USER MOD reduce.3.24.130724 H: found=0, std=0, add=1080, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1082 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 60 SER OG : rot -3:sc= -0.133 USER MOD Set 1.2: B 160 SER OG : rot 173:sc= -2.41! USER MOD Set 2.1: A 24 GLN :FLIP amide:sc= -0.564 F(o=-2.3!,f=-0.5) USER MOD Set 2.2: A 26 TYR OH : rot -61:sc= 0.0643 USER MOD Single : A 8 SER OG : rot -24:sc= 0.476 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.00297 K(o=-0.003,f=-0.95) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= -0.469 (180deg=-0.476) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0315 X(o=-0.032,f=-0.068) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.0738 X(o=-0.074,f=-0.091) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -44:sc= 0.665 USER MOD Single : A 56 ASN : amide:sc= 0.34 K(o=0.34,f=-1.5) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0117 F(o=-1.2,f=-0.012) USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= -0.0583 (180deg=-0.383) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.109 F(o=-1.7!,f=-0.11) USER MOD Single : A 74 SER OG : rot 122:sc= 0.893 USER MOD Single : B 108 SER OG : rot -29:sc= 0.276 USER MOD Single : B 114 THR OG1 : rot -100:sc= 1.06 USER MOD Single : B 117 GLN : amide:sc= -0.0117 K(o=-0.012,f=-1) USER MOD Single : B 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 122 THR OG1 : rot 180:sc= -0.0684 USER MOD Single : B 124 GLN :FLIP amide:sc= -0.533 F(o=-3,f=-0.53) USER MOD Single : B 126 TYR OH : rot -145:sc= 1.23 USER MOD Single : B 129 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.0033) USER MOD Single : B 133 TYR OH : rot 180:sc= 0 USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 141 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 143 LYS NZ :NH3+ 144:sc= 0.712 (180deg=-0.785!) USER MOD Single : B 145 TYR OH : rot 180:sc= 0 USER MOD Single : B 153 SER OG : rot -49:sc= 0.406 USER MOD Single : B 156 ASN : amide:sc= -1.45 K(o=-1.5,f=-5.3!) USER MOD Single : B 162 GLN :FLIP amide:sc= -0.483 F(o=-4.1!,f=-0.48) USER MOD Single : B 165 LYS NZ :NH3+ -167:sc= -0.0131 (180deg=-0.17) USER MOD Single : B 169 GLN :FLIP amide:sc= -0.0474 F(o=-1.3!,f=-0.047) USER MOD Single : B 174 SER OG : rot 130:sc= 0.847 USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 8 4.347 11.540 -4.920 1.00 5.53 N ATOM 81 CA SER A 8 3.188 11.489 -4.044 1.00 62.30 C ATOM 82 C SER A 8 2.816 10.042 -3.733 1.00 34.54 C ATOM 83 O SER A 8 2.102 9.387 -4.495 1.00 72.43 O ATOM 84 CB SER A 8 2.017 12.247 -4.675 1.00 41.33 C ATOM 85 OG SER A 8 2.020 12.110 -6.088 1.00 54.34 O ATOM 0 HA SER A 8 3.434 11.976 -3.100 1.00 62.30 H new ATOM 0 HB2 SER A 8 1.077 11.870 -4.272 1.00 41.33 H new ATOM 0 HB3 SER A 8 2.078 13.302 -4.409 1.00 41.33 H new ATOM 0 HG SER A 8 2.927 11.900 -6.394 1.00 54.34 H new ATOM 91 N GLY A 9 3.329 9.550 -2.616 1.00 53.33 N ATOM 92 CA GLY A 9 3.146 8.162 -2.256 1.00 14.13 C ATOM 93 C GLY A 9 4.433 7.559 -1.738 1.00 33.42 C ATOM 94 O GLY A 9 5.353 7.289 -2.509 1.00 4.33 O ATOM 0 H GLY A 9 3.874 10.094 -1.947 1.00 53.33 H new ATOM 0 HA2 GLY A 9 2.370 8.080 -1.495 1.00 14.13 H new ATOM 0 HA3 GLY A 9 2.801 7.600 -3.124 1.00 14.13 H new ATOM 98 N GLU A 10 4.497 7.346 -0.435 1.00 13.50 N ATOM 99 CA GLU A 10 5.711 6.866 0.204 1.00 24.55 C ATOM 100 C GLU A 10 5.423 5.591 0.984 1.00 34.45 C ATOM 101 O GLU A 10 4.920 5.627 2.110 1.00 44.22 O ATOM 102 CB GLU A 10 6.309 7.949 1.108 1.00 41.31 C ATOM 103 CG GLU A 10 5.302 8.612 2.035 1.00 13.12 C ATOM 104 CD GLU A 10 5.924 9.699 2.886 1.00 33.35 C ATOM 105 OE1 GLU A 10 6.434 9.381 3.984 1.00 40.20 O ATOM 106 OE2 GLU A 10 5.912 10.873 2.464 1.00 35.13 O ATOM 0 H GLU A 10 3.718 7.499 0.205 1.00 13.50 H new ATOM 0 HA GLU A 10 6.447 6.634 -0.566 1.00 24.55 H new ATOM 0 HB2 GLU A 10 7.103 7.507 1.709 1.00 41.31 H new ATOM 0 HB3 GLU A 10 6.770 8.714 0.483 1.00 41.31 H new ATOM 0 HG2 GLU A 10 4.493 9.038 1.442 1.00 13.12 H new ATOM 0 HG3 GLU A 10 4.858 7.857 2.684 1.00 13.12 H new ATOM 113 N PRO A 11 5.706 4.440 0.372 1.00 30.11 N ATOM 114 CA PRO A 11 5.450 3.151 0.970 1.00 44.12 C ATOM 115 C PRO A 11 6.593 2.710 1.876 1.00 41.31 C ATOM 116 O PRO A 11 7.586 2.136 1.422 1.00 31.04 O ATOM 117 CB PRO A 11 5.284 2.219 -0.238 1.00 63.13 C ATOM 118 CG PRO A 11 5.734 2.994 -1.444 1.00 21.44 C ATOM 119 CD PRO A 11 6.307 4.297 -0.954 1.00 71.24 C ATOM 0 HA PRO A 11 4.574 3.155 1.619 1.00 44.12 H new ATOM 0 HB2 PRO A 11 5.880 1.315 -0.114 1.00 63.13 H new ATOM 0 HB3 PRO A 11 4.246 1.905 -0.345 1.00 63.13 H new ATOM 0 HG2 PRO A 11 6.482 2.432 -2.004 1.00 21.44 H new ATOM 0 HG3 PRO A 11 4.897 3.173 -2.120 1.00 21.44 H new ATOM 0 HD2 PRO A 11 7.395 4.266 -0.903 1.00 71.24 H new ATOM 0 HD3 PRO A 11 6.042 5.127 -1.609 1.00 71.24 H new ATOM 127 N ASP A 12 6.441 3.015 3.156 1.00 14.14 N ATOM 128 CA ASP A 12 7.432 2.691 4.173 1.00 43.25 C ATOM 129 C ASP A 12 6.827 1.722 5.176 1.00 45.54 C ATOM 130 O ASP A 12 5.605 1.680 5.353 1.00 61.14 O ATOM 131 CB ASP A 12 7.904 3.973 4.877 1.00 30.11 C ATOM 132 CG ASP A 12 8.864 3.715 6.026 1.00 42.12 C ATOM 133 OD1 ASP A 12 10.063 3.468 5.770 1.00 53.14 O ATOM 134 OD2 ASP A 12 8.426 3.768 7.195 1.00 11.21 O ATOM 0 H ASP A 12 5.620 3.498 3.522 1.00 14.14 H new ATOM 0 HA ASP A 12 8.296 2.221 3.703 1.00 43.25 H new ATOM 0 HB2 ASP A 12 8.389 4.621 4.147 1.00 30.11 H new ATOM 0 HB3 ASP A 12 7.035 4.512 5.254 1.00 30.11 H new ATOM 139 N VAL A 13 7.668 0.935 5.817 1.00 42.44 N ATOM 140 CA VAL A 13 7.186 -0.057 6.759 1.00 65.41 C ATOM 141 C VAL A 13 7.735 0.187 8.165 1.00 44.12 C ATOM 142 O VAL A 13 8.938 0.392 8.362 1.00 35.31 O ATOM 143 CB VAL A 13 7.524 -1.493 6.297 1.00 21.52 C ATOM 144 CG1 VAL A 13 9.024 -1.715 6.223 1.00 74.42 C ATOM 145 CG2 VAL A 13 6.880 -2.517 7.214 1.00 34.22 C ATOM 0 H VAL A 13 8.681 0.962 5.705 1.00 42.44 H new ATOM 0 HA VAL A 13 6.101 0.045 6.793 1.00 65.41 H new ATOM 0 HB VAL A 13 7.118 -1.620 5.293 1.00 21.52 H new ATOM 0 HG11 VAL A 13 9.225 -2.735 5.895 1.00 74.42 H new ATOM 0 HG12 VAL A 13 9.461 -1.013 5.513 1.00 74.42 H new ATOM 0 HG13 VAL A 13 9.464 -1.557 7.208 1.00 74.42 H new ATOM 0 HG21 VAL A 13 7.130 -3.521 6.871 1.00 34.22 H new ATOM 0 HG22 VAL A 13 7.249 -2.378 8.230 1.00 34.22 H new ATOM 0 HG23 VAL A 13 5.798 -2.388 7.200 1.00 34.22 H new ATOM 155 N THR A 14 6.833 0.187 9.134 1.00 31.33 N ATOM 156 CA THR A 14 7.197 0.327 10.534 1.00 63.02 C ATOM 157 C THR A 14 7.429 -1.051 11.145 1.00 42.05 C ATOM 158 O THR A 14 6.492 -1.837 11.280 1.00 71.31 O ATOM 159 CB THR A 14 6.087 1.054 11.320 1.00 41.41 C ATOM 160 OG1 THR A 14 5.660 2.211 10.591 1.00 70.54 O ATOM 161 CG2 THR A 14 6.579 1.474 12.697 1.00 45.35 C ATOM 0 H THR A 14 5.831 0.090 8.972 1.00 31.33 H new ATOM 0 HA THR A 14 8.111 0.918 10.593 1.00 63.02 H new ATOM 0 HB THR A 14 5.251 0.367 11.447 1.00 41.41 H new ATOM 0 HG1 THR A 14 4.954 2.671 11.091 1.00 70.54 H new ATOM 0 HG21 THR A 14 5.777 1.984 13.230 1.00 45.35 H new ATOM 0 HG22 THR A 14 6.884 0.591 13.259 1.00 45.35 H new ATOM 0 HG23 THR A 14 7.429 2.148 12.590 1.00 45.35 H new ATOM 169 N ILE A 15 8.671 -1.351 11.491 1.00 5.02 N ATOM 170 CA ILE A 15 9.023 -2.666 12.008 1.00 2.51 C ATOM 171 C ILE A 15 9.296 -2.605 13.507 1.00 0.24 C ATOM 172 O ILE A 15 10.322 -2.075 13.941 1.00 62.31 O ATOM 173 CB ILE A 15 10.261 -3.242 11.286 1.00 1.33 C ATOM 174 CG1 ILE A 15 10.001 -3.351 9.780 1.00 63.54 C ATOM 175 CG2 ILE A 15 10.629 -4.601 11.865 1.00 61.43 C ATOM 176 CD1 ILE A 15 11.174 -3.908 8.996 1.00 24.12 C ATOM 0 H ILE A 15 9.454 -0.701 11.423 1.00 5.02 H new ATOM 0 HA ILE A 15 8.173 -3.322 11.823 1.00 2.51 H new ATOM 0 HB ILE A 15 11.099 -2.563 11.441 1.00 1.33 H new ATOM 0 HG12 ILE A 15 9.131 -3.987 9.616 1.00 63.54 H new ATOM 0 HG13 ILE A 15 9.752 -2.364 9.391 1.00 63.54 H new ATOM 0 HG21 ILE A 15 11.503 -4.993 11.345 1.00 61.43 H new ATOM 0 HG22 ILE A 15 10.855 -4.495 12.926 1.00 61.43 H new ATOM 0 HG23 ILE A 15 9.793 -5.289 11.739 1.00 61.43 H new ATOM 0 HD11 ILE A 15 10.915 -3.955 7.938 1.00 24.12 H new ATOM 0 HD12 ILE A 15 12.041 -3.260 9.129 1.00 24.12 H new ATOM 0 HD13 ILE A 15 11.410 -4.909 9.357 1.00 24.12 H new ATOM 188 N ARG A 16 8.372 -3.141 14.292 1.00 35.14 N ATOM 189 CA ARG A 16 8.525 -3.184 15.742 1.00 61.45 C ATOM 190 C ARG A 16 8.373 -4.611 16.255 1.00 41.12 C ATOM 191 O ARG A 16 7.897 -5.489 15.537 1.00 73.30 O ATOM 192 CB ARG A 16 7.496 -2.279 16.421 1.00 54.35 C ATOM 193 CG ARG A 16 7.681 -0.802 16.117 1.00 52.04 C ATOM 194 CD ARG A 16 6.662 0.041 16.862 1.00 73.22 C ATOM 195 NE ARG A 16 6.807 1.467 16.568 1.00 0.35 N ATOM 196 CZ ARG A 16 5.844 2.373 16.751 1.00 24.15 C ATOM 197 NH1 ARG A 16 4.678 2.013 17.273 1.00 23.23 N ATOM 198 NH2 ARG A 16 6.058 3.643 16.428 1.00 74.21 N ATOM 0 H ARG A 16 7.505 -3.554 13.949 1.00 35.14 H new ATOM 0 HA ARG A 16 9.525 -2.825 15.985 1.00 61.45 H new ATOM 0 HB2 ARG A 16 6.497 -2.582 16.108 1.00 54.35 H new ATOM 0 HB3 ARG A 16 7.551 -2.428 17.499 1.00 54.35 H new ATOM 0 HG2 ARG A 16 8.688 -0.493 16.398 1.00 52.04 H new ATOM 0 HG3 ARG A 16 7.583 -0.633 15.045 1.00 52.04 H new ATOM 0 HD2 ARG A 16 5.657 -0.284 16.593 1.00 73.22 H new ATOM 0 HD3 ARG A 16 6.773 -0.121 17.934 1.00 73.22 H new ATOM 0 HE ARG A 16 7.702 1.790 16.199 1.00 0.35 H new ATOM 0 HH11 ARG A 16 4.515 1.041 17.536 1.00 23.23 H new ATOM 0 HH12 ARG A 16 3.945 2.708 17.411 1.00 23.23 H new ATOM 0 HH21 ARG A 16 6.958 3.926 16.040 1.00 74.21 H new ATOM 0 HH22 ARG A 16 5.322 4.336 16.568 1.00 74.21 H new ATOM 212 N GLN A 17 8.767 -4.837 17.497 1.00 35.13 N ATOM 213 CA GLN A 17 8.684 -6.163 18.091 1.00 41.04 C ATOM 214 C GLN A 17 7.765 -6.155 19.298 1.00 23.54 C ATOM 215 O GLN A 17 8.106 -5.608 20.344 1.00 1.14 O ATOM 216 CB GLN A 17 10.063 -6.673 18.509 1.00 12.45 C ATOM 217 CG GLN A 17 10.981 -7.008 17.347 1.00 72.53 C ATOM 218 CD GLN A 17 12.274 -7.662 17.796 1.00 31.41 C ATOM 219 OE1 GLN A 17 12.314 -8.358 18.811 1.00 21.13 O ATOM 220 NE2 GLN A 17 13.341 -7.443 17.045 1.00 54.32 N ATOM 0 H GLN A 17 9.148 -4.120 18.115 1.00 35.13 H new ATOM 0 HA GLN A 17 8.278 -6.832 17.332 1.00 41.04 H new ATOM 0 HB2 GLN A 17 10.544 -5.918 19.131 1.00 12.45 H new ATOM 0 HB3 GLN A 17 9.937 -7.562 19.126 1.00 12.45 H new ATOM 0 HG2 GLN A 17 10.461 -7.674 16.658 1.00 72.53 H new ATOM 0 HG3 GLN A 17 11.211 -6.096 16.796 1.00 72.53 H new ATOM 0 HE21 GLN A 17 13.267 -6.860 16.211 1.00 54.32 H new ATOM 0 HE22 GLN A 17 14.238 -7.857 17.300 1.00 54.32 H new ATOM 229 N GLU A 18 6.603 -6.764 19.149 1.00 62.51 N ATOM 230 CA GLU A 18 5.642 -6.848 20.233 1.00 4.44 C ATOM 231 C GLU A 18 5.575 -8.275 20.759 1.00 53.01 C ATOM 232 O GLU A 18 4.938 -9.139 20.160 1.00 54.14 O ATOM 233 CB GLU A 18 4.262 -6.393 19.752 1.00 3.34 C ATOM 234 CG GLU A 18 4.196 -4.922 19.372 1.00 14.32 C ATOM 235 CD GLU A 18 4.330 -4.005 20.569 1.00 14.32 C ATOM 236 OE1 GLU A 18 3.329 -3.816 21.290 1.00 72.44 O ATOM 237 OE2 GLU A 18 5.430 -3.466 20.798 1.00 44.32 O ATOM 0 H GLU A 18 6.301 -7.210 18.283 1.00 62.51 H new ATOM 0 HA GLU A 18 5.962 -6.190 21.041 1.00 4.44 H new ATOM 0 HB2 GLU A 18 3.972 -6.994 18.890 1.00 3.34 H new ATOM 0 HB3 GLU A 18 3.532 -6.588 20.537 1.00 3.34 H new ATOM 0 HG2 GLU A 18 4.989 -4.699 18.658 1.00 14.32 H new ATOM 0 HG3 GLU A 18 3.249 -4.722 18.870 1.00 14.32 H new ATOM 244 N GLY A 19 6.261 -8.523 21.862 1.00 34.22 N ATOM 245 CA GLY A 19 6.274 -9.850 22.445 1.00 4.04 C ATOM 246 C GLY A 19 7.070 -10.836 21.613 1.00 42.34 C ATOM 247 O GLY A 19 8.286 -10.694 21.469 1.00 42.40 O ATOM 0 H GLY A 19 6.811 -7.828 22.367 1.00 34.22 H new ATOM 0 HA2 GLY A 19 6.697 -9.800 23.448 1.00 4.04 H new ATOM 0 HA3 GLY A 19 5.250 -10.209 22.549 1.00 4.04 H new ATOM 251 N ASP A 20 6.386 -11.829 21.053 1.00 61.32 N ATOM 252 CA ASP A 20 7.047 -12.857 20.251 1.00 55.31 C ATOM 253 C ASP A 20 6.750 -12.652 18.774 1.00 13.22 C ATOM 254 O ASP A 20 6.993 -13.536 17.955 1.00 30.33 O ATOM 255 CB ASP A 20 6.578 -14.264 20.644 1.00 44.53 C ATOM 256 CG ASP A 20 6.614 -14.517 22.135 1.00 35.22 C ATOM 257 OD1 ASP A 20 7.719 -14.694 22.694 1.00 45.55 O ATOM 258 OD2 ASP A 20 5.532 -14.561 22.753 1.00 21.31 O ATOM 0 H ASP A 20 5.376 -11.945 21.139 1.00 61.32 H new ATOM 0 HA ASP A 20 8.117 -12.768 20.438 1.00 55.31 H new ATOM 0 HB2 ASP A 20 5.561 -14.414 20.282 1.00 44.53 H new ATOM 0 HB3 ASP A 20 7.206 -15.001 20.143 1.00 44.53 H new ATOM 263 N LYS A 21 6.215 -11.491 18.432 1.00 74.21 N ATOM 264 CA LYS A 21 5.816 -11.231 17.060 1.00 71.34 C ATOM 265 C LYS A 21 6.300 -9.869 16.574 1.00 12.53 C ATOM 266 O LYS A 21 6.015 -8.832 17.177 1.00 62.20 O ATOM 267 CB LYS A 21 4.294 -11.363 16.922 1.00 31.31 C ATOM 268 CG LYS A 21 3.506 -10.586 17.964 1.00 42.04 C ATOM 269 CD LYS A 21 2.118 -11.171 18.178 1.00 33.12 C ATOM 270 CE LYS A 21 1.237 -11.012 16.956 1.00 63.52 C ATOM 271 NZ LYS A 21 -0.132 -11.540 17.191 1.00 74.00 N ATOM 0 H LYS A 21 6.048 -10.721 19.079 1.00 74.21 H new ATOM 0 HA LYS A 21 6.291 -11.977 16.423 1.00 71.34 H new ATOM 0 HB2 LYS A 21 3.999 -11.021 15.930 1.00 31.31 H new ATOM 0 HB3 LYS A 21 4.024 -12.417 16.989 1.00 31.31 H new ATOM 0 HG2 LYS A 21 4.051 -10.589 18.908 1.00 42.04 H new ATOM 0 HG3 LYS A 21 3.417 -9.546 17.651 1.00 42.04 H new ATOM 0 HD2 LYS A 21 2.205 -12.229 18.426 1.00 33.12 H new ATOM 0 HD3 LYS A 21 1.646 -10.682 19.030 1.00 33.12 H new ATOM 0 HE2 LYS A 21 1.179 -9.958 16.685 1.00 63.52 H new ATOM 0 HE3 LYS A 21 1.688 -11.534 16.112 1.00 63.52 H new ATOM 0 HZ1 LYS A 21 -0.623 -11.650 16.281 1.00 74.00 H new ATOM 0 HZ2 LYS A 21 -0.071 -12.463 17.666 1.00 74.00 H new ATOM 0 HZ3 LYS A 21 -0.662 -10.876 17.792 1.00 74.00 H new ATOM 285 N THR A 22 7.051 -9.890 15.485 1.00 75.25 N ATOM 286 CA THR A 22 7.529 -8.674 14.853 1.00 73.11 C ATOM 287 C THR A 22 6.445 -8.109 13.941 1.00 61.00 C ATOM 288 O THR A 22 6.057 -8.744 12.967 1.00 21.21 O ATOM 289 CB THR A 22 8.804 -8.954 14.036 1.00 60.24 C ATOM 290 OG1 THR A 22 9.761 -9.645 14.854 1.00 14.14 O ATOM 291 CG2 THR A 22 9.419 -7.663 13.513 1.00 30.35 C ATOM 0 H THR A 22 7.345 -10.747 15.017 1.00 75.25 H new ATOM 0 HA THR A 22 7.767 -7.947 15.629 1.00 73.11 H new ATOM 0 HB THR A 22 8.530 -9.573 13.182 1.00 60.24 H new ATOM 0 HG1 THR A 22 10.570 -9.823 14.331 1.00 14.14 H new ATOM 0 HG21 THR A 22 10.317 -7.894 12.940 1.00 30.35 H new ATOM 0 HG22 THR A 22 8.701 -7.152 12.872 1.00 30.35 H new ATOM 0 HG23 THR A 22 9.679 -7.018 14.352 1.00 30.35 H new ATOM 299 N ILE A 23 5.943 -6.933 14.274 1.00 33.14 N ATOM 300 CA ILE A 23 4.845 -6.336 13.532 1.00 14.44 C ATOM 301 C ILE A 23 5.361 -5.273 12.572 1.00 0.22 C ATOM 302 O ILE A 23 6.001 -4.305 12.989 1.00 21.25 O ATOM 303 CB ILE A 23 3.802 -5.714 14.485 1.00 20.12 C ATOM 304 CG1 ILE A 23 3.280 -6.777 15.456 1.00 34.21 C ATOM 305 CG2 ILE A 23 2.653 -5.097 13.696 1.00 53.13 C ATOM 306 CD1 ILE A 23 2.321 -6.238 16.491 1.00 32.53 C ATOM 0 H ILE A 23 6.279 -6.371 15.056 1.00 33.14 H new ATOM 0 HA ILE A 23 4.364 -7.130 12.960 1.00 14.44 H new ATOM 0 HB ILE A 23 4.282 -4.921 15.059 1.00 20.12 H new ATOM 0 HG12 ILE A 23 2.782 -7.562 14.887 1.00 34.21 H new ATOM 0 HG13 ILE A 23 4.127 -7.239 15.964 1.00 34.21 H new ATOM 0 HG21 ILE A 23 1.929 -4.664 14.386 1.00 53.13 H new ATOM 0 HG22 ILE A 23 3.040 -4.317 13.040 1.00 53.13 H new ATOM 0 HG23 ILE A 23 2.168 -5.868 13.097 1.00 53.13 H new ATOM 0 HD11 ILE A 23 1.995 -7.049 17.142 1.00 32.53 H new ATOM 0 HD12 ILE A 23 2.820 -5.473 17.086 1.00 32.53 H new ATOM 0 HD13 ILE A 23 1.455 -5.802 15.993 1.00 32.53 H new ATOM 318 N GLN A 24 5.102 -5.472 11.288 1.00 54.53 N ATOM 319 CA GLN A 24 5.523 -4.528 10.267 1.00 24.02 C ATOM 320 C GLN A 24 4.316 -3.837 9.640 1.00 24.10 C ATOM 321 O GLN A 24 3.522 -4.467 8.937 1.00 43.23 O ATOM 322 CB GLN A 24 6.324 -5.243 9.181 1.00 2.14 C ATOM 323 CG GLN A 24 7.482 -6.068 9.713 1.00 45.45 C ATOM 324 CD GLN A 24 8.319 -6.684 8.609 1.00 11.14 C ATOM 325 OE1 GLN A 24 8.399 -6.009 7.473 1.00 44.11 O flip ATOM 326 NE2 GLN A 24 8.894 -7.758 8.778 1.00 12.34 N flip ATOM 0 H GLN A 24 4.600 -6.284 10.929 1.00 54.53 H new ATOM 0 HA GLN A 24 6.153 -3.775 10.742 1.00 24.02 H new ATOM 