N ATOM 1366 CA SER A 85 -4.917 -14.614 -3.563 1.00 74.21 C ATOM 1367 C SER A 85 -3.845 -13.707 -4.194 1.00 65.24 C ATOM 1368 O SER A 85 -3.352 -13.984 -5.286 1.00 23.01 O ATOM 1369 CB SER A 85 -6.329 -14.060 -3.853 1.00 32.22 C ATOM 1370 OG SER A 85 -6.598 -13.992 -5.247 1.00 53.15 O ATOM 0 H SER A 85 -5.522 -14.398 -1.568 1.00 5.42 H new ATOM 0 HA SER A 85 -4.813 -15.602 -4.011 1.00 74.21 H new ATOM 0 HB2 SER A 85 -7.073 -14.694 -3.371 1.00 32.22 H new ATOM 0 HB3 SER A 85 -6.425 -13.066 -3.416 1.00 32.22 H new ATOM 0 HG SER A 85 -7.501 -13.638 -5.389 1.00 53.15 H new ATOM 1376 N ILE A 86 -3.488 -12.632 -3.479 1.00 54.24 N ATOM 1377 CA ILE A 86 -2.475 -11.664 -3.922 1.00 1.44 C ATOM 1378 C ILE A 86 -1.057 -12.291 -3.905 1.00 1.50 C ATOM 1379 O ILE A 86 -0.246 -12.007 -4.785 1.00 71.20 O ATOM 1380 CB ILE A 86 -2.568 -10.347 -3.048 1.00 2.15 C ATOM 1381 CG1 ILE A 86 -3.956 -9.640 -3.250 1.00 31.32 C ATOM 1382 CG2 ILE A 86 -1.415 -9.366 -3.319 1.00 23.30 C ATOM 1383 CD1 ILE A 86 -4.334 -9.321 -4.698 1.00 41.33 C ATOM 0 H ILE A 86 -3.896 -12.408 -2.571 1.00 54.24 H new ATOM 0 HA ILE A 86 -2.674 -11.387 -4.957 1.00 1.44 H new ATOM 0 HB ILE A 86 -2.477 -10.658 -2.007 1.00 2.15 H new ATOM 0 HG12 ILE A 86 -4.732 -10.275 -2.823 1.00 31.32 H new ATOM 0 HG13 ILE A 86 -3.956 -8.710 -2.681 1.00 31.32 H new ATOM 0 HG21 ILE A 86 -1.533 -8.483 -2.691 1.00 23.30 H new ATOM 0 HG22 ILE A 86 -0.465 -9.849 -3.091 1.00 23.30 H new ATOM 0 HG23 ILE A 86 -1.428 -9.070 -4.368 1.00 23.30 H new ATOM 0 HD11 ILE A 86 -5.309 -8.835 -4.721 1.00 41.33 H new ATOM 0 HD12 ILE A 86 -3.587 -8.656 -5.131 1.00 41.33 H new ATOM 0 HD13 ILE A 86 -4.375 -10.245 -5.275 1.00 41.33 H new ATOM 1395 N ARG A 87 -0.792 -13.193 -2.938 1.00 32.12 N ATOM 1396 CA ARG A 87 0.516 -13.885 -2.828 1.00 1.51 C ATOM 1397 C ARG A 87 0.666 -14.999 -3.886 1.00 10.05 C ATOM 1398 O ARG A 87 1.785 -15.318 -4.300 1.00 21.44 O ATOM 1399 CB ARG A 87 0.701 -14.510 -1.420 1.00 34.32 C ATOM 1400 CG ARG A 87 0.648 -13.511 -0.250 1.00 53.24 C ATOM 1401 CD ARG A 87 0.868 -14.186 1.122 1.00 43.13 C ATOM 1402 NE ARG A 87 0.031 -15.388 1.305 1.00 0.13 N ATOM 1403 CZ ARG A 87 -0.744 -15.658 2.360 1.00 34.40 C ATOM 1404 NH1 ARG A 87 -0.850 -14.818 3.396 1.00 22.05 N ATOM 1405 NH2 ARG A 87 -1.417 -16.794 2.387 1.00 23.12 N ATOM 0 H ARG A 87 -1.465 -13.462 -2.220 1.00 32.12 H new ATOM 0 HA ARG A 87 1.281 -13.128 -2.998 1.00 1.51 H new ATOM 0 HB2 ARG A 87 -0.072 -15.263 -1.269 1.00 34.32 H new ATOM 0 HB3 ARG A 87 1.660 -15.028 -1.392 1.00 34.32 H new ATOM 0 HG2 ARG A 87 1.408 -12.744 -0.398 1.00 53.24 H new ATOM 0 HG3 ARG A 87 -0.319 -13.007 -0.251 1.00 53.24 H new ATOM 0 HD2 ARG A 87 1.918 -14.460 1.223 1.00 43.13 H new ATOM 0 HD3 ARG A 87 0.648 -13.470 1.914 1.00 43.13 H new ATOM 0 HE ARG A 87 0.045 -16.079 0.555 1.00 0.13 H new ATOM 0 HH11 ARG A 87 -0.330 -13.940 3.396 1.00 22.05 H new ATOM 0 HH12 ARG A 87 -1.451 -15.055 4.185 1.00 22.05 H new ATOM 0 HH21 ARG A 87 -1.341 -17.450 1.610 1.00 23.12 H new ATOM 0 HH22 ARG A 87 -2.013 -17.015 3.185 1.00 23.12 H new ATOM 1419 N LYS A 88 -0.462 -15.622 -4.291 1.00 53.20 N ATOM 1420 CA LYS A 88 -0.432 -16.775 -5.223 1.00 4.54 C ATOM 1421 C LYS A 88 -0.478 -16.326 -6.697 1.00 4.03 C ATOM 1422 O LYS A 88 0.090 -16.996 -7.567 1.00 10.54 O ATOM 1423 CB LYS A 88 -1.576 -17.775 -4.888 1.00 54.22 C ATOM 1424 CG LYS A 88 -2.999 -17.340 -5.303 1.00 44.43 C ATOM 1425 CD LYS A 88 -4.109 -18.139 -4.583 1.00 42.24 C ATOM 1426 CE LYS A 88 -3.972 -19.664 -4.710 1.00 75.32 C ATOM 1427 NZ LYS A 88 -4.935 -20.369 -3.809 1.00 42.11 N ATOM 0 H LYS A 88 -1.398 -15.350 -3.991 1.00 53.20 H new ATOM 0 HA LYS A 88 0.519 -17.291 -5.087 1.00 4.54 H new ATOM 0 HB2 LYS A 88 -1.353 -18.726 -5.371 1.00 54.22 H new ATOM 0 HB3 LYS A 88 -1.571 -17.955 -3.813 1.00 54.22 H new ATOM 0 HG2 LYS A 88 -3.126 -16.279 -5.089 1.00 44.43 H new ATOM 0 HG3 LYS A 88 -3.111 -17.463 -6.380 1.00 44.43 H new ATOM 0 HD2 LYS A 88 -4.106 -17.872 -3.526 1.00 42.24 H new ATOM 0 HD3 LYS A 88 -5.076 -17.838 -4.985 1.00 42.24 H new ATOM 0 HE2 LYS A 88 -4.150 -19.963 -5.743 1.00 75.32 H new ATOM 0 HE3 LYS A 88 -2.953 -19.962 -4.463 1.00 75.32 H new ATOM 0 HZ1 LYS A 88 -4.553 -21.303 -3.556 1.00 42.11 H new ATOM 0 HZ2 LYS A 88 -5.077 -19.807 -2.945 1.00 42.11 H new ATOM 0 HZ3 LYS A 88 -5.845 -20.488 -4.298 1.00 42.11 H new ATOM 1441 N GLN A 89 -1.174 -15.205 -6.979 1.00 23.13 N ATOM 1442 CA GLN A 89 -1.180 -14.577 -8.321 1.00 1.05 C ATOM 1443 C GLN A 89 0.128 -13.803 -8.547 1.00 44.13 C ATOM 1444 O GLN A 89 0.718 -13.853 -9.631 1.00 70.21 O ATOM 1445 CB GLN A 89 -2.405 -13.630 -8.490 1.00 43.20 C ATOM 1446 CG GLN A 89 -3.778 -14.340 -8.453 1.00 35.31 C ATOM 1447 CD GLN A 89 -4.985 -13.390 -8.532 1.00 5.44 C ATOM 1448 OE1 GLN A 89 -4.915 -12.303 -9.109 1.00 62.01 O ATOM 1449 NE2 GLN A 89 -6.107 -13.799 -7.958 1.00 2.24 N ATOM 0 H GLN A 89 -1.743 -14.712 -6.291 1.00 23.13 H new ATOM 0 HA GLN A 89 -1.259 -15.367 -9.068 1.00 1.05 H new ATOM 0 HB2 GLN A 89 -2.378 -12.878 -7.701 1.00 43.20 H new ATOM 0 HB3 GLN A 89 -2.310 -13.100 -9.438 1.00 43.20 H new ATOM 0 HG2 GLN A 89 -3.831 -15.046 -9.282 1.00 35.31 H new ATOM 0 HG3 GLN A 89 -3.848 -14.922 -7.534 1.00 35.31 H new ATOM 0 HE21 GLN A 89 -6.139 -14.703 -7.487 1.00 2.24 H new ATOM 0 HE22 GLN A 89 -6.939 -13.210 -7.987 1.00 2.24 H new ATOM 1458 N TYR A 90 0.562 -13.076 -7.506 1.00 51.34 N ATOM 1459 CA TYR A 90 1.801 -12.282 -7.531 1.00 3.52 C ATOM 1460 C TYR A 90 2.728 -12.825 -6.421 1.00 32.32 C ATOM 1461 O TYR A 90 2.552 -12.478 -5.260 1.00 63.01 O ATOM 1462 CB TYR A 90 1.474 -10.771 -7.307 1.00 54.24 C ATOM 1463 CG TYR A 90 0.222 -10.278 -8.066 1.00 71.24 C ATOM 1464 CD1 TYR A 90 0.272 -9.971 -9.429 1.00 34.43 C ATOM 1465 CD2 TYR A 90 -1.017 -10.150 -7.419 1.00 2.01 C ATOM 1466 CE1 TYR A 90 -0.860 -9.558 -10.112 1.00 55.24 C ATOM 1467 CE2 TYR A 90 -2.145 -9.732 -8.101 1.00 63.55 C ATOM 1468 CZ TYR A 90 -2.060 -9.441 -9.444 1.00 61.54 C ATOM 1469 OH TYR A 90 -3.184 -9.041 -10.129 1.00 42.32 O ATOM 0 H TYR A 90 0.061 -13.022 -6.619 1.00 51.34 H new ATOM 0 HA TYR A 90 2.297 -12.366 -8.498 1.00 3.52 H new ATOM 0 HB2 TYR A 90 1.332 -10.595 -6.241 1.00 54.24 H new ATOM 0 HB3 TYR A 90 2.332 -10.175 -7.617 1.00 54.24 H new ATOM 0 HD1 TYR A 90 1.209 -10.057 -9.958 1.00 34.43 H new ATOM 0 HD2 TYR A 90 -1.091 -10.383 -6.367 1.00 2.01 H new ATOM 0 HE1 TYR A 90 -0.803 -9.328 -11.166 1.00 55.24 H new ATOM 0 HE2 TYR A 90 -3.088 -9.634 -7.583 1.00 63.55 H new ATOM 0 HH TYR A 90 -3.947 -9.009 -9.515 1.00 42.32 H new ATOM 1479 N PRO A 91 3.687 -13.740 -6.737 1.00 1.01 N ATOM 1480 CA PRO A 91 4.558 -14.362 -5.701 1.00 74.22 C ATOM 1481 C PRO A 91 5.549 -13.368 -5.053 1.00 4.33 C ATOM 1482 O PRO A 91 5.965 -13.550 -3.906 1.00 15.12 O ATOM 1483 CB PRO A 91 5.285 -15.486 -6.489 1.00 20.03 C ATOM 1484 CG PRO A 91 5.286 -15.020 -7.916 1.00 64.34 C ATOM 1485 CD PRO A 91 3.983 -14.269 -8.101 1.00 4.21 C ATOM 0 HA PRO A 91 3.987 -14.729 -4.848 1.00 74.22 H new ATOM 0 HB2 PRO A 91 6.300 -15.633 -6.121 1.00 20.03 H new ATOM 0 HB3 PRO A 91 4.767 -16.439 -6.385 1.00 20.03 H new ATOM 0 HG2 PRO A 91 6.142 -14.375 -8.117 1.00 64.34 H new ATOM 0 HG3 PRO A 91 5.353 -15.863 -8.604 1.00 64.34 H new ATOM 0 HD2 PRO A 91 4.084 -13.465 -8.830 1.00 4.21 H new ATOM 0 HD3 PRO A 91 3.189 -14.925 -8.458 1.00 4.21 H new ATOM 1493 N LYS A 92 5.912 -12.314 -5.800 1.00 74.24 N ATOM 1494 CA LYS A 92 6.991 -11.379 -5.418 1.00 42.10 C ATOM 1495 C LYS A 92 6.486 -10.116 -4.681 1.00 21.35 C ATOM 1496 O LYS A 92 7.270 -9.190 -4.441 1.00 11.01 O ATOM 1497 CB LYS A 92 7.767 -10.983 -6.704 1.00 22.50 C ATOM 1498 CG LYS A 92 8.268 -12.190 -7.532 1.00 65.12 C ATOM 1499 CD LYS A 92 9.016 -11.775 -8.820 1.00 52.51 C ATOM 1500 CE LYS A 92 8.156 -10.925 -9.772 1.00 2.45 C ATOM 1501 NZ LYS A 92 8.901 -10.573 -11.016 1.00 54.11 N ATOM 0 H LYS A 92 5.467 -12.082 -6.688 1.00 74.24 H new ATOM 0 HA LYS A 92 7.640 -11.890 -4.707 1.00 42.10 H new ATOM 0 HB2 LYS A 92 7.121 -10.368 -7.331 1.00 22.50 H new ATOM 0 HB3 LYS A 92 8.622 -10.367 -6.425 1.00 22.50 H new ATOM 0 HG2 LYS A 92 8.930 -12.797 -6.914 1.00 65.12 H new ATOM 0 HG3 LYS A 92 7.418 -12.817 -7.799 1.00 65.12 H new ATOM 0 HD2 LYS A 92 9.910 -11.213 -8.549 1.00 52.51 H new ATOM 0 HD3 LYS A 92 9.349 -12.671 -9.344 1.00 52.51 H new ATOM 0 HE2 LYS A 92 7.250 -11.472 -10.032 1.00 2.45 H new ATOM 0 HE3 LYS A 92 7.843 -10.013 -9.264 1.00 2.45 H new ATOM 0 HZ1 LYS A 92 8.292 -10.000 -11.635 1.00 54.11 H new ATOM 0 HZ2 LYS A 92 9.752 -10.029 -10.769 1.00 54.11 H new ATOM 0 HZ3 LYS A 92 9.178 -11.444 -11.513 1.00 54.11 H new ATOM 1515 N VAL A 93 5.190 -10.064 -4.322 1.00 24.50 N ATOM 1516 CA VAL A 93 4.609 -8.914 -3.584 1.00 71.22 C ATOM 1517 C VAL A 93 4.700 -9.149 -2.062 1.00 25.41 C ATOM 1518 O VAL A 93 4.374 -10.238 -1.578 1.00 24.53 O ATOM 1519 CB VAL A 93 3.105 -8.653 -4.009 1.00 13.24 C ATOM 1520 CG1 VAL A 93 2.196 -9.861 -3.717 1.00 72.43 C ATOM 1521 CG2 VAL A 93 2.532 -7.379 -3.355 1.00 0.42 C ATOM 0 H VAL A 93 4.519 -10.804 -4.529 1.00 24.50 H new ATOM 0 HA VAL A 93 5.189 -8.028 -3.841 1.00 71.22 H new ATOM 0 HB VAL A 93 3.121 -8.502 -5.088 1.00 13.24 H new ATOM 0 HG11 VAL A 93 1.176 -9.632 -4.026 1.00 72.43 H new ATOM 0 HG12 VAL A 93 2.556 -10.729 -4.269 1.00 72.43 H new ATOM 0 HG13 VAL A 93 2.211 -10.078 -2.649 1.00 72.43 H new ATOM 0 HG21 VAL A 93 1.499 -7.239 -3.674 1.00 0.42 H new ATOM 0 HG22 VAL A 93 2.566 -7.480 -2.270 1.00 0.42 H new ATOM 0 HG23 VAL A 93 3.125 -6.516 -3.658 1.00 0.42 H new ATOM 1531 N GLU A 94 5.177 -8.143 -1.301 1.00 44.22 N ATOM 1532 CA GLU A 94 5.076 -8.174 0.166 1.00 25.31 C ATOM 1533 C GLU A 94 3.628 -7.891 0.564 1.00 24.21 