USER MOD reduce.3.24.130724 H: found=0, std=0, add=1007, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1004 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 66 LYS NZ :NH3+ 169:sc= 2.86 (180deg=2.74) USER MOD Set 1.2: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 60 ASN :FLIP amide:sc= 0.423 F(o=0.077,f=0.94) USER MOD Set 2.2: A 62 SER OG : rot 91:sc= 0.513 USER MOD Set 3.1: A 43 HIS : no HD1:sc= -0.107 X(o=-0.071,f=-0.17) USER MOD Set 3.2: A 45 SER OG : rot 92:sc= 0.0351 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 91:sc= 0.00848 USER MOD Single : A 15 MET CE :methyl -163:sc= -3.14 (180deg=-4.59) USER MOD Single : A 20 THR OG1 : rot -58:sc= 1.21 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot -30:sc= -0.838 USER MOD Single : A 41 SER OG : rot -44:sc= 0.0194 USER MOD Single : A 42 SER OG : rot 103:sc= 1.22 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 65:sc= 1.19 USER MOD Single : A 56 LYS NZ :NH3+ -105:sc= 1.23 (180deg=-0.454) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.402 K(o=-0.4,f=-1.9) USER MOD Single : A 68 LYS NZ :NH3+ 161:sc= -1.49! (180deg=-1.76) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0274) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 82 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 88 MET CE :methyl 165:sc= -0.808 (180deg=-1.45) USER MOD Single : A 89 GLN : amide:sc= 1.19 K(o=1.2,f=-4.6!) USER MOD Single : A 91 ASN : amide:sc= -0.536 X(o=-0.54,f=-0.45) USER MOD Single : A 92 SER OG : rot -91:sc= 1.05 USER MOD Single : A 97 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.18) USER MOD Single : A 100 HIS : no HD1:sc=-0.00316 X(o=-0.0032,f=-0.0032) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.0765 X(o=-0.077,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.51) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 109:sc= 1.28 USER MOD Single : A 122 HIS : no HD1:sc= -0.503 X(o=-0.5,f=-0.049) USER MOD Single : A 124 THR OG1 : rot 83:sc= -0.0508 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 10 9.577 14.902 3.169 1.00 0.00 N ATOM 93 CA TYR A 10 8.136 15.124 3.146 1.00 0.00 C ATOM 94 C TYR A 10 7.547 14.743 1.783 1.00 0.00 C ATOM 95 O TYR A 10 6.464 14.161 1.701 1.00 0.00 O ATOM 96 CB TYR A 10 7.870 16.588 3.485 1.00 0.00 C ATOM 97 CG TYR A 10 6.425 16.998 3.357 1.00 0.00 C ATOM 98 CD1 TYR A 10 5.532 16.810 4.427 1.00 0.00 C ATOM 99 CD2 TYR A 10 5.978 17.561 2.151 1.00 0.00 C ATOM 100 CE1 TYR A 10 4.194 17.227 4.314 1.00 0.00 C ATOM 101 CE2 TYR A 10 4.649 17.980 2.029 1.00 0.00 C ATOM 102 CZ TYR A 10 3.756 17.831 3.114 1.00 0.00 C ATOM 103 OH TYR A 10 2.463 18.217 2.956 1.00 0.00 O ATOM 0 HA TYR A 10 7.648 14.490 3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.201 16.779 4.506 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.474 17.217 2.831 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.875 16.344 5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.659 17.670 1.320 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.508 17.087 5.136 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.305 18.418 1.104 1.00 0.00 H new ATOM 0 HH TYR A 10 2.346 18.614 2.068 1.00 0.00 H new ATOM 113 N TRP A 11 8.259 15.008 0.682 1.00 0.00 N ATOM 114 CA TRP A 11 7.688 14.796 -0.644 1.00 0.00 C ATOM 115 C TRP A 11 7.428 13.317 -0.962 1.00 0.00 C ATOM 116 O TRP A 11 6.560 13.002 -1.776 1.00 0.00 O ATOM 117 CB TRP A 11 8.554 15.448 -1.720 1.00 0.00 C ATOM 118 CG TRP A 11 7.756 16.200 -2.735 1.00 0.00 C ATOM 119 CD1 TRP A 11 7.382 17.490 -2.607 1.00 0.00 C ATOM 120 CD2 TRP A 11 7.165 15.736 -3.986 1.00 0.00 C ATOM 121 NE1 TRP A 11 6.752 17.902 -3.760 1.00 0.00 N ATOM 122 CE2 TRP A 11 6.604 16.864 -4.652 1.00 0.00 C ATOM 123 CE3 TRP A 11 7.027 14.486 -4.626 1.00 0.00 C ATOM 124 CZ2 TRP A 11 6.015 16.771 -5.920 1.00 0.00 C ATOM 125 CZ3 TRP A 11 6.381 14.369 -5.871 1.00 0.00 C ATOM 126 CH2 TRP A 11 5.894 15.512 -6.528 1.00 0.00 C ATOM 0 H TRP A 11 9.215 15.363 0.685 1.00 0.00 H new ATOM 0 HA TRP A 11 6.712 15.280 -0.640 1.00 0.00 H new ATOM 0 HB2 TRP A 11 9.262 16.128 -1.246 1.00 0.00 H new ATOM 0 HB3 TRP A 11 9.139 14.678 -2.223 1.00 0.00 H new ATOM 0 HD1 TRP A 11 7.551 18.104 -1.735 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.435 18.856 -3.932 1.00 0.00 H new ATOM 0 HE3 TRP A 11 7.425 13.601 -4.