0 HB2 GLN A 24 5.655 -5.894 8.619 1.00 2.14 H new ATOM 0 HB3 GLN A 24 6.710 -4.502 8.481 1.00 2.14 H new ATOM 0 HG2 GLN A 24 8.117 -5.437 10.335 1.00 45.45 H new ATOM 0 HG3 GLN A 24 7.094 -6.860 10.354 1.00 45.45 H new ATOM 0 HE21 GLN A 24 8.808 -8.248 9.668 1.00 12.34 H new ATOM 0 HE22 GLN A 24 9.457 -8.159 8.028 1.00 12.34 H new ATOM 335 N GLU A 25 4.182 -2.546 9.898 1.00 42.23 N ATOM 336 CA GLU A 25 3.077 -1.769 9.351 1.00 51.24 C ATOM 337 C GLU A 25 3.465 -1.174 8.004 1.00 2.30 C ATOM 338 O GLU A 25 4.300 -0.275 7.936 1.00 55.41 O ATOM 339 CB GLU A 25 2.682 -0.642 10.308 1.00 75.24 C ATOM 340 CG GLU A 25 2.485 -1.089 11.745 1.00 64.41 C ATOM 341 CD GLU A 25 1.852 -0.011 12.602 1.00 34.45 C ATOM 342 OE1 GLU A 25 2.482 1.051 12.799 1.00 31.43 O ATOM 343 OE2 GLU A 25 0.711 -0.209 13.061 1.00 1.42 O ATOM 0 H GLU A 25 4.824 -2.012 10.483 1.00 42.23 H new ATOM 0 HA GLU A 25 2.227 -2.438 9.220 1.00 51.24 H new ATOM 0 HB2 GLU A 25 3.452 0.129 10.281 1.00 75.24 H new ATOM 0 HB3 GLU A 25 1.759 -0.184 9.952 1.00 75.24 H new ATOM 0 HG2 GLU A 25 1.857 -1.980 11.763 1.00 64.41 H new ATOM 0 HG3 GLU A 25 3.448 -1.370 12.171 1.00 64.41 H new ATOM 350 N TYR A 26 2.874 -1.682 6.932 1.00 70.45 N ATOM 351 CA TYR A 26 3.138 -1.155 5.600 1.00 12.10 C ATOM 352 C TYR A 26 2.196 0.002 5.291 1.00 64.44 C ATOM 353 O TYR A 26 0.988 -0.194 5.125 1.00 52.24 O ATOM 354 CB TYR A 26 2.989 -2.247 4.537 1.00 64.03 C ATOM 355 CG TYR A 26 4.109 -3.264 4.527 1.00 63.43 C ATOM 356 CD1 TYR A 26 4.084 -4.367 5.372 1.00 62.31 C ATOM 357 CD2 TYR A 26 5.187 -3.124 3.663 1.00 30.42 C ATOM 358 CE1 TYR A 26 5.103 -5.300 5.358 1.00 21.44 C ATOM 359 CE2 TYR A 26 6.211 -4.052 3.643 1.00 74.41 C ATOM 360 CZ TYR A 26 6.165 -5.138 4.491 1.00 44.11 C ATOM 361 OH TYR A 26 7.184 -6.062 4.474 1.00 43.13 O ATOM 0 H TYR A 26 2.210 -2.456 6.958 1.00 70.45 H new ATOM 0 HA TYR A 26 4.166 -0.793 5.580 1.00 12.10 H new ATOM 0 HB2 TYR A 26 2.044 -2.766 4.697 1.00 64.03 H new ATOM 0 HB3 TYR A 26 2.932 -1.777 3.555 1.00 64.03 H new ATOM 0 HD1 TYR A 26 3.254 -4.497 6.051 1.00 62.31 H new ATOM 0 HD2 TYR A 26 5.226 -2.276 2.996 1.00 30.42 H new ATOM 0 HE1 TYR A 26 5.069 -6.151 6.022 1.00 21.44 H new ATOM 0 HE2 TYR A 26 7.043 -3.927 2.966 1.00 74.41 H new ATOM 0 HH TYR A 26 7.615 -6.090 5.354 1.00 43.13 H new ATOM 371 N ARG A 27 2.748 1.203 5.226 1.00 34.30 N ATOM 372 CA ARG A 27 1.966 2.389 4.913 1.00 71.35 C ATOM 373 C ARG A 27 2.460 2.993 3.609 1.00 55.41 C ATOM 374 O ARG A 27 3.658 3.028 3.357 1.00 33.52 O ATOM 375 CB ARG A 27 2.077 3.420 6.036 1.00 10.43 C ATOM 376 CG ARG A 27 1.795 2.856 7.415 1.00 14.35 C ATOM 377 CD ARG A 27 1.837 3.942 8.473 1.00 3.15 C ATOM 378 NE ARG A 27 1.845 3.387 9.829 1.00 4.40 N ATOM 379 CZ ARG A 27 1.402 4.037 10.905 1.00 42.23 C ATOM 380 NH1 ARG A 27 0.918 5.266 10.792 1.00 33.33 N ATOM 381 NH2 ARG A 27 1.455 3.458 12.099 1.00 1.12 N ATOM 0 H ARG A 27 3.739 1.383 5.387 1.00 34.30 H new ATOM 0 HA ARG A 27 0.920 2.102 4.810 1.00 71.35 H new ATOM 0 HB2 ARG A 27 3.080 3.847 6.027 1.00 10.43 H new ATOM 0 HB3 ARG A 27 1.381 4.235 5.838 1.00 10.43 H new ATOM 0 HG2 ARG A 27 0.816 2.377 7.421 1.00 14.35 H new ATOM 0 HG3 ARG A 27 2.529 2.085 7.652 1.00 14.35 H new ATOM 0 HD2 ARG A 27 2.726 4.556 8.327 1.00 3.15 H new ATOM 0 HD3 ARG A 27 0.974 4.597 8.354 1.00 3.15 H new ATOM 0 HE ARG A 27 2.213 2.444 9.958 1.00 4.40 H new ATOM 0 HH11 ARG A 27 0.883 5.718 9.879 1.00 33.33 H new ATOM 0 HH12 ARG A 27 0.580 5.759 11.619 1.00 33.33 H new ATOM 0 HH21 ARG A 27 1.835 2.516 12.193 1.00 1.12 H new ATOM 0 HH22 ARG A 27 1.116 3.955 12.922 1.00 1.12 H new ATOM 395 N VAL A 28 1.544 3.457 2.776 1.00 14.14 N ATOM 396 CA VAL A 28 1.917 4.008 1.479 1.00 21.13 C ATOM 397 C VAL A 28 1.638 5.509 1.421 1.00 15.20 C ATOM 398 O VAL A 28 2.091 6.214 0.517 1.00 33.31 O ATOM 399 CB VAL A 28 1.172 3.284 0.336 1.00 54.13 C ATOM 400 CG1 VAL A 28 -0.330 3.519 0.419 1.00 22.35 C ATOM 401 CG2 VAL A 28 1.712 3.710 -1.014 1.00 12.34 C ATOM 0 H VAL A 28 0.543 3.465 2.970 1.00 14.14 H new ATOM 0 HA VAL A 28 2.988 3.850 1.349 1.00 21.13 H new ATOM 0 HB VAL A 28 1.347 2.214 0.450 1.00 54.13 H new ATOM 0 HG11 VAL A 28 -0.826 2.996 -0.399 1.00 22.35 H new ATOM 0 HG12 VAL A 28 -0.705 3.142 1.371 1.00 22.35 H new ATOM 0 HG13 VAL A 28 -0.536 4.587 0.345 1.00 22.35 H new ATOM 0 HG21 VAL A 28 1.172 3.187 -1.803 1.00 12.34 H new ATOM 0 HG22 VAL A 28 1.581 4.785 -1.136 1.00 12.34 H new ATOM 0 HG23 VAL A 28 2.772 3.465 -1.076 1.00 12.34 H new ATOM 411 N ASN A 29 0.907 5.997 2.404 1.00 14.24 N ATOM 412 CA ASN A 29 0.527 7.399 2.452 1.00 65.31 C ATOM 413 C ASN A 29 -0.014 7.712 3.839 1.00 75.42 C ATOM 414 O ASN A 29 -0.973 8.462 4.002 1.00 54.45 O ATOM 415 CB ASN A 29 -0.524 7.690 1.372 1.00 20.11 C ATOM 416 CG ASN A 29 -0.629 9.165 1.032 1.00 45.22 C ATOM 417 OD1 ASN A 29 -1.427 9.897 1.613 1.00 15.32 O ATOM 418 ND2 ASN A 29 0.175 9.612 0.081 1.00 33.02 N ATOM 0 H ASN A 29 0.561 5.441 3.186 1.00 14.24 H new ATOM 0 HA ASN A 29 1.393 8.032 2.257 1.00 65.31 H new ATOM 0 HB2 ASN A 29 -0.275 7.131 0.470 1.00 20.11 H new ATOM 0 HB3 ASN A 29 -1.495 7.331 1.711 1.00 20.11 H new ATOM 0 HD21 ASN A 29 0.145 10.594 -0.192 1.00 33.02 H new ATOM 0 HD22 ASN A 29 0.825 8.974 -0.379 1.00 33.02 H new ATOM 425 N GLY A 30 0.617 7.115 4.842 1.00 13.54 N ATOM 426 CA GLY A 30 0.139 7.238 6.205 1.00 52.14 C ATOM 427 C GLY A 30 -0.935 6.213 6.521 1.00 72.22 C ATOM 428 O GLY A 30 -1.080 5.777 7.665 1.00 1.14 O ATOM 0 H GLY A 30 1.456 6.545 4.734 1.00 13.54 H new ATOM 0 HA2 GLY A 30 0.974 7.114 6.895 1.00 52.14 H new ATOM 0 HA3 GLY A 30 -0.258 8.241 6.362 1.00 52.14 H new ATOM 432 N PHE A 31 -1.673 5.812 5.494 1.00 31.23 N ATOM 433 CA PHE A 31 -2.778 4.883 5.656 1.00 71.42 C ATOM 434 C PHE A 31 -2.281 3.446 5.546 1.00 45.22 C ATOM 435 O PHE A 31 -1.613 3.074 4.575 1.00 24.45 O ATOM 436 CB PHE A 31 -3.862 5.157 4.607 1.00 23.01 C ATOM 437 CG PHE A 31 -5.214 4.595 4.965 1.00 33.41 C ATOM 438 CD1 PHE A 31 -5.903 5.077 6.067 1.00 34.54 C ATOM 439 CD2 PHE A 31 -5.797 3.592 4.203 1.00 42.11 C ATOM 440 CE1 PHE A 31 -7.145 4.571 6.403 1.00 64.05 C ATOM 441 CE2 PHE A 31 -7.039 3.087 4.535 1.00 22.41 C ATOM 442 CZ PHE A 31 -7.712 3.575 5.634 1.00 33.01 C ATOM 0 H PHE A 31 -1.522 6.120 4.533 1.00 31.23 H new ATOM 0 HA PHE A 31 -3.211 5.025 6.646 1.00 71.42 H new ATOM 0 HB2 PHE A 31 -3.953 6.234 4.465 1.00 23.01 H new ATOM 0 HB3 PHE A 31 -3.545 4.736 3.653 1.00 23.01 H new ATOM 0 HD1 PHE A 31 -5.464 5.858 6.671 1.00 34.54 H new ATOM 0 HD2 PHE A 31 -5.274 3.203 3.342 1.00 42.11 H new ATOM 0 HE1 PHE A 31 -7.670 4.954 7.265 1.00 64.05 H new ATOM 0 HE2 PHE A 31 -7.483 2.309 3.932 1.00 22.41 H new ATOM 0 HZ PHE A 31 -8.682 3.178 5.893 1.00 33.01 H new ATOM 452 N LEU A 32 -2.594 2.662 6.565 1.00 54.05 N ATOM 453 CA LEU A 32 -2.225 1.255 6.616 1.00 71.32 C ATOM 454 C LEU A 32 -3.002 0.468 5.559 1.00 64.23 C ATOM 455 O LEU A 32 -4.210 0.654 5.396 1.00 44.40 O ATOM 456 CB LEU A 32 -2.510 0.717 8.032 1.00 74.13 C ATOM 457 CG LEU A 32 -1.966 -0.682 8.373 1.00 23.21 C ATOM 458 CD1 LEU A 32 -2.811 -1.776 7.740 1.00 74.21 C ATOM 459 CD2 LEU A 32 -0.511 -0.809 7.944 1.00 62.00 C ATOM 0 H LEU A 32 -3.112 2.983 7.383 1.00 54.05 H new ATOM 0 HA LEU A 32 -1.163 1.139 6.400 1.00 71.32 H new ATOM 0 HB2 LEU A 32 -2.099 1.425 8.752 1.00 74.13 H new ATOM 0 HB3 LEU A 32 -3.590 0.705 8.178 1.00 74.13 H new ATOM 0 HG LEU A 32 -2.021 -0.806 9.454 1.00 23.21 H new ATOM 0 HD11 LEU A 32 -2.399 -2.751 8.001 1.00 74.21 H new ATOM 0 HD12 LEU A 32 -3.834 -1.704 8.108 1.00 74.21 H new ATOM 0 HD13 LEU A 32 -2.806 -1.658 6.656 1.00 74.21 H new ATOM 0 HD21 LEU A 32 -0.144 -1.805 8.193 1.00 62.00 H new ATOM 0 HD22 LEU A 32 -0.434 -0.653 6.868 1.00 62.00 H new ATOM 0 HD23 LEU A 32 0.088 -0.061 8.463 1.00 62.00 H new ATOM 471 N TYR A 33 -2.304 -0.393 4.826 1.00 65.51 N ATOM 472 CA TYR A 33 -2.960 -1.251 3.847 1.00 44.11 C ATOM 473 C TYR A 33 -2.574 -2.716 4.036 1.00 11.12 C ATOM 474 O TYR A 33 -3.321 -3.615 3.651 1.00 21.30 O ATOM 475 CB TYR A 33 -2.652 -0.794 2.415 1.00 41.51 C ATOM 476 CG TYR A 33 -1.184 -0.800 2.034 1.00 51.34 C ATOM 477 CD1 TYR A 33 -0.386 0.314 2.258 1.00 34.10 C ATOM 478 CD2 TYR A 33 -0.605 -1.908 1.427 1.00 70.22 C ATOM 479 CE1 TYR A 33 0.944 0.322 1.895 1.00 52.43 C ATOM 480 CE2 TYR A 33 0.727 -1.906 1.057 1.00 15.34 C ATOM 481 CZ TYR A 33 1.496 -0.785 1.295 1.00 70.21 C ATOM 482 OH TYR A 33 2.824 -0.769 0.929 1.00 1.13 O ATOM 0 H TYR A 33 -1.293 -0.515 4.890 1.00 65.51 H new ATOM 0 HA TYR A 33 -4.034 -1.164 4.011 1.00 44.11 H new ATOM 0 HB2 TYR A 33 -3.193 -1.438 1.722 1.00 41.51 H new ATOM 0 HB3 TYR A 33 -3.041 0.216 2.282 1.00 41.51 H new ATOM 0 HD1 TYR A 33 -0.814 1.189 2.724 1.00 34.10 H new ATOM 0 HD2 TYR A 33 -1.206 -2.786 1.241 1.00 70.22 H new ATOM 0 HE1 TYR A 33 1.551 1.196 2.082 1.00 52.43 H new ATOM 0 HE2 TYR A 33 1.162 -2.775 0.585 1.00 15.34 H new ATOM 0 HH TYR A 33 3.061 -1.627 0.519 1.00 1.13 H new ATOM 492 N ALA A 34 -1.415 -2.957 4.633 1.00 14.14 N ATOM 493 CA ALA A 34 -0.952 -4.317 4.862 1.00 23.20 C ATOM 494 C ALA A 34 -0.095 -4.394 6.114 1.00 4.04 C ATOM 495 O ALA A 34 0.705 -3.500 6.386 1.00 33.32 O ATOM 496 CB ALA A 34 -0.172 -4.823 3.657 1.00 31.31 C ATOM 0 H ALA A 34 -0.781 -2.231 4.966 1.00 14.14 H new ATOM 0 HA ALA A 34 -1.826 -4.953 5.006 1.00 23.20 H new ATOM 0 HB1 ALA A 34 0.167 -5.842 3.845 1.00 31.31 H new ATOM 0 HB2 ALA A 34 -0.814 -4.811 2.777 1.00 31.31 H new ATOM 0 HB3 ALA A 34 0.691 -4.179 3.486 1.00 31.31 H new ATOM 502 N ILE A 35 -0.277 -5.454 6.880 1.00 15.04 N ATOM 503 CA ILE A 35 0.508 -5.669 8.084 1.00 63.33 C ATOM 504 C ILE A 35 1.228 -7.008 8.011 1.00 51.24 C ATOM 505 O ILE A 35 0.591 -8.050 7.848 1.00 24.55 O ATOM 506 CB ILE A 35 -0.383 -5.652 9.348 1.00 70.44 C ATOM 507 CG1 ILE A 35 -1.136 -4.324 9.456 1.00 34.24 C ATOM 508 CG2 ILE A 35 0.455 -5.891 10.599 1.00 63.40 C ATOM 509 CD1 ILE A 35 -2.177 -4.298 10.555 1.00 33.45 C ATOM 0 H ILE A 35 -0.964 -6.183 6.689 1.00 15.04 H new ATOM 0 HA ILE A 35 1.232 -4.857 8.151 1.00 63.33 H new ATOM 0 HB ILE A 35 -1.112 -6.458 9.263 1.00 70.44 H new ATOM 0 HG12 ILE A 35 -0.418 -3.523 9.630 1.00 34.24 H new ATOM 0 HG13 ILE A 35 -1.622 -4.114 8.503 1.00 34.24 H new ATOM 0 HG21 ILE A 35 -0.190 -5.875 11.478 1.00 63.40 H new ATOM 0 HG22 ILE A 35 0.947 -6.861 10.527 1.00 63.40 H new ATOM 0 HG23 ILE A 35 1.208 -5.108 10.688 1.00 63.40 H new ATOM 0 HD11 ILE A 35 -2.668 -3.325 10.569 1.00 33.45 H new ATOM 0 HD12 ILE A 35 -2.919 -5.076 10.372 1.00 33.45 H new ATOM 0 HD13 ILE A 35 -1.695 -4.475 11.517 1.00 33.45 H new ATOM 521 N LYS A 36 2.547 -6.991 8.120 1.00 24.43 N ATOM 522 CA LYS A 36 3.297 -8.230 8.169 1.00 61.54 C ATOM 523 C LYS A 36 3.678 -8.531 9.603 1.00 70.14 C ATOM 524 O LYS A 36 4.591 -7.920 10.153 1.00 1.44 O ATOM 525 CB LYS A 36 4.560 -8.173 7.311 1.00 42.11 C ATOM 526 CG LYS A 36 5.312 -9.495 7.293 1.00 63.54 C ATOM 527 CD LYS A 36 6.643 -9.390 6.573 1.00 63.12 C ATOM 528 CE LYS A 36 7.303 -10.753 6.467 1.00 4.44 C ATOM 529 NZ LYS A 36 8.634 -10.682 5.813 1.00 44.11 N ATOM 0 H LYS A 36 3.112 -6.143 8.175 1.00 24.43 H new ATOM 0 HA LYS A 36 2.659 -9.018 7.769 1.00 61.54 H new ATOM 0 HB2 LYS A 36 4.290 -7.898 6.291 1.00 42.11 H new ATOM 0 HB3 LYS A 36 5.217 -7.390 7.689 1.00 42.11 H new ATOM 0 HG2 LYS A 36 5.481 -9.829 8.317 1.00 63.54 H new ATOM 0 HG3 LYS A 36 4.698 -10.253 6.808 1.00 63.54 H new ATOM 0 HD2 LYS A 36 6.492 -8.975 5.577 1.00 63.12 H new ATOM 0 HD3 LYS A 36 7.299 -8.703 7.108 1.00 63.12 H new ATOM 0 HE2 LYS A 36 7.412 -11.180 7.464 1.00 4.44 H new ATOM 0 HE3 LYS A 36 6.657 -11.425 5.901 1.00 4.44 H new ATOM 0 HZ1 LYS A 36 9.047 -11.635 5.762 1.00 44.11 H new ATOM 0 HZ2 LYS A 36 8.529 -10.299 4.852 1.00 44.11 H new ATOM 0 HZ3 LYS A 36 9.260 -10.062 6.366 1.00 44.11 H new ATOM 543 N VAL A 37 2.959 -9.440 10.221 1.00 52.33 N ATOM 544 CA VAL A 37 3.289 -9.852 11.563 1.00 13.40 C ATOM 545 C VAL A 37 4.062 -11.158 11.530 1.00 22.44 C ATOM 546 O VAL A 37 3.633 -12.137 10.919 1.00 64.30 O ATOM 547 CB VAL A 37 2.038 -9.954 12.467 1.00 62.43 C ATOM 548 CG1 VAL A 37 0.904 -10.655 11.750 1.00 63.00 C ATOM 549 CG2 VAL A 37 2.365 -10.656 13.776 1.00 64.35 C ATOM 0 H VAL A 37 2.146 -9.905 9.817 1.00 52.33 H new ATOM 0 HA VAL A 37 3.923 -9.083 12.005 1.00 13.40 H new ATOM 0 HB VAL A 37 1.714 -8.940 12.700 1.00 62.43 H new ATOM 0 HG11 VAL A 37 0.038 -10.713 12.409 1.00 63.00 H new ATOM 0 HG12 VAL A 37 0.641 -10.096 10.852 1.00 63.00 H new ATOM 0 HG13 VAL A 37 1.216 -11.662 11.472 1.00 63.00 H new ATOM 0 HG21 VAL A 37 1.468 -10.714 14.392 1.00 64.35 H new ATOM 0 HG22 VAL A 37 2.728 -11.663 13.568 1.00 64.35 H new ATOM 0 HG23 VAL A 37 3.134 -10.095 14.307 1.00 64.35 H new ATOM 559 N VAL A 38 5.237 -11.131 12.141 1.00 21.41 N ATOM 560 CA VAL A 38 6.105 -12.293 12.224 1.00 23.24 C ATOM 561 C VAL A 38 6.091 -12.850 13.643 1.00 71.12 C ATOM 562 O VAL A 38 6.926 -12.479 14.469 1.00 20.21 O ATOM 563 CB VAL A 38 7.560 -11.937 11.841 1.00 21.44 C ATOM 564 CG1 VAL A 38 8.441 -13.181 11.812 1.00 51.02 C ATOM 565 CG2 VAL A 38 7.601 -11.210 10.506 1.00 14.43 C ATOM 0 H VAL A 38 5.615 -10.299 12.594 1.00 21.41 H new ATOM 0 HA VAL A 38 5.730 -13.038 11.522 1.00 23.24 H new ATOM 0 HB VAL A 38 7.956 -11.268 12.605 1.00 21.44 H new ATOM 0 HG11 VAL A 38 9.458 -12.900 11.540 1.00 51.02 H new ATOM 0 HG12 VAL A 38 8.445 -13.647 12.797 1.00 51.02 H new ATOM 0 HG13 VAL A 38 8.051 -13.886 11.078 1.00 51.02 H new ATOM 0 HG21 VAL A 38 8.634 -10.968 10.255 1.00 14.43 H new ATOM 0 HG22 VAL A 38 7.179 -11.849 9.731 1.00 14.43 H new ATOM 0 HG23 VAL A 38 7.020 -10.290 10.574 1.00 14.43 H new ATOM 575 N PRO A 39 5.110 -13.702 13.965 1.00 64.34 N ATOM 576 CA PRO A 39 4.999 -14.311 15.275 1.00 60.11 C ATOM 577 C PRO A 39 5.726 -15.645 15.358 1.00 62.24 C ATOM 578 O PRO A 39 5.753 -16.413 14.391 1.00 22.13 O ATOM 579 CB PRO A 39 3.491 -14.508 15.415 1.00 52.43 C ATOM 580 CG PRO A 39 3.001 -14.743 14.022 1.00 2.20 C ATOM 581 CD PRO A 39 4.016 -14.134 13.082 1.00 1.13 C ATOM 0 HA PRO A 39 5.448 -13.704 16.061 1.00 60.11 H new ATOM 0 HB2 PRO A 39 3.262 -15.355 16.062 1.00 52.43 H new ATOM 0 HB3 PRO A 39 3.018 -13.631 15.857 1.00 52.43 H new ATOM 0 HG2 PRO A 39 2.889 -15.810 13.828 1.00 2.20 H new ATOM 0 HG3 PRO A 39 2.021 -14.288 13.877 1.00 2.20 H new ATOM 0 HD2 PRO A 39 4.362 -14.859 12.345 1.00 1.13 H new ATOM 0 HD3 PRO A 39 3.594 -13.294 12.530 1.00 1.13 H new ATOM 589 N LYS A 40 6.318 -15.917 16.513 1.00 71.51 N ATOM 590 CA LYS A 40 6.932 -17.211 16.770 1.00 32.32 C ATOM 591 C LYS A 40 5.891 -18.312 16.672 1.00 32.04 C ATOM 592 O LYS A 40 6.206 -19.461 16.366 1.00 62.34 O ATOM 593 CB LYS A 40 7.550 -17.246 18.166 1.00 44.44 C ATOM 594 CG LYS A 40 8.702 -16.289 18.365 1.00 62.10 C ATOM 595 CD LYS A 40 9.332 -16.485 19.731 1.00 2.11 C ATOM 596 CE LYS A 40 10.527 -15.578 19.916 1.00 11.25 C ATOM 597 NZ LYS A 40 11.268 -15.866 21.170 1.00 52.52 N ATOM 0 H LYS A 40 6.386 -15.257 17.288 1.00 71.51 H new ATOM 0 HA LYS A 40 7.711 -17.368 16.024 1.00 32.32 H new ATOM 0 HB2 LYS A 40 6.775 -17.019 18.898 1.00 44.44 H new ATOM 0 HB3 LYS A 40 7.896 -18.259 18.371 1.00 44.44 H new ATOM 0 HG2 LYS A 40 9.450 -16.446 17.588 1.00 62.10 H new ATOM 0 HG3 LYS A 40 8.350 -15.262 18.265 1.00 62.10 H new ATOM 0 HD2 LYS A 40 8.594 -16.282 20.507 1.00 2.11 H new ATOM 0 HD3 LYS A 40 9.639 -17.524 19.847 1.00 2.11 H new ATOM 0 HE2 LYS A 40 11.200 -15.690 19.066 1.00 11.25 H new ATOM 0 HE3 LYS A 40 10.194 -14.540 19.924 1.00 11.25 H new ATOM 0 HZ1 LYS A 40 12.078 -15.218 21.251 1.00 52.52 H new ATOM 0 HZ2 LYS A 40 10.636 -15.734 21.985 1.00 52.52 H new ATOM 0 HZ3 LYS A 40 11.610 -16.848 21.153 1.00 52.52 H new ATOM 611 N HIS A 41 4.646 -17.947 16.939 1.00 4.14 N ATOM 612 CA HIS A 41 3.566 -18.911 17.007 1.00 50.23 C ATOM 613 C HIS A 41 2.514 -18.589 15.951 1.00 44.51 C ATOM 614 O HIS A 41 1.540 -17.881 16.219 1.00 41.24 O ATOM 615 CB HIS A 41 2.952 -18.910 18.414 1.00 31.32 C ATOM 616 CG HIS A 41 3.962 -18.647 19.499 1.00 55.21 C ATOM 617 ND1 HIS A 41 5.053 -19.459 19.736 1.00 35.33 N ATOM 618 CD2 