C ATOM 1534 O GLU A 94 3.017 -6.952 0.047 1.00 0.20 O ATOM 1535 CB GLU A 94 6.024 -7.152 0.855 1.00 73.13 C ATOM 1536 CG GLU A 94 7.533 -7.457 0.711 1.00 34.33 C ATOM 1537 CD GLU A 94 8.183 -6.953 -0.593 1.00 14.41 C ATOM 1538 OE1 GLU A 94 8.175 -7.683 -1.611 1.00 11.23 O ATOM 1539 OE2 GLU A 94 8.736 -5.824 -0.595 1.00 55.11 O ATOM 0 H GLU A 94 5.630 -7.310 -1.676 1.00 44.22 H new ATOM 0 HA GLU A 94 5.385 -9.164 0.503 1.00 25.31 H new ATOM 0 HB2 GLU A 94 5.828 -6.163 0.442 1.00 73.13 H new ATOM 0 HB3 GLU A 94 5.777 -7.109 1.916 1.00 73.13 H new ATOM 0 HG2 GLU A 94 8.059 -7.013 1.556 1.00 34.33 H new ATOM 0 HG3 GLU A 94 7.677 -8.535 0.777 1.00 34.33 H new ATOM 1546 N THR A 95 3.071 -8.717 1.455 1.00 54.01 N ATOM 1547 CA THR A 95 1.683 -8.580 1.927 1.00 12.53 C ATOM 1548 C THR A 95 1.622 -8.780 3.447 1.00 5.12 C ATOM 1549 O THR A 95 2.550 -9.335 4.047 1.00 62.12 O ATOM 1550 CB THR A 95 0.728 -9.625 1.251 1.00 64.24 C ATOM 1551 OG1 THR A 95 1.153 -10.950 1.580 1.00 44.00 O ATOM 1552 CG2 THR A 95 0.667 -9.487 -0.276 1.00 51.01 C ATOM 0 H THR A 95 3.569 -9.503 1.873 1.00 54.01 H new ATOM 0 HA THR A 95 1.351 -7.577 1.657 1.00 12.53 H new ATOM 0 HB THR A 95 -0.272 -9.428 1.637 1.00 64.24 H new ATOM 0 HG1 THR A 95 0.709 -11.241 2.404 1.00 44.00 H new ATOM 0 HG21 THR A 95 -0.010 -10.238 -0.682 1.00 51.01 H new ATOM 0 HG22 THR A 95 0.305 -8.493 -0.537 1.00 51.01 H new ATOM 0 HG23 THR A 95 1.663 -9.632 -0.695 1.00 51.01 H new ATOM 1560 N ARG A 96 0.524 -8.321 4.049 1.00 42.44 N ATOM 1561 CA ARG A 96 0.171 -8.606 5.441 1.00 44.34 C ATOM 1562 C ARG A 96 -1.335 -8.372 5.610 1.00 72.42 C ATOM 1563 O ARG A 96 -1.889 -7.428 5.031 1.00 31.31 O ATOM 1564 CB ARG A 96 0.975 -7.714 6.445 1.00 71.41 C ATOM 1565 CG ARG A 96 0.588 -7.952 7.923 1.00 43.33 C ATOM 1566 CD ARG A 96 1.204 -6.953 8.915 1.00 50.51 C ATOM 1567 NE ARG A 96 0.623 -7.135 10.259 1.00 11.41 N ATOM 1568 CZ ARG A 96 0.851 -6.361 11.332 1.00 2.52 C ATOM 1569 NH1 ARG A 96 1.670 -5.308 11.274 1.00 64.34 N ATOM 1570 NH2 ARG A 96 0.240 -6.644 12.474 1.00 61.33 N ATOM 0 H ARG A 96 -0.158 -7.730 3.574 1.00 42.44 H new ATOM 0 HA ARG A 96 0.428 -9.641 5.666 1.00 44.34 H new ATOM 0 HB2 ARG A 96 2.040 -7.909 6.320 1.00 71.41 H new ATOM 0 HB3 ARG A 96 0.812 -6.665 6.199 1.00 71.41 H new ATOM 0 HG2 ARG A 96 -0.498 -7.910 8.012 1.00 43.33 H new ATOM 0 HG3 ARG A 96 0.892 -8.960 8.207 1.00 43.33 H new ATOM 0 HD2 ARG A 96 2.284 -7.093 8.957 1.00 50.51 H new ATOM 0 HD3 ARG A 96 1.027 -5.934 8.571 1.00 50.51 H new ATOM 0 HE ARG A 96 -0.012 -7.923 10.385 1.00 11.41 H new ATOM 0 HH11 ARG A 96 2.140 -5.075 10.399 1.00 64.34 H new ATOM 0 HH12 ARG A 96 1.826 -4.737 12.104 1.00 64.34 H new ATOM 0 HH21 ARG A 96 -0.394 -7.441 12.529 1.00 61.33 H new ATOM 0 HH22 ARG A 96 0.404 -6.065 13.297 1.00 61.33 H new ATOM 1584 N ARG A 97 -2.002 -9.255 6.366 1.00 73.42 N ATOM 1585 CA ARG A 97 -3.374 -9.021 6.817 1.00 44.05 C ATOM 1586 C ARG A 97 -3.365 -7.856 7.819 1.00 21.33 C ATOM 1587 O ARG A 97 -2.652 -7.909 8.834 1.00 61.23 O ATOM 1588 CB ARG A 97 -3.965 -10.290 7.490 1.00 51.11 C ATOM 1589 CG ARG A 97 -5.412 -10.127 8.012 1.00 71.15 C ATOM 1590 CD ARG A 97 -5.831 -11.268 8.954 1.00 23.44 C ATOM 1591 NE ARG A 97 -5.019 -11.298 10.191 1.00 74.24 N ATOM 1592 CZ ARG A 97 -4.654 -12.410 10.858 1.00 62.54 C ATOM 1593 NH1 ARG A 97 -5.007 -13.627 10.425 1.00 24.30 N ATOM 1594 NH2 ARG A 97 -3.945 -12.296 11.975 1.00 72.24 N ATOM 0 H ARG A 97 -1.607 -10.142 6.678 1.00 73.42 H new ATOM 0 HA ARG A 97 -3.998 -8.779 5.956 1.00 44.05 H new ATOM 0 HB2 ARG A 97 -3.942 -11.110 6.772 1.00 51.11 H new ATOM 0 HB3 ARG A 97 -3.322 -10.577 8.323 1.00 51.11 H new ATOM 0 HG2 ARG A 97 -5.500 -9.176 8.537 1.00 71.15 H new ATOM 0 HG3 ARG A 97 -6.098 -10.089 7.166 1.00 71.15 H new ATOM 0 HD2 ARG A 97 -6.883 -11.154 9.215 1.00 23.44 H new ATOM 0 HD3 ARG A 97 -5.733 -12.221 8.434 1.00 23.44 H new ATOM 0 HE ARG A 97 -4.710 -10.403 10.570 1.00 74.24 H new ATOM 0 HH11 ARG A 97 -5.563 -13.725 9.575 1.00 24.30 H new ATOM 0 HH12 ARG A 97 -4.720 -14.456 10.945 1.00 24.30 H new ATOM 0 HH21 ARG A 97 -3.682 -11.373 12.320 1.00 72.24 H new ATOM 0 HH22 ARG A 97 -3.663 -13.132 12.488 1.00 72.24 H new ATOM 1608 N ALA A 98 -4.144 -6.812 7.532 1.00 44.11 N ATOM 1609 CA ALA A 98 -4.297 -5.670 8.430 1.00 61.20 C ATOM 1610 C ALA A 98 -5.785 -5.404 8.598 1.00 64.02 C ATOM 1611 O ALA A 98 -6.421 -4.836 7.708 1.00 51.40 O ATOM 1612 CB ALA A 98 -3.551 -4.444 7.880 1.00 52.24 C ATOM 0 H ALA A 98 -4.685 -6.736 6.671 1.00 44.11 H new ATOM 0 HA ALA A 98 -3.858 -5.886 9.404 1.00 61.20 H new ATOM 0 HB1 ALA A 98 -3.677 -3.604 8.563 1.00 52.24 H new ATOM 0 HB2 ALA A 98 -2.491 -4.677 7.783 1.00 52.24 H new ATOM 0 HB3 ALA A 98 -3.955 -4.180 6.903 1.00 52.24 H new ATOM 1618 N GLN A 99 -6.333 -5.834 9.746 1.00 34.10 N ATOM 1619 CA GLN A 99 -7.765 -5.714 10.051 1.00 60.43 C ATOM 1620 C GLN A 99 -8.072 -4.294 10.504 1.00 23.45 C ATOM 1621 O GLN A 99 -8.803 -3.552 9.837 1.00 14.31 O ATOM 1622 CB GLN A 99 -8.188 -6.723 11.155 1.00 72.41 C ATOM 1623 CG GLN A 99 -8.075 -8.209 10.761 1.00 52.42 C ATOM 1624 CD GLN A 99 -8.418 -9.165 11.912 1.00 61.24 C ATOM 1625 OE1 GLN A 99 -9.219 -8.837 12.791 1.00 21.41 O ATOM 1626 NE2 GLN A 99 -7.841 -10.357 11.911 1.00 53.24 N ATOM 0 H GLN A 99 -5.793 -6.276 10.490 1.00 34.10 H new ATOM 0 HA GLN A 99 -8.330 -5.942 9.148 1.00 60.43 H new ATOM 0 HB2 GLN A 99 -7.574 -6.550 12.038 1.00 72.41 H new ATOM 0 HB3 GLN A 99 -9.220 -6.516 11.439 1.00 72.41 H new ATOM 0 HG2 GLN A 99 -8.741 -8.408 9.921 1.00 52.42 H new ATOM 0 HG3 GLN A 99 -7.060 -8.412 10.418 1.00 52.42 H new ATOM 0 HE21 GLN A 99 -7.182 -10.604 11.173 1.00 53.24 H new ATOM 0 HE22 GLN A 99 -8.056 -11.028 12.649 1.00 53.24 H new ATOM 1635 N ASP A 100 -7.468 -3.935 11.638 1.00 44.32 N ATOM 1636 CA ASP A 100 -7.666 -2.642 12.290 1.00 52.14 C ATOM 1637 C ASP A 100 -6.864 -1.563 11.564 1.00 73.43 C ATOM 1638 O ASP A 100 -5.864 -1.859 10.902 1.00 61.11 O ATOM 1639 CB ASP A 100 -7.211 -2.716 13.772 1.00 33.53 C ATOM 1640 CG ASP A 100 -7.927 -3.821 14.562 1.00 42.51 C ATOM 1641 OD1 ASP A 100 -7.477 -4.990 14.510 1.00 55.21 O ATOM 1642 OD2 ASP A 100 -8.944 -3.536 15.229 1.00 52.43 O ATOM 0 H ASP A 100 -6.818 -4.544 12.135 1.00 44.32 H new ATOM 0 HA ASP A 100 -8.726 -2.391 12.253 1.00 52.14 H new ATOM 0 HB2 ASP A 100 -6.135 -2.889 13.808 1.00 33.53 H new ATOM 0 HB3 ASP A 100 -7.396 -1.755 14.252 1.00 33.53 H new ATOM 1647 N LYS A 101 -7.306 -0.311 11.725 1.00 50.31 N ATOM 1648 CA LYS A 101 -6.552 0.886 11.308 1.00 13.22 C ATOM 1649 C LYS A 101 -5.195 0.949 12.055 1.00 43.00 C ATOM 1650 O LYS A 101 -4.213 1.494 11.538 1.00 44.04 O ATOM 1651 CB LYS A 101 -7.422 2.142 11.582 1.00 24.33 C ATOM 1652 CG LYS A 101 -7.740 2.404 13.074 1.00 41.13 C ATOM 1653 CD LYS A 101 -8.793 3.517 13.281 1.00 72.12 C ATOM 1654 CE LYS A 101 -8.992 3.868 14.764 1.00 10.43 C ATOM 1655 NZ LYS A 101 -7.776 4.454 15.392 1.00 4.30 N ATOM 0 H LYS A 101 -8.206 -0.093 12.152 1.00 50.31 H new ATOM 0 HA LYS A 101 -6.330 0.843 10.242 1.00 13.22 H new ATOM 0 HB2 LYS A 101 -6.911 3.015 11.176 1.00 24.33 H new ATOM 0 HB3 LYS A 101 -8.361 2.041 11.038 1.00 24.33 H new ATOM 0 HG2 LYS A 101 -8.100 1.482 13.530 1.00 41.13 H new ATOM 0 HG3 LYS A 101 -6.822 2.679 13.593 1.00 41.13 H new ATOM 0 HD2 LYS A 101 -8.485 4.410 12.737 1.00 72.12 H new ATOM 0 HD3 LYS A 101 -9.744 3.197 12.856 1.00 72.12 H new ATOM 0 HE2 LYS A 101 -9.818 4.573 14.857 1.00 10.43 H new ATOM 0 HE3 LYS A 101 -9.278 2.969 15.309 1.00 10.43 H new ATOM 0 HZ1 LYS A 101 -7.480 3.862 16.194 1.00 4.30 H new ATOM 0 HZ2 LYS A 101 -7.009 4.496 14.691 1.00 4.30 H new ATOM 0 HZ3 LYS A 101 -7.988 5.414 15.730 1.00 4.30 H new ATOM 1669 N GLU A 102 -5.178 0.334 13.259 1.00 24.04 N ATOM 1670 CA GLU A 102 -3.970 0.120 14.068 1.00 21.00 C ATOM 1671 C GLU A 102 -2.977 -0.791 13.322 1.00 42.53 C ATOM 1672 O GLU A 102 -1.813 -0.434 13.147 1.00 65.12 O ATOM 1673 CB GLU A 102 -4.353 -0.526 15.431 1.00 52.25 C ATOM 1674 CG GLU A 102 -5.418 0.240 16.244 1.00 63.23 C ATOM 1675 CD GLU A 102 -5.044 1.702 16.550 1.00 72.32 C ATOM 1676 OE1 GLU A 102 -4.219 1.943 17.463 1.00 21.50 O ATOM 1677 OE2 GLU A 102 -5.585 2.623 15.891 1.00 40.20 O ATOM 0 H GLU A 102 -6.023 -0.032 13.698 1.00 24.04 H new ATOM 0 HA GLU A 102 -3.495 1.085 14.246 1.00 21.00 H new ATOM 0 HB2 GLU A 102 -4.717 -1.537 15.246 1.00 52.25 H new ATOM 0 HB3 GLU A 102 -3.452 -0.618 16.038 1.00 52.25 H new ATOM 0 HG2 GLU A 102 -6.359 0.224 15.695 1.00 63.23 H new ATOM 0 HG3 GLU A 102 -5.589 -0.285 17.184 1.00 63.23 H new ATOM 1684 N GLU A 103 -3.484 -1.959 12.862 1.00 12.44 N ATOM 1685 CA GLU A 103 -2.703 -2.943 12.084 1.00 10.33 C ATOM 1686 C GLU A 103 -2.058 -2.296 10.848 1.00 54.43 C ATOM 1687 O GLU A 103 -0.903 -2.579 10.534 1.00 42.22 O ATOM 1688 CB GLU A 103 -3.599 -4.116 11.622 1.00 24.01 C ATOM 1689 CG GLU A 103 -4.277 -4.918 12.741 1.00 52.12 C ATOM 1690 CD GLU A 103 -3.298 -5.663 13.661 1.00 1.14 C ATOM 1691 OE1 GLU A 103 -2.868 -6.782 13.306 1.00 20.33 O ATOM 1692 OE2 GLU A 103 -2.971 -5.142 14.746 1.00 14.35 O ATOM 0 H GLU A 103 -4.450 -2.244 13.022 1.00 12.44 H new ATOM 0 HA GLU A 103 -1.918 -3.318 12.741 1.00 10.33 H new ATOM 0 HB2 GLU A 103 -4.373 -3.720 10.964 1.00 24.01 H new ATOM 0 HB3 GLU A 103 -2.993 -4.799 11.027 1.00 24.01 H new ATOM 0 HG2 GLU A 103 -4.881 -4.240 13.344 1.00 52.12 H new ATOM 0 HG3 GLU A 103 -4.959 -5.641 12.293 1.00 52.12 H new ATOM 1699 N VAL A 104 -2.821 -1.407 10.180 1.00 54.11 N ATOM 1700 CA VAL A 104 -2.388 -0.754 8.939 1.00 3.11 C ATOM 1701 C VAL A 104 -1.219 0.206 9.189 1.00 33.53 C ATOM 1702 O VAL A 104 -0.148 0.037 8.607 1.00 14.23 O ATOM 1703 CB VAL A 104 -3.553 