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.658 17.658 -6.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.259 13.396 -6.324 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.428 15.422 -7.498 1.00 0.00 H new ATOM 137 N ARG A 12 8.141 12.380 -0.322 1.00 0.00 N ATOM 138 CA ARG A 12 7.880 10.949 -0.503 1.00 0.00 C ATOM 139 C ARG A 12 6.448 10.635 -0.047 1.00 0.00 C ATOM 140 O ARG A 12 5.776 9.843 -0.706 1.00 0.00 O ATOM 141 CB ARG A 12 8.926 10.074 0.221 1.00 0.00 C ATOM 142 CG ARG A 12 10.398 10.375 -0.117 1.00 0.00 C ATOM 143 CD ARG A 12 10.921 9.915 -1.479 1.00 0.00 C ATOM 144 NE ARG A 12 11.856 10.896 -2.062 1.00 0.00 N ATOM 145 CZ ARG A 12 11.610 11.782 -3.036 1.00 0.00 C ATOM 146 NH1 ARG A 12 10.386 11.925 -3.534 1.00 0.00 N ATOM 147 NH2 ARG A 12 12.609 12.508 -3.510 1.00 0.00 N ATOM 0 H ARG A 12 8.902 12.589 0.325 1.00 0.00 H new ATOM 0 HA ARG A 12 7.972 10.705 -1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.788 10.190 1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.725 9.029 -0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.545 11.453 -0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.020 9.918 0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.423 8.953 -1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.083 9.762 -2.159 1.00 0.00 H new ATOM 0 HE ARG A 12 12.801 10.900 -1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.619 11.356 -3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.213 12.604 -4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.550 12.389 -3.134 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.439 13.187 -4.252 1.00 0.00 H new ATOM 161 N SER A 13 5.954 11.288 1.014 1.00 0.00 N ATOM 162 CA SER A 13 4.577 11.148 1.480 1.00 0.00 C ATOM 163 C SER A 13 3.615 11.597 0.383 1.00 0.00 C ATOM 164 O SER A 13 2.592 10.952 0.157 1.00 0.00 O ATOM 165 CB SER A 13 4.400 11.960 2.777 1.00 0.00 C ATOM 166 OG SER A 13 3.152 11.707 3.399 1.00 0.00 O ATOM 0 H SER A 13 6.509 11.934 1.575 1.00 0.00 H new ATOM 0 HA SER A 13 4.352 10.105 1.703 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.206 11.716 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.484 13.023 2.553 1.00 0.00 H new ATOM 0 HG SER A 13 3.248 10.970 4.038 1.00 0.00 H new ATOM 172 N ARG A 14 3.942 12.686 -0.319 1.00 0.00 N ATOM 173 CA ARG A 14 3.079 13.275 -1.339 1.00 0.00 C ATOM 174 C ARG A 14 2.927 12.390 -2.562 1.00 0.00 C ATOM 175 O ARG A 14 1.933 12.531 -3.276 1.00 0.00 O ATOM 176 CB ARG A 14 3.598 14.654 -1.758 1.00 0.00 C ATOM 177 CG ARG A 14 3.889 15.598 -0.583 1.00 0.00 C ATOM 178 CD ARG A 14 2.717 15.726 0.387 1.00 0.00 C ATOM 179 NE ARG A 14 1.569 16.419 -0.210 1.00 0.00 N ATOM 180 CZ ARG A 14 0.288 16.243 0.128 1.00 0.00 C ATOM 181 NH1 ARG A 14 -0.071 15.385 1.075 1.00 0.00 N ATOM 182 NH2 ARG A 14 -0.646 16.937 -0.501 1.00 0.00 N ATOM 0 H ARG A 14 4.822 13.186 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 14 2.093 13.378 -0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.510 14.525 -2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.864 15.123 -2.413 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.763 15.236 -0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.141 16.585 -0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.409 14.733 0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.042 16.267 1.276 1.00 0.00 H new ATOM 0 HE ARG A 14 1.766 17.095 -0.948 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.638 14.840 1.565 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.056 15.271 1.313 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.385 17.597 -1.234 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.628 16.813 -0.253 1.00 0.00 H new ATOM 196 N MET A 15 3.871 11.487 -2.820 1.00 0.00 N ATOM 197 CA MET A 15 3.706 10.521 -3.894 1.00 0.00 C ATOM 198 C MET A 15 2.591 9.560 -3.501 1.00 0.00 C ATOM 199 O MET A 15 1.671 9.353 -4.285 1.00 0.00 O ATOM 200 CB MET A 15 5.006 9.777 -4.199 1.00 0.00 C ATOM 201 CG MET A 15 6.182 10.729 -4.458 1.00 0.00 C ATOM 202 SD MET A 15 7.269 10.315 -5.845 1.00 0.00 S ATOM 203 CE MET A 15 7.435 8.532 -5.612 1.00 0.00 C ATOM 0 H MET A 15 4.747 11.407 -2.304 1.00 0.00 H new ATOM 0 HA MET A 15 3.439 11.043 -4.813 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.251 9.122 -3.363 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.860 9.140 -5.071 1.00 0.00 H new ATOM 0 HG2 MET A 15 5.781 11.728 -4.626 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.788 10.777 -3.553 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.292 8.169 -6.179 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.582 8.315 -4.554 1.00 0.00 H new ATOM 0 HE3 MET A 15 6.531 8.034 -5.962 1.00 0.00 H new ATOM 213 N ILE A 16 2.647 9.014 -2.279 1.00 0.00 N ATOM 214 CA ILE A 16 1.619 8.112 -1.762 1.00 0.00 C ATOM 215 C ILE A 16 0.266 8.837 -1.783 1.00 0.00 C ATOM 216 O ILE A 16 -0.745 8.279 -2.214 1.00 0.00 O ATOM 217 CB ILE A 16 1.986 7.581 -0.350 1.00 0.00 C ATOM 218 CG1 ILE A 16 3.399 6.949 -0.236 1.00 0.00 C ATOM 219 CG2 ILE A 16 0.929 6.561 0.121 1.00 0.00 C ATOM 220 CD1 ILE A 16 3.756 6.004 -1.382 1.00 0.00 C ATOM 0 H ILE A 16 3.409 9.188 -1.623 1.00 0.00 H new ATOM 0 HA ILE A 16 1.550 7.232 -2.401 1.00 0.00 H new ATOM 0 HB ILE A 16 2.000 8.461 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.140 7.748 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.466 6.403 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.194 6.194 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.048 7.042 0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.893 5.725 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.759 5.606 -1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.040 5.183 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.725 6.548 -2.326 1.00 0.00 H new ATOM 232 N ASP A 17 0.259 10.097 -1.352 1.00 0.00 N ATOM 233 CA ASP A 17 -0.927 10.941 -1.250 1.00 0.00 C ATOM 234 C ASP A 17 -1.618 11.079 -2.612 1.00 0.00 C ATOM 235 O ASP A 17 -2.833 10.912 -2.709 1.00 0.00 O ATOM 236 CB ASP A 17 -0.517 12.314 -0.698 1.00 0.00 C ATOM 237 CG ASP A 17 -1.449 12.801 0.400 1.00 0.00 C ATOM 238 OD1 ASP A 17 -1.213 12.392 1.560 1.00 0.00 O ATOM 239 OD2 ASP A 17 -2.302 13.667 0.124 1.00 0.00 O ATOM 0 H ASP A 17 1.110 10.574 -1.054 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.642 10.480 -0.569 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.499 12.257 -0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.507 13.041 -1.510 1.00 0.00 H new ATOM 244 N ALA A 18 -0.849 11.341 -3.674 1.00 0.00 N ATOM 245 CA ALA A 18 -1.354 11.558 -5.030 1.00 0.00 C ATOM 246 C ALA A 18 -1.732 10.270 -5.771 1.00 0.00 C ATOM 247 O ALA A 18 -2.289 10.338 -6.868 1.00 0.00 O ATOM 248 CB ALA A 18 -0.299 12.318 -5.829 1.00 0.00 C ATOM 0 H ALA A 18 0.167 11.409 -3.611 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.277 12.131 -4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.662 12.487 -6.843 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.101 