HIS A 41 4.083 -17.609 20.354 1.00 74.43 C ATOM 619 CE1 HIS A 41 5.804 -18.922 20.683 1.00 3.45 C ATOM 620 NE2 HIS A 41 5.235 -17.800 21.075 1.00 53.12 N ATOM 0 H HIS A 41 4.361 -16.983 17.113 1.00 4.14 H new ATOM 0 HA HIS A 41 3.958 -19.908 16.806 1.00 50.23 H new ATOM 0 HB2 HIS A 41 2.170 -18.152 18.462 1.00 31.32 H new ATOM 0 HB3 HIS A 41 2.474 -19.873 18.596 1.00 31.32 H new ATOM 0 HD2 HIS A 41 3.398 -16.780 20.453 1.00 74.43 H new ATOM 0 HE1 HIS A 41 6.725 -19.333 21.069 1.00 3.45 H new ATOM 0 HE2 HIS A 41 5.593 -17.175 21.797 1.00 53.12 H new ATOM 629 N GLY A 42 2.737 -19.086 14.741 1.00 3.31 N ATOM 630 CA GLY A 42 1.854 -18.788 13.631 1.00 45.45 C ATOM 631 C GLY A 42 2.621 -18.534 12.348 1.00 71.01 C ATOM 632 O GLY A 42 2.055 -18.624 11.255 1.00 3.41 O ATOM 0 H GLY A 42 3.521 -19.695 14.508 1.00 3.31 H new ATOM 0 HA2 GLY A 42 1.165 -19.619 13.483 1.00 45.45 H new ATOM 0 HA3 GLY A 42 1.251 -17.913 13.872 1.00 45.45 H new ATOM 636 N LYS A 43 3.918 -18.235 12.497 1.00 30.14 N ATOM 637 CA LYS A 43 4.820 -17.937 11.377 1.00 43.21 C ATOM 638 C LYS A 43 4.492 -16.598 10.709 1.00 35.54 C ATOM 639 O LYS A 43 3.347 -16.147 10.719 1.00 50.24 O ATOM 640 CB LYS A 43 4.822 -19.063 10.338 1.00 54.00 C ATOM 641 CG LYS A 43 5.409 -20.362 10.858 1.00 4.14 C ATOM 642 CD LYS A 43 5.756 -21.305 9.720 1.00 61.32 C ATOM 643 CE LYS A 43 6.835 -20.713 8.826 1.00 22.24 C ATOM 644 NZ LYS A 43 7.303 -21.677 7.796 1.00 22.44 N ATOM 0 H LYS A 43 4.375 -18.193 13.408 1.00 30.14 H new ATOM 0 HA LYS A 43 5.821 -17.860 11.802 1.00 43.21 H new ATOM 0 HB2 LYS A 43 3.800 -19.242 10.006 1.00 54.00 H new ATOM 0 HB3 LYS A 43 5.389 -18.741 9.465 1.00 54.00 H new ATOM 0 HG2 LYS A 43 6.304 -20.151 11.444 1.00 4.14 H new ATOM 0 HG3 LYS A 43 4.696 -20.843 11.528 1.00 4.14 H new ATOM 0 HD2 LYS A 43 6.097 -22.258 10.125 1.00 61.32 H new ATOM 0 HD3 LYS A 43 4.863 -21.511 9.130 1.00 61.32 H new ATOM 0 HE2 LYS A 43 6.448 -19.820 8.336 1.00 22.24 H new ATOM 0 HE3 LYS A 43 7.680 -20.400 9.439 1.00 22.24 H new ATOM 0 HZ1 LYS A 43 8.037 -21.230 7.211 1.00 22.44 H new ATOM 0 HZ2 LYS A 43 7.697 -22.519 8.262 1.00 22.44 H new ATOM 0 HZ3 LYS A 43 6.503 -21.957 7.194 1.00 22.44 H new ATOM 658 N PRO A 44 5.515 -15.937 10.132 1.00 51.10 N ATOM 659 CA PRO A 44 5.350 -14.642 9.463 1.00 34.10 C ATOM 660 C PRO A 44 4.369 -14.708 8.302 1.00 31.24 C ATOM 661 O PRO A 44 4.536 -15.502 7.372 1.00 22.14 O ATOM 662 CB PRO A 44 6.755 -14.301 8.948 1.00 74.15 C ATOM 663 CG PRO A 44 7.519 -15.579 8.988 1.00 65.41 C ATOM 664 CD PRO A 44 6.913 -16.398 10.093 1.00 73.02 C ATOM 0 HA PRO A 44 4.943 -13.895 10.145 1.00 34.10 H new ATOM 0 HB2 PRO A 44 6.714 -13.900 7.935 1.00 74.15 H new ATOM 0 HB3 PRO A 44 7.228 -13.542 9.572 1.00 74.15 H new ATOM 0 HG2 PRO A 44 7.452 -16.102 8.034 1.00 65.41 H new ATOM 0 HG3 PRO A 44 8.577 -15.394 9.176 1.00 65.41 H new ATOM 0 HD2 PRO A 44 6.978 -17.466 9.884 1.00 73.02 H new ATOM 0 HD3 PRO A 44 7.419 -16.228 11.043 1.00 73.02 H new ATOM 672 N TYR A 45 3.350 -13.869 8.360 1.00 74.14 N ATOM 673 CA TYR A 45 2.346 -13.821 7.313 1.00 24.22 C ATOM 674 C TYR A 45 1.910 -12.385 7.067 1.00 51.13 C ATOM 675 O TYR A 45 1.966 -11.544 7.967 1.00 51.14 O ATOM 676 CB TYR A 45 1.131 -14.685 7.685 1.00 65.03 C ATOM 677 CG TYR A 45 0.323 -14.158 8.855 1.00 52.12 C ATOM 678 CD1 TYR A 45 0.808 -14.234 10.154 1.00 44.41 C ATOM 679 CD2 TYR A 45 -0.927 -13.579 8.656 1.00 3.14 C ATOM 680 CE1 TYR A 45 0.076 -13.753 11.220 1.00 62.33 C ATOM 681 CE2 TYR A 45 -1.668 -13.097 9.719 1.00 3.14 C ATOM 682 CZ TYR A 45 -1.161 -13.184 10.998 1.00 10.54 C ATOM 683 OH TYR A 45 -1.899 -12.711 12.062 1.00 52.41 O ATOM 0 H TYR A 45 3.196 -13.210 9.123 1.00 74.14 H new ATOM 0 HA TYR A 45 2.786 -14.219 6.399 1.00 24.22 H new ATOM 0 HB2 TYR A 45 0.478 -14.766 6.816 1.00 65.03 H new ATOM 0 HB3 TYR A 45 1.475 -15.692 7.921 1.00 65.03 H new ATOM 0 HD1 TYR A 45 1.776 -14.678 10.333 1.00 44.41 H new ATOM 0 HD2 TYR A 45 -1.325 -13.505 7.655 1.00 3.14 H new ATOM 0 HE1 TYR A 45 0.469 -13.822 12.223 1.00 62.33 H new ATOM 0 HE2 TYR A 45 -2.638 -12.655 9.548 1.00 3.14 H new ATOM 0 HH TYR A 45 -2.745 -12.340 11.734 1.00 52.41 H new ATOM 693 N PHE A 46 1.498 -12.102 5.842 1.00 35.34 N ATOM 694 CA PHE A 46 0.977 -10.789 5.502 1.00 15.14 C ATOM 695 C PHE A 46 -0.530 -10.759 5.706 1.00 61.23 C ATOM 696 O PHE A 46 -1.255 -11.606 5.177 1.00 33.11 O ATOM 697 CB PHE A 46 1.310 -10.432 4.050 1.00 72.30 C ATOM 698 CG PHE A 46 2.771 -10.181 3.795 1.00 22.21 C ATOM 699 CD1 PHE A 46 3.654 -11.236 3.627 1.00 2.33 C ATOM 700 CD2 PHE A 46 3.258 -8.885 3.711 1.00 25.13 C ATOM 701 CE1 PHE A 46 4.994 -11.004 3.381 1.00 14.23 C ATOM 702 CE2 PHE A 46 4.596 -8.647 3.468 1.00 1.15 C ATOM 703 CZ PHE A 46 5.466 -9.708 3.302 1.00 23.03 C ATOM 0 H PHE A 46 1.514 -12.764 5.067 1.00 35.34 H new ATOM 0 HA PHE A 46 1.445 -10.054 6.157 1.00 15.14 H new ATOM 0 HB2 PHE A 46 0.974 -11.242 3.403 1.00 72.30 H new ATOM 0 HB3 PHE A 46 0.746 -9.543 3.768 1.00 72.30 H new ATOM 0 HD1 PHE A 46 3.291 -12.251 3.689 1.00 2.33 H new ATOM 0 HD2 PHE A 46 2.582 -8.052 3.837 1.00 25.13 H new ATOM 0 HE1 PHE A 46 5.671 -11.835 3.251 1.00 14.23 H new ATOM 0 HE2 PHE A 46 4.962 -7.633 3.408 1.00 1.15 H new ATOM 0 HZ PHE A 46 6.513 -9.524 3.111 1.00 23.03 H new ATOM 713 N LEU A 47 -0.991 -9.810 6.499 1.00 23.23 N ATOM 714 CA LEU A 47 -2.413 -9.599 6.683 1.00 73.40 C ATOM 715 C LEU A 47 -2.828 -8.375 5.871 1.00 2.35 C ATOM 716 O LEU A 47 -2.576 -7.237 6.271 1.00 53.40 O ATOM 717 CB LEU A 47 -2.743 -9.410 8.169 1.00 5.14 C ATOM 718 CG LEU A 47 -4.222 -9.550 8.526 1.00 62.52 C ATOM 719 CD1 LEU A 47 -4.721 -10.948 8.192 1.00 73.01 C ATOM 720 CD2 LEU A 47 -4.448 -9.232 9.998 1.00 41.43 C ATOM 0 H LEU A 47 -0.398 -9.171 7.028 1.00 23.23 H new ATOM 0 HA LEU A 47 -2.966 -10.472 6.336 1.00 73.40 H new ATOM 0 HB2 LEU A 47 -2.175 -10.139 8.747 1.00 5.14 H new ATOM 0 HB3 LEU A 47 -2.402 -8.422 8.478 1.00 5.14 H new ATOM 0 HG LEU A 47 -4.791 -8.835 7.932 1.00 62.52 H new ATOM 0 HD11 LEU A 47 -5.776 -11.030 8.453 1.00 73.01 H new ATOM 0 HD12 LEU A 47 -4.595 -11.134 7.125 1.00 73.01 H new ATOM 0 HD13 LEU A 47 -4.149 -11.683 8.758 1.00 73.01 H new ATOM 0 HD21 LEU A 47 -5.507 -9.337 10.234 1.00 41.43 H new ATOM 0 HD22 LEU A 47 -3.869 -9.922 10.612 1.00 41.43 H new ATOM 0 HD23 LEU A 47 -4.130 -8.210 10.202 1.00 41.43 H new ATOM 732 N VAL A 48 -3.419 -8.621 4.712 1.00 32.01 N ATOM 733 CA VAL A 48 -3.744 -7.554 3.776 1.00 70.12 C ATOM 734 C VAL A 48 -5.145 -7.013 4.029 1.00 64.22 C ATOM 735 O VAL A 48 -6.098 -7.774 4.179 1.00 3.11 O ATOM 736 CB VAL A 48 -3.640 -8.047 2.315 1.00 63.40 C ATOM 737 CG1 VAL A 48 -3.863 -6.902 1.334 1.00 3.14 C ATOM 738 CG2 VAL A 48 -2.291 -8.708 2.070 1.00 63.51 C ATOM 0 H VAL A 48 -3.685 -9.554 4.396 1.00 32.01 H new ATOM 0 HA VAL A 48 -3.021 -6.754 3.933 1.00 70.12 H new ATOM 0 HB VAL A 48 -4.423 -8.787 2.151 1.00 63.40 H new ATOM 0 HG11 VAL A 48 -3.784 -7.277 0.313 1.00 3.14 H new ATOM 0 HG12 VAL A 48 -4.855 -6.478 1.489 1.00 3.14 H new ATOM 0 HG13 VAL A 48 -3.109 -6.131 1.497 1.00 3.14 H new ATOM 0 HG21 VAL A 48 -2.235 -9.049 1.036 1.00 63.51 H new ATOM 0 HG22 VAL A 48 -1.494 -7.989 2.258 1.00 63.51 H new ATOM 0 HG23 VAL A 48 -2.176 -9.560 2.740 1.00 63.51 H new ATOM 748 N ARG A 49 -5.257 -5.700 4.084 1.00 14.10 N ATOM 749 CA ARG A 49 -6.536 -5.048 4.294 1.00 52.34 C ATOM 750 C ARG A 49 -7.234 -4.871 2.945 1.00 2.14 C ATOM 751 O ARG A 49 -6.702 -4.220 2.044 1.00 73.52 O ATOM 752 CB ARG A 49 -6.299 -3.705 4.992 1.00 12.11 C ATOM 753 CG ARG A 49 -7.532 -3.065 5.622 1.00 41.10 C ATOM 754 CD ARG A 49 -8.471 -2.463 4.589 1.00 23.21 C ATOM 755 NE ARG A 49 -7.748 -1.798 3.499 1.00 31.33 N ATOM 756 CZ ARG A 49 -6.977 -0.719 3.640 1.00 65.13 C ATOM 757 NH1 ARG A 49 -6.863 -0.123 4.823 1.00 3.23 N ATOM 758 NH2 ARG A 49 -6.324 -0.231 2.592 1.00 54.14 N ATOM 0 H ARG A 49 -4.470 -5.058 3.985 1.00 14.10 H new ATOM 0 HA ARG A 49 -7.182 -5.653 4.930 1.00 52.34 H new ATOM 0 HB2 ARG A 49 -5.548 -3.847 5.769 1.00 12.11 H new ATOM 0 HB3 ARG A 49 -5.880 -3.008 4.267 1.00 12.11 H new ATOM 0 HG2 ARG A 49 -8.069 -3.815 6.203 1.00 41.10 H new ATOM 0 HG3 ARG A 49 -7.218 -2.288 6.318 1.00 41.10 H new ATOM 0 HD2 ARG A 49 -9.104 -3.248 4.176 1.00 23.21 H new ATOM 0 HD3 ARG A 49 -9.131 -1.745 5.076 1.00 23.21 H new ATOM 0 HE ARG A 49 -7.842 -2.191 2.562 1.00 31.33 H new ATOM 0 HH11 ARG A 49 -7.367 -0.491 5.630 1.00 3.23 H new ATOM 0 HH12 ARG A 49 -6.272 0.702 4.924 1.00 3.23 H new ATOM 0 HH21 ARG A 49 -6.413 -0.681 1.681 1.00 54.14 H new ATOM 0 HH22 ARG A 49 -5.734 0.594 2.698 1.00 54.14 H new ATOM 772 N ALA A 50 -8.426 -5.444 2.818 1.00 13.53 N ATOM 773 CA ALA A 50 -9.139 -5.470 1.542 1.00 13.14 C ATOM 774 C ALA A 50 -9.764 -4.116 1.221 1.00 32.21 C ATOM 775 O ALA A 50 -9.718 -3.191 2.030 1.00 44.02 O ATOM 776 CB ALA A 50 -10.205 -6.554 1.567 1.00 32.14 C ATOM 0 H ALA A 50 -8.922 -5.899 3.585 1.00 13.53 H new ATOM 0 HA ALA A 50 -8.418 -5.693 0.756 1.00 13.14 H new ATOM 0 HB1 ALA A 50 -10.732 -6.568 0.613 1.00 32.14 H new ATOM 0 HB2 ALA A 50 -9.735 -7.523 1.736 1.00 32.14 H new ATOM 0 HB3 ALA A 50 -10.913 -6.350 2.370 1.00 32.14 H new ATOM 782 N ASP A 51 -10.343 -4.003 0.034 1.00 75.11 N ATOM 783 CA ASP A 51 -10.973 -2.761 -0.392 1.00 11.51 C ATOM 784 C ASP A 51 -12.229 -2.497 0.423 1.00 70.11 C ATOM 785 O ASP A 51 -13.030 -3.406 0.666 1.00 11.32 O ATOM 786 CB ASP A 51 -11.321 -2.810 -1.885 1.00 53.12 C ATOM 787 CG ASP A 51 -12.303 -3.916 -2.225 1.00 41.31 C ATOM 788 OD1 ASP A 51 -11.873 -5.085 -2.341 1.00 22.32 O ATOM 789 OD2 ASP A 51 -13.508 -3.619 -2.381 1.00 34.30 O ATOM 0 H ASP A 51 -10.390 -4.757 -0.652 1.00 75.11 H new ATOM 0 HA ASP A 51 -10.265 -1.949 -0.227 1.00 11.51 H new ATOM 0 HB2 ASP A 51 -11.742 -1.851 -2.187 1.00 53.12 H new ATOM 0 HB3 ASP A 51 -10.407 -2.952 -2.462 1.00 53.12 H new ATOM 794 N GLY A 52 -12.391 -1.258 0.858 1.00 45.40 N ATOM 795 CA GLY A 52 -13.552 -0.902 1.618 1.00 32.31 C ATOM 796 C GLY A 52 -13.303 -0.983 3.103 1.00 22.02 C ATOM 797 O GLY A 52 -12.551 -1.835 3.580 1.00 4.24 O ATOM 0 H GLY A 52 -11.733 -0.496 0.694 1.00 45.40 H new ATOM 0 HA2 GLY A 52 -13.860 0.111 1.357 1.00 32.31 H new ATOM 0 HA3 GLY A 52 -14.376 -1.564 1.352 1.00 32.31 H new ATOM 801 N SER A 53 -13.939 -0.097 3.832 1.00 25.03 N ATOM 802 CA SER A 53 -13.883 -0.101 5.287 1.00 62.33 C ATOM 803 C SER A 53 -14.860 -1.143 5.843 1.00 71.23 C ATOM 804 O SER A 53 -15.359 -1.023 6.965 1.00 35.31 O ATOM 805 CB SER A 53 -14.214 1.295 5.825 1.00 63.02 C ATOM 806 OG SER A 53 -14.049 1.356 7.230 1.00 23.33 O ATOM 0 H SER A 53 -14.512 0.650 3.440 1.00 25.03 H new ATOM 0 HA SER A 53 -12.876 -0.365 5.609 1.00 62.33 H new ATOM 0 HB2 SER A 53 -13.569 2.033 5.348 1.00 63.02 H new ATOM 0 HB3 SER A 53 -15.241 1.553 5.565 1.00 63.02 H new ATOM 0 HG SER A 53 -14.443 0.558 7.641 1.00 23.33 H new ATOM 812 N ASP A 54 -15.092 -2.181 5.047 1.00 61.45 N ATOM 813 CA ASP A 54 -16.028 -3.245 5.382 1.00 33.31 C ATOM 814 C ASP A 54 -15.575 -4.010 6.619 1.00 63.25 C ATOM 815 O ASP A 54 -16.396 -4.496 7.397 1.00 62.11 O ATOM 816 CB ASP A 54 -16.164 -4.197 4.194 1.00 41.52 C ATOM 817 CG ASP A 54 -17.094 -5.356 4.475 1.00 43.33 C ATOM 818 OD1 ASP A 54 -18.325 -5.146 4.469 1.00 64.15 O ATOM 819 OD2 ASP A 54 -16.597 -6.482 4.692 1.00 50.35 O ATOM 0 H ASP A 54 -14.632 -2.308 4.145 1.00 61.45 H new ATOM 0 HA ASP A 54 -16.996 -2.796 5.604 1.00 33.31 H new ATOM 0 HB2 ASP A 54 -16.532 -3.643 3.331 1.00 41.52 H new ATOM 0 HB3 ASP A 54 -15.180 -4.583 3.929 1.00 41.52 H new ATOM 824 N GLY A 55 -14.265 -4.117 6.794 1.00 23.22 N ATOM 825 CA GLY A 55 -13.734 -4.777 7.968 1.00 34.42 C ATOM 826 C GLY A 55 -13.347 -6.219 7.716 1.00 63.32 C ATOM 827 O GLY A 55 -13.536 -7.080 8.576 1.00 10.24 O ATOM 0 H GLY A 55 -13.563 -3.760 6.146 1.00 23.22 H new ATOM 0 HA2 GLY A 55 -12.860 -4.229 8.321 1.00 34.42 H new ATOM 0 HA3 GLY A 55 -14.477 -4.741 8.765 1.00 34.42 H new ATOM 831 N ASN A 56 -12.803 -6.490 6.540 1.00 32.32 N ATOM 832 CA ASN A 56 -12.325 -7.826 6.225 1.00 71.43 C ATOM 833 C ASN A 56 -10.875 -7.767 5.768 1.00 52.54 C ATOM 834 O ASN A 56 -10.468 -6.842 5.056 1.00 42.14 O ATOM 835 CB ASN A 56 -13.206 -8.510 5.164 1.00 74.11 C ATOM 836 CG ASN A 56 -13.116 -7.880 3.788 1.00 63.40 C ATOM 837 OD1 ASN A 56 -12.278 -8.262 2.976 1.00 24.32 O ATOM 838 ND2 ASN A 56 -14.005 -6.943 3.496 1.00 12.22 N ATOM 0 H ASN A 56 -12.682 -5.807 5.792 1.00 32.32 H new ATOM 0 HA ASN A 56 -12.386 -8.428 7.131 1.00 71.43 H new ATOM 0 HB2 ASN A 56 -12.920 -9.559 5.091 1.00 74.11 H new ATOM 0 HB3 ASN A 56 -14.244 -8.484 5.497 1.00 74.11 H new ATOM 0 HD21 ASN A 56 -14.008 -6.514 2.571 1.00 12.22 H new ATOM 0 HD22 ASN A 56 -14.687 -6.651 4.196 1.00 12.22 H new ATOM 845 N PHE A 57 -10.093 -8.732 6.217 1.00 24.52 N ATOM 846 CA PHE A 57 -8.689 -8.818 5.853 1.00 33.10 C ATOM 847 C PHE A 57 -8.432 -10.105 5.088 1.00 60.24 C ATOM 848 O PHE A 57 -9.176 -11.075 5.224 1.00 23.14 O ATOM 849 CB PHE A 57 -7.793 -8.771 7.097 1.00 51.21 C ATOM 850 CG PHE A 57 -7.636 -7.399 7.697 1.00 55.31 C ATOM 851 CD1 PHE A 57 -8.705 -6.758 8.305 1.00 30.21 C ATOM 852 CD2 PHE A 57 -6.411 -6.752 7.654 1.00 35.12 C ATOM 853 CE1 PHE A 57 -8.555 -5.501 8.856 1.00 33.54 C ATOM 854 CE2 PHE A 57 -6.256 -5.494 8.205 1.00 62.24 C ATOM 855 CZ PHE A 57 -7.330 -4.868 8.808 1.00 54.43 C ATOM 0 H PHE A 57 -10.410 -9.474 6.841 1.00 24.52 H new ATOM 0 HA PHE A 57 -8.448 -7.962 5.222 1.00 33.10 H new ATOM 0 HB2 PHE A 57 -8.205 -9.440 7.852 1.00 51.21 H new ATOM 0 HB3 PHE A 57 -6.807 -9.155 6.835 1.00 51.21 H new ATOM 0 HD1 PHE A 57 -9.666 -7.248 8.348 1.00 30.21 H new ATOM 0 HD2 PHE A 57 -5.568 -7.237 7.184 1.00 35.12 H new ATOM 0 HE1 PHE A 57 -9.397 -5.013 9.325 1.00 33.54 H new ATOM 0 HE2 PHE A 57 -5.296 -5.001 8.164 1.00 62.24 H new ATOM 0 HZ PHE A 57 -7.211 -3.886 9.241 1.00 54.43 H new ATOM 865 N ILE A 58 -7.392 -10.101 4.277 1.00 3.23 N ATOM 866 CA ILE A 58 -7.002 -11.283 3.531 1.00 31.35 C ATOM 867 C ILE A 58 -5.649 -11.777 4.023 1.00 54.34 C ATOM 868 O ILE A 58 -4.643 -11.073 3.926 1.00 12.01 O ATOM 869 CB ILE A 58 -6.935 -11.011 2.011 1.00 61.14 C ATOM 870 CG1 ILE A 58 -8.259 -10.422 1.509 1.00 64.12 C ATOM 871 CG2 ILE A 58 -6.599 -12.290 1.252 1.00 34.11 C ATOM 872 CD1 ILE A 58 -9.465 -11.313 1.742 1.00 50.00 C ATOM 0 H ILE A 58 -6.798 -9.287 4.117 1.00 3.23 H new ATOM 0 HA ILE A 58 -7.762 -12.046 3.698 1.00 31.35 H new ATOM 0 HB ILE A 58 -6.144 -10.284 1.828 1.00 61.14 H new ATOM 0 HG12 ILE A 58 -8.428 -9.465 2.002 1.00 64.12 H new ATOM 0 HG13 ILE A 58 -8.172 -10.219 0.442 1.00 64.12 H new ATOM 0 HG21 ILE A 58 -6.556 -12.078 0.184 1.00 34.11 H new ATOM 0 HG22 ILE A 58 -5.633 -12.668 1.586 1.00 34.11 H new ATOM 0 HG23 ILE A 58 -7.367 -13.039 1.443 1.00 34.11 H new ATOM 0 HD11 ILE A 58 -10.359 -10.822 1.358 1.00 50.00 H new ATOM 0 HD12 ILE A 58 -9.322 -12.262 1.225 1.00 50.00 H new ATOM 0 HD13 ILE A 58 -9.582 -11.496 2.810 1.00 50.00 H new ATOM 884 N ARG A 59 -5.634 -12.976 4.577 1.00 41.32 N ATOM 885 CA ARG A 59 -4.413 -13.552 5.110 1.00 30.32 C ATOM 886 C ARG A 59 -3.623 -14.212 3.992 1.00 33.31 C ATOM 887 O ARG A 59 -4.135 -15.086 3.299 1.00 32.25 O ATOM 888 CB ARG A 59 -4.749 -14.570 6.205 1.00 24.31 C ATOM 889 CG ARG A 59 -3.542 -15.134 6.940 1.00 75.24 C ATOM 890 CD ARG A 59 -3.976 -16.010 8.107 1.00 31.41 C ATOM 891 NE ARG A 59 -2.848 -16.669 8.767 1.00 42.01 N ATOM 892 CZ ARG A 59 -2.853 -17.060 10.044 1.00 54.13 C ATOM 893 NH1 ARG A 59 -3.886 -16.778 10.832 1.00 60.40 N ATOM 894 NH2 ARG A 59 -1.804 -17.710 10.534 1.00 3.00 N ATOM 0 H ARG A 59 -6.457 -13.571 4.670 1.00 41.32 H new ATOM 0 HA ARG A 59 -3.804 -12.761 5.548 1.00 30.32 H new ATOM 0 HB2 ARG A 59 -5.411 -14.098 6.931 1.00 24.31 H new ATOM 0 HB3 ARG A 59 -5.303 -15.395 5.758 1.00 24.31 H new ATOM 0 HG2 ARG A 59 -2.931 -15.717 6.250 1.00 75.24 H new ATOM 0 HG3 ARG A 59 -2.919 -14.317 7.305 1.00 75.24 H new ATOM 0 HD2 ARG A 59 -4.512 -15.400 8.834 1.00 31.41 H new ATOM 0 HD3 ARG A 59 -4.675 -16.766 7.749 1.00 31.41 H new ATOM 0 HE ARG A 59 -2.006 -16.840 8.218 1.00 42.01 H new ATOM 0 HH11 ARG