0.040 8.248 1.00 0.21 C ATOM 1704 CG1 VAL A 104 -3.085 0.660 6.911 1.00 71.43 C ATOM 1705 CG2 VAL A 104 -4.801 -0.842 8.051 1.00 15.41 C ATOM 0 H VAL A 104 -3.751 -1.126 10.489 1.00 54.11 H new ATOM 0 HA VAL A 104 -2.067 -1.557 8.275 1.00 3.11 H new ATOM 0 HB VAL A 104 -3.836 0.856 8.913 1.00 0.21 H new ATOM 0 HG11 VAL A 104 -3.911 1.204 6.453 1.00 71.43 H new ATOM 0 HG12 VAL A 104 -2.258 1.345 7.097 1.00 71.43 H new ATOM 0 HG13 VAL A 104 -2.755 -0.132 6.238 1.00 71.43 H new ATOM 0 HG21 VAL A 104 -5.586 -0.259 7.570 1.00 15.41 H new ATOM 0 HG22 VAL A 104 -4.547 -1.696 7.423 1.00 15.41 H new ATOM 0 HG23 VAL A 104 -5.153 -1.196 9.020 1.00 15.41 H new ATOM 1715 N LYS A 105 -1.434 1.198 10.077 1.00 72.23 N ATOM 1716 CA LYS A 105 -0.470 2.294 10.290 1.00 21.54 C ATOM 1717 C LYS A 105 0.859 1.782 10.879 1.00 62.23 C ATOM 1718 O LYS A 105 1.918 2.323 10.571 1.00 61.24 O ATOM 1719 CB LYS A 105 -1.087 3.409 11.176 1.00 61.14 C ATOM 1720 CG LYS A 105 -1.387 2.987 12.628 1.00 64.31 C ATOM 1721 CD LYS A 105 -2.189 4.043 13.418 1.00 13.05 C ATOM 1722 CE LYS A 105 -2.423 3.620 14.873 1.00 61.23 C ATOM 1723 NZ LYS A 105 -3.385 4.513 15.565 1.00 61.34 N ATOM 0 H LYS A 105 -2.269 1.261 10.659 1.00 72.23 H new ATOM 0 HA LYS A 105 -0.242 2.724 9.315 1.00 21.54 H new ATOM 0 HB2 LYS A 105 -0.405 4.259 11.193 1.00 61.14 H new ATOM 0 HB3 LYS A 105 -2.013 3.751 10.713 1.00 61.14 H new ATOM 0 HG2 LYS A 105 -1.944 2.050 12.619 1.00 64.31 H new ATOM 0 HG3 LYS A 105 -0.447 2.794 13.144 1.00 64.31 H new ATOM 0 HD2 LYS A 105 -1.654 4.993 13.399 1.00 13.05 H new ATOM 0 HD3 LYS A 105 -3.150 4.208 12.930 1.00 13.05 H new ATOM 0 HE2 LYS A 105 -2.797 2.596 14.897 1.00 61.23 H new ATOM 0 HE3 LYS A 105 -1.474 3.625 15.409 1.00 61.23 H new ATOM 0 HZ1 LYS A 105 -3.773 4.026 16.398 1.00 61.34 H new ATOM 0 HZ2 LYS A 105 -2.898 5.381 15.867 1.00 61.34 H new ATOM 0 HZ3 LYS A 105 -4.159 4.759 14.916 1.00 61.34 H new ATOM 1737 N ASP A 106 0.784 0.748 11.736 1.00 14.40 N ATOM 1738 CA ASP A 106 1.971 0.062 12.289 1.00 70.51 C ATOM 1739 C ASP A 106 2.669 -0.832 11.245 1.00 1.34 C ATOM 1740 O ASP A 106 3.890 -0.998 11.297 1.00 25.33 O ATOM 1741 CB ASP A 106 1.557 -0.757 13.543 1.00 4.35 C ATOM 1742 CG ASP A 106 1.280 0.135 14.769 1.00 64.44 C ATOM 1743 OD1 ASP A 106 0.210 0.774 14.831 1.00 75.45 O ATOM 1744 OD2 ASP A 106 2.146 0.231 15.666 1.00 72.23 O ATOM 0 H ASP A 106 -0.101 0.362 12.066 1.00 14.40 H new ATOM 0 HA ASP A 106 2.699 0.821 12.577 1.00 70.51 H new ATOM 0 HB2 ASP A 106 0.665 -1.340 13.313 1.00 4.35 H new ATOM 0 HB3 ASP A 106 2.348 -1.467 13.786 1.00 4.35 H new ATOM 1749 N ALA A 107 1.891 -1.405 10.301 1.00 1.11 N ATOM 1750 CA ALA A 107 2.452 -2.198 9.180 1.00 14.31 C ATOM 1751 C ALA A 107 3.211 -1.298 8.195 1.00 13.35 C ATOM 1752 O ALA A 107 4.233 -1.708 7.631 1.00 65.32 O ATOM 1753 CB ALA A 107 1.356 -2.986 8.447 1.00 41.25 C ATOM 0 H ALA A 107 0.873 -1.335 10.291 1.00 1.11 H new ATOM 0 HA ALA A 107 3.155 -2.913 9.607 1.00 14.31 H new ATOM 0 HB1 ALA A 107 1.801 -3.556 7.632 1.00 41.25 H new ATOM 0 HB2 ALA A 107 0.871 -3.669 9.144 1.00 41.25 H new ATOM 0 HB3 ALA A 107 0.617 -2.293 8.044 1.00 41.25 H new ATOM 1759 N VAL A 108 2.695 -0.064 8.013 1.00 54.42 N ATOM 1760 CA VAL A 108 3.344 0.969 7.194 1.00 22.43 C ATOM 1761 C VAL A 108 4.650 1.397 7.877 1.00 55.13 C ATOM 1762 O VAL A 108 5.732 1.231 7.310 1.00 55.32 O ATOM 1763 CB VAL A 108 2.411 2.225 6.976 1.00 34.32 C ATOM 1764 CG1 VAL A 108 3.130 3.349 6.190 1.00 52.45 C ATOM 1765 CG2 VAL A 108 1.101 1.820 6.269 1.00 35.12 C ATOM 0 H VAL A 108 1.816 0.239 8.432 1.00 54.42 H new ATOM 0 HA VAL A 108 3.550 0.547 6.210 1.00 22.43 H new ATOM 0 HB VAL A 108 2.166 2.620 7.962 1.00 34.32 H new ATOM 0 HG11 VAL A 108 2.453 4.194 6.062 1.00 52.45 H new ATOM 0 HG12 VAL A 108 4.013 3.672 6.742 1.00 52.45 H new ATOM 0 HG13 VAL A 108 3.431 2.974 5.212 1.00 52.45 H new ATOM 0 HG21 VAL A 108 0.475 2.701 6.130 1.00 35.12 H new ATOM 0 HG22 VAL A 108 1.332 1.382 5.298 1.00 35.12 H new ATOM 0 HG23 VAL A 108 0.569 1.090 6.879 1.00 35.12 H new ATOM 1775 N GLU A 109 4.505 1.852 9.144 1.00 61.11 N ATOM 1776 CA GLU A 109 5.603 2.342 10.001 1.00 53.13 C ATOM 1777 C GLU A 109 6.787 1.358 10.027 1.00 34.10 C ATOM 1778 O GLU A 109 7.944 1.764 9.877 1.00 14.34 O ATOM 1779 CB GLU A 109 5.076 2.569 11.448 1.00 11.42 C ATOM 1780 CG GLU A 109 6.142 3.057 12.444 1.00 65.34 C ATOM 1781 CD GLU A 109 5.640 3.174 13.890 1.00 42.13 C ATOM 1782 OE1 GLU A 109 5.377 2.129 14.515 1.00 22.40 O ATOM 1783 OE2 GLU A 109 5.530 4.296 14.420 1.00 4.44 O ATOM 0 H GLU A 109 3.597 1.888 9.607 1.00 61.11 H new ATOM 0 HA GLU A 109 5.960 3.283 9.583 1.00 53.13 H new ATOM 0 HB2 GLU A 109 4.266 3.297 11.416 1.00 11.42 H new ATOM 0 HB3 GLU A 109 4.651 1.636 11.817 1.00 11.42 H new ATOM 0 HG2 GLU A 109 6.989 2.371 12.419 1.00 65.34 H new ATOM 