13.277 -5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.620 11.734 -5.866 1.00 0.00 H new ATOM 254 N VAL A 19 -1.471 9.096 -5.192 1.00 0.00 N ATOM 255 CA VAL A 19 -1.991 7.830 -5.706 1.00 0.00 C ATOM 256 C VAL A 19 -3.100 7.291 -4.810 1.00 0.00 C ATOM 257 O VAL A 19 -3.582 6.173 -5.011 1.00 0.00 O ATOM 258 CB VAL A 19 -0.863 6.829 -5.991 1.00 0.00 C ATOM 259 CG1 VAL A 19 0.100 7.435 -7.005 1.00 0.00 C ATOM 260 CG2 VAL A 19 -0.074 6.376 -4.764 1.00 0.00 C ATOM 0 H VAL A 19 -0.895 8.998 -4.356 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.458 8.010 -6.675 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.354 5.935 -6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.904 6.728 -7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.435 7.655 -7.929 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.521 8.356 -6.601 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.699 5.671 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.390 7.241 -4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.748 5.892 -4.056 1.00 0.00 H new ATOM 270 N THR A 20 -3.534 8.085 -3.834 1.00 0.00 N ATOM 271 CA THR A 20 -4.609 7.768 -2.921 1.00 0.00 C ATOM 272 C THR A 20 -5.578 8.963 -2.889 1.00 0.00 C ATOM 273 O THR A 20 -6.088 9.342 -1.841 1.00 0.00 O ATOM 274 CB THR A 20 -4.016 7.309 -1.570 1.00 0.00 C ATOM 275 OG1 THR A 20 -3.149 8.269 -1.006 1.00 0.00 O ATOM 276 CG2 THR A 20 -3.230 5.996 -1.705 1.00 0.00 C ATOM 0 H THR A 20 -3.124 9.002 -3.658 1.00 0.00 H new ATOM 0 HA THR A 20 -5.213 6.919 -3.241 1.00 0.00 H new ATOM 0 HB THR A 20 -4.877 7.167 -0.917 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.421 8.461 -1.633 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.830 5.710 -0.732 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.892 5.211 -2.071 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.409 6.134 -2.408 1.00 0.00 H new ATOM 284 N SER A 21 -5.828 9.603 -4.033 1.00 0.00 N ATOM 285 CA SER A 21 -6.802 10.687 -4.126 1.00 0.00 C ATOM 286 C SER A 21 -8.205 10.110 -3.885 1.00 0.00 C ATOM 287 O SER A 21 -8.497 9.001 -4.349 1.00 0.00 O ATOM 288 CB SER A 21 -6.680 11.352 -5.502 1.00 0.00 C ATOM 289 OG SER A 21 -5.310 11.575 -5.801 1.00 0.00 O ATOM 0 H SER A 21 -5.363 9.385 -4.914 1.00 0.00 H new ATOM 0 HA SER A 21 -6.616 11.450 -3.371 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.131 10.718 -6.265 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.223 12.297 -5.510 1.00 0.00 H new ATOM 0 HG SER A 21 -5.232 11.998 -6.681 1.00 0.00 H new ATOM 295 N ASP A 22 -9.039 10.824 -3.129 1.00 0.00 N ATOM 296 CA ASP A 22 -10.434 10.487 -2.847 1.00 0.00 C ATOM 297 C ASP A 22 -11.253 10.678 -4.141 1.00 0.00 C ATOM 298 O ASP A 22 -11.796 11.746 -4.413 1.00 0.00 O ATOM 299 CB ASP A 22 -11.011 11.353 -1.710 1.00 0.00 C ATOM 300 CG ASP A 22 -11.091 12.853 -1.983 1.00 0.00 C ATOM 301 OD1 ASP A 22 -10.074 13.449 -2.405 1.00 0.00 O ATOM 302 OD2 ASP A 22 -12.153 13.448 -1.687 1.00 0.00 O ATOM 0 H ASP A 22 -8.748 11.691 -2.677 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.489 9.450 -2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.013 10.992 -1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.403 11.198 -0.819 1.00 0.00 H new ATOM 307 N GLU A 23 -11.287 9.666 -4.995 1.00 0.00 N ATOM 308 CA GLU A 23 -12.018 9.609 -6.252 1.00 0.00 C ATOM 309 C GLU A 23 -12.214 8.103 -6.460 1.00 0.00 C ATOM 310 O GLU A 23 -11.249 7.340 -6.320 1.00 0.00 O ATOM 311 CB GLU A 23 -11.281 10.364 -7.391 1.00 0.00 C ATOM 312 CG GLU A 23 -9.990 9.654 -7.773 1.00 0.00 C ATOM 313 CD GLU A 23 -9.028 10.256 -8.803 1.00 0.00 C ATOM 314 OE1 GLU A 23 -9.410 10.621 -9.933 1.00 0.00 O ATOM 315 OE2 GLU A 23 -7.798 10.179 -8.547 1.00 0.00 O ATOM 0 H GLU A 23 -10.770 8.805 -4.816 