A 59 -4.683 -16.259 10.462 1.00 60.40 H new ATOM 0 HH12 ARG A 59 -3.882 -17.080 11.806 1.00 60.40 H new ATOM 0 HH21 ARG A 59 -1.002 -17.908 9.936 1.00 3.00 H new ATOM 0 HH22 ARG A 59 -1.801 -18.012 11.508 1.00 3.00 H new ATOM 908 N SER A 60 -2.373 -13.796 3.829 1.00 11.44 N ATOM 909 CA SER A 60 -1.514 -14.309 2.763 1.00 61.13 C ATOM 910 C SER A 60 -1.241 -15.808 2.930 1.00 31.32 C ATOM 911 O SER A 60 -0.659 -16.443 2.058 1.00 50.41 O ATOM 912 CB SER A 60 -0.197 -13.533 2.731 1.00 51.23 C ATOM 913 OG SER A 60 0.616 -13.932 1.641 1.00 34.13 O ATOM 0 H SER A 60 -1.927 -13.099 4.425 1.00 11.44 H new ATOM 0 HA SER A 60 -2.037 -14.171 1.817 1.00 61.13 H new ATOM 0 HB2 SER A 60 -0.405 -12.465 2.659 1.00 51.23 H new ATOM 0 HB3 SER A 60 0.342 -13.691 3.665 1.00 51.23 H new ATOM 0 HG SER A 60 0.182 -14.669 1.162 1.00 34.13 H new ATOM 919 N ASP A 61 -1.655 -16.362 4.057 1.00 14.23 N ATOM 920 CA ASP A 61 -1.538 -17.793 4.289 1.00 71.53 C ATOM 921 C ASP A 61 -2.515 -18.542 3.387 1.00 41.34 C ATOM 922 O ASP A 61 -2.206 -19.613 2.860 1.00 51.55 O ATOM 923 CB ASP A 61 -1.824 -18.112 5.758 1.00 52.14 C ATOM 924 CG ASP A 61 -1.637 -19.577 6.087 1.00 54.10 C ATOM 925 OD1 ASP A 61 -2.592 -20.358 5.907 1.00 40.32 O ATOM 926 OD2 ASP A 61 -0.534 -19.950 6.537 1.00 11.24 O ATOM 0 H ASP A 61 -2.076 -15.842 4.827 1.00 14.23 H new ATOM 0 HA ASP A 61 -0.522 -18.112 4.055 1.00 71.53 H new ATOM 0 HB2 ASP A 61 -1.165 -17.516 6.389 1.00 52.14 H new ATOM 0 HB3 ASP A 61 -2.846 -17.818 5.996 1.00 52.14 H new ATOM 931 N GLN A 62 -3.682 -17.938 3.180 1.00 35.23 N ATOM 932 CA GLN A 62 -4.744 -18.536 2.392 1.00 54.30 C ATOM 933 C GLN A 62 -5.699 -17.447 1.910 1.00 0.13 C ATOM 934 O GLN A 62 -6.667 -17.110 2.593 1.00 53.23 O ATOM 935 CB GLN A 62 -5.510 -19.582 3.207 1.00 45.23 C ATOM 936 CG GLN A 62 -6.628 -20.261 2.431 1.00 24.30 C ATOM 937 CD GLN A 62 -7.428 -21.236 3.274 1.00 23.32 C ATOM 938 OE1 GLN A 62 -7.530 -20.964 4.566 1.00 12.50 O flip ATOM 939 NE2 GLN A 62 -7.956 -22.227 2.766 1.00 2.25 N flip ATOM 0 H GLN A 62 -3.914 -17.019 3.557 1.00 35.23 H new ATOM 0 HA GLN A 62 -4.298 -19.037 1.533 1.00 54.30 H new ATOM 0 HB2 GLN A 62 -4.810 -20.341 3.558 1.00 45.23 H new ATOM 0 HB3 GLN A 62 -5.931 -19.104 4.091 1.00 45.23 H new ATOM 0 HG2 GLN A 62 -7.298 -19.501 2.030 1.00 24.30 H new ATOM 0 HG3 GLN A 62 -6.202 -20.791 1.579 1.00 24.30 H new ATOM 0 HE21 GLN A 62 -7.855 -22.403 1.766 1.00 2.25 H new ATOM 0 HE22 GLN A 62 -8.494 -22.871 3.345 1.00 2.25 H new ATOM 948 N PRO A 63 -5.405 -16.861 0.737 1.00 24.42 N ATOM 949 CA PRO A 63 -6.237 -15.812 0.126 1.00 42.11 C ATOM 950 C PRO A 63 -7.668 -16.275 -0.140 1.00 64.42 C ATOM 951 O PRO A 63 -8.565 -15.461 -0.365 1.00 62.11 O ATOM 952 CB PRO A 63 -5.533 -15.509 -1.201 1.00 14.14 C ATOM 953 CG PRO A 63 -4.140 -16.012 -1.035 1.00 50.41 C ATOM 954 CD PRO A 63 -4.214 -17.161 -0.070 1.00 22.25 C ATOM 0 HA PRO A 63 -6.330 -14.949 0.785 1.00 42.11 H new ATOM 0 HB2 PRO A 63 -6.033 -16.005 -2.033 1.00 14.14 H new ATOM 0 HB3 PRO A 63 -5.542 -14.440 -1.415 1.00 14.14 H new ATOM 0 HG2 PRO A 63 -3.727 -16.334 -1.991 1.00 50.41 H new ATOM 0 HG3 PRO A 63 -3.487 -15.227 -0.654 1.00 50.41 H new ATOM 0 HD2 PRO A 63 -4.312 -18.114 -0.589 1.00 22.25 H new ATOM 0 HD3 PRO A 63 -3.318 -17.224 0.547 1.00 22.25 H new ATOM 962 N ASP A 64 -7.867 -17.589 -0.116 1.00 51.43 N ATOM 963 CA ASP A 64 -9.180 -18.179 -0.340 1.00 63.24 C ATOM 964 C ASP A 64 -10.142 -17.828 0.786 1.00 41.13 C ATOM 965 O ASP A 64 -11.357 -17.863 0.603 1.00 61.42 O ATOM 966 CB ASP A 64 -9.072 -19.701 -0.458 1.00 33.20 C ATOM 967 CG ASP A 64 -8.405 -20.142 -1.743 1.00 70.35 C ATOM 968 OD1 ASP A 64 -9.115 -20.312 -2.757 1.00 53.55 O ATOM 969 OD2 ASP A 64 -7.172 -20.336 -1.748 1.00 32.11 O ATOM 0 H ASP A 64 -7.128 -18.270 0.058 1.00 51.43 H new ATOM 0 HA ASP A 64 -9.568 -17.769 -1.272 1.00 63.24 H new ATOM 0 HB2 ASP A 64 -8.508 -20.088 0.391 1.00 33.20 H new ATOM 0 HB3 ASP A 64 -10.069 -20.137 -0.403 1.00 33.20 H new ATOM 974 N LYS A 65 -9.598 -17.487 1.948 1.00 44.10 N ATOM 975 CA LYS A 65 -10.421 -17.193 3.111 1.00 4.31 C ATOM 976 C LYS A 65 -10.272 -15.754 3.559 1.00 11.50 C ATOM 977 O LYS A 65 -9.179 -15.186 3.541 1.00 42.40 O ATOM 978 CB LYS A 65 -10.079 -18.120 4.276 1.00 31.41 C ATOM 979 CG LYS A 65 -11.116 -19.201 4.516 1.00 35.24 C ATOM 980 CD LYS A 65 -12.447 -18.618 4.979 1.00 53.40 C ATOM 981 CE LYS A 65 -12.357 -18.037 6.384 1.00 3.00 C ATOM 982 NZ LYS A 65 -11.994 -19.071 7.387 1.00 20.32 N ATOM 0 H LYS A 65 -8.594 -17.408 2.108 1.00 44.10 H new ATOM 0 HA LYS A 65 -11.455 -17.358 2.809 1.00 4.31 H new ATOM 0 HB2 LYS A 65 -9.114 -18.590 4.085 1.00 31.41 H new ATOM 0 HB3 LYS A 65 -9.970 -17.525 5.183 1.00 31.41 H new ATOM 0 HG2 LYS A 65 -11.268 -19.769 3.598 1.00 35.24 H new ATOM 0 HG3 LYS A 65 -10.745 -19.900 5.266 1.00 35.24 H new ATOM 0 HD2 LYS A 65 -12.763 -17.840 4.284 1.00 53.40 H new ATOM 0 HD3 LYS A 65 -13.211 -19.395 4.956 1.00 53.40 H new ATOM 0 HE2 LYS A 65 -11.615 -17.239 6.400 1.00 3.00 H new ATOM 0 HE3 LYS A 65 -13.313 -17.589 6.654 1.00 3.00 H new ATOM 0 HZ1 LYS A 65 -12.219 -18.723 8.341 1.00 20.32 H new ATOM 0 HZ2 LYS A 65 -12.532 -19.941 7.199 1.00 20.32 H new ATOM 0 HZ3 LYS A 65 -10.976 -19.274 7.324 1.00 20.32 H new ATOM 996 N LEU A 66 -11.391 -15.184 3.963 1.00 3.21 N ATOM 997 CA LEU A 66 -11.415 -13.852 4.538 1.00 61.40 C ATOM 998 C LEU A 66 -11.201 -13.949 6.040 1.00 71.33 C ATOM 999 O LEU A 66 -11.695 -14.874 6.689 1.00 64.43 O ATOM 1000 CB LEU A 66 -12.741 -13.138 4.243 1.00 50.03 C ATOM 1001 CG LEU A 66 -13.033 -12.850 2.767 1.00 60.14 C ATOM 1002 CD1 LEU A 66 -13.559 -14.090 2.060 1.00 43.11 C ATOM 1003 CD2 LEU A 66 -14.024 -11.702 2.640 1.00 62.15 C ATOM 0 H LEU A 66 -12.307 -15.629 3.902 1.00 3.21 H new ATOM 0 HA LEU A 66 -10.614 -13.267 4.085 1.00 61.40 H new ATOM 0 HB2 LEU A 66 -13.554 -13.744 4.642 1.00 50.03 H new ATOM 0 HB3 LEU A 66 -12.751 -12.193 4.786 1.00 50.03 H new ATOM 0 HG LEU A 66 -12.098 -12.562 2.286 1.00 60.14 H new ATOM 0 HD11 LEU A 66 -13.758 -13.856 1.014 1.00 43.11 H new ATOM 0 HD12 LEU A 66 -12.816 -14.885 2.119 1.00 43.11 H new ATOM 0 HD13 LEU A 66 -14.481 -14.419 2.540 1.00 43.11 H new ATOM 0 HD21 LEU A 66 -14.223 -11.508 1.586 1.00 62.15 H new ATOM 0 HD22 LEU A 66 -14.955 -11.967 3.142 1.00 62.15 H new ATOM 0 HD23 LEU A 66 -13.606 -10.807 3.101 1.00 62.15 H new ATOM 1015 N ILE A 67 -10.453 -13.010 6.582 1.00 70.32 N ATOM 1016 CA ILE A 67 -10.113 -13.023 7.992 1.00 34.11 C ATOM 1017 C ILE A 67 -11.221 -12.410 8.846 1.00 74.44 C ATOM 1018 O ILE A 67 -11.613 -11.258 8.646 1.00 33.14 O ATOM 1019 CB ILE A 67 -8.773 -12.296 8.235 1.00 35.12 C ATOM 1020 CG1 ILE A 67 -7.627 -13.119 7.647 1.00 32.10 C ATOM 1021 CG2 ILE A 67 -8.540 -12.043 9.714 1.00 61.33 C ATOM 1022 CD1 ILE A 67 -7.535 -14.521 8.218 1.00 30.54 C ATOM 0 H ILE A 67 -10.066 -12.222 6.063 1.00 70.32 H new ATOM 0 HA ILE A 67 -10.004 -14.065 8.294 1.00 34.11 H new ATOM 0 HB ILE A 67 -8.813 -11.327 7.738 1.00 35.12 H new ATOM 0 HG12 ILE A 67 -7.753 -13.183 6.566 1.00 32.10 H new ATOM 0 HG13 ILE A 67 -6.686 -12.599 7.828 1.00 32.10 H new ATOM 0 HG21 ILE A 67 -7.588 -11.530 9.850 1.00 61.33 H new ATOM 0 HG22 ILE A 67 -9.346 -11.424 10.109 1.00 61.33 H new ATOM 0 HG23 ILE A 67 -8.519 -12.994 10.247 1.00 61.33 H new ATOM 0 HD11 ILE A 67 -6.700 -15.048 7.756 1.00 30.54 H new ATOM 0 HD12 ILE A 67 -7.378 -14.466 9.295 1.00 30.54 H new ATOM 0 HD13 ILE A 67 -8.461 -15.059 8.014 1.00 30.54 H new ATOM 1034 N PRO A 68 -11.747 -13.195 9.800 1.00 75.10 N ATOM 1035 CA PRO A 68 -12.795 -12.747 10.720 1.00 24.15 C ATOM 1036 C PRO A 68 -12.265 -11.794 11.790 1.00 13.22 C ATOM 1037 O PRO A 68 -11.063 -11.529 11.867 1.00 25.13 O ATOM 1038 CB PRO A 68 -13.279 -14.043 11.360 1.00 63.35 C ATOM 1039 CG PRO A 68 -12.097 -14.942 11.311 1.00 72.32 C ATOM 1040 CD PRO A 68 -11.363 -14.598 10.047 1.00 10.35 C ATOM 0 HA PRO A 68 -13.576 -12.189 10.204 1.00 24.15 H new ATOM 0 HB2 PRO A 68 -13.612 -13.880 12.385 1.00 63.35 H new ATOM 0 HB3 PRO A 68 -14.123 -14.465 10.814 1.00 63.35 H new ATOM 0 HG2 PRO A 68 -11.460 -14.796 12.183 1.00 72.32 H new ATOM 0 HG3 PRO A 68 -12.403 -15.988 11.311 1.00 72.32 H new ATOM 0 HD2 PRO A 68 -10.285 -14.704 10.167 1.00 10.35 H new ATOM 0 HD3 PRO A 68 -11.658 -15.247 9.222 1.00 10.35 H new ATOM 1048 N GLN A 69 -13.156 -11.334 12.656 1.00 23.22 N ATOM 1049 CA GLN A 69 -12.836 -10.244 13.569 1.00 35.50 C ATOM 1050 C GLN A 69 -11.878 -10.693 14.671 1.00 15.30 C ATOM 1051 O GLN A 69 -11.037 -9.919 15.120 1.00 22.13 O ATOM 1052 CB GLN A 69 -14.109 -9.670 14.187 1.00 50.42 C ATOM 1053 CG GLN A 69 -13.910 -8.292 14.799 1.00 51.33 C ATOM 1054 CD GLN A 69 -15.047 -7.886 15.716 1.00 34.41 C ATOM 1055 OE1 GLN A 69 -15.663 -8.857 16.373 1.00 75.41 O flip ATOM 1056 NE2 GLN A 69 -15.362 -6.706 15.845 1.00 40.01 N flip ATOM 0 H GLN A 69 -14.105 -11.697 12.747 1.00 23.22 H new ATOM 0 HA GLN A 69 -12.339 -9.468 12.987 1.00 35.50 H new ATOM 0 HB2 GLN A 69 -14.883 -9.612 13.421 1.00 50.42 H new ATOM 0 HB3 GLN A 69 -14.472 -10.353 14.955 1.00 50.42 H new ATOM 0 HG2 GLN A 69 -12.975 -8.280 15.360 1.00 51.33 H new ATOM 0 HG3 GLN A 69 -13.812 -7.556 14.001 1.00 51.33 H new ATOM 0 HE21 GLN A 69 -14.864 -5.985 15.322 1.00 40.01 H new ATOM 0 HE22 GLN A 69 -16.121 -6.447 16.475 1.00 40.01 H new ATOM 1065 N TRP A 70 -11.984 -11.944 15.098 1.00 12.13 N ATOM 1066 CA TRP A 70 -11.101 -12.444 16.149 1.00 1.50 C ATOM 1067 C TRP A 70 -9.664 -12.568 15.638 1.00 22.42 C ATOM 1068 O TRP A 70 -8.721 -12.650 16.426 1.00 52.13 O ATOM 1069 CB TRP A 70 -11.594 -13.790 16.713 1.00 12.21 C ATOM 1070 CG TRP A 70 -11.680 -14.897 15.700 1.00 11.44 C ATOM 1071 CD1 TRP A 70 -10.638 -15.549 15.100 1.00 4.14 C ATOM 1072 CD2 TRP A 70 -12.876 -15.503 15.191 1.00 75.23 C ATOM 1073 NE1 TRP A 70 -11.114 -16.495 14.230 1.00 72.15 N ATOM 1074 CE2 TRP A 70 -12.483 -16.492 14.273 1.00 42.15 C ATOM 1075 CE3 TRP A 70 -14.242 -15.299 15.417 1.00 64.22 C ATOM 1076 CZ2 TRP A 70 -13.399 -17.275 13.583 1.00 15.02 C ATOM 1077 CZ3 TRP A 70 -15.153 -16.082 14.731 1.00 13.14 C ATOM 1078 CH2 TRP A 70 -14.728 -17.059 13.823 1.00 52.04 C ATOM 0 H TRP A 70 -12.658 -12.622 14.743 1.00 12.13 H new ATOM 0 HA TRP A 70 -11.118 -11.719 16.963 1.00 1.50 H new ATOM 0 HB2 TRP A 70 -10.925 -14.100 17.515 1.00 12.21 H new ATOM 0 HB3 TRP A 70 -12.578 -13.644 17.158 1.00 12.21 H new ATOM 0 HD1 TRP A 70 -9.593 -15.348 15.285 1.00 4.14 H new ATOM 0 HE1 TRP A 70 -10.541 -17.103 13.645 1.00 72.15 H new ATOM 0 HE3 TRP A 70 -14.578 -14.545 16.113 1.00 64.22 H new ATOM 0 HZ2 TRP A 70 -13.073 -18.028 12.881 1.00 15.02 H new ATOM 0 HZ3 TRP A 70 -16.210 -15.937 14.899 1.00 13.14 H new ATOM 0 HH2 TRP A 70 -15.464 -17.654 13.302 1.00 52.04 H new ATOM 1089 N GLU A 71 -9.505 -12.560 14.320 1.00 14.11 N ATOM 1090 CA GLU A 71 -8.192 -12.695 13.705 1.00 63.22 C ATOM 1091 C GLU A 71 -7.677 -11.348 13.198 1.00 40.13 C ATOM 1092 O GLU A 71 -6.478 -11.176 12.998 1.00 52.24 O ATOM 1093 CB GLU A 71 -8.241 -13.720 12.572 1.00 13.44 C ATOM 1094 CG GLU A 71 -7.421 -14.977 12.836 1.00 40.14 C ATOM 1095 CD GLU A 71 -5.921 -14.727 12.859 1.00 12.02 C ATOM 1096 OE1 GLU A 71 -5.335 -14.502 11.781 1.00 53.14 O ATOM 1097 OE2 GLU A 71 -5.314 -14.797 13.954 1.00 52.21 O ATOM 0 H GLU A 71 -10.272 -12.461 13.655 1.00 14.11 H new ATOM 0 HA GLU A 71 -7.495 -13.049 14.465 1.00 63.22 H new ATOM 0 HB2 GLU A 71 -9.279 -14.005 12.399 1.00 13.44 H new ATOM 0 HB3 GLU A 71 -7.883 -13.251 11.656 1.00 13.44 H new ATOM 0 HG2 GLU A 71 -7.725 -15.406 13.791 1.00 40.14 H new ATOM 0 HG3 GLU A 71 -7.647 -15.717 12.068 1.00 40.14 H new ATOM 1104 N ILE A 72 -8.573 -10.386 12.992 1.00 62.04 N ATOM 1105 CA ILE A 72 -8.144 -9.040 12.618 1.00 41.33 C ATOM 1106 C ILE A 72 -7.583 -8.316 13.837 1.00 70.11 C ATOM 1107 O ILE A 72 -6.779 -7.393 13.715 1.00 11.13 O ATOM 1108 CB ILE A 72 -9.275 -8.197 11.985 1.00 32.24 C ATOM 1109 CG1 ILE A 72 -10.407 -7.936 12.976 1.00 3.32 C ATOM 1110 CG2 ILE A 72 -9.806 -8.894 10.743 1.00 72.10 C ATOM 1111 CD1 ILE A 72 -11.468 -6.994 12.447 1.00 0.33 C ATOM 0 H ILE A 72 -9.582 -10.508 13.075 1.00 62.04 H new ATOM 0 HA ILE A 72 -7.371 -9.156 11.858 1.00 41.33 H new ATOM 0 HB ILE A 72 -8.858 -7.230 11.705 1.00 32.24 H new ATOM 0 HG12 ILE A 72 -10.874 -8.885 13.240 1.00 3.32 H new ATOM 0 HG13 ILE A 72 -9.988 -7.521 13.893 1.00 3.32 H new ATOM 0 HG21 ILE A 72 -10.603 -8.295 10.302 1.00 72.10 H new ATOM 0 HG22 ILE A 72 -8.999 -9.014 10.020 1.00 72.10 H new ATOM 0 HG23 ILE A 72 -10.198 -9.874 11.015 1.00 72.10 H new ATOM 0 HD11 ILE A 72 -12.240 -6.854 13.203 1.00 0.33 H new ATOM 0 HD12 ILE A 72 -11.014 -6.032 12.209 1.00 0.33 H new ATOM 0 HD13 ILE A 72 -11.914 -7.417 11.547 1.00 0.33 H new ATOM 1123 N PHE A 73 -8.016 -8.756 15.011 1.00 53.24 N ATOM 1124 CA PHE A 73 -7.471 -8.268 16.266 1.00 22.21 C ATOM 1125 C PHE A 73 -6.531 -9.314 16.849 1.00 40.51 C ATOM 1126 O PHE A 73 -6.494 -9.538 18.059 1.00 11.43 O ATOM 1127 CB PHE A 73 -8.598 -7.951 17.251 1.00 50.44 C ATOM 1128 CG PHE A 73 -9.491 -6.830 16.800 1.00 11.21 C ATOM 1129 CD1 PHE A 73 -8.965 -5.584 16.502 1.00 0.21 C ATOM 1130 CD2 PHE A 73 -10.856 -7.024 16.673 1.00 22.41 C ATOM 1131 CE1 PHE A 73 -9.783 -4.552 16.087 1.00 44.32 C ATOM 1132 CE2 PHE A 73 -11.680 -5.993 16.259 1.00 53.01 C ATOM 1133 CZ PHE A 73 -11.142 -4.757 15.965 1.00 40.43 C ATOM 0 H PHE A 73 -8.750 -9.456 15.118 1.00 53.24 H new ATOM 0 HA PHE A 73 -6.914 -7.349 16.083 1.00 22.21 H new ATOM 0 HB2 PHE A 73 -9.201 -8.847 17.402 1.00 50.44 H new ATOM 0 HB3 PHE A 73 -8.164 -7.693 18.217 1.00 50.44 H new ATOM 0 HD1 PHE A 73 -7.902 -5.418 16.595 1.00 0.21 H new ATOM 0 HD2 PHE A 73 -11.282 -7.990 16.900 1.00 22.41 H new ATOM 0 HE1 PHE A 73 -9.360 -3.585 15.858 1.00 44.32 H new ATOM 0 HE2 PHE A 73 -12.744 -6.155 16.166 1.00 53.01 H new ATOM 0 HZ PHE A 73 -11.784 -3.951 15.640 1.00 40.43 H new ATOM 1143 N SER A 74 -5.769 -9.945 15.967 1.00 61.40 N ATOM 1144 CA SER A 74 -4.857 -11.017 16.342 1.00 52.14 C ATOM 1145 C SER A 74 -3.663 -10.470 17.123 1.00 64.12 C ATOM 1146 O SER A 74 -2.978 -11.214 17.826 1.00 62.24 O ATOM 1147 CB SER A 74 -4.383 -11.750 15.080 1.00 32.24 C ATOM 1148 OG SER A 74 -3.703 -12.957 15.387 1.00 12.11 O ATOM 0 H SER A 74 -5.765 -9.728 14.970 1.00 61.40 H new ATOM 0 HA SER A 74 -5.385 -11.718 16.989 1.00 52.14 H new ATOM 0 HB2 SER A 74 -5.241 -11.969 14.445 1.00 32.24 H new ATOM 0 HB3 SER A 74 -3.722 -11.098 14.509 1.00 32.24 H new ATOM 0 HG SER A 74 -4.157 -13.708 14.950 1.00 12.11 H new ATOM 1154 N TRP A 75 -3.405 -9.172 16.992 1.00 45.33 N ATOM 1155 CA TRP A 75 -2.327 -8.533 17.727 1.00 15.23 C ATOM 1156 C TRP A 75 -2.795 -7.219 18.343 1.00 31.23 C ATOM 1157 O TRP A 75 -3.612 -7.209 19.269 1.00 71.23 O ATOM 1158 CB TRP A 75 -1.121 -8.294 16.814 1.00 12.41 C ATOM 1159 CG TRP A 75 -1.390 -7.390 15.647 1.00 73.45 C ATOM 1160 CD1 TRP A 75 -1.773 -7.762 14.390 1.00 3.15 C ATOM 1161 CD2 TRP A 75 -1.283 -5.962 15.629 1.00 0.21 C ATOM 1162 NE1 TRP A 75 -1.911 -6.652 13.591 1.00 52.30 N ATOM 1163 CE2 TRP A 75 -1.617 -5.535 14.329 1.00 71.22 C ATOM 1164 CE3 TRP A 75 -0.941 -5.001 16.585 1.00 42.25 C ATOM 1165 CZ2 TRP A 75 -1.613 -4.192 13.964 1.00 12.10 C ATOM 1166 CZ3 TRP A 75 -0.938 -3.670 16.220 1.00 21.10 C ATOM 1167 CH2 TRP A 75 -1.274 -3.276 14.921 1.00 43.41 C ATOM 0 H TRP A 75 -3.930 -8.545 16.383 1.00 45.33 H new ATOM 0 HA TRP A 75 -2.025 -9.201 18.534 1.00 15.23 H new ATOM 0 HB2 TRP A 75 -0.312 -7.869 17.407 1.00 12.41 H new ATOM 0 HB3 TRP A 75 -0.770 -9.255 16.439 1.00 12.41 H new ATOM 0 HD1 TRP A 75 -1.943 -8.780 14.070 1.00 3.15 H new ATOM 0 HE1 TRP A 75 -2.187 -6.659 12.609 1.00 52.30 H new ATOM 0 HE3 TRP A 75 -0.684 -5.295 17.592 1.00 42.25 H new ATOM 0 HZ2 TRP A 75 -1.869 -3.884 12.961 1.00 12.10 H new ATOM 0 HZ3 TRP A 75 -0.672 -2.920 16.950 1.00 21.10 H new ATOM 0 HH2 TRP A 75 -1.266 -2.226 14.668 1.00 43.41 H new ATOM 1256 N SER B 108 -12.013 9.941 4.225 1.00 64.21 N ATOM 1257 CA SER B 108 -10.629 10.362 4.096 1.00 74.10 C ATOM 1258 C SER B 108 -9.740 9.178 3.727 1.00 1.23 C ATOM 1259 O SER