0 HG3 GLU A 109 6.510 4.030 12.118 1.00 65.34 H new ATOM 1790 N GLU A 110 6.454 0.058 10.161 1.00 74.51 N ATOM 1791 CA GLU A 110 7.438 -1.037 10.234 1.00 12.32 C ATOM 1792 C GLU A 110 8.166 -1.221 8.894 1.00 5.42 C ATOM 1793 O GLU A 110 9.388 -1.282 8.866 1.00 21.14 O ATOM 1794 CB GLU A 110 6.751 -2.365 10.650 1.00 14.14 C ATOM 1795 CG GLU A 110 7.736 -3.528 10.860 1.00 1.13 C ATOM 1796 CD GLU A 110 7.062 -4.794 11.390 1.00 61.31 C ATOM 1797 OE1 GLU A 110 6.885 -5.761 10.623 1.00 73.12 O ATOM 1798 OE2 GLU A 110 6.688 -4.817 12.582 1.00 54.31 O ATOM 0 H GLU A 110 5.487 -0.262 10.222 1.00 74.51 H new ATOM 0 HA GLU A 110 8.175 -0.768 10.991 1.00 12.32 H new ATOM 0 HB2 GLU A 110 6.192 -2.202 11.572 1.00 14.14 H new ATOM 0 HB3 GLU A 110 6.028 -2.646 9.884 1.00 14.14 H new ATOM 0 HG2 GLU A 110 8.229 -3.754 9.915 1.00 1.13 H new ATOM 0 HG3 GLU A 110 8.513 -3.217 11.558 1.00 1.13 H new ATOM 1805 N PHE A 111 7.392 -1.261 7.786 1.00 22.33 N ATOM 1806 CA PHE A 111 7.925 -1.407 6.405 1.00 41.30 C ATOM 1807 C PHE A 111 8.911 -0.256 6.076 1.00 30.04 C ATOM 1808 O PHE A 111 9.836 -0.418 5.274 1.00 74.34 O ATOM 1809 CB PHE A 111 6.731 -1.435 5.396 1.00 25.51 C ATOM 1810 CG PHE A 111 7.046 -1.901 3.960 1.00 42.53 C ATOM 1811 CD1 PHE A 111 6.922 -3.246 3.599 1.00 21.13 C ATOM 1812 CD2 PHE A 111 7.415 -0.995 2.961 1.00 11.32 C ATOM 1813 CE1 PHE A 111 7.165 -3.664 2.299 1.00 22.21 C ATOM 1814 CE2 PHE A 111 7.665 -1.417 1.664 1.00 15.24 C ATOM 1815 CZ PHE A 111 7.533 -2.750 1.331 1.00 14.12 C ATOM 0 H PHE A 111 6.375 -1.193 7.821 1.00 22.33 H new ATOM 0 HA PHE A 111 8.478 -2.343 6.324 1.00 41.30 H new ATOM 0 HB2 PHE A 111 5.958 -2.086 5.803 1.00 25.51 H new ATOM 0 HB3 PHE A 111 6.307 -0.432 5.343 1.00 25.51 H new ATOM 0 HD1 PHE A 111 6.632 -3.971 4.345 1.00 21.13 H new ATOM 0 HD2 PHE A 111 7.507 0.053 3.204 1.00 11.32 H new ATOM 0 HE1 PHE A 111 7.066 -4.708 2.043 1.00 22.21 H new ATOM 0 HE2 PHE A 111 7.964 -0.701 0.913 1.00 15.24 H new ATOM 0 HZ PHE A 111 7.717 -3.077 0.318 1.00 14.12 H new ATOM 1825 N LEU A 112 8.702 0.897 6.745 1.00 62.42 N ATOM 1826 CA LEU A 112 9.564 2.085 6.625 1.00 32.11 C ATOM 1827 C LEU A 112 10.828 1.957 7.494 1.00 61.51 C ATOM 1828 O LEU A 112 11.925 2.297 7.031 1.00 71.32 O ATOM 1829 CB LEU A 112 8.767 3.359 7.007 1.00 34.33 C ATOM 1830 CG LEU A 112 7.436 3.559 6.226 1.00 23.24 C ATOM 1831 CD1 LEU A 112 6.722 4.850 6.634 1.00 21.41 C ATOM 1832 CD2 LEU A 112 7.659 3.493 4.712 1.00 33.53 C ATOM 0 H LEU A 112 7.922 1.028 7.389 1.00 62.42 H new ATOM 0 HA LEU A 112 9.887 2.164 5.587 1.00 32.11 H new ATOM 0 HB2 LEU A 112 8.544 3.324 8.073 1.00 34.33 H new ATOM 0 HB3 LEU A 112 9.402 4.230 6.843 1.00 34.33 H new ATOM 0 HG LEU A 112 6.779 2.733 6.497 1.00 23.24 H new ATOM 0 HD11 LEU A 112 5.798 4.950 6.065 1.00 21.41 H new ATOM 0 HD12 LEU A 112 6.491 4.817 7.699 1.00 21.41 H new ATOM 0 HD13 LEU A 112 7.368 5.703 6.430 1.00 21.41 H new ATOM 0 HD21 LEU A 112 6.709 3.637 4.198 1.00 33.53 H new ATOM 0 HD22 LEU A 112 8.356 4.276 4.412 1.00 33.53 H new ATOM 0 HD23 LEU A 112 8.071 2.519 4.447 1.00 33.53 H new ATOM 1844 N LYS A 113 10.678 1.470 8.758 1.00 44.10 N ATOM 1845 CA LYS A 113 11.823 1.252 9.677 1.00 50.32 C ATOM 1846 C LYS A 113 12.819 0.248 9.070 1.00 51.03 C ATOM 1847 O LYS A 113 14.033 0.464 9.099 1.00 62.54 O ATOM 1848 CB LYS A 113 11.360 0.728 11.073 1.00 71.33 C ATOM 1849 CG LYS A 113 10.424 1.659 11.873 1.00 63.02 C ATOM 1850 CD LYS A 113 10.219 1.178 13.332 1.00 35.31 C ATOM 1851 CE LYS A 113 9.168 1.991 14.104 1.00 23.32 C ATOM 1852 NZ LYS A 113 9.405 3.461 14.058 1.00 31.11 N ATOM 0 H LYS A 113 9.774 1.222 9.160 1.00 44.10 H new ATOM 0 HA LYS A 113 12.307 2.219 9.814 1.00 50.32 H new ATOM 0 HB2 LYS A 113 10.854 -0.227 10.930 1.00 71.33 H new ATOM 0 HB3 LYS A 113 12.246 0.532 11.677 1.00 71.33 H new ATOM 0 HG2 LYS A 113 10.838 2.667 11.880 1.00 63.02 H new ATOM 0 HG3 LYS A 113 9.457 1.715 11.373 1.00 63.02 H new ATOM 0 HD2 LYS A 113 9.920 0.130 13.322 1.00 35.31 H new ATOM 0 HD3 LYS A 113 11.170 1.233 13.861 1.00 35.31 H new ATOM 0 HE2 LYS A 113 8.181 1.777 13.694 1.00 23.32 H new ATOM 0 HE3 LYS A 113 9.159 1.664 15.144 1.00 23.32 H new ATOM 0 HZ1 LYS A 113 8.626 3.954 14.539 1.00 31.11 H new ATOM 0 HZ2 LYS A 113 10.302 3.683 14.535 1.00 31.11 H new ATOM 0 HZ3 LYS A 113 9.453 3.774 13.067 1.00 31.11 H new ATOM 1866 N GLU A 114 12.267 -0.834 8.501 1.00 60.40 N ATOM 1867 CA GLU A 114 13.056 -1.912 7.896 1.00 51.31 C ATOM 1868 C GLU A 114 13.567 -1.494 6.500 1.00 23.13 C ATOM 1869 O GLU A 114 14.521 -2.081 5.988 1.00 42.11 O ATOM 1870 CB GLU A 114 12.207 -3.217 7.797 1.00 55.23 C ATOM 1871 CG GLU A 114 11.463 -3.630 9.099 1.00 13.55 C ATOM 1872 CD GLU A 114 12.321 -3.561 10.381 1.00 73.44 C ATOM 1873 OE1 GLU A 114 13.129 -4.477 10.629 1.00 64.41 O ATOM 1874 OE2 GLU A 114 12.185 -2.589 11.151 