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.978 10.126 -6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.931 10.437 -8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.059 11.382 -7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.422 9.509 -6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.267 8.664 -8.136 1.00 0.00 H new ATOM 322 N ASP A 24 -13.444 7.640 -6.690 1.00 0.00 N ATOM 323 CA ASP A 24 -13.729 6.202 -6.802 1.00 0.00 C ATOM 324 C ASP A 24 -12.985 5.560 -7.976 1.00 0.00 C ATOM 325 O ASP A 24 -12.651 4.374 -7.929 1.00 0.00 O ATOM 326 CB ASP A 24 -15.235 5.932 -6.934 1.00 0.00 C ATOM 327 CG ASP A 24 -15.741 6.081 -8.369 1.00 0.00 C ATOM 328 OD1 ASP A 24 -15.730 7.220 -8.885 1.00 0.00 O ATOM 329 OD2 ASP A 24 -16.175 5.073 -8.978 1.00 0.00 O ATOM 0 H ASP A 24 -14.262 8.238 -6.803 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.371 5.747 -5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.451 4.924 -6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.781 6.620 -6.288 1.00 0.00 H new ATOM 334 N LYS A 25 -12.699 6.343 -9.015 1.00 0.00 N ATOM 335 CA LYS A 25 -11.895 5.938 -10.149 1.00 0.00 C ATOM 336 C LYS A 25 -10.497 5.595 -9.659 1.00 0.00 C ATOM 337 O LYS A 25 -9.821 6.384 -8.992 1.00 0.00 O ATOM 338 CB LYS A 25 -11.891 7.079 -11.154 1.00 0.00 C ATOM 339 CG LYS A 25 -11.050 6.791 -12.404 1.00 0.00 C ATOM 340 CD LYS A 25 -10.978 8.030 -13.298 1.00 0.00 C ATOM 341 CE LYS A 25 -10.183 9.150 -12.613 1.00 0.00 C ATOM 342 NZ LYS A 25 -10.125 10.374 -13.429 1.00 0.00 N ATOM 0 H LYS A 25 -13.034 7.304 -9.086 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.299 5.052 -10.639 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.917 7.290 -11.457 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.511 7.978 -10.669 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.045 6.488 -12.111 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.485 5.960 -12.959 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.508 7.772 -14.247 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.985 8.379 -13.525 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.639 9.379 -11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.170 8.802 -12.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.578 11.101 -12.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.666 10.164 -14.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.090 10.723 -13.601 1.00 0.00 H new ATOM 356 N VAL A 26 -10.073 4.384 -9.970 1.00 0.00 N ATOM 357 CA VAL A 26 -8.817 3.838 -9.495 1.00 0.00 C ATOM 358 C VAL A 26 -7.664 4.501 -10.278 1.00 0.00 C ATOM 359 O VAL A 26 -7.846 4.988 -11.398 1.00 0.00 O ATOM 360 CB VAL A 26 -8.906 2.297 -9.552 1.00 0.00 C ATOM 361 CG1 VAL A 26 -7.733 1.639 -8.826 1.00 0.00 C ATOM 362 CG2 VAL A 26 -10.181 1.784 -8.848 1.00 0.00 C ATOM 0 H VAL A 26 -10.598 3.745 -10.567 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.605 4.067 -8.451 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.905 2.040 -10.611 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.829 0.555 -8.887 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.797 1.947 -9.293 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.735 1.945 -7.780 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.215 0.696 -8.905 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.169 2.093 -7.803 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.060 2.201 -9.339 1.00 0.00 H new ATOM 372 N ALA A 27 -6.484 4.602 -9.660 1.00 0.00 N ATOM 373 CA ALA A 27 -5.313 5.258 -10.227 1.00 0.00 C ATOM 374 C ALA A 27 -4.719 4.429 -11.379 1.00 0.00 C ATOM 375 O ALA A 27 -4.842 3.197 -11.377 1.00 0.00 O ATOM 376 CB ALA A 27 -4.258 5.455 -9.126 1.00 0.00 C ATOM 0 H ALA A 27 -6.317 4.219 -8.729 