B 108 -9.376 8.360 4.578 1.00 74.43 O ATOM 1260 CB SER B 108 -10.154 11.012 5.395 1.00 40.41 C ATOM 1261 OG SER B 108 -10.546 10.243 6.525 1.00 23.25 O ATOM 0 HA SER B 108 -10.561 11.098 3.295 1.00 74.10 H new ATOM 0 HB2 SER B 108 -9.069 11.113 5.379 1.00 40.41 H new ATOM 0 HB3 SER B 108 -10.567 12.018 5.474 1.00 40.41 H new ATOM 0 HG SER B 108 -11.371 9.755 6.319 1.00 23.25 H new ATOM 1267 N GLY B 109 -9.405 9.087 2.454 1.00 61.21 N ATOM 1268 CA GLY B 109 -8.663 7.951 1.962 1.00 54.03 C ATOM 1269 C GLY B 109 -9.591 6.875 1.457 1.00 30.11 C ATOM 1270 O GLY B 109 -10.369 6.305 2.224 1.00 55.21 O ATOM 0 H GLY B 109 -9.636 9.785 1.747 1.00 61.21 H new ATOM 0 HA2 GLY B 109 -7.997 8.268 1.159 1.00 54.03 H new ATOM 0 HA3 GLY B 109 -8.035 7.550 2.758 1.00 54.03 H new ATOM 1274 N GLU B 110 -9.518 6.591 0.171 1.00 43.13 N ATOM 1275 CA GLU B 110 -10.431 5.651 -0.445 1.00 34.43 C ATOM 1276 C GLU B 110 -9.668 4.483 -1.050 1.00 50.23 C ATOM 1277 O GLU B 110 -9.197 4.550 -2.185 1.00 4.25 O ATOM 1278 CB GLU B 110 -11.298 6.343 -1.506 1.00 71.41 C ATOM 1279 CG GLU B 110 -10.507 7.181 -2.501 1.00 50.01 C ATOM 1280 CD GLU B 110 -11.371 7.737 -3.610 1.00 22.42 C ATOM 1281 OE1 GLU B 110 -12.097 8.722 -3.366 1.00 21.34 O ATOM 1282 OE2 GLU B 110 -11.333 7.192 -4.734 1.00 0.32 O ATOM 0 H GLU B 110 -8.835 6.999 -0.467 1.00 43.13 H new ATOM 0 HA GLU B 110 -11.093 5.264 0.329 1.00 34.43 H new ATOM 0 HB2 GLU B 110 -11.861 5.585 -2.051 1.00 71.41 H new ATOM 0 HB3 GLU B 110 -12.026 6.982 -1.006 1.00 71.41 H new ATOM 0 HG2 GLU B 110 -10.024 8.004 -1.974 1.00 50.01 H new ATOM 0 HG3 GLU B 110 -9.714 6.571 -2.934 1.00 50.01 H new ATOM 1289 N PRO B 111 -9.509 3.397 -0.284 1.00 3.44 N ATOM 1290 CA PRO B 111 -8.873 2.194 -0.782 1.00 21.50 C ATOM 1291 C PRO B 111 -9.826 1.402 -1.664 1.00 14.41 C ATOM 1292 O PRO B 111 -10.298 0.322 -1.303 1.00 44.51 O ATOM 1293 CB PRO B 111 -8.496 1.434 0.486 1.00 74.32 C ATOM 1294 CG PRO B 111 -9.456 1.895 1.531 1.00 50.10 C ATOM 1295 CD PRO B 111 -9.941 3.264 1.120 1.00 5.42 C ATOM 0 HA PRO B 111 -8.006 2.394 -1.412 1.00 21.50 H new ATOM 0 HB2 PRO B 111 -8.570 0.357 0.334 1.00 74.32 H new ATOM 0 HB3 PRO B 111 -7.467 1.645 0.778 1.00 74.32 H new ATOM 0 HG2 PRO B 111 -10.292 1.201 1.618 1.00 50.10 H new ATOM 0 HG3 PRO B 111 -8.972 1.935 2.507 1.00 50.10 H new ATOM 0 HD2 PRO B 111 -11.024 3.347 1.213 1.00 5.42 H new ATOM 0 HD3 PRO B 111 -9.507 4.044 1.745 1.00 5.42 H new ATOM 1303 N ASP B 112 -10.119 1.985 -2.812 1.00 24.14 N ATOM 1304 CA ASP B 112 -11.030 1.405 -3.780 1.00 12.11 C ATOM 1305 C ASP B 112 -10.250 0.543 -4.760 1.00 52.23 C ATOM 1306 O ASP B 112 -9.041 0.730 -4.939 1.00 2.13 O ATOM 1307 CB ASP B 112 -11.771 2.525 -4.524 1.00 53.13 C ATOM 1308 CG ASP B 112 -12.805 2.012 -5.505 1.00 53.24 C ATOM 1309 OD1 ASP B 112 -12.451 1.762 -6.674 1.00 43.04 O ATOM 1310 OD2 ASP B 112 -13.981 1.866 -5.111 1.00 21.24 O ATOM 0 H ASP B 112 -9.728 2.882 -3.101 1.00 24.14 H new ATOM 0 HA ASP B 112 -11.761 0.780 -3.267 1.00 12.11 H new ATOM 0 HB2 ASP B 112 -12.261 3.173 -3.797 1.00 53.13 H new ATOM 0 HB3 ASP B 112 -11.046 3.138 -5.059 1.00 53.13 H new ATOM 1315 N VAL B 113 -10.924 -0.393 -5.395 1.00 32.21 N ATOM 1316 CA VAL B 113 -10.261 -1.283 -6.320 1.00 4.40 C ATOM 1317 C VAL B 113 -10.898 -1.213 -7.706 1.00 53.35 C ATOM 1318 O VAL B 113 -12.112 -1.345 -7.863 1.00 63.32 O ATOM 1319 CB VAL B 113 -10.253 -2.735 -5.802 1.00 10.42 C ATOM 1320 CG1 VAL B 113 -11.661 -3.283 -5.652 1.00 22.34 C ATOM 1321 CG2 VAL B 113 -9.433 -3.613 -6.720 1.00 73.25 C ATOM 0 H VAL B 113 -11.925 -0.556 -5.287 1.00 32.21 H new ATOM 0 HA VAL B 113 -9.226 -0.950 -6.401 1.00 4.40 H new ATOM 0 HB VAL B 113 -9.796 -2.735 -4.813 1.00 10.42 H new ATOM 0 HG11 VAL B 113 -11.615 -4.308 -5.285 1.00 22.34 H new ATOM 0 HG12 VAL B 113 -12.217 -2.669 -4.944 1.00 22.34 H new ATOM 0 HG13 VAL B 113 -12.163 -3.266 -6.619 1.00 22.34 H new ATOM 0 HG21 VAL B 113 -9.435 -4.636 -6.343 1.00 73.25 H new ATOM 0 HG22 VAL B 113 -9.863 -3.594 -7.721 1.00 73.25 H new ATOM 0 HG23 VAL B 113 -8.409 -3.243 -6.758 1.00 73.25 H new ATOM 1331 N THR B 114 -10.064 -0.981 -8.702 1.00 14.14 N ATOM 1332 CA THR B 114 -10.513 -0.913 -10.078 1.00 13.23 C ATOM 1333 C THR B 114 -10.575 -2.321 -10.662 1.00 71.34 C ATOM 1334 O THR B 114 -9.544 -2.969 -10.843 1.00 60.43 O ATOM 1335 CB THR B 114 -9.565 -0.036 -10.917 1.00 72.34 C ATOM 1336 OG1 THR B 114 -9.308 1.199 -10.224 1.00 55.24 O ATOM 1337 CG2 THR B 114 -10.163 0.259 -12.285 1.00 14.30 C ATOM 0 H THR B 114 -9.062 -0.835 -8.580 1.00 14.14 H new ATOM 0 HA THR B 114 -11.506 -0.464 -10.103 1.00 13.23 H new ATOM 0 HB THR B 114 -8.631 -0.579 -11.060 1.00 72.34 H new ATOM 0 HG1 THR B 114 -9.870 1.908 -10.600 1.00 55.24 H new ATOM 0 HG21 THR B 114 -9.474 0.880 -12.857 1.00 14.30 H new ATOM 0 HG22 THR B 114 -10.335 -0.677 -12.816 1.00 14.30 H new ATOM 0 HG23 THR B 114 -11.109 0.786 -12.162 1.00 14.30 H new ATOM 1345 N ILE B 115 -11.781 -2.797 -10.925 1.00 14.15 N ATOM 1346 CA ILE B 115 -11.984 -4.177 -11.341 1.00 24.23 C ATOM 1347 C ILE B 115 -12.142 -4.288 -12.854 1.00 75.14 C ATOM 1348 O ILE B 115 -13.085 -3.745 -13.435 1.00 32.35 O ATOM 1349 CB ILE B 115 -13.229 -4.780 -10.651 1.00 73.43 C ATOM 1350 CG1 ILE B 115 -13.076 -4.696 -9.129 1.00 54.03 C ATOM 1351 CG2 ILE B 115 -13.446 -6.222 -11.091 1.00 22.53 C ATOM 1352 CD1 ILE B 115 -14.281 -5.197 -8.363 1.00 12.45 C ATOM 0 H ILE B 115 -12.637 -2.247 -10.858 1.00 14.15 H new ATOM 0 HA ILE B 115 -11.097 -4.736 -11.042 1.00 24.23 H new ATOM 0 HB ILE B 115 -14.105 -4.204 -10.948 1.00 73.43 H new ATOM 0 HG12 ILE B 115 -12.201 -5.273 -8.829 1.00 54.03 H new ATOM 0 HG13 ILE B 115 -12.885 -3.660 -8.849 1.00 54.03 H new ATOM 0 HG21 ILE B 115 -14.327 -6.626 -10.593 1.00 22.53 H new ATOM 0 HG22 ILE B 115 -13.592 -6.255 -12.171 1.00 22.53 H new ATOM 0 HG23 ILE B 115 -12.574 -6.819 -10.825 1.00 22.53 H new ATOM 0 HD11 ILE B 115 -14.096 -5.105 -7.293 1.00 12.45 H new ATOM 0 HD12 ILE B 115 -15.155 -4.604 -8.632 1.00 12.45 H new ATOM 0 HD13 ILE B 115 -14.461 -6.243 -8.612 1.00 12.45 H new ATOM 1364 N ARG B 116 -11.206 -4.980 -13.485 1.00 33.14 N ATOM 1365 CA ARG B 116 -11.275 -5.252 -14.912 1.00 20.43 C ATOM 1366 C ARG B 116 -11.132 -6.740 -15.180 1.00 2.40 C ATOM 1367 O ARG B 116 -10.804 -7.507 -14.280 1.00 15.22 O ATOM 1368 CB ARG B 116 -10.179 -4.499 -15.661 1.00 21.13 C ATOM 1369 CG ARG B 116 -10.506 -3.043 -15.925 1.00 24.21 C ATOM 1370 CD ARG B 116 -9.442 -2.401 -16.793 1.00 64.50 C ATOM 1371 NE ARG B 116 -9.859 -1.104 -17.313 1.00 60.10 N ATOM 1372 CZ ARG B 116 -9.584 -0.684 -18.546 1.00 5.43 C ATOM 1373 NH1 ARG B 116 -8.865 -1.444 -19.360 1.00 4.13 N ATOM 1374 NH2 ARG B 116 -10.018 0.499 -18.957 1.00 74.21 N ATOM 0 H ARG B 116 -10.382 -5.367 -13.025 1.00 33.14 H new ATOM 0 HA ARG B 116 -12.248 -4.913 -15.267 1.00 20.43 H new ATOM 0 HB2 ARG B 116 -9.255 -4.555 -15.086 1.00 21.13 H new ATOM 0 HB3 ARG B 116 -9.994 -4.998 -16.612 1.00 21.13 H new ATOM 0 HG2 ARG B 116 -11.476 -2.967 -16.415 1.00 24.21 H new ATOM 0 HG3 ARG B 116 -10.583 -2.506 -14.980 1.00 24.21 H new ATOM 0 HD2 ARG B 116 -8.527 -2.280 -16.213 1.00 64.50 H new ATOM 0 HD3 ARG B 116 -9.206 -3.065 -17.625 1.00 64.50 H new ATOM 0 HE ARG B 116 -10.390 -0.486 -16.699 1.00 60.10 H new ATOM 0 HH11 ARG B 116 -8.523 -2.351 -19.042 1.00 4.13 H new ATOM 0 HH12 ARG B 116 -8.654 -1.122 -20.305 1.00 4.13 H new ATOM 0 HH21 ARG B 116 -10.563 1.089 -18.328 1.00 74.21 H new ATOM 0 HH22 ARG B 116 -9.807 0.820 -19.902 1.00 74.21 H new ATOM 1388 N GLN B 117 -11.368 -7.142 -16.418 1.00 44.51 N ATOM 1389 CA GLN B 117 -11.192 -8.527 -16.814 1.00 31.31 C ATOM 1390 C GLN B 117 -10.403 -8.606 -18.110 1.00 23.50 C ATOM 1391 O GLN B 117 -10.952 -8.447 -19.202 1.00 3.14 O ATOM 1392 CB GLN B 117 -12.530 -9.243 -16.981 1.00 15.42 C ATOM 1393 CG GLN B 117 -13.264 -9.486 -15.670 1.00 61.02 C ATOM 1394 CD GLN B 117 -14.464 -10.402 -15.829 1.00 31.42 C ATOM 1395 OE1 GLN B 117 -14.482 -11.278 -16.695 1.00 3.41 O ATOM 1396 NE2 GLN B 117 -15.478 -10.208 -14.998 1.00 53.42 N ATOM 0 H GLN B 117 -11.683 -6.526 -17.167 1.00 44.51 H new ATOM 0 HA GLN B 117 -10.640 -9.027 -16.018 1.00 31.31 H new ATOM 0 HB2 GLN B 117 -13.167 -8.653 -17.640 1.00 15.42 H new ATOM 0 HB3 GLN B 117 -12.360 -10.200 -17.475 1.00 15.42 H new ATOM 0 HG2 GLN B 117 -12.574 -9.921 -14.948 1.00 61.02 H new ATOM 0 HG3 GLN B 117 -13.593 -8.531 -15.261 1.00 61.02 H new ATOM 0 HE21 GLN B 117 -15.426 -9.472 -14.293 1.00 53.42 H new ATOM 0 HE22 GLN B 117 -16.310 -10.795 -15.063 1.00 53.42 H new ATOM 1405 N GLU B 118 -9.117 -8.853 -17.980 1.00 34.25 N ATOM 1406 CA GLU B 118 -8.234 -8.923 -19.128 1.00 4.24 C ATOM 1407 C GLU B 118 -8.056 -10.377 -19.538 1.00 53.14 C ATOM 1408 O GLU B 118 -7.311 -11.123 -18.905 1.00 14.22 O ATOM 1409 CB GLU B 118 -6.883 -8.290 -18.794 1.00 12.41 C ATOM 1410 CG GLU B 118 -6.992 -6.887 -18.211 1.00 44.03 C ATOM 1411 CD GLU B 118 -7.690 -5.914 -19.140 1.00 33.21 C ATOM 1412 OE1 GLU B 118 -7.061 -5.471 -20.125 1.00 43.33 O ATOM 1413 OE2 GLU B 118 -8.862 -5.575 -18.885 1.00 24.00 O ATOM 0 H GLU B 118 -8.656 -9.010 -17.084 1.00 34.25 H new ATOM 0 HA GLU B 118 -8.673 -8.370 -19.958 1.00 4.24 H new ATOM 0 HB2 GLU B 118 -6.358 -8.929 -18.084 1.00 12.41 H new ATOM 0 HB3 GLU B 118 -6.276 -8.252 -19.698 1.00 12.41 H new ATOM 0 HG2 GLU B 118 -7.535 -6.933 -17.267 1.00 44.03 H new ATOM 0 HG3 GLU B 118 -5.993 -6.514 -17.987 1.00 44.03 H new ATOM 1420 N GLY B 119 -8.770 -10.787 -20.572 1.00 74.42 N ATOM 1421 CA GLY B 119 -8.744 -12.176 -20.976 1.00 5.04 C ATOM 1422 C GLY B 119 -9.518 -13.046 -20.009 1.00 52.30 C ATOM 1423 O GLY B 119 -10.721 -12.852 -19.827 1.00 61.34 O ATOM 0 H GLY B 119 -9.367 -10.184 -21.139 1.00 74.42 H new ATOM 0 HA2 GLY B 119 -9.168 -12.274 -21.975 1.00 5.04 H new ATOM 0 HA3 GLY B 119 -7.712 -12.521 -21.032 1.00 5.04 H new ATOM 1427 N ASP B 120 -8.836 -13.984 -19.367 1.00 43.21 N ATOM 1428 CA ASP B 120 -9.489 -14.872 -18.412 1.00 54.31 C ATOM 1429 C ASP B 120 -9.149 -14.463 -16.985 1.00 34.41 C ATOM 1430 O ASP B 120 -9.408 -15.207 -16.046 1.00 21.05 O ATOM 1431 CB ASP B 120 -9.056 -16.332 -18.612 1.00 71.04 C ATOM 1432 CG ASP B 120 -9.112 -16.795 -20.053 1.00 61.43 C ATOM 1433 OD1 ASP B 120 -10.175 -17.289 -20.480 1.00 23.20 O ATOM 1434 OD2 ASP B 120 -8.083 -16.694 -20.756 1.00 4.40 O ATOM 0 H ASP B 120 -7.837 -14.150 -19.488 1.00 43.21 H new ATOM 0 HA ASP B 120 -10.562 -14.790 -18.583 1.00 54.31 H new ATOM 0 HB2 ASP B 120 -8.038 -16.453 -18.241 1.00 71.04 H new ATOM 0 HB3 ASP B 120 -9.695 -16.976 -18.008 1.00 71.04 H new ATOM 1439 N LYS B 121 -8.555 -13.294 -16.810 1.00 44.33 N ATOM 1440 CA LYS B 121 -8.116 -12.891 -15.483 1.00 61.15 C ATOM 1441 C LYS B 121 -8.698 -11.541 -15.082 1.00 42.11 C ATOM 1442 O LYS B 121 -8.519 -10.532 -15.767 1.00 41.10 O ATOM 1443 CB LYS B 121 -6.583 -12.881 -15.405 1.00 32.21 C ATOM 1444 CG LYS B 121 -5.911 -11.862 -16.311 1.00 0.22 C ATOM 1445 CD LYS B 121 -4.603 -12.385 -16.878 1.00 60.32 C ATOM 1446 CE LYS B 121 -3.623 -12.790 -15.792 1.00 4.43 C ATOM 1447 NZ LYS B 121 -2.377 -13.363 -16.365 1.00 62.24 N ATOM 0 H LYS B 121 -8.368 -12.620 -17.552 1.00 44.33 H new ATOM 0 HA LYS B 121 -8.492 -13.625 -14.770 1.00 61.15 H new ATOM 0 HB2 LYS B 121 -6.286 -12.684 -14.375 1.00 32.21 H new ATOM 0 HB3 LYS B 121 -6.213 -13.874 -15.659 1.00 32.21 H new ATOM 0 HG2 LYS B 121 -6.584 -11.604 -17.129 1.00 0.22 H new ATOM 0 HG3 LYS B 121 -5.724 -10.946 -15.751 1.00 0.22 H new ATOM 0 HD2 LYS B 121 -4.805 -13.243 -17.519 1.00 60.32 H new ATOM 0 HD3 LYS B 121 -4.149 -11.618 -17.505 1.00 60.32 H new ATOM 0 HE2 LYS B 121 -3.377 -11.922 -15.181 1.00 4.43 H new ATOM 0 HE3 LYS B 121 -4.091 -13.521 -15.133 1.00 4.43 H new ATOM 0 HZ1 LYS B 121 -1.731 -13.628 -15.595 1.00 62.24 H new ATOM 0 HZ2 LYS B 121 -2.609 -14.206 -16.928 1.00 62.24 H new ATOM 0 HZ3 LYS B 121 -1.918 -12.656 -16.974 1.00 62.24 H new ATOM 1461 N THR B 122 -9.420 -11.545 -13.976 1.00 54.12 N ATOM 1462 CA THR B 122 -9.961 -10.326 -13.406 1.00 1.34 C ATOM 1463 C THR B 122 -8.857 -9.559 -12.683 1.00 45.30 C ATOM 1464 O THR B 122 -8.434 -9.948 -11.599 1.00 33.02 O ATOM 1465 CB THR B 122 -11.104 -10.640 -12.417 1.00 63.10 C ATOM 1466 OG1 THR B 122 -12.099 -11.459 -13.051 1.00 62.25 O ATOM 1467 CG2 THR B 122 -11.748 -9.362 -11.901 1.00 14.24 C ATOM 0 H THR B 122 -9.647 -12.389 -13.450 1.00 54.12 H new ATOM 0 HA THR B 122 -10.361 -9.717 -14.217 1.00 1.34 H new ATOM 0 HB THR B 122 -10.676 -11.179 -11.571 1.00 63.10 H new ATOM 0 HG1 THR B 122 -12.818 -11.653 -12.414 1.00 62.25 H new ATOM 0 HG21 THR B 122 -12.550 -9.613 -11.207 1.00 14.24 H new ATOM 0 HG22 THR B 122 -10.999 -8.759 -11.388 1.00 14.24 H new ATOM 0 HG23 THR B 122 -12.157 -8.797 -12.738 1.00 14.24 H new ATOM 1475 N ILE B 123 -8.372 -8.494 -13.297 1.00 0.02 N ATOM 1476 CA ILE B 123 -7.310 -7.703 -12.703 1.00 1.31 C ATOM 1477 C ILE B 123 -7.894 -6.541 -11.919 1.00 21.44 C ATOM 1478 O ILE B 123 -8.618 -5.705 -12.461 1.00 42.32 O ATOM 1479 CB ILE B 123 -6.316 -7.189 -13.767 1.00 3.14 C ATOM 1480 CG1 ILE B 123 -5.659 -8.379 -14.470 1.00 12.33 C ATOM 1481 CG2 ILE B 123 -5.262 -6.286 -13.133 1.00 72.13 C ATOM 1482 CD1 ILE B 123 -4.598 -7.991 -15.476 1.00 35.34 C ATOM 0 H ILE B 123 -8.696 -8.158 -14.204 1.00 0.02 H new ATOM 0 HA ILE B 123 -6.757 -8.350 -12.022 1.00 1.31 H new ATOM 0 HB ILE B 123 -6.860 -6.597 -14.503 1.00 3.14 H new ATOM 0 HG12 ILE B 123 -5.212 -9.030 -13.719 1.00 12.33 H new ATOM 0 HG13 ILE B 123 -6.430 -8.960 -14.976 1.00 12.33 H new ATOM 0 HG21 ILE B 123 -4.573 -5.936 -13.902 1.00 72.13 H new ATOM 0 HG22 ILE B 123 -5.749 -5.430 -12.666 1.00 72.13 H new ATOM 0 HG23 ILE B 123 -4.710 -6.846 -12.378 1.00 72.13 H new ATOM 0 HD11 ILE B 123 -4.181 -8.890 -15.930 1.00 35.34 H new ATOM 0 HD12 ILE B 123 -5.042 -7.366 -16.250 1.00 35.34 H new ATOM 0 HD13 ILE B 123 -3.805 -7.437 -14.973 1.00 35.34 H new ATOM 1494 N GLN B 124 -7.597 -6.522 -10.630 1.00 13.41 N ATOM 1495 CA GLN B 124 -8.125 -5.518 -9.728 1.00 52.43 C ATOM 1496 C GLN B 124 -7.006 -4.642 -9.173 1.00 32.33 C ATOM 1497 O GLN B 124 -6.158 -5.111 -8.412 1.00 11.41 O ATOM 1498 CB GLN B 124 -8.873 -6.203 -8.588 1.00 31.23 C ATOM 1499 CG GLN B 124 -10.047 -7.039 -9.057 1.00 12.21 C ATOM 1500 CD GLN B 124 -10.809 -7.684 -7.917 1.00 63.04 C ATOM 1501 OE1 GLN B 124 -10.815 -7.040 -6.759 1.00 63.40 O flip ATOM 1502 NE2 GLN B 124 -11.387 -8.757 -8.075 1.00 51.41 N flip ATOM 0 H GLN B 124 -6.983 -7.203 -10.182 1.00 13.41 H new ATOM 0 HA GLN B 124 -8.812 -4.877 -10.280 1.00 52.43 H new ATOM 0 HB2 GLN B 124 -8.179 -6.839 -8.039 1.00 31.23 H new ATOM 0 HB3 GLN B 124 -9.231 -5.445 -7.891 1.00 31.23 H new ATOM 0 HG2 GLN B 124 -10.727 -6.410 -9.631 1.00 12.21 H new ATOM 0 HG3 GLN B 124 -9.686 -7.816 -9.731 1.00 12.21 H new ATOM 0 HE21 GLN B 124 -11.359 -9.222 -8.982 1.00 51.41 H new ATOM 0 HE22 GLN B 124 -11.894 -9.182 -7.299 1.00 51.41 H new ATOM 1511 N GLU B 125 -7.013 -3.373 -9.555 1.00 25.10 N ATOM 1512 CA GLU B 125 -5.996 -2.426 -9.109 1.00 22.23 C ATOM 1513 C GLU B 125 -6.408 -1.773 -7.789 1.00 12.42 C ATOM 1514 O GLU B 125 -7.371 -1.003 -7.744 1.00 35.52 O ATOM 1515 CB GLU B 125 -5.772 -1.350 -10.176 1.00 52.31 C ATOM 1516 CG GLU B 125 -5.418 -1.905 -11.549 1.00 72.13 C ATOM 1517 CD GLU B 125 -5.253 -0.817 -12.589 1.00 24.44 C ATOM 1518 OE1 GLU B 125 -6.220 -0.067 -12.826 1.00 51.33 O ATOM 1519 OE2 GLU B 125 -4.149 -0.691 -13.166 1.00 20.13 O ATOM 0 H GLU B 125 -7.715 -2.972 -10.176 1.00 25.10 H new ATOM 0 HA GLU B 125 -5.065 -2.971 -8.951 1.00 22.23 H new ATOM 0 HB2 GLU B 125 -6.674 -0.744 -10.262 1.00 52.31 H new ATOM 0 HB3 GLU B 125 -4.973 -0.686 -9.846 1.00 52.31 H new ATOM 0 HG2 GLU B 125 -4.494 -2.479 -11.478 1.00 72.13 H new ATOM 0 HG3 GLU B 125 -6.198 -2.595 -11.870 1.00 72.13 H new ATOM 1526 N TYR B 126 -5.685 -2.089 -6.722 1.00 33.10 N ATOM 1527 CA TYR B 126 -5.974 -1.537 -5.405 1.00 12.42 C ATOM 1528 C TYR B 126 -5.237 -0.219 -5.189 1.00 63.43 C ATOM 1529 O TYR B 126 -4.005 -0.188 -5.094 1.00 51.11 O ATOM 1530 CB TYR B 126 -5.590 -2.530 -4.304 1.00 11.03 C ATOM 1531 CG