1.00 34.31 O ATOM 0 H GLU A 114 11.259 -0.984 8.448 1.00 60.40 H new ATOM 0 HA GLU A 114 13.919 -2.106 8.533 1.00 51.31 H new ATOM 0 HB2 GLU A 114 11.471 -3.092 7.003 1.00 55.23 H new ATOM 0 HB3 GLU A 114 12.863 -4.035 7.498 1.00 55.23 H new ATOM 0 HG2 GLU A 114 10.593 -2.985 9.225 1.00 13.55 H new ATOM 0 HG3 GLU A 114 11.091 -4.648 8.981 1.00 13.55 H new ATOM 1881 N GLY A 115 12.913 -0.481 5.890 1.00 14.42 N ATOM 1882 CA GLY A 115 13.282 0.023 4.558 1.00 30.31 C ATOM 1883 C GLY A 115 12.514 -0.689 3.451 1.00 34.24 C ATOM 1884 O GLY A 115 12.019 -0.061 2.519 1.00 35.15 O ATOM 0 H GLY A 115 12.120 0.005 6.308 1.00 14.42 H new ATOM 0 HA2 GLY A 115 13.084 1.094 4.507 1.00 30.31 H new ATOM 0 HA3 GLY A 115 14.352 -0.111 4.402 1.00 30.31 H new ATOM 1888 N GLY A 116 12.431 -2.010 3.577 1.00 65.23 N ATOM 1889 CA GLY A 116 11.631 -2.854 2.701 1.00 33.52 C ATOM 1890 C GLY A 116 11.288 -4.145 3.426 1.00 71.32 C ATOM 1891 O GLY A 116 12.101 -4.621 4.226 1.00 3.55 O ATOM 0 H GLY A 116 12.926 -2.530 4.302 1.00 65.23 H new ATOM 0 HA2 GLY A 116 10.719 -2.334 2.409 1.00 33.52 H new ATOM 0 HA3 GLY A 116 12.181 -3.072 1.785 1.00 33.52 H new ATOM 1895 N SER A 117 10.089 -4.689 3.158 1.00 14.53 N ATOM 1896 CA SER A 117 9.582 -5.957 3.747 1.00 41.40 C ATOM 1897 C SER A 117 9.424 -5.927 5.290 1.00 73.21 C ATOM 1898 O SER A 117 9.755 -4.938 5.959 1.00 34.11 O ATOM 1899 CB SER A 117 10.459 -7.146 3.302 1.00 22.35 C ATOM 1900 OG SER A 117 10.431 -7.315 1.901 1.00 5.24 O ATOM 0 H SER A 117 9.426 -4.257 2.514 1.00 14.53 H new ATOM 0 HA SER A 117 8.571 -6.084 3.359 1.00 41.40 H new ATOM 0 HB2 SER A 117 11.486 -6.984 3.629 1.00 22.35 H new ATOM 0 HB3 SER A 117 10.110 -8.058 3.786 1.00 22.35 H new ATOM 0 HG SER A 117 10.863 -8.162 1.665 1.00 5.24 H new ATOM 1906 N LEU A 118 8.881 -7.033 5.837 1.00 71.41 N ATOM 1907 CA LEU A 118 8.536 -7.158 7.264 1.00 15.34 C ATOM 1908 C LEU A 118 9.270 -8.374 7.890 1.00 34.33 C ATOM 1909 O LEU A 118 9.980 -8.235 8.898 1.00 60.33 O ATOM 1910 CB LEU A 118 6.990 -7.292 7.408 1.00 32.34 C ATOM 1911 CG LEU A 118 6.127 -6.189 6.702 1.00 44.24 C ATOM 1912 CD1 LEU A 118 4.620 -6.503 6.816 1.00 35.34 C ATOM 1913 CD2 LEU A 118 6.452 -4.783 7.251 1.00 43.44 C ATOM 0 H LEU A 118 8.669 -7.870 5.295 1.00 71.41 H new ATOM 0 HA LEU A 118 8.860 -6.267 7.801 1.00 15.34 H new ATOM 0 HB2 LEU A 118 6.693 -8.263 7.013 1.00 32.34 H new ATOM 0 HB3 LEU A 118 6.744 -7.291 8.470 1.00 32.34 H new ATOM 0 HG LEU A 118 6.386 -6.194 5.643 1.00 44.24 H new ATOM 0 HD11 LEU A 118 4.047 -5.721 6.318 1.00 35.34 H new ATOM 0 HD12 LEU A 118 4.412 -7.463 6.344 1.00 35.34 H new ATOM 0 HD13 LEU A 118 4.336 -6.547 7.867 1.00 35.34 H new ATOM 0 HD21 LEU A 118 5.837 -4.042 6.741 1.00 43.44 H new ATOM 0 HD22 LEU A 118 6.244 -4.753 8.321 1.00 43.44 H new ATOM 0 HD23 LEU A 118 7.505 -4.560 7.080 1.00 43.44 H new ATOM 1925 N GLU A 119 9.119 -9.561 7.255 1.00 71.13 N ATOM 1926 CA GLU A 119 9.731 -10.817 7.746 1.00 11.41 C ATOM 1927 C GLU A 119 11.259 -10.786 7.518 1.00 70.13 C ATOM 1928 O GLU A 119 12.042 -10.752 8.468 1.00 53.24 O ATOM 1929 CB GLU A 119 9.113 -12.078 7.055 1.00 34.43 C ATOM 1930 CG GLU A 119 7.572 -12.253 7.174 1.00 23.21 C ATOM 1931 CD GLU A 119 6.767 -11.425 6.153 1.00 52.34 C ATOM 1932 OE1 GLU A 119 6.752 -11.798 4.959 1.00 61.12 O ATOM 1933 OE2 GLU A 119 6.136 -10.417 6.532 1.00 70.33 O ATOM 0 H GLU A 119 8.576 -9.674 6.399 1.00 71.13 H new ATOM 0 HA GLU A 119 9.521 -10.889 8.813 1.00 11.41 H new ATOM 0 HB2 GLU A 119 9.372 -12.047 5.997 1.00 34.43 H new ATOM 0 HB3 GLU A 119 9.590 -12.964 7.474 1.00 34.43 H new ATOM 0 HG2 GLU A 119 7.325 -13.307 7.047 1.00 23.21 H new ATOM 0 HG3 GLU A 119 7.261 -11.972 8.180 1.00 23.21 H new ATOM 1940 N HIS A 120 11.667 -10.801 6.239 1.00 31.22 N ATOM 1941 CA HIS A 120 13.076 -10.650 5.823 1.00 70.34 C ATOM 1942 C HIS A 120 13.147 -9.522 4.794 1.00 73.24 C ATOM 1943 O HIS A 120 12.434 -9.544 3.789 1.00 21.13 O ATOM 1944 CB HIS A 120 13.665 -11.979 5.283 1.00 2.22 C ATOM 1945 CG HIS A 120 14.031 -12.950 6.382 1.00 21.14 C ATOM 1946 ND1 HIS A 120 13.153 -13.882 6.896 1.00 2.41 N ATOM 1947 CD2 HIS A 120 15.181 -13.095 7.090 1.00 24.31 C ATOM 1948 CE1 HIS A 120 13.747 -14.556 7.861 1.00 34.14 C ATOM 1949 NE2 HIS A 120 14.974 -14.100 7.999 1.00 12.45 N ATOM 0 H HIS A 120 11.025 -10.919 5.456 1.00 31.22 H new ATOM 0 HA HIS A 120 13.691 -10.392 6.685 1.00 70.34 H new ATOM 0 HB2 HIS A 120 12.940 -12.448 4.617 1.00 2.22 H new ATOM 0 HB3 HIS A 120 14.551 -11.762 4.687 1.00 2.22 H new ATOM 0 HD2 HIS A 120 16.089 -12.525 6.961 1.00 24.31 H new ATOM 0 HE1 HIS A 120 13.301 -15.350 8.442 1.00 34.14 H new ATOM 0 HE2 HIS A 120 15.660 -14.440 8.673 1.00 12.45 H new ATOM 1958 N HIS A 121 14.047 -8.568 5.058 1.00 62.14 N ATOM 1959 CA HIS A 121 13.971 -7.193 4.541 1.00 61.54 C ATOM 1960 C HIS A 121 14.447 -7.075 3.091 1.00 1.22 C ATOM 1961 O HIS A 121 15.531 -7.543 2.743 1.00 23.11 O ATOM 1962 CB HIS A 121 14.773 -6.263 5.483 1.00 35.11 C ATOM 1963 CG HIS A 121 14.400 -6.473 6.929 1.00 31.43 C ATOM 1964 ND1 HIS A 121 13.087 -6.543 7.342 1.00 41.11 N ATOM 1965 CD2 HIS A 121 15.146 -6.748 8.026 1.00 63.32 C ATOM 1966 CE1 HIS A 121 13.048 -6.867 8.611 1.00 42.11 C ATOM 1967 NE2 HIS A 121 14.279 -6.989 9.057 1.00 4.10 N ATOM 0 H HIS A 121 14.864 -8.731 5.647 1.00 62.14 H new ATOM 0 HA HIS A 121 12.925 -6.888 4.526 1.00 61.54 H new ATOM 0 HB2 HIS A 121 15.840 -6.446 5.353 1.00 35.11 H new ATOM 0 HB3 HIS A 121 14.592 -5.224 5.208 1.00 35.11 H new ATOM 0 HD2 HIS A 121 16.225 -6.772 8.077 1.00 63.32 H new ATOM 0 HE1 HIS A 121 12.151 -7.010 9.195 1.00 42.11 H new ATOM 0 HE2 HIS A 121 14.544 -7.224 10.013 1.00 4.10 H new ATOM 1976 N HIS A 122 13.609 -6.424 2.269 1.00 74.13 N ATOM 1977 CA HIS A 122 13.856 -6.197 0.843 1.00 60.30 C ATOM 1978 C HIS A 122 14.820 -5.011 0.685 1.00 2.41 C ATOM 1979 O HIS A 122 14.409 -3.892 0.352 1.00 52.32 O ATOM 1980 CB HIS A 122 12.497 -5.949 0.108 1.00 45.14 C ATOM 1981 CG HIS A 122 12.515 -6.066 -1.388 1.00 33.24 C ATOM 1982 ND1 HIS A 122 11.362 -6.137 -2.142 1.00 74.31 N ATOM 1983 CD2 HIS A 122 13.534 -6.106 -2.274 1.00 23.15 C ATOM 1984 CE1 HIS A 122 11.676 -6.216 -3.413 1.00 15.12 C ATOM 1985 NE2 HIS A 122 12.986 -6.197 -3.520 1.00 54.21 N ATOM 0 H HIS A 122 12.722 -6.034 2.588 1.00 74.13 H new ATOM 0 HA HIS A 122 14.319 -7.074 0.390 1.00 60.30 H new ATOM 0 HB2 HIS A 122 11.765 -6.656 0.497 1.00 45.14 H new ATOM 0 HB3 HIS A 122 12.145 -4.951 0.368 1.00 45.14 H new ATOM 0 HD1 HIS A 122 10.413 -6.129 -1.769 1.00 74.31 H new ATOM 0 HD2 HIS A 122 14.588 -6.072 -2.039 1.00 23.15 H new ATOM 0 HE1 HIS A 122 10.977 -6.285 -4.233 1.00 15.12 H new ATOM 1994 N HIS A 123 16.107 -5.257 0.983 1.00 61.43 N ATOM 1995 CA HIS A 123 17.174 -4.252 0.832 1.00 44.41 C ATOM 1996 C HIS A 123 17.847 -4.413 -0.547 1.00 13.45 C ATOM 1997 O HIS A 123 19.072 -4.522 -0.674 1.00 54.00 O ATOM 1998 CB HIS A 123 18.170 -4.309 2.027 1.00 32.13 C ATOM 1999 CG HIS A 123 18.830 -5.637 2.299 1.00 75.33 C ATOM 2000 ND1 HIS A 123 20.013 -6.020 1.711 1.00 0.20 N ATOM 2001 CD2 HIS A 123 18.488 -6.651 3.133 1.00 41.44 C ATOM 2002 CE1 HIS A 123 20.379 -7.194 2.179 1.00 24.33 C ATOM 2003 NE2 HIS A 123 19.468 -7.600 3.040 1.00 54.52 N ATOM 0 H HIS A 123 16.437 -6.156 1.335 1.00 61.43 H new ATOM 0 HA HIS A 123 16.746 -3.250 0.861 1.00 44.41 H new ATOM 0 HB2 HIS A 123 18.952 -3.570 1.853 1.00 32.13 H new ATOM 0 HB3 HIS A 123 17.638 -4.003 2.928 1.00 32.13 H new ATOM 0 HD2 HIS A 123 17.606 -6.700 3.755 1.00 41.44 H new ATOM 0 HE1 HIS A 123 21.274 -7.733 1.904 1.00 24.33 H new ATOM 0 HE2 HIS A 123 19.490 -8.481 3.554 1.00 54.52 H new ATOM 2012 N HIS A 124 16.989 -4.393 -1.583 1.00 3.23 N ATOM 2013 CA HIS A 124 17.378 -4.551 -2.990 1.00 75.44 C ATOM 2014 C HIS A 124 16.386 -3.762 -3.863 1.00 72.44 C ATOM 2015 O HIS A 124 15.175 -3.996 -3.799 1.00 73.42 O ATOM 2016 CB HIS A 124 17.387 -6.051 -3.392 1.00 14.24 C ATOM 2017 CG HIS A 124 17.865 -6.320 -4.800 1.00 21.32 C ATOM 2018 ND1 HIS A 124 17.011 -6.576 -5.850 1.00 41.21 N ATOM 2019 CD2 HIS A 124 19.115 -6.376 -5.324 1.00 25.44 C ATOM 2020 CE1 HIS A 124 17.705 -6.781 -6.946 1.00 54.51 C ATOM 2021 NE2 HIS A 124 18.983 -6.661 -6.659 1.00 44.25 N ATOM 0 H HIS A 124 15.985 -4.264 -1.459 1.00 3.23 H new ATOM 0 HA HIS A 124 18.387 -4.165 -3.138 1.00 75.44 H new ATOM 0 HB2 HIS A 124 18.023 -6.597 -2.695 1.00 14.24 H new ATOM 0 HB3 HIS A 124 16.378 -6.450 -3.282 1.00 14.24 H new ATOM 0 HD2 HIS A 124 20.041 -6.224 -4.790 1.00 25.44 H new ATOM 0 HE1 HIS A 124 17.295 -7.010 -7.919 1.00 54.51 H new ATOM 0 HE2 HIS A 124 19.751 -6.763 -7.322 1.00 44.25 H new ATOM 2030 N HIS A 125 16.905 -2.831 -4.663 1.00 33.15 N ATOM 2031 CA HIS A 125 16.103 -1.982 -5.558 1.00 74.33 C ATOM 2032 C HIS A 125 16.842 -1.829 -6.904 1.00 74.51 C ATOM 2033 O HIS A 125 18.054 -1.533 -6.890 1.00 2.14 O ATOM 2034 CB HIS A 125 15.795 -0.602 -4.904 1.00 13.53 C ATOM 2035 CG HIS A 125 17.005 0.242 -4.572 1.00 23.24 C ATOM 2036 ND1 HIS A 125 17.392 1.335 -5.322 1.00 62.21 N ATOM 2037 CD2 HIS A 125 17.915 0.147 -3.568 1.00 4.03 C ATOM 2038 CE1 HIS A 125 18.479 1.865 -4.799 1.00 74.21 C ATOM 2039 NE2 HIS A 125 18.821 1.163 -3.739 1.00 71.12 N ATOM 2040 OXT HIS A 125 16.218 -2.013 -7.960 1.00 38.11 O ATOM 0 H HIS A 125 17.906 -2.639 -4.712 1.00 33.15 H new ATOM 0 HA HIS A 125 15.139 -2.458 -5.740 1.00 74.33 H new ATOM 0 HB2 HIS A 125 15.151 -0.035 -5.577 1.00 13.53 H new ATOM 0 HB3 HIS A 125 15.229 -0.771 -3.988 1.00 13.53 H new ATOM 0 HD2 HIS A 125 17.924 -0.592 -2.780 1.00 4.03 H new ATOM 0 HE1 HIS A 125 19.002 2.731 -5.177 1.00 74.21 H new ATOM 0 HE2 HIS A 125 19.628 1.345 -3.142 1.00 71.12 H new TER 2049 HIS A 125