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.615 6.226 -10.628 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.380 5.946 -9.547 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.673 6.074 -8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.971 4.485 -8.719 1.00 0.00 H new ATOM 382 N PRO A 28 -4.012 5.066 -12.327 1.00 0.00 N ATOM 383 CA PRO A 28 -3.288 4.365 -13.374 1.00 0.00 C ATOM 384 C PRO A 28 -2.019 3.723 -12.822 1.00 0.00 C ATOM 385 O PRO A 28 -1.462 4.170 -11.818 1.00 0.00 O ATOM 386 CB PRO A 28 -2.936 5.424 -14.408 1.00 0.00 C ATOM 387 CG PRO A 28 -2.776 6.679 -13.556 1.00 0.00 C ATOM 388 CD PRO A 28 -3.799 6.502 -12.441 1.00 0.00 C ATOM 0 HA PRO A 28 -3.887 3.561 -13.801 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.019 5.178 -14.944 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.721 5.538 -15.155 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.764 6.766 -13.159 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.969 7.582 -14.135 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.432 6.919 -11.503 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.729 7.018 -12.677 1.00 0.00 H new ATOM 396 N VAL A 29 -1.501 2.727 -13.542 1.00 0.00 N ATOM 397 CA VAL A 29 -0.258 2.061 -13.171 1.00 0.00 C ATOM 398 C VAL A 29 0.903 3.058 -13.102 1.00 0.00 C ATOM 399 O VAL A 29 1.711 2.969 -12.177 1.00 0.00 O ATOM 400 CB VAL A 29 0.033 0.879 -14.121 1.00 0.00 C ATOM 401 CG1 VAL A 29 1.326 0.153 -13.723 1.00 0.00 C ATOM 402 CG2 VAL A 29 -1.121 -0.139 -14.091 1.00 0.00 C ATOM 0 H VAL A 29 -1.930 2.363 -14.393 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.372 1.646 -12.170 1.00 0.00 H new ATOM 0 HB VAL A 29 0.141 1.293 -15.124 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.505 -0.674 -14.410 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.163 0.850 -13.768 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.229 -0.232 -12.708 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.896 -0.964 -14.767 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.241 -0.523 -13.078 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.044 0.348 -14.407 1.00 0.00 H new ATOM 412 N TYR A 30 0.975 4.020 -14.028 1.00 0.00 N ATOM 413 CA TYR A 30 2.158 4.859 -14.158 1.00 0.00 C ATOM 414 C TYR A 30 2.412 5.747 -12.944 1.00 0.00 C ATOM 415 O TYR A 30 3.568 6.088 -12.681 1.00 0.00 O ATOM 416 CB TYR A 30 2.105 5.689 -15.447 1.00 0.00 C ATOM 417 CG TYR A 30 1.032 6.760 -15.472 1.00 0.00 C ATOM 418 CD1 TYR A 30 1.225 7.976 -14.784 1.00 0.00 C ATOM 419 CD2 TYR A 30 -0.148 6.555 -16.208 1.00 0.00 C ATOM 420 CE1 TYR A 30 0.242 8.980 -14.829 1.00 0.00 C ATOM 421 CE2 TYR A 30 -1.136 7.551 -16.247 1.00 0.00 C ATOM 422 CZ TYR A 30 -0.955 8.759 -15.543 1.00 0.00 C ATOM 423 OH TYR A 30 -1.950 9.679 -15.525 1.00 0.00 O ATOM 0 H TYR A 30 0.230 4.232 -14.692 1.00 0.00 H new ATOM 0 HA TYR A 30 3.006 4.177 -14.214 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.075 6.163 -15.597 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.946 5.016 -16.289 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.132 8.137 -14.220 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.295 5.629 -16.745 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.402 9.918 -14.318 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.038 7.391 -16.818 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.699 9.362 -16.072 1.00 0.00 H new ATOM 433 N LYS A 31 1.366 6.116 -12.196 1.00 0.00 N ATOM 434 CA LYS A 31 1.578 6.879 -10.978 1.00 0.00 C ATOM 435 C LYS A 31 2.154 5.992 -9.877 1.00 0.00 C ATOM 436 O LYS A 31 2.792 6.527 -8.977 1.00 0.00 O ATOM 437 CB LYS A 31 0.297 7.561 -10.489 1.00 0.00 C ATOM 438 CG LYS A 31 -0.249 8.687 -11.374 1.00 0.00 C ATOM 439 CD LYS A 31 -1.381 9.419 -10.639 1.00 0.00 C