TYR B 126 -6.647 -3.567 -4.014 1.00 63.13 C ATOM 1532 CD1 TYR B 126 -6.748 -4.734 -4.766 1.00 11.23 C ATOM 1533 CD2 TYR B 126 -7.553 -3.374 -2.982 1.00 10.34 C ATOM 1534 CE1 TYR B 126 -7.726 -5.673 -4.493 1.00 32.02 C ATOM 1535 CE2 TYR B 126 -8.526 -4.307 -2.704 1.00 73.43 C ATOM 1536 CZ TYR B 126 -8.614 -5.450 -3.459 1.00 21.12 C ATOM 1537 OH TYR B 126 -9.598 -6.369 -3.181 1.00 41.01 O ATOM 0 H TYR B 126 -4.890 -2.728 -6.744 1.00 33.10 H new ATOM 0 HA TYR B 126 -7.047 -1.349 -5.355 1.00 12.42 H new ATOM 0 HB2 TYR B 126 -4.669 -3.036 -4.591 1.00 11.03 H new ATOM 0 HB3 TYR B 126 -5.378 -1.977 -3.389 1.00 11.03 H new ATOM 0 HD1 TYR B 126 -6.053 -4.909 -5.574 1.00 11.23 H new ATOM 0 HD2 TYR B 126 -7.494 -2.475 -2.386 1.00 10.34 H new ATOM 0 HE1 TYR B 126 -7.795 -6.574 -5.084 1.00 32.02 H new ATOM 0 HE2 TYR B 126 -9.219 -4.140 -1.893 1.00 73.43 H new ATOM 0 HH TYR B 126 -10.406 -5.903 -2.881 1.00 41.01 H new ATOM 1547 N ARG B 127 -5.995 0.865 -5.103 1.00 21.03 N ATOM 1548 CA ARG B 127 -5.423 2.192 -4.914 1.00 5.02 C ATOM 1549 C ARG B 127 -6.159 2.926 -3.799 1.00 31.45 C ATOM 1550 O ARG B 127 -7.384 3.006 -3.811 1.00 44.31 O ATOM 1551 CB ARG B 127 -5.497 2.988 -6.219 1.00 31.42 C ATOM 1552 CG ARG B 127 -4.626 2.405 -7.322 1.00 31.01 C ATOM 1553 CD ARG B 127 -4.762 3.170 -8.624 1.00 42.03 C ATOM 1554 NE ARG B 127 -6.036 2.911 -9.295 1.00 63.14 N ATOM 1555 CZ ARG B 127 -6.401 3.500 -10.433 1.00 43.44 C ATOM 1556 NH1 ARG B 127 -5.587 4.370 -11.020 1.00 73.04 N ATOM 1557 NH2 ARG B 127 -7.566 3.208 -10.996 1.00 22.14 N ATOM 0 H ARG B 127 -7.013 0.852 -5.161 1.00 21.03 H new ATOM 0 HA ARG B 127 -4.376 2.089 -4.630 1.00 5.02 H new ATOM 0 HB2 ARG B 127 -6.532 3.021 -6.560 1.00 31.42 H new ATOM 0 HB3 ARG B 127 -5.192 4.017 -6.028 1.00 31.42 H new ATOM 0 HG2 ARG B 127 -3.584 2.416 -7.003 1.00 31.01 H new ATOM 0 HG3 ARG B 127 -4.899 1.362 -7.485 1.00 31.01 H new ATOM 0 HD2 ARG B 127 -4.670 4.238 -8.426 1.00 42.03 H new ATOM 0 HD3 ARG B 127 -3.943 2.898 -9.289 1.00 42.03 H new ATOM 0 HE ARG B 127 -6.679 2.244 -8.869 1.00 63.14 H new ATOM 0 HH11 ARG B 127 -4.683 4.587 -10.600 1.00 73.04 H new ATOM 0 HH12 ARG B 127 -5.866 4.821 -11.891 1.00 73.04 H new ATOM 0 HH21 ARG B 127 -8.188 2.529 -10.558 1.00 22.14 H new ATOM 0 HH22 ARG B 127 -7.840 3.662 -11.867 1.00 22.14 H new ATOM 1571 N VAL B 128 -5.411 3.458 -2.836 1.00 52.10 N ATOM 1572 CA VAL B 128 -6.016 4.078 -1.656 1.00 25.22 C ATOM 1573 C VAL B 128 -6.056 5.602 -1.771 1.00 54.54 C ATOM 1574 O VAL B 128 -6.925 6.260 -1.198 1.00 42.21 O ATOM 1575 CB VAL B 128 -5.270 3.672 -0.361 1.00 33.34 C ATOM 1576 CG1 VAL B 128 -3.817 4.115 -0.402 1.00 61.51 C ATOM 1577 CG2 VAL B 128 -5.965 4.235 0.871 1.00 50.41 C ATOM 0 H VAL B 128 -4.391 3.474 -2.847 1.00 52.10 H new ATOM 0 HA VAL B 128 -7.041 3.711 -1.603 1.00 25.22 H new ATOM 0 HB VAL B 128 -5.291 2.584 -0.297 1.00 33.34 H new ATOM 0 HG11 VAL B 128 -3.319 3.816 0.520 1.00 61.51 H new ATOM 0 HG12 VAL B 128 -3.318 3.648 -1.251 1.00 61.51 H new ATOM 0 HG13 VAL B 128 -3.770 5.199 -0.505 1.00 61.51 H new ATOM 0 HG21 VAL B 128 -5.420 3.934 1.766 1.00 50.41 H new ATOM 0 HG22 VAL B 128 -5.990 5.323 0.810 1.00 50.41 H new ATOM 0 HG23 VAL B 128 -6.984 3.851 0.921 1.00 50.41 H new ATOM 1587 N ASN B 129 -5.120 6.158 -2.516 1.00 71.43 N ATOM 1588 CA ASN B 129 -5.044 7.602 -2.683 1.00 24.41 C ATOM 1589 C ASN B 129 -4.393 7.927 -4.019 1.00 0.20 C ATOM 1590 O ASN B 129 -3.475 8.740 -4.098 1.00 52.11 O ATOM 1591 CB ASN B 129 -4.251 8.233 -1.531 1.00 52.12 C ATOM 1592 CG ASN B 129 -5.002 9.376 -0.861 1.00 64.42 C ATOM 1593 OD1 ASN B 129 -4.885 10.531 -1.267 1.00 0.51 O ATOM 1594 ND2 ASN B 129 -5.780 9.066 0.171 1.00 64.22 N ATOM 0 H ASN B 129 -4.401 5.635 -3.016 1.00 71.43 H new ATOM 0 HA ASN B 129 -6.052 8.017 -2.669 1.00 24.41 H new ATOM 0 HB2 ASN B 129 -4.024 7.468 -0.789 1.00 52.12 H new ATOM 0 HB3 ASN B 129 -3.298 8.602 -1.910 1.00 52.12 H new ATOM 0 HD21 ASN B 129 -6.303 9.797 0.653 1.00 64.22 H new ATOM 0 HD22 ASN B 129 -5.854 8.097 0.481 1.00 64.22 H new ATOM 1601 N GLY B 130 -4.865 7.257 -5.065 1.00 31.21 N ATOM 1602 CA GLY B 130 -4.307 7.449 -6.394 1.00 35.11 C ATOM 1603 C GLY B 130 -3.086 6.584 -6.648 1.00 63.52 C ATOM 1604 O GLY B 130 -2.737 6.312 -7.798 1.00 13.12 O ATOM 0 H GLY B 130 -5.627 6.581 -5.017 1.00 31.21 H new ATOM 0 HA2 GLY B 130 -5.069 7.222 -7.140 1.00 35.11 H new ATOM 0 HA3 GLY B 130 -4.037 8.497 -6.522 1.00 35.11 H new ATOM 1608 N PHE B 131 -2.445 6.140 -5.578 1.00 72.41 N ATOM 1609 CA PHE B 131 -1.222 5.365 -5.690 1.00 43.55 C ATOM 1610 C PHE B 131 -1.525 3.872 -5.567 1.00 51.00 C ATOM 1611 O PHE B 131 -2.238 3.446 -4.652 1.00 61.12 O ATOM 1612 CB PHE B 131 -0.229 5.806 -4.609 1.00 45.54 C ATOM 1613 CG PHE B 131 1.192 5.385 -4.868 1.00 11.44 C ATOM 1614 CD1 PHE B 131 1.942 6.009 -5.851 1.00 35.40 C ATOM 1615 CD2 PHE B 131 1.780 4.376 -4.125 1.00 4.05 C ATOM 1616 CE1 PHE B 131 3.249 5.632 -6.087 1.00 43.15 C ATOM 1617 CE2 PHE B 131 3.085 3.995 -4.355 1.00 23.24 C ATOM 1618 CZ PHE B 131 3.822 4.623 -5.337 1.00 41.44 C ATOM 0 H PHE B 131 -2.754 6.304 -4.620 1.00 72.41 H new ATOM 0 HA PHE B 131 -0.777 5.541 -6.669 1.00 43.55 H new ATOM 0 HB2 PHE B 131 -0.264 6.892 -4.521 1.00 45.54 H new ATOM 0 HB3 PHE B 131 -0.548 5.398 -3.650 1.00 45.54 H new ATOM 0 HD1 PHE B 131 1.500 6.799 -6.439 1.00 35.40 H new ATOM 0 HD2 PHE B 131 1.209 3.880 -3.354 1.00 4.05 H new ATOM 0 HE1 PHE B 131 3.823 6.125 -6.857 1.00 43.15 H new ATOM 0 HE2 PHE B 131 3.529 3.206 -3.767 1.00 23.24 H new ATOM 0 HZ PHE B 131 4.844 4.327 -5.519 1.00 41.44 H new ATOM 1628 N LEU B 132 -1.007 3.098 -6.511 1.00 42.32 N ATOM 1629 CA LEU B 132 -1.187 1.651 -6.531 1.00 54.10 C ATOM 1630 C LEU B 132 -0.377 1.008 -5.403 1.00 12.30 C ATOM 1631 O LEU B 132 0.793 1.345 -5.206 1.00 20.51 O ATOM 1632 CB LEU B 132 -0.745 1.116 -7.909 1.00 74.50 C ATOM 1633 CG LEU B 132 -1.117 -0.336 -8.259 1.00 11.52 C ATOM 1634 CD1 LEU B 132 -0.244 -1.335 -7.514 1.00 13.14 C ATOM 1635 CD2 LEU B 132 -2.585 -0.597 -7.973 1.00 40.33 C ATOM 0 H LEU B 132 -0.449 3.456 -7.286 1.00 42.32 H new ATOM 0 HA LEU B 132 -2.236 1.399 -6.372 1.00 54.10 H new ATOM 0 HB2 LEU B 132 -1.169 1.766 -8.674 1.00 74.50 H new ATOM 0 HB3 LEU B 132 0.339 1.211 -7.975 1.00 74.50 H new ATOM 0 HG LEU B 132 -0.939 -0.471 -9.326 1.00 11.52 H new ATOM 0 HD11 LEU B 132 -0.537 -2.349 -7.787 1.00 13.14 H new ATOM 0 HD12 LEU B 132 0.801 -1.175 -7.780 1.00 13.14 H new ATOM 0 HD13 LEU B 132 -0.370 -1.198 -6.440 1.00 13.14 H new ATOM 0 HD21 LEU B 132 -2.827 -1.629 -8.227 1.00 40.33 H new ATOM 0 HD22 LEU B 132 -2.785 -0.427 -6.915 1.00 40.33 H new ATOM 0 HD23 LEU B 132 -3.198 0.078 -8.571 1.00 40.33 H new ATOM 1647 N TYR B 133 -1.000 0.108 -4.647 1.00 21.24 N ATOM 1648 CA TYR B 133 -0.287 -0.588 -3.583 1.00 13.14 C ATOM 1649 C TYR B 133 -0.471 -2.103 -3.665 1.00 34.00 C ATOM 1650 O TYR B 133 0.276 -2.855 -3.043 1.00 14.13 O ATOM 1651 CB TYR B 133 -0.705 -0.065 -2.201 1.00 0.15 C ATOM 1652 CG TYR B 133 -2.159 -0.288 -1.829 1.00 1.43 C ATOM 1653 CD1 TYR B 133 -2.579 -1.489 -1.268 1.00 25.41 C ATOM 1654 CD2 TYR B 133 -3.103 0.713 -2.010 1.00 34.31 C ATOM 1655 CE1 TYR B 133 -3.896 -1.684 -0.899 1.00 74.11 C ATOM 1656 CE2 TYR B 133 -4.423 0.522 -1.647 1.00 13.25 C ATOM 1657 CZ TYR B 133 -4.814 -0.675 -1.090 1.00 61.33 C ATOM 1658 OH TYR B 133 -6.126 -0.861 -0.716 1.00 75.41 O ATOM 0 H TYR B 133 -1.981 -0.153 -4.749 1.00 21.24 H new ATOM 0 HA TYR B 133 0.774 -0.380 -3.723 1.00 13.14 H new ATOM 0 HB2 TYR B 133 -0.078 -0.541 -1.447 1.00 0.15 H new ATOM 0 HB3 TYR B 133 -0.497 1.004 -2.159 1.00 0.15 H new ATOM 0 HD1 TYR B 133 -1.863 -2.283 -1.118 1.00 25.41 H new ATOM 0 HD2 TYR B 133 -2.802 1.656 -2.441 1.00 34.31 H new ATOM 0 HE1 TYR B 133 -4.204 -2.623 -0.463 1.00 74.11 H new ATOM 0 HE2 TYR B 133 -5.146 1.310 -1.800 1.00 13.25 H new ATOM 0 HH TYR B 133 -6.642 -0.053 -0.918 1.00 75.41 H new ATOM 1668 N ALA B 134 -1.457 -2.552 -4.434 1.00 53.11 N ATOM 1669 CA ALA B 134 -1.712 -3.980 -4.581 1.00 43.10 C ATOM 1670 C ALA B 134 -2.528 -4.264 -5.833 1.00 10.43 C ATOM 1671 O ALA B 134 -3.318 -3.429 -6.271 1.00 51.20 O ATOM 1672 CB ALA B 134 -2.432 -4.525 -3.354 1.00 60.30 C ATOM 0 H ALA B 134 -2.090 -1.951 -4.963 1.00 53.11 H new ATOM 0 HA ALA B 134 -0.749 -4.482 -4.677 1.00 43.10 H new ATOM 0 HB1 ALA B 134 -2.613 -5.592 -3.483 1.00 60.30 H new ATOM 0 HB2 ALA B 134 -1.815 -4.366 -2.470 1.00 60.30 H new ATOM 0 HB3 ALA B 134 -3.383 -4.008 -3.231 1.00 60.30 H new ATOM 1678 N ILE B 135 -2.323 -5.435 -6.416 1.00 4.30 N ATOM 1679 CA ILE B 135 -3.088 -5.856 -7.581 1.00 31.55 C ATOM 1680 C ILE B 135 -3.629 -7.265 -7.367 1.00 1.53 C ATOM 1681 O ILE B 135 -2.877 -8.185 -7.059 1.00 42.54 O ATOM 1682 CB ILE B 135 -2.232 -5.829 -8.870 1.00 62.20 C ATOM 1683 CG1 ILE B 135 -1.652 -4.431 -9.101 1.00 43.15 C ATOM 1684 CG2 ILE B 135 -3.064 -6.263 -10.070 1.00 53.44 C ATOM 1685 CD1 ILE B 135 -0.727 -4.343 -10.296 1.00 20.33 C ATOM 0 H ILE B 135 -1.630 -6.114 -6.100 1.00 4.30 H new ATOM 0 HA ILE B 135 -3.912 -5.153 -7.704 1.00 31.55 H new ATOM 0 HB ILE B 135 -1.406 -6.529 -8.749 1.00 62.20 H new ATOM 0 HG12 ILE B 135 -2.472 -3.725 -9.235 1.00 43.15 H new ATOM 0 HG13 ILE B 135 -1.108 -4.122 -8.209 1.00 43.15 H new ATOM 0 HG21 ILE B 135 -2.447 -6.238 -10.968 1.00 53.44 H new ATOM 0 HG22 ILE B 135 -3.432 -7.276 -9.910 1.00 53.44 H new ATOM 0 HG23 ILE B 135 -3.909 -5.585 -10.191 1.00 53.44 H new ATOM 0 HD11 ILE B 135 -0.356 -3.323 -10.395 1.00 20.33 H new ATOM 0 HD12 ILE B 135 0.114 -5.023 -10.156 1.00 20.33 H new ATOM 0 HD13 ILE B 135 -1.271 -4.620 -11.199 1.00 20.33 H new ATOM 1697 N LYS B 136 -4.933 -7.428 -7.509 1.00 4.11 N ATOM 1698 CA LYS B 136 -5.551 -8.732 -7.340 1.00 4.31 C ATOM 1699 C LYS B 136 -5.906 -9.322 -8.696 1.00 31.21 C ATOM 1700 O LYS B 136 -6.740 -8.775 -9.412 1.00 20.03 O ATOM 1701 CB LYS B 136 -6.810 -8.620 -6.473 1.00 32.31 C ATOM 1702 CG LYS B 136 -7.539 -9.940 -6.278 1.00 3.54 C ATOM 1703 CD LYS B 136 -8.851 -9.748 -5.532 1.00 30.33 C ATOM 1704 CE LYS B 136 -9.565 -11.072 -5.310 1.00 0.35 C ATOM 1705 NZ LYS B 136 -10.874 -10.894 -4.627 1.00 72.42 N ATOM 0 H LYS B 136 -5.583 -6.676 -7.740 1.00 4.11 H new ATOM 0 HA LYS B 136 -4.840 -9.390 -6.840 1.00 4.31 H new ATOM 0 HB2 LYS B 136 -6.534 -8.220 -5.497 1.00 32.31 H new ATOM 0 HB3 LYS B 136 -7.492 -7.903 -6.930 1.00 32.31 H new ATOM 0 HG2 LYS B 136 -7.735 -10.396 -7.249 1.00 3.54 H new ATOM 0 HG3 LYS B 136 -6.902 -10.630 -5.725 1.00 3.54 H new ATOM 0 HD2 LYS B 136 -8.658 -9.272 -4.571 1.00 30.33 H new ATOM 0 HD3 LYS B 136 -9.497 -9.075 -6.097 1.00 30.33 H new ATOM 0 HE2 LYS B 136 -9.721 -11.564 -6.270 1.00 0.35 H new ATOM 0 HE3 LYS B 136 -8.932 -11.729 -4.714 1.00 0.35 H new ATOM 0 HZ1 LYS B 136 -11.326 -11.821 -4.496 1.00 72.42 H new ATOM 0 HZ2 LYS B 136 -10.724 -10.448 -3.700 1.00 72.42 H new ATOM 0 HZ3 LYS B 136 -11.489 -10.288 -5.207 1.00 72.42 H new ATOM 1719 N VAL B 137 -5.261 -10.416 -9.060 1.00 24.12 N ATOM 1720 CA VAL B 137 -5.598 -11.106 -10.293 1.00 25.15 C ATOM 1721 C VAL B 137 -6.547 -12.245 -9.981 1.00 44.52 C ATOM 1722 O VAL B 137 -6.302 -13.020 -9.059 1.00 55.10 O ATOM 1723 CB VAL B 137 -4.367 -11.696 -11.013 1.00 32.03 C ATOM 1724 CG1 VAL B 137 -4.698 -12.029 -12.462 1.00 54.53 C ATOM 1725 CG2 VAL B 137 -3.179 -10.763 -10.935 1.00 53.34 C ATOM 0 H VAL B 137 -4.506 -10.844 -8.524 1.00 24.12 H new ATOM 0 HA VAL B 137 -6.051 -10.366 -10.953 1.00 25.15 H new ATOM 0 HB VAL B 137 -4.096 -12.619 -10.501 1.00 32.03 H new ATOM 0 HG11 VAL B 137 -3.816 -12.443 -12.951 1.00 54.53 H new ATOM 0 HG12 VAL B 137 -5.506 -12.759 -12.492 1.00 54.53 H new ATOM 0 HG13 VAL B 137 -5.008 -11.123 -12.982 1.00 54.53 H new ATOM 0 HG21 VAL B 137 -2.330 -11.211 -11.452 1.00 53.34 H new ATOM 0 HG22 VAL B 137 -3.431 -9.813 -11.406 1.00 53.34 H new ATOM 0 HG23 VAL B 137 -2.918 -10.592 -9.890 1.00 53.34 H new ATOM 1735 N VAL B 138 -7.633 -12.333 -10.722 1.00 62.53 N ATOM 1736 CA VAL B 138 -8.519 -13.480 -10.631 1.00 0.10 C ATOM 1737 C VAL B 138 -8.525 -14.238 -11.957 1.00 34.02 C ATOM 1738 O VAL B 138 -9.454 -14.105 -12.757 1.00 31.03 O ATOM 1739 CB VAL B 138 -9.965 -13.071 -10.260 1.00 23.55 C ATOM 1740 CG1 VAL B 138 -10.832 -14.295 -10.002 1.00 20.40 C ATOM 1741 CG2 VAL B 138 -9.976 -12.150 -9.050 1.00 52.44 C ATOM 0 H VAL B 138 -7.925 -11.624 -11.395 1.00 62.53 H new ATOM 0 HA VAL B 138 -8.141 -14.122 -9.835 1.00 0.10 H new ATOM 0 HB VAL B 138 -10.383 -12.530 -11.109 1.00 23.55 H new ATOM 0 HG11 VAL B 138 -11.842 -13.977 -9.744 1.00 20.40 H new ATOM 0 HG12 VAL B 138 -10.864 -14.914 -10.899 1.00 20.40 H new ATOM 0 HG13 VAL B 138 -10.411 -14.872 -9.178 1.00 20.40 H new ATOM 0 HG21 VAL B 138 -11.004 -11.877 -8.810 1.00 52.44 H new ATOM 0 HG22 VAL B 138 -9.528 -12.662 -8.199 1.00 52.44 H new ATOM 0 HG23 VAL B 138 -9.404 -11.249 -9.273 1.00 52.44 H new ATOM 1751 N PRO B 139 -7.444 -14.985 -12.246 1.00 50.00 N ATOM 1752 CA PRO B 139 -7.369 -15.809 -13.442 1.00 33.43 C ATOM 1753 C PRO B 139 -8.229 -17.065 -13.334 1.00 54.01 C ATOM 1754 O PRO B 139 -8.186 -17.782 -12.334 1.00 34.22 O ATOM 1755 CB PRO B 139 -5.886 -16.169 -13.554 1.00 22.10 C ATOM 1756 CG PRO B 139 -5.330 -16.027 -12.177 1.00 14.55 C ATOM 1757 CD PRO B 139 -6.208 -15.049 -11.446 1.00 32.22 C ATOM 0 HA PRO B 139 -7.748 -15.283 -14.319 1.00 33.43 H new ATOM 0 HB2 PRO B 139 -5.757 -17.186 -13.925 1.00 22.10 H new ATOM 0 HB3 PRO B 139 -5.374 -15.507 -14.253 1.00 22.10 H new ATOM 0 HG2 PRO B 139 -5.316 -16.990 -11.666 1.00 14.55 H new ATOM 0 HG3 PRO B 139 -4.301 -15.670 -12.212 1.00 14.55 H new ATOM 0 HD2 PRO B 139 -6.412 -15.383 -10.429 1.00 32.22 H new ATOM 0 HD3 PRO B 139 -5.734 -14.070 -11.371 1.00 32.22 H new ATOM 1765 N LYS B 140 -9.011 -17.310 -14.376 1.00 22.05 N ATOM 1766 CA LYS B 140 -9.881 -18.478 -14.452 1.00 2.30 C ATOM 1767 C LYS B 140 -9.075 -19.767 -14.386 1.00 53.40 C ATOM 1768 O LYS B 140 -9.610 -20.837 -14.092 1.00 72.55 O ATOM 1769 CB LYS B 140 -10.680 -18.428 -15.749 1.00 24.05 C ATOM 1770 CG LYS B 140 -11.632 -17.253 -15.807 1.00 42.40 C ATOM 1771 CD LYS B 140 -12.357 -17.191 -17.132 1.00 32.11 C ATOM 1772 CE LYS B 140 -13.401 -18.284 -17.263 1.00 13.52 C ATOM 1773 NZ LYS B 140 -14.245 -18.090 -18.471 1.00 41.14 N ATOM 0 H LYS B 140 -9.061 -16.704 -15.195 1.00 22.05 H new ATOM 0 HA LYS B 140 -10.560 -18.463 -13.600 1.00 2.30 H new ATOM 0 HB2 LYS B 140 -9.992 -18.374 -16.592 1.00 24.05 H new ATOM 0 HB3 LYS B 140 -11.245 -19.353 -15.858 1.00 24.05 H new ATOM 0 HG2 LYS B 140 -12.358 -17.331 -14.998 1.00 42.40 H new ATOM 0 HG3 LYS B 140 -11.079 -16.327 -15.650 1.00 42.40 H new ATOM 0 HD2 LYS B 140 -12.837 -16.218 -17.237 1.00 32.11 H new ATOM 0 HD3 LYS B 140 -11.635 -17.280 -17.944 1.00 32.11 H new ATOM 0 HE2 LYS B 140 -12.908 -19.255 -17.314 1.00 13.52 H new ATOM 0 HE3 LYS B 140 -14.032 -18.294 -16.375 1.00 13.52 H new ATOM 0 HZ1 LYS B 140 -14.948 -18.854 -18.530 1.00 41.14 H new ATOM 0 HZ2 LYS B 140 -14.734 -17.174 -18.409 1.00 41.14 H new ATOM 0 HZ3 LYS B 140 -13.645 -18.106 -19.320 1.00 41.14 H new ATOM 1787 N HIS B 141 -7.788 -19.655 -14.676 1.00 13.01 N ATOM 1788 CA HIS B 141 -6.886 -20.788 -14.625 1.00 2.25 C ATOM 1789 C HIS B 141 -5.646 -20.411 -13.826 1.00 41.41 C ATOM 1790 O HIS B 141 -4.795 -19.660 -14.306 1.00 63.14 O ATOM 1791 CB HIS B 141 -6.491 -21.228 -16.038 1.00 40.24 C ATOM 1792 CG HIS B 141 -7.657 -21.438 -16.953 1.00 13.34 C ATOM 1793 ND1 HIS B 141 -8.508 -22.514 -16.854 1.00 33.13 N ATOM 1794 CD2 HIS B 141 -8.127 -20.682 -17.972 1.00 24.42 C ATOM 1795 CE1 HIS B 141 -9.451 -22.410 -17.771 1.00 1.55 C ATOM 1796 NE2 HIS B 141 -9.244 -21.305 -18.462 1.00 22.41 N ATOM 0 H HIS B 141 -7.344 -18.779 -14.952 1.00 13.01 H new ATOM 0 HA HIS B 141 -7.392 -21.622 -14.138 1.00 2.25 H new ATOM 0 HB2 HIS B 141 -5.832 -20.476 -16.472 1.00 40.24 H new ATOM 0 HB3 HIS B 141 -5.920 -22.154 -15.974 1.00 40.24 H new ATOM 0 HD2 HIS B 141 -7.700 -19.758 -18.332 1.00 24.42 H new ATOM 0 HE1 HIS B 141 -10.257 -23.111 -17.929 1.00 1.55 H new ATOM 0 HE2 HIS B 141 -9.821 -20.970 -19.234 1.00 22.41 H new ATOM 1805 N GLY B 142 -5.558 -20.915 -12.606 1.00 12.21 N ATOM 1806 CA GLY B 142 -4.448 -20.569 -11.739 1.00 0.43 C ATOM 1807 C GLY B 142 -4.907 -20.020 -10.403 1.00 41.31 C ATOM 1808 O GLY B 142 -4.101 -19.876 -9.480 1.00 61.14 O ATOM 0 H GLY B 142 -6.236 -21.559 -12.198 1.00 12.21 H new ATOM 0 HA2 GLY B 142 -3.831 -21.452 -11.573 1.00 0.43 H new ATOM 0 HA3 GLY B 142 -3.819 -19.830 -12.236 1.00 0.43 H new ATOM 1812 N LYS B 143 -6.208 -19.725 -10.313 1.00 72.42 N ATOM 1813 CA LYS B 143 -6.840 -19.202 -9.096 1.00 55.21 C ATOM 1814 C LYS B 143 -6.463 -17.745 -8.825 1.00 22.23 C ATOM 1815 O LYS B 143 -5.389 -17.282 -9.206 1.00 42.22 O ATOM 1816 CB LYS B 143 -6.507 -20.063 -7.877 1.00 44.40 C ATOM 1817 CG LYS B 143 -7.212 -21.407 -7.862 1.00 2.01 C ATOM 1818 CD LYS B 143 -6.984 -22.115 -6.541 1.00 74.32 C ATOM 1819 CE LYS B 143 -7.442 -21.252 -5.375 1.00 33.02 C ATOM 1820 NZ LYS B 143 -7.119 -21.863 -4.058 1.00 40.43 N ATOM 0 H LYS B 143 -6.858 -19.843 -11.090 1.00 72.42 H new ATOM 0 HA LYS B 143 -7.915 -19.242 -9.270 1.00 55.21 H new ATOM 0 HB2 LYS B 143 -5.430 -20.228 -7.845 1.00 44.40 H new ATOM 0 HB3 LYS B 143 -6.773 -19.514 -6.973 1.00 44.40 H new ATOM 0 HG2 LYS B 143 -8.280 -21.265 -8.025 1.00 2.01 H new ATOM 0 HG3 LYS B 143 -6.844 -22.026 -8.681 1.00 2.01 H new ATOM 0 HD2 LYS B 143 -7.525 -23.061 -6.533 1.00 74.32 H new ATOM 0 HD3 LYS B 143 -5.926 -22.352 -6.429 1.00 74.32 H new ATOM 0 HE2 LYS B 143 -6.970 -20.272 -5.444 1.00 33.02 H new ATOM 0 HE3 LYS B 143 -8.518 -21.093 -5.445 1.00 33.02 H new ATOM 0 HZ1 LYS B 143 -6.863 -21.115 -3.382 1.00 40.43 H new ATOM 0 HZ2 LYS B 143 -7.948 -22.382 -3.704 1.00 40.43 H new ATOM 0 HZ3 LYS B 143 -6.320 -22.519 -4.167 1.00 40.43 H new ATOM 1834 N PRO B 144 -7.368 -17.000 -8.170 1.00 41.00 N ATOM 1835 CA PRO B 144 -7.137 -15.596 -7.821 1.00 60.31 C ATOM 1836 C PRO B 144 -6.060 -15.428 -6.754 1.00 42.22 C ATOM 1837 O PRO B 144 -6.016 -16.176 -5.776 1.00 14.21 O ATOM 1838 CB PRO B 144 -8.494 -15.130 -7.288 1.00 12.30 C ATOM 1839 CG PRO B 144 -9.166 -16.370 -6.815 1.00 43.10 C ATOM 1840 CD PRO B 144 -8.694 -17.469 -7.724 1.00 43.15 C ATOM 0 HA PRO B 144 -6.780 -15.022 -8.676 1.00 60.31 H new ATOM 0 HB2 PRO B 144 -8.374 -14.412 -6.477 1.00 12.30 H new ATOM 0 HB3 PRO B 144 -9.076 -14.638 -8.067 1.00 12.30 H new ATOM 0 HG2 PRO B 144 -8.907 -16.583 -5.778 1.00 43.10 H new ATOM 0 HG3 PRO B 144 -10.250 -16.267 -6.858 1.00 43.10 H new ATOM 0 HD2 PRO B 144 -8.627 -18.423 -7.200 1.00 43.15 H new ATOM 0 HD3 PRO B 144 -9.372 -17.614 -8.565 1.00 43.15 H new ATOM 1848 N TYR B 145 -5.196 -14.441 -6.942 1.00 33.24 N ATOM 1849 CA TYR B 145 -4.140 -14.171 -5.987 1.00 11.12 C ATOM 1850 C TYR B 145 -3.892 -12.672 -5.870 1.00 25.52 C ATOM 1851 O TYR B 145 -4.066 -11.924 -6.833 1.00 3.11 O ATOM 1852 CB TYR B 145 -2.844 -14.894 -6.382 1.00 35.32 C ATOM 1853 CG TYR B 145 -2.184 -14.377 -7.648 1.00 13.00 C ATOM 1854 CD1 TYR B 145 -2.560 -14.848 -8.898 1.00 44.24 C ATOM 1855 CD2 TYR B 145 -1.171 -13.422 -7.584 1.00 34.13 C ATOM 1856 CE1 TYR B 145 -1.948 -14.386 -10.051 1.00 42.33 C ATOM 1857 CE2 TYR B 145 -0.551 -12.955 -8.730 1.00 73.30 C ATOM 1858 CZ TYR B 145 -0.945 -13.442 -9.963 1.00 34.11 C ATOM 1859 OH TYR B 145 -0.330 -12.988 -11.114 1.00 32.42 O ATOM 0 H TYR B 145 -5.208 -13.816 -7.748 1.00 33.24 H new ATOM 0 HA TYR B 145 -4.461 -14.549 -5.016 1.00 11.12 H new ATOM 0 HB2 TYR B 145 -2.134 -14.811 -5.559 1.00 35.32 H new ATOM 0 HB3 TYR B 145 -3.061 -15.954 -6.510 1.00 35.32 H new ATOM 0 HD1 TYR B 145 -3.343 -15.588 -8.973 1.00 44.24 H new ATOM 0 HD2 TYR B 145 -0.864 -13.039 -6.622 1.00 34.13 H new ATOM 0 HE1 TYR B 145 -2.254 -14.763 -11.016 1.00 42.33 H new ATOM 0 HE2 TYR B 145 0.234 -12.216 -8.662 1.00 73.30 H new ATOM 0 HH TYR B 145 0.353 -12.325 -10.880 1.00 32.42 H new ATOM 1869 N PHE B 146 -3.502 -12.243 -4.683 1.00 43.13 N ATOM 1870 CA PHE B 146 -3.138 -10.856 -4.455 1.00 12.30 C ATOM 1871 C PHE B 146 -1.648 -10.661 -4.699 1.00 34.42 C ATOM 1872 O PHE B 146 -0.823 -11.416 -4.185 1.00 41.23 O ATOM 1873 CB PHE B 146 -3.482 -10.430 -3.023 1.00 74.44 C ATOM 1874 CG PHE B 146 -4.955 -10.319 -2.746 1.00 72.34 C ATOM 1875 CD1 PHE B 146 -5.713 -11.446 -2.475 1.00 44.05 C ATOM 1876 CD2 PHE B 146 -5.575 -9.080 -2.744 1.00 43.51 C ATOM 1877 CE1 PHE B 146 -7.064 -11.339 -2.209 1.00 1.54 C ATOM 1878 CE2 PHE B 146 -6.926 -8.968 -2.479 1.00 43.14 C ATOM 1879 CZ PHE B 146 -7.672 -10.097 -2.211 1.00 41.52 C ATOM 0 H PHE B 146 -3.429 -12.839 -3.858 1.00 43.13 H new ATOM 0 HA PHE B 146 -3.706 -10.237 -5.150 1.00 12.30 H new ATOM 0 HB2 PHE B 146 -3.047 -11.149 -2.329 1.00 74.44 H new ATOM 0 HB3 PHE B 146 -3.013 -9.467 -2.821 1.00 74.44 H new ATOM 0 HD1 PHE B 146 -5.243 -12.418 -2.472 1.00 44.05 H new ATOM 0 HD2 PHE B 146 -4.996 -8.192 -2.952 1.00 43.51 H new ATOM 0 HE1 PHE B 146 -7.645 -12.225 -2.000 1.00 1.54 H new ATOM 0 HE2 PHE B 146 -7.398 -7.997 -2.482 1.00 43.14 H new ATOM 0 HZ PHE B 146 -8.728 -10.011 -2.003 1.00 41.52 H new ATOM 1889 N LEU B 147 -1.312 -9.673 -5.502 1.00 12.13 N ATOM 1890 CA LEU B 147 0.072 -9.300 -5.716 1.00 31.14 C ATOM 1891 C LEU B 147 0.328 -7.965 -5.028 1.00 65.02 C ATOM 1892 O LEU B 147 0.059 -6.898 -5.584 1.00 53.23 O ATOM 1893 CB LEU B 147 0.376 -9.214 -7.216 1.00 53.42 C ATOM 1894 CG LEU B 147 1.854 -9.105 -7.585 1.00 65.54 C ATOM 1895 CD1 LEU B 147 2.618 -10.340 -7.138 1.00 74.41 C ATOM 1896 CD2 LEU B 147 2.015 -8.894 -9.083 1.00 41.14 C ATOM 0 H LEU B 147 -1.985 -9.109 -6.022 1.00 12.13 H new ATOM 0 HA LEU B 147 0.732 -10.056 -5.291 1.00 31.14 H new ATOM 0 HB2 LEU B 147 -0.037 -10.097 -7.703 1.00 53.42 H new ATOM 0 HB3 LEU B 147 -0.147 -8.350 -7.625 1.00 53.42 H new ATOM 0 HG LEU B 147 2.270 -8.242 -7.065 1.00 65.54 H new ATOM 0 HD11 LEU B 147 3.668 -10.238 -7.413 1.00 74.41 H new ATOM 0 HD12 LEU B 147 2.535 -10.448 -6.057 1.00 74.41 H new ATOM 0 HD13 LEU B 147 2.200 -11.222 -7.624 1.00 74.41 H new ATOM 0 HD21 LEU B 147 3.074 -8.819 -9.328 1.00 41.14 H new ATOM 0 HD22 LEU B 147 1.578 -9.737 -9.618 1.00 41.14 H new ATOM 0 HD23 LEU B 147 1.508 -7.975 -9.378 1.00 41.14 H new ATOM 1908 N VAL B 148 0.798 -8.039 -3.792 1.00 74.23 N ATOM 1909 CA VAL B 148 0.978 -6.855 -2.966 1.00 44.41 C ATOM 1910 C VAL B 148 2.307 -6.187 -3.276 1.00 40.04 C ATOM 1911 O VAL B 148 3.329 -6.853 -3.417 1.00 65.32 O ATOM 1912 CB VAL B 148 0.916 -7.205 -1.460 1.00 21.53 C ATOM 1913 CG1 VAL B 148 0.986 -5.946 -0.606 1.00 24.45 C ATOM 1914 CG2 VAL B 148 -0.345 -7.992 -1.143 1.00 43.50 C ATOM 0 H VAL B 148 1.063 -8.912 -3.337 1.00 74.23 H new ATOM 0 HA VAL B 148 0.164 -6.168 -3.197 1.00 44.41 H new ATOM 0 HB VAL B 148 1.780 -7.826 -1.223 1.00 21.53 H new ATOM 0 HG11 VAL B 148 0.941 -6.219 0.448 1.00 24.45 H new ATOM 0 HG12 VAL B 148 1.921 -5.423 -0.806 1.00 24.45 H new ATOM 0 HG13 VAL B 148 0.147 -5.295 -0.849 1.00 24.45 H new ATOM 0 HG21 VAL B 148 -0.369 -8.228 -0.079 1.00 43.50 H new ATOM 0 HG22 VAL B 148 -1.220 -7.397 -1.402 1.00 43.50 H new ATOM 0 HG23 VAL B 148 -0.351 -8.917 -1.720 1.00 43.50 H new ATOM 1924 N ARG B 149 2.288 -4.876 -3.393 1.00 23.24 N ATOM 1925 CA ARG B 149 3.496 -4.120 -3.658 1.00 31.10 C ATOM 1926 C ARG B 149 4.142 -3.752 -2.324 1.00 3.24 C ATOM 1927 O ARG B 149 3.526 -3.082 -1.495 1.00 51.42 O ATOM 1928 CB ARG B 149 3.140 -2.876 -4.483 1.00 43.21 C ATOM 1929 CG ARG B 149 4.315 -2.191 -5.172 1.00 32.52 C ATOM 1930 CD ARG B 149 5.183 -1.412 -4.198 1.00 51.42 C ATOM 1931 NE ARG B 149 4.388 -0.716 -3.185 1.00 72.31 N ATOM 1932 CZ ARG B 149 3.564 0.302 -3.432 1.00 64.23 C ATOM 1933 NH1 ARG B 149 3.470 0.810 -4.656 1.00 61.34 N ATOM 1934 NH2 ARG B 149 2.840 0.815 -2.446 1.00 63.12 N ATOM 0 H ARG B 149 1.445 -4.308 -3.308 1.00 23.24 H new ATOM 0 HA ARG B 149 4.210 -4.709 -4.234 1.00 31.10 H new ATOM 0 HB2 ARG B 149 2.411 -3.160 -5.242 1.00 43.21 H new ATOM 0 HB3 ARG B 149 2.653 -2.153 -3.828 1.00 43.21 H new ATOM 0 HG2 ARG B 149 4.924 -2.941 -5.678 1.00 32.52 H new ATOM 0 HG3 ARG B 149 3.939 -1.515 -5.940 1.00 32.52 H new ATOM 0 HD2 ARG B 149 5.878 -2.094 -3.707 1.00 51.42 H new ATOM 0 HD3 ARG B 149 5.783 -0.687 -4.748 1.00 51.42 H new ATOM 0 HE ARG B 149 4.471 -1.033 -2.219 1.00 72.31 H new ATOM 0 HH11 ARG B 149 4.031 0.421 -5.414 1.00 61.34 H new ATOM 0 HH12 ARG B 149 2.837 1.589 -4.838 1.00 61.34 H new ATOM 0 HH21 ARG B 149 2.916 0.430 -1.504 1.00 63.12 H new ATOM 0 HH22 ARG B 149 2.208 1.594 -2.629 1.00 63.12 H new ATOM 1948 N ALA B 150 5.381 -4.193 -2.128 1.00 33.51 N ATOM 1949 CA ALA B 150 6.060 -4.040 -0.842 1.00 23.32 C ATOM 1950 C ALA B 150 6.545 -2.609 -0.628 1.00 62.34 C ATOM 1951 O ALA B 150 6.253 -1.717 -1.421 1.00 30.11 O ATOM 1952 CB ALA B 150 7.226 -5.018 -0.752 1.00 0.33 C ATOM 0 H ALA B 150 5.938 -4.660 -2.844 1.00 33.51 H new ATOM 0 HA ALA B 150 5.342 -4.262 -0.052 1.00 23.32 H new ATOM 0 HB1 ALA B 150 7.728 -4.899 0.208 1.00 0.33 H new ATOM 0 HB2 ALA B 150 6.853 -6.038 -0.842 1.00 0.33 H new ATOM 0 HB3 ALA B 150 7.932 -4.817 -1.558 1.00 0.33 H new ATOM 1958 N ASP B 151 7.281 -2.393 0.450 1.00 71.40 N ATOM 1959 CA ASP B 151 7.806 -1.071 0.761 1.00 42.33 C ATOM 1960 C ASP B 151 8.983 -0.743 -0.148 1.00 4.15 C ATOM 1961 O ASP B 151 9.745 -1.631 -0.543 1.00 22.42 O ATOM 1962 CB ASP B 151 8.224 -0.994 2.234 1.00 31.52 C ATOM 1963 CG ASP B 151 9.361 -1.937 2.579 1.00 14.33 C ATOM 1964 OD1 ASP B 151 9.127 -3.161 2.621 1.00 52.24 O ATOM 1965 OD2 ASP B 151 10.486 -1.453 2.832 1.00 71.21 O ATOM 0 H ASP B 151 7.529 -3.116 1.126 1.00 71.40 H new ATOM 0 HA ASP B 151 7.021 -0.335 0.589 1.00 42.33 H new ATOM 0 HB2 ASP B 151 8.523 0.028 2.468 1.00 31.52 H new ATOM 0 HB3 ASP B 151 7.364 -1.226 2.862 1.00 31.52 H new ATOM 1970 N GLY B 152 9.123 0.528 -0.496 1.00 50.31 N ATOM 1971 CA GLY B 152 10.179 0.931 -1.388 1.00 22.42 C ATOM 1972 C GLY B 152 9.730 0.919 -2.833 1.00 41.04 C ATOM 1973 O GLY B 152 9.051 -0.006 -3.277 1.00 0.40 O ATOM 0 H GLY B 152 8.521 1.285 -0.173 1.00 50.31 H new ATOM 0 HA2 GLY B 152 10.518 1.932 -1.121 1.00 22.42 H new ATOM 0 HA3 GLY B 152 11.032 0.263 -1.267 1.00 22.42 H new ATOM 1977 N SER B 153 10.105 1.948 -3.562 1.00 23.31 N ATOM 1978 CA SER B 153 9.778 2.061 -4.978 1.00 52.12 C ATOM 1979 C SER B 153 10.844 1.359 -5.825 1.00 44.42 C ATOM 1980 O SER B 153 11.172 1.796 -6.931 1.00 1.21 O ATOM 1981 CB SER B 153 9.666 3.540 -5.363 1.00 51.44 C ATOM 1982 OG SER B 153 9.149 3.693 -6.673 1.00 43.25 O ATOM 0 H SER B 153 10.645 2.732 -3.196 1.00 23.31 H new ATOM 0 HA SER B 153 8.820 1.576 -5.167 1.00 52.12 H new ATOM 0 HB2 SER B 153 9.020 4.055 -4.652 1.00 51.44 H new ATOM 0 HB3 SER B 153 10.648 4.010 -5.300 1.00 51.44 H new ATOM 0 HG SER B 153 9.636 3.105 -7.288 1.00 43.25 H new ATOM 1988 N ASP B 154 11.361 0.256 -5.295 1.00 60.24 N ATOM 1989 CA ASP B 154 12.403 -0.519 -5.961 1.00 44.24 C ATOM 1990 C ASP B 154 11.834 -1.320 -7.126 1.00 13.53 C ATOM 1991 O ASP B 154 12.377 -1.300 -8.229 1.00 1.41 O ATOM 1992 CB ASP B 154 13.069 -1.466 -4.959 1.00 64.24 C ATOM 1993 CG ASP B 154 14.012 -2.448 -5.625 1.00 43.21 C ATOM 1994 OD1 ASP B 154 15.121 -2.038 -6.025 1.00 13.14 O ATOM 1995 OD2 ASP B 154 13.657 -3.639 -5.739 1.00 13.11 O ATOM 0 H ASP B 154 11.071 -0.126 -4.395 1.00 60.24 H new ATOM 0 HA ASP B 154 13.144 0.177 -6.354 1.00 44.24 H new ATOM 0 HB2 ASP B 154 13.620 -0.881 -4.222 1.00 64.24 H new ATOM 0 HB3 ASP B 154 12.299 -2.017 -4.418 1.00 64.24 H new ATOM 2000 N GLY B 155 10.728 -2.005 -6.874 1.00 21.31 N ATOM 2001 CA GLY B 155 10.132 -2.855 -7.887 1.00 14.24 C ATOM 2002 C GLY B 155 9.990 -4.285 -7.414 1.00 24.11 C ATOM 2003 O GLY B 155 10.145 -5.224 -8.192 1.00 2.42 O ATOM 0 H GLY B 155 10.231 -1.988 -5.984 1.00 21.31 H new ATOM 0 HA2 GLY B 155 9.151 -2.464 -8.158 1.00 14.24 H new ATOM 0 HA3 GLY B 155 10.745 -2.830 -8.788 1.00 14.24 H new ATOM 2007 N ASN B 156 9.677 -4.449 -6.136 1.00 44.22 N ATOM 2008 CA ASN B 156 9.545 -5.771 -5.542 1.00 32.41 C ATOM 2009 C ASN B 156 8.139 -5.975 -4.997 1.00 63.44 C ATOM 2010 O ASN B 156 7.637 -5.163 -4.214 1.00 75.42 O ATOM 2011 CB ASN B 156 10.577 -5.963 -4.426 1.00 61.20 C ATOM 2012 CG ASN B 156 10.413 -7.277 -3.686 1.00 35.21 C ATOM 2013 OD1 ASN B 156 10.978 -8.297 -4.075 1.00 61.34 O ATOM 2014 ND2 ASN B 156 9.653 -7.260 -2.601 1.00 71.01 N ATOM 0 H ASN B 156 9.509 -3.679 -5.489 1.00 44.22 H new ATOM 0 HA ASN B 156 9.728 -6.514 -6.318 1.00 32.41 H new ATOM 0 HB2 ASN B 156 11.579 -5.916 -4.853 1.00 61.20 H new ATOM 0 HB3 ASN B 156 10.494 -5.140 -3.716 1.00 61.20 H new ATOM 0 HD21 ASN B 156 9.521 -8.113 -2.057 1.00 71.01 H new ATOM 0 HD22 ASN B 156 9.200 -6.394 -2.309 1.00 71.01 H new ATOM 2021 N PHE B 157 7.504 -7.054 -5.413 1.00 14.44 N ATOM 2022 CA PHE B 157 6.160 -7.368 -4.959 1.00 61.54 C ATOM 2023 C PHE B 157 6.178 -8.581 -4.040 1.00 54.14 C ATOM 2024 O PHE B 157 7.167 -9.308 -3.974 1.00 50.30 O ATOM 2025 CB PHE B 157 5.226 -7.622 -6.151 1.00 13.32 C ATOM 2026 CG PHE B 157 4.743 -6.371 -6.839 1.00 22.24 C ATOM 2027 CD1 PHE B 157 5.630 -5.516 -7.475 1.00 71.11 C ATOM 2028 CD2 PHE B 157 3.393 -6.057 -6.852 1.00 3.42 C ATOM 2029 CE1 PHE B 157 5.182 -4.375 -8.108 1.00 53.40 C ATOM 2030 CE2 PHE B 157 2.939 -4.915 -7.485 1.00 2.21 C ATOM 2031 CZ PHE B 157 3.835 -4.074 -8.114 1.00 71.41 C ATOM 0 H PHE B 157 7.898 -7.731 -6.067 1.00 14.44 H new ATOM 0 HA PHE B 157 5.783 -6.511 -4.402 1.00 61.54 H new ATOM 0 HB2 PHE B 157 5.746 -8.245 -6.879 1.00 13.32 H new ATOM 0 HB3 PHE B 157 4.362 -8.189 -5.806 1.00 13.32 H new ATOM 0 HD1 PHE B 157 6.685 -5.746 -7.475 1.00 71.11 H new ATOM 0 HD2 PHE B 157 2.688 -6.712 -6.362 1.00 3.42 H new ATOM 0 HE1 PHE B 157 5.885 -3.718 -8.598 1.00 53.40 H new ATOM 0 HE2 PHE B 157 1.885 -4.681 -7.487 1.00 2.21 H new ATOM 0 HZ PHE B 157 3.482 -3.182 -8.610 1.00 71.41 H new ATOM 2041 N ILE B 158 5.097 -8.771 -3.309 1.00 1.44 N ATOM 2042 CA ILE B 158 4.913 -9.959 -2.501 1.00 21.53 C ATOM 2043 C ILE B 158 3.639 -10.657 -2.941 1.00 25.23 C ATOM 2044 O ILE B 158 2.534 -10.148 -2.737 1.00 25.35 O ATOM 2045 CB ILE B 158 4.825 -9.641 -0.989 1.00 73.33 C ATOM 2046 CG1 ILE B 158 6.104 -8.949 -0.499 1.00 41.11 C ATOM 2047 CG2 ILE B 158 4.571 -10.918 -0.194 1.00 33.10 C ATOM 2048 CD1 ILE B 158 7.355 -9.790 -0.658 1.00 73.12 C ATOM 0 H ILE B 158 4.324 -8.108 -3.259 1.00 1.44 H new ATOM 0 HA ILE B 158 5.783 -10.599 -2.647 1.00 21.53 H new ATOM 0 HB ILE B 158 3.990 -8.958 -0.831 1.00 73.33 H new ATOM 0 HG12 ILE B 158 6.233 -8.015 -1.047 1.00 41.11 H new ATOM 0 HG13 ILE B 158 5.984 -8.688 0.552 1.00 41.11 H new ATOM 0 HG21 ILE B 158 4.511 -10.680 0.868 1.00 33.10 H new ATOM 0 HG22 ILE B 158 3.633 -11.368 -0.518 1.00 33.10 H new ATOM 0 HG23 ILE B 158 5.387 -11.620 -0.363 1.00 33.10 H new ATOM 0 HD11 ILE B 158 8.217 -9.233 -0.290 1.00 73.12 H new ATOM 0 HD12 ILE B 158 7.248 -10.713 -0.087 1.00 73.12 H new ATOM 0 HD13 ILE B 158 7.501 -10.030 -1.711 1.00 73.12 H new ATOM 2060 N ARG B 159 3.793 -11.795 -3.584 1.00 20.14 N ATOM 2061 CA ARG B 159 2.649 -12.559 -4.032 1.00 4.33 C ATOM 2062 C ARG B 159 2.015 -13.249 -2.836 1.00 2.53 C ATOM 2063 O ARG B 159 2.693 -13.951 -2.097 1.00 33.31 O ATOM 2064 CB ARG B 159 3.066 -13.582 -5.094 1.00 72.15 C ATOM 2065 CG ARG B 159 1.896 -14.155 -5.879 1.00 20.52 C ATOM 2066 CD ARG B 159 2.365 -15.015 -7.044 1.00 61.32 C ATOM 2067 NE ARG B 159 2.921 -16.293 -6.611 1.00 34.51 N ATOM 2068 CZ ARG B 159 3.882 -16.948 -7.262 1.00 31.15 C ATOM 2069 NH1 ARG B 159 4.449 -16.416 -8.338 1.00 1.44 N ATOM 2070 NH2 ARG B 159 4.271 -18.139 -6.837 1.00 12.32 N ATOM 0 H ARG B 159 4.697 -12.211 -3.808 1.00 20.14 H new ATOM 0 HA ARG B 159 1.920 -11.889 -4.488 1.00 4.33 H new ATOM 0 HB2 ARG B 159 3.762 -13.110 -5.788 1.00 72.15 H new ATOM 0 HB3 ARG B 159 3.602 -14.398 -4.610 1.00 72.15 H new ATOM 0 HG2 ARG B 159 1.270 -14.752 -5.215 1.00 20.52 H new ATOM 0 HG3 ARG B 159 1.276 -13.341 -6.254 1.00 20.52 H new ATOM 0 HD2 ARG B 159 1.527 -15.197 -7.717 1.00 61.32 H new ATOM 0 HD3 ARG B 159 3.118 -14.470 -7.613 1.00 61.32 H new ATOM 0 HE ARG B 159 2.551 -16.711 -5.757 1.00 34.51 H new ATOM 0 HH11 ARG B 159 4.150 -15.500 -8.672 1.00 1.44 H new ATOM 0 HH12 ARG B 159 5.184 -16.923 -8.831 1.00 1.44 H new ATOM 