ATOM 440 CE LYS A 31 -1.971 10.523 -11.522 1.00 0.00 C ATOM 441 NZ LYS A 31 -2.966 11.348 -10.801 1.00 0.00 N ATOM 0 H LYS A 31 0.392 5.902 -12.411 1.00 0.00 H new ATOM 0 HA LYS A 31 2.296 7.663 -11.218 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.477 6.801 -10.384 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.483 7.966 -9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.549 9.387 -11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.618 8.277 -12.314 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.162 8.710 -10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.001 9.850 -9.713 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.167 11.163 -11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.441 10.073 -12.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.337 12.081 -11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.748 10.744 -10.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.513 11.800 -9.981 1.00 0.00 H new ATOM 455 N LEU A 32 1.883 4.678 -9.883 1.00 0.00 N ATOM 456 CA LEU A 32 2.235 3.757 -8.813 1.00 0.00 C ATOM 457 C LEU A 32 3.660 3.264 -9.007 1.00 0.00 C ATOM 458 O LEU A 32 4.363 3.062 -8.020 1.00 0.00 O ATOM 459 CB LEU A 32 1.277 2.545 -8.819 1.00 0.00 C ATOM 460 CG LEU A 32 -0.213 2.918 -8.708 1.00 0.00 C ATOM 461 CD1 LEU A 32 -1.100 1.717 -9.028 1.00 0.00 C ATOM 462 CD2 LEU A 32 -0.557 3.400 -7.305 1.00 0.00 C ATOM 0 H LEU A 32 1.400 4.223 -10.657 1.00 0.00 H new ATOM 0 HA LEU A 32 2.152 4.280 -7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.431 1.979 -9.738 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.538 1.886 -7.991 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.394 3.718 -9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.148 2.005 -8.943 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.899 1.376 -10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.888 0.911 -8.326 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.615 3.656 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.342 2.610 -6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.040 4.280 -7.066 1.00 0.00 H new ATOM 474 N GLU A 33 4.079 3.052 -10.261 1.00 0.00 N ATOM 475 CA GLU A 33 5.399 2.498 -10.547 1.00 0.00 C ATOM 476 C GLU A 33 6.510 3.434 -10.065 1.00 0.00 C ATOM 477 O GLU A 33 7.563 2.961 -9.647 1.00 0.00 O ATOM 478 CB GLU A 33 5.541 2.128 -12.035 1.00 0.00 C ATOM 479 CG GLU A 33 5.769 3.323 -12.973 1.00 0.00 C ATOM 480 CD GLU A 33 5.633 2.955 -14.452 1.00 0.00 C ATOM 481 OE1 GLU A 33 6.068 1.852 -14.865 1.00 0.00 O ATOM 482 OE2 GLU A 33 5.028 3.741 -15.213 1.00 0.00 O ATOM 0 H GLU A 33 3.520 3.257 -11.089 1.00 0.00 H new ATOM 0 HA GLU A 33 5.505 1.571 -9.984 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.373 1.433 -12.145 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.641 1.601 -12.352 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.053 4.109 -12.732 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.763 3.733 -12.796 1.00 0.00 H new ATOM 489 N GLU A 34 6.242 4.739 -10.066 1.00 0.00 N ATOM 490 CA GLU A 34 7.137 5.789 -9.587 1.00 0.00 C ATOM 491 C GLU A 34 7.508 5.579 -8.111 1.00 0.00 C ATOM 492 O GLU A 34 8.657 5.784 -7.723 1.00 0.00 O ATOM 493 CB GLU A 34 6.445 7.142 -9.851 1.00 0.00 C ATOM 494 CG GLU A 34 7.011 8.303 -9.026 1.00 0.00 C ATOM 495 CD GLU A 34 6.499 9.669 -9.479 1.00 0.00 C ATOM 496 OE1 GLU A 34 5.263 9.878 -9.481 1.00 0.00 O ATOM 497 OE2 GLU A 34 7.320 10.541 -9.854 1.00 0.00 O ATOM 0 H GLU A 34 5.358 5.108 -10.416 1.00 0.00 H new ATOM 0 HA GLU A 34 8.087 5.764 -10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.535 7.384 -10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.381 7.042 -9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.753 8.155 