0 HH21 ARG B 159 3.836 -18.554 -6.013 1.00 12.32 H new ATOM 0 HH22 ARG B 159 5.006 -18.643 -7.333 1.00 12.32 H new ATOM 2084 N SER B 160 0.720 -13.034 -2.646 1.00 2.33 N ATOM 2085 CA SER B 160 -0.004 -13.615 -1.520 1.00 13.32 C ATOM 2086 C SER B 160 0.091 -15.141 -1.544 1.00 32.33 C ATOM 2087 O SER B 160 -0.078 -15.804 -0.526 1.00 13.03 O ATOM 2088 CB SER B 160 -1.467 -13.166 -1.556 1.00 24.13 C ATOM 2089 OG SER B 160 -2.167 -13.593 -0.403 1.00 32.24 O ATOM 0 H SER B 160 0.145 -12.458 -3.261 1.00 2.33 H new ATOM 0 HA SER B 160 0.450 -13.265 -0.593 1.00 13.32 H new ATOM 0 HB2 SER B 160 -1.514 -12.080 -1.630 1.00 24.13 H new ATOM 0 HB3 SER B 160 -1.951 -13.568 -2.447 1.00 24.13 H new ATOM 0 HG SER B 160 -3.064 -13.197 -0.399 1.00 32.24 H new ATOM 2095 N ASP B 161 0.368 -15.684 -2.723 1.00 12.41 N ATOM 2096 CA ASP B 161 0.586 -17.114 -2.897 1.00 24.21 C ATOM 2097 C ASP B 161 1.889 -17.557 -2.232 1.00 31.30 C ATOM 2098 O ASP B 161 2.007 -18.686 -1.754 1.00 42.04 O ATOM 2099 CB ASP B 161 0.624 -17.438 -4.394 1.00 25.33 C ATOM 2100 CG ASP B 161 1.272 -18.771 -4.702 1.00 73.40 C ATOM 2101 OD1 ASP B 161 0.561 -19.791 -4.734 1.00 31.45 O ATOM 2102 OD2 ASP B 161 2.501 -18.796 -4.931 1.00 14.21 O ATOM 0 H ASP B 161 0.448 -15.145 -3.585 1.00 12.41 H new ATOM 0 HA ASP B 161 -0.233 -17.654 -2.422 1.00 24.21 H new ATOM 0 HB2 ASP B 161 -0.394 -17.438 -4.785 1.00 25.33 H new ATOM 0 HB3 ASP B 161 1.166 -16.649 -4.916 1.00 25.33 H new ATOM 2107 N GLN B 162 2.858 -16.655 -2.182 1.00 71.12 N ATOM 2108 CA GLN B 162 4.181 -16.989 -1.690 1.00 51.34 C ATOM 2109 C GLN B 162 4.745 -15.840 -0.856 1.00 71.14 C ATOM 2110 O GLN B 162 5.526 -15.031 -1.354 1.00 12.05 O ATOM 2111 CB GLN B 162 5.116 -17.289 -2.869 1.00 11.43 C ATOM 2112 CG GLN B 162 6.426 -17.953 -2.473 1.00 45.51 C ATOM 2113 CD GLN B 162 6.285 -19.439 -2.192 1.00 33.15 C ATOM 2114 OE1 GLN B 162 5.107 -19.865 -1.759 1.00 11.31 O flip ATOM 2115 NE2 GLN B 162 7.228 -20.204 -2.383 1.00 65.43 N flip ATOM 0 H GLN B 162 2.750 -15.685 -2.477 1.00 71.12 H new ATOM 0 HA GLN B 162 4.106 -17.874 -1.058 1.00 51.34 H new ATOM 0 HB2 GLN B 162 4.595 -17.933 -3.577 1.00 11.43 H new ATOM 0 HB3 GLN B 162 5.337 -16.357 -3.389 1.00 11.43 H new ATOM 0 HG2 GLN B 162 7.154 -17.809 -3.271 1.00 45.51 H new ATOM 0 HG3 GLN B 162 6.823 -17.459 -1.586 1.00 45.51 H new ATOM 0 HE21 GLN B 162 8.120 -19.840 -2.717 1.00 65.43 H new ATOM 0 HE22 GLN B 162 7.118 -21.203 -2.208 1.00 65.43 H new ATOM 2124 N PRO B 163 4.346 -15.747 0.423 1.00 71.40 N ATOM 2125 CA PRO B 163 4.795 -14.671 1.312 1.00 32.25 C ATOM 2126 C PRO B 163 6.215 -14.898 1.826 1.00 72.15 C ATOM 2127 O PRO B 163 6.812 -14.024 2.458 1.00 11.12 O ATOM 2128 CB PRO B 163 3.791 -14.731 2.461 1.00 2.40 C ATOM 2129 CG PRO B 163 3.361 -16.158 2.515 1.00 24.44 C ATOM 2130 CD PRO B 163 3.417 -16.673 1.100 1.00 11.54 C ATOM 0 HA PRO B 163 4.830 -13.706 0.807 1.00 32.25 H new ATOM 0 HB2 PRO B 163 4.246 -14.419 3.401 1.00 2.40 H new ATOM 0 HB3 PRO B 163 2.944 -14.069 2.282 1.00 2.40 H new ATOM 0 HG2 PRO B 163 4.017 -16.737 3.165 1.00 24.44 H new ATOM 0 HG3 PRO B 163 2.353 -16.245 2.920 1.00 24.44 H new ATOM 0 HD2 PRO B 163 3.779 -17.701 1.063 1.00 11.54 H new ATOM 0 HD3 PRO B 163 2.433 -16.665 0.632 1.00 11.54 H new ATOM 2138 N ASP B 164 6.743 -16.082 1.550 1.00 1.33 N ATOM 2139 CA ASP B 164 8.098 -16.441 1.951 1.00 53.15 C ATOM 2140 C ASP B 164 9.112 -15.885 0.961 1.00 55.54 C ATOM 2141 O ASP B 164 10.283 -15.691 1.290 1.00 50.23 O ATOM 2142 CB ASP B 164 8.227 -17.966 2.035 1.00 31.22 C ATOM 2143 CG ASP B 164 9.641 -18.431 2.329 1.00 62.04 C ATOM 2144 OD1 ASP B 164 10.096 -18.287 3.483 1.00 2.43 O ATOM 2145 OD2 ASP B 164 10.300 -18.964 1.408 1.00 40.34 O ATOM 0 H ASP B 164 6.249 -16.818 1.045 1.00 1.33 H new ATOM 0 HA ASP B 164 8.300 -16.009 2.931 1.00 53.15 H new ATOM 0 HB2 ASP B 164 7.560 -18.338 2.813 1.00 31.22 H new ATOM 0 HB3 ASP B 164 7.896 -18.405 1.094 1.00 31.22 H new ATOM 2150 N LYS B 165 8.649 -15.598 -0.244 1.00 73.21 N ATOM 2151 CA LYS B 165 9.528 -15.163 -1.313 1.00 25.03 C ATOM 2152 C LYS B 165 9.222 -13.733 -1.717 1.00 43.22 C ATOM 2153 O LYS B 165 8.062 -13.360 -1.888 1.00 14.52 O ATOM 2154 CB LYS B 165 9.377 -16.067 -2.532 1.00 43.15 C ATOM 2155 CG LYS B 165 10.326 -15.710 -3.662 1.00 11.43 C ATOM 2156 CD LYS B 165 9.840 -16.265 -4.983 1.00 3.34 C ATOM 2157 CE LYS B 165 9.886 -17.784 -5.019 1.00 31.10 C ATOM 2158 NZ LYS B 165 11.276 -18.301 -4.950 1.00 32.23 N ATOM 0 H LYS B 165 7.665 -15.659 -0.506 1.00 73.21 H new ATOM 0 HA LYS B 165 10.551 -15.219 -0.942 1.00 25.03 H new ATOM 0 HB2 LYS B 165 9.550 -17.101 -2.233 1.00 43.15 H new ATOM 0 HB3 LYS B 165 8.351 -16.008 -2.895 1.00 43.15 H new ATOM 0 HG2 LYS B 165 10.420 -14.626 -3.733 1.00 11.43 H new ATOM 0 HG3 LYS B 165 11.319 -16.102 -3.443 1.00 11.43 H new ATOM 0 HD2 LYS B 165 8.818 -15.930 -5.162 1.00 3.34 H new ATOM 0 HD3 LYS B 165 10.453 -15.865 -5.791 1.00 3.34 H new ATOM 0 HE2 LYS B 165 9.309 -18.184 -4.185 1.00 31.10 H new ATOM 0 HE3 LYS B 165 9.412 -18.139 -5.934 1.00 31.10 H new ATOM 0 HZ1 LYS B 165 11.283 -19.311 -5.196 1.00 32.23 H new ATOM 0 HZ2 LYS B 165 11.875 -17.777 -5.620 1.00 32.23 H new ATOM 0 HZ3 LYS B 165 11.645 -18.177 -3.986 1.00 32.23 H new ATOM 2172 N LEU B 166 10.267 -12.941 -1.866 1.00 30.25 N ATOM 2173 CA LEU B 166 10.130 -11.610 -2.424 1.00 21.11 C ATOM 2174 C LEU B 166 10.125 -11.728 -3.937 1.00 24.23 C ATOM 2175 O LEU B 166 10.999 -12.381 -4.509 1.00 62.24 O ATOM 2176 CB LEU B 166 11.269 -10.689 -1.966 1.00 54.20 C ATOM 2177 CG LEU B 166 11.375 -10.467 -0.453 1.00 0.42 C ATOM 2178 CD1 LEU B 166 12.081 -11.633 0.226 1.00 70.32 C ATOM 2179 CD2 LEU B 166 12.097 -9.161 -0.155 1.00 75.40 C ATOM 0 H LEU B 166 11.220 -13.197 -1.608 1.00 30.25 H new ATOM 0 HA LEU B 166 9.198 -11.167 -2.073 1.00 21.11 H new ATOM 0 HB2 LEU B 166 12.212 -11.104 -2.321 1.00 54.20 H new ATOM 0 HB3 LEU B 166 11.145 -9.720 -2.449 1.00 54.20 H new ATOM 0 HG LEU B 166 10.364 -10.406 -0.051 1.00 0.42 H new ATOM 0 HD11 LEU B 166 12.141 -11.447 1.298 1.00 70.32 H new ATOM 0 HD12 LEU B 166 11.521 -12.551 0.048 1.00 70.32 H new ATOM 0 HD13 LEU B 166 13.087 -11.737 -0.181 1.00 70.32 H new ATOM 0 HD21 LEU B 166 12.163 -9.020 0.924 1.00 75.40 H new ATOM 0 HD22 LEU B 166 13.101 -9.195 -0.579 1.00 75.40 H new ATOM 0 HD23 LEU B 166 11.545 -8.331 -0.596 1.00 75.40 H new ATOM 2191 N ILE B 167 9.141 -11.122 -4.577 1.00 33.12 N ATOM 2192 CA ILE B 167 8.966 -11.271 -6.012 1.00 1.31 C ATOM 2193 C ILE B 167 9.786 -10.225 -6.752 1.00 13.23 C ATOM 2194 O ILE B 167 9.476 -9.032 -6.705 1.00 41.22 O ATOM 2195 CB ILE B 167 7.479 -11.156 -6.422 1.00 41.21 C ATOM 2196 CG1 ILE B 167 6.624 -12.159 -5.632 1.00 23.50 C ATOM 2197 CG2 ILE B 167 7.319 -11.382 -7.918 1.00 31.25 C ATOM 2198 CD1 ILE B 167 7.012 -13.607 -5.849 1.00 63.41 C ATOM 0 H ILE B 167 8.450 -10.522 -4.126 1.00 33.12 H new ATOM 0 HA ILE B 167 9.314 -12.268 -6.284 1.00 1.31 H new ATOM 0 HB ILE B 167 7.134 -10.149 -6.187 1.00 41.21 H new ATOM 0 HG12 ILE B 167 6.701 -11.928 -4.569 1.00 23.50 H new ATOM 0 HG13 ILE B 167 5.579 -12.028 -5.911 1.00 23.50 H new ATOM 0 HG21 ILE B 167 6.266 -11.297 -8.188 1.00 31.25 H new ATOM 0 HG22 ILE B 167 7.895 -10.634 -8.463 1.00 31.25 H new ATOM 0 HG23 ILE B 167 7.681 -12.377 -8.176 1.00 31.25 H new ATOM 0 HD11 ILE B 167 6.362 -14.251 -5.257 1.00 63.41 H new ATOM 0 HD12 ILE B 167 6.907 -13.858 -6.905 1.00 63.41 H new ATOM 0 HD13 ILE B 167 8.047 -13.756 -5.542 1.00 63.41 H new ATOM 2210 N PRO B 168 10.850 -10.668 -7.443 1.00 0.24 N ATOM 2211 CA PRO B 168 11.784 -9.773 -8.125 1.00 73.24 C ATOM 2212 C PRO B 168 11.147 -9.036 -9.291 1.00 53.30 C ATOM 2213 O PRO B 168 10.033 -9.351 -9.720 1.00 3.45 O ATOM 2214 CB PRO B 168 12.878 -10.710 -8.632 1.00 35.01 C ATOM 2215 CG PRO B 168 12.217 -12.031 -8.737 1.00 55.34 C ATOM 2216 CD PRO B 168 11.221 -12.082 -7.617 1.00 61.35 C ATOM 0 HA PRO B 168 12.145 -8.991 -7.457 1.00 73.24 H new ATOM 0 HB2 PRO B 168 13.265 -10.382 -9.597 1.00 35.01 H new ATOM 0 HB3 PRO B 168 13.723 -10.743 -7.944 1.00 35.01 H new ATOM 0 HG2 PRO B 168 11.725 -12.146 -9.703 1.00 55.34 H new ATOM 0 HG3 PRO B 168 12.943 -12.839 -8.651 1.00 55.34 H new ATOM 0 HD2 PRO B 168 10.358 -12.698 -7.871 1.00 61.35 H new ATOM 0 HD3 PRO B 168 11.655 -12.501 -6.709 1.00 61.35 H new ATOM 2224 N GLN B 169 11.899 -8.109 -9.850 1.00 62.24 N ATOM 2225 CA GLN B 169 11.360 -7.162 -10.815 1.00 2.03 C ATOM 2226 C GLN B 169 11.137 -7.813 -12.181 1.00 34.00 C ATOM 2227 O GLN B 169 10.593 -7.192 -13.092 1.00 15.31 O ATOM 2228 CB GLN B 169 12.290 -5.955 -10.946 1.00 21.42 C ATOM 2229 CG GLN B 169 11.594 -4.711 -11.473 1.00 40.41 C ATOM 2230 CD GLN B 169 12.553 -3.575 -11.769 1.00 4.41 C ATOM 2231 OE1 GLN B 169 13.771 -3.908 -12.167 1.00 13.43 O flip ATOM 2232 NE2 GLN B 169 12.195 -2.403 -11.653 1.00 44.51 N flip ATOM 0 H GLN B 169 12.892 -7.988 -9.653 1.00 62.24 H new ATOM 0 HA GLN B 169 10.390 -6.828 -10.447 1.00 2.03 H new ATOM 0 HB2 GLN B 169 12.725 -5.734 -9.971 1.00 21.42 H new ATOM 0 HB3 GLN B 169 13.114 -6.211 -11.612 1.00 21.42 H new ATOM 0 HG2 GLN B 169 11.048 -4.964 -12.382 1.00 40.41 H new ATOM 0 HG3 GLN B 169 10.858 -4.376 -10.742 1.00 40.41 H new ATOM 0 HE21 GLN B 169 11.247 -2.187 -11.343 1.00 44.51 H new ATOM 0 HE22 GLN B 169 12.846 -1.647 -11.867 1.00 44.51 H new ATOM 2241 N TRP B 170 11.552 -9.062 -12.331 1.00 4.14 N ATOM 2242 CA TRP B 170 11.308 -9.777 -13.575 1.00 10.04 C ATOM 2243 C TRP B 170 10.052 -10.635 -13.467 1.00 51.42 C ATOM 2244 O TRP B 170 9.539 -11.127 -14.469 1.00 1.41 O ATOM 2245 CB TRP B 170 12.514 -10.639 -13.976 1.00 21.24 C ATOM 2246 CG TRP B 170 12.852 -11.739 -13.010 1.00 24.11 C ATOM 2247 CD1 TRP B 170 12.138 -12.882 -12.777 1.00 11.24 C ATOM 2248 CD2 TRP B 170 14.011 -11.818 -12.173 1.00 50.43 C ATOM 2249 NE1 TRP B 170 12.770 -13.649 -11.833 1.00 62.42 N ATOM 2250 CE2 TRP B 170 13.923 -13.021 -11.450 1.00 34.00 C ATOM 2251 CE3 TRP B 170 15.113 -10.986 -11.957 1.00 71.42 C ATOM 2252 CZ2 TRP B 170 14.889 -13.414 -10.531 1.00 51.24 C ATOM 2253 CZ3 TRP B 170 16.075 -11.378 -11.044 1.00 45.04 C ATOM 2254 CH2 TRP B 170 15.957 -12.584 -10.341 1.00 71.53 C ATOM 0 H TRP B 170 12.052 -9.595 -11.619 1.00 4.14 H new ATOM 0 HA TRP B 170 11.156 -9.033 -14.357 1.00 10.04 H new ATOM 0 HB2 TRP B 170 12.318 -11.080 -14.953 1.00 21.24 H new ATOM 0 HB3 TRP B 170 13.384 -9.992 -14.087 1.00 21.24 H new ATOM 0 HD1 TRP B 170 11.211 -13.142 -13.266 1.00 11.24 H new ATOM 0 HE1 TRP B 170 12.435 -14.543 -11.474 1.00 62.42 H new ATOM 0 HE3 TRP B 170 15.212 -10.054 -12.493 1.00 71.42 H new ATOM 0 HZ2 TRP B 170 14.798 -14.342 -9.987 1.00 51.24 H new ATOM 0 HZ3 TRP B 170 16.932 -10.744 -10.870 1.00 45.04 H new ATOM 0 HH2 TRP B 170 16.725 -12.863 -9.635 1.00 71.53 H new ATOM 2265 N GLU B 171 9.561 -10.815 -12.245 1.00 13.23 N ATOM 2266 CA GLU B 171 8.385 -11.644 -12.013 1.00 24.33 C ATOM 2267 C GLU B 171 7.175 -10.784 -11.674 1.00 22.02 C ATOM 2268 O GLU B 171 6.053 -11.273 -11.603 1.00 4.25 O ATOM 2269 CB GLU B 171 8.640 -12.640 -10.887 1.00 40.31 C ATOM 2270 CG GLU B 171 8.577 -14.099 -11.324 1.00 13.14 C ATOM 2271 CD GLU B 171 7.259 -14.467 -11.989 1.00 72.32 C ATOM 2272 OE1 GLU B 171 6.261 -14.691 -11.270 1.00 33.23 O ATOM 2273 OE2 GLU B 171 7.221 -14.554 -13.236 1.00 33.22 O ATOM 0 H GLU B 171 9.958 -10.399 -11.403 1.00 13.23 H new ATOM 0 HA GLU B 171 8.179 -12.194 -12.931 1.00 24.33 H new ATOM 0 HB2 GLU B 171 9.622 -12.442 -10.456 1.00 40.31 H new ATOM 0 HB3 GLU B 171 7.907 -12.476 -10.097 1.00 40.31 H new ATOM 0 HG2 GLU B 171 9.395 -14.300 -12.016 1.00 13.14 H new ATOM 0 HG3 GLU B 171 8.730 -14.739 -10.455 1.00 13.14 H new ATOM 2280 N ILE B 172 7.411 -9.500 -11.451 1.00 13.51 N ATOM 2281 CA ILE B 172 6.322 -8.564 -11.195 1.00 32.25 C ATOM 2282 C ILE B 172 5.478 -8.379 -12.452 1.00 3.13 C ATOM 2283 O ILE B 172 4.326 -7.949 -12.394 1.00 64.14 O ATOM 2284 CB ILE B 172 6.852 -7.200 -10.716 1.00 21.10 C ATOM 2285 CG1 ILE B 172 7.773 -6.593 -11.765 1.00 50.30 C ATOM 2286 CG2 ILE B 172 7.588 -7.370 -9.397 1.00 24.54 C ATOM 2287 CD1 ILE B 172 8.199 -5.173 -11.455 1.00 31.21 C ATOM 0 H ILE B 172 8.341 -9.082 -11.442 1.00 13.51 H new ATOM 0 HA ILE B 172 5.703 -8.985 -10.402 1.00 32.25 H new ATOM 0 HB ILE B 172 6.011 -6.524 -10.566 1.00 21.10 H new ATOM 0 HG12 ILE B 172 8.662 -7.217 -11.860 1.00 50.30 H new ATOM 0 HG13 ILE B 172 7.268 -6.609 -12.731 1.00 50.30 H new ATOM 0 HG21 ILE B 172 7.962 -6.403 -9.061 1.00 24.54 H new ATOM 0 HG22 ILE B 172 6.906 -7.775 -8.649 1.00 24.54 H new ATOM 0 HG23 ILE B 172 8.425 -8.055 -9.533 1.00 24.54 H new ATOM 0 HD11 ILE B 172 8.853 -4.808 -12.247 1.00 31.21 H new ATOM 0 HD12 ILE B 172 7.318 -4.535 -11.390 1.00 31.21 H new ATOM 0 HD13 ILE B 172 8.733 -5.152 -10.505 1.00 31.21 H new ATOM 2299 N PHE B 173 6.064 -8.735 -13.584 1.00 5.21 N ATOM 2300 CA PHE B 173 5.372 -8.709 -14.860 1.00 64.15 C ATOM 2301 C PHE B 173 4.911 -10.116 -15.196 1.00 63.31 C ATOM 2302 O PHE B 173 4.982 -10.556 -16.340 1.00 22.00 O ATOM 2303 CB PHE B 173 6.291 -8.179 -15.959 1.00 64.24 C ATOM 2304 CG PHE B 173 6.811 -6.798 -15.692 1.00 12.42 C ATOM 2305 CD1 PHE B 173 5.942 -5.726 -15.597 1.00 14.34 C ATOM 2306 CD2 PHE B 173 8.169 -6.574 -15.531 1.00 2.41 C ATOM 2307 CE1 PHE B 173 6.419 -4.452 -15.349 1.00 33.12 C ATOM 2308 CE2 PHE B 173 8.651 -5.305 -15.283 1.00 32.44 C ATOM 2309 CZ PHE B 173 7.775 -4.241 -15.192 1.00 71.05 C ATOM 0 H PHE B 173 7.032 -9.050 -13.643 1.00 5.21 H new ATOM 0 HA PHE B 173 4.511 -8.044 -14.791 1.00 64.15 H new ATOM 0 HB2 PHE B 173 7.134 -8.860 -16.076 1.00 64.24 H new ATOM 0 HB3 PHE B 173 5.749 -8.178 -16.905 1.00 64.24 H new ATOM 0 HD1 PHE B 173 4.881 -5.886 -15.718 1.00 14.34 H new ATOM 0 HD2 PHE B 173 8.858 -7.402 -15.600 1.00 2.41 H new ATOM 0 HE1 PHE B 173 5.731 -3.622 -15.278 1.00 33.12 H new ATOM 0 HE2 PHE B 173 9.712 -5.144 -15.160 1.00 32.44 H new ATOM 0 HZ PHE B 173 8.149 -3.247 -14.999 1.00 71.05 H new ATOM 2319 N SER B 174 4.455 -10.823 -14.173 1.00 33.22 N ATOM 2320 CA SER B 174 4.010 -12.195 -14.324 1.00 60.42 C ATOM 2321 C SER B 174 2.667 -12.240 -15.054 1.00 54.21 C ATOM 2322 O SER B 174 2.248 -13.292 -15.539 1.00 10.54 O ATOM 2323 CB SER B 174 3.906 -12.866 -12.952 1.00 5.33 C ATOM 2324 OG SER B 174 4.080 -14.273 -13.044 1.00 13.23 O ATOM 0 H SER B 174 4.384 -10.462 -13.222 1.00 33.22 H new ATOM 0 HA SER B 174 4.740 -12.741 -14.921 1.00 60.42 H new ATOM 0 HB2 SER B 174 4.659 -12.448 -12.284 1.00 5.33 H new ATOM 0 HB3 SER B 174 2.933 -12.647 -12.512 1.00 5.33 H new ATOM 0 HG SER B 174 4.744 -14.564 -12.385 1.00 13.23 H new ATOM 2330 N TRP B 175 2.002 -11.093 -15.135 1.00 63.31 N ATOM 2331 CA TRP B 175 0.779 -10.970 -15.900 1.00 20.20 C ATOM 2332 C TRP B 175 0.948 -9.883 -16.950 1.00 71.30 C ATOM 2333 O TRP B 175 0.411 -10.036 -18.066 1.00 37.10 O ATOM 2334 CB TRP B 175 -0.429 -10.675 -14.998 1.00 14.24 C ATOM 2335 CG TRP B 175 -0.345 -9.396 -14.211 1.00 23.52 C ATOM 2336 CD1 TRP B 175 0.072 -9.254 -12.921 1.00 64.54 C ATOM 2337 CD2 TRP B 175 -0.712 -8.083 -14.659 1.00 2.13 C ATOM 2338 NE1 TRP B 175 -0.012 -7.937 -12.540 1.00 5.44 N ATOM 2339 CE2 TRP B 175 -0.486 -7.199 -13.589 1.00 52.05 C ATOM 2340 CE3 TRP B 175 -1.204 -7.569 -15.862 1.00 4.23 C ATOM 2341 CZ2 TRP B 175 -0.737 -5.834 -13.684 1.00 45.35 C ATOM 2342 CZ3 TRP B 175 -1.451 -6.211 -15.956 1.00 70.42 C ATOM 2343 CH2 TRP B 175 -1.217 -5.358 -14.871 1.00 51.23 C ATOM 2344 OXT TRP B 175 1.665 -8.899 -16.667 1.00 37.10 O ATOM 0 H TRP B 175 2.297 -10.232 -14.674 1.00 63.31 H new ATOM 0 HA TRP B 175 0.583 -11.922 -16.393 1.00 20.20 H new ATOM 0 HB2 TRP B 175 -1.325 -10.643 -15.618 1.00 14.24 H new ATOM 0 HB3 TRP B 175 -0.553 -11.504 -14.301 1.00 14.24 H new ATOM 0 HD1 TRP B 175 0.418 -10.060 -12.290 1.00 64.54 H new ATOM 0 HE1 TRP B 175 0.239 -7.569 -11.622 1.00 5.44 H new ATOM 0 HE3 TRP B 175 -1.388 -8.221 -16.703 1.00 4.23 H new ATOM 0 HZ2 TRP B 175 -0.559 -5.174 -12.848 1.00 45.35 H new ATOM 0 HZ3 TRP B 175 -1.830 -5.803 -16.881 1.00 70.42 H new ATOM 0 HH2 TRP B 175 -1.420 -4.302 -14.974 1.00 51.23 H new