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.099 8.290 -9.091 1.00 0.00 H new ATOM 504 N ILE A 35 6.563 5.167 -7.263 1.00 0.00 N ATOM 505 CA ILE A 35 6.827 4.952 -5.841 1.00 0.00 C ATOM 506 C ILE A 35 7.845 3.816 -5.703 1.00 0.00 C ATOM 507 O ILE A 35 8.817 3.932 -4.953 1.00 0.00 O ATOM 508 CB ILE A 35 5.501 4.683 -5.085 1.00 0.00 C ATOM 509 CG1 ILE A 35 4.654 5.966 -4.911 1.00 0.00 C ATOM 510 CG2 ILE A 35 5.749 4.099 -3.679 1.00 0.00 C ATOM 511 CD1 ILE A 35 3.969 6.520 -6.160 1.00 0.00 C ATOM 0 H ILE A 35 5.601 4.975 -7.541 1.00 0.00 H new ATOM 0 HA ILE A 35 7.258 5.843 -5.383 1.00 0.00 H new ATOM 0 HB ILE A 35 4.961 3.965 -5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.886 5.766 -4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.299 6.745 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.794 3.925 -3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.289 3.156 -3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.340 4.802 -3.092 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.409 7.418 -5.900 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.722 6.766 -6.909 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.287 5.772 -6.563 1.00 0.00 H new ATOM 523 N CYS A 36 7.611 2.706 -6.405 1.00 0.00 N ATOM 524 CA CYS A 36 8.508 1.566 -6.357 1.00 0.00 C ATOM 525 C CYS A 36 9.850 1.881 -7.033 1.00 0.00 C ATOM 526 O CYS A 36 10.856 1.254 -6.696 1.00 0.00 O ATOM 527 CB CYS A 36 7.824 0.363 -7.005 1.00 0.00 C ATOM 528 SG CYS A 36 8.756 -1.114 -6.543 1.00 0.00 S ATOM 0 H CYS A 36 6.803 2.579 -7.014 1.00 0.00 H new ATOM 0 HA CYS A 36 8.730 1.330 -5.316 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.790 0.284 -6.668 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.799 0.476 -8.089 1.00 0.00 H new ATOM 0 HG CYS A 36 10.005 -0.800 -6.363 1.00 0.00 H new ATOM 534 N ASP A 37 9.881 2.840 -7.960 1.00 0.00 N ATOM 535 CA ASP A 37 11.103 3.290 -8.609 1.00 0.00 C ATOM 536 C ASP A 37 11.996 3.984 -7.595 1.00 0.00 C ATOM 537 O ASP A 37 13.187 3.673 -7.487 1.00 0.00 O ATOM 538 CB ASP A 37 10.790 4.236 -9.775 1.00 0.00 C ATOM 539 CG ASP A 37 11.991 4.320 -10.711 1.00 0.00 C ATOM 540 OD1 ASP A 37 12.502 3.259 -11.134 1.00 0.00 O ATOM 541 OD2 ASP A 37 12.436 5.445 -11.015 1.00 0.00 O ATOM 0 H ASP A 37 9.045 3.329 -8.282 1.00 0.00 H new ATOM 0 HA ASP A 37 11.622 2.420 -9.011 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.917 3.878 -10.321 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.544 5.227 -9.395 1.00 0.00 H new ATOM 546 N LEU A 38 11.399 4.862 -6.779 1.00 0.00 N ATOM 547 CA LEU A 38 12.132 5.568 -5.748 1.00 0.00 C ATOM 548 C LEU A 38 12.729 4.606 -4.752 1.00 0.00 C ATOM 549 O LEU A 38 13.904 4.726 -4.421 1.00 0.00 O ATOM 550 CB LEU A 38 11.325 6.619 -5.013 1.00 0.00 C ATOM 551 CG LEU A 38 11.067 7.828 -5.919 1.00 0.00 C ATOM 552 CD1 LEU A 38 10.728 9.081 -5.115 1.00 0.00 C ATOM 553 CD2 LEU A 38 12.106 8.243 -6.972 1.00 0.00 C ATOM 0 H LEU A 38 10.407 5.093 -6.822 1.00 0.00 H new ATOM 0 HA LEU A 38 12.921 6.098 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.376 6.194 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.859 6.936 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 38 10.235 7.425 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.553 9.914 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.831 8.902 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.558 9.323 -4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.746 9.118 -7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.048 8.484 -6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.263 7.422 -7.672 1.00 0.00 H new ATOM 565 N LEU A 39 11.936 3.659 -4.262 1.00 0.00 N ATOM 566 CA LEU A 39 12.372 2.713 -3.245 1.00 0.00 C ATOM 567 C LEU A 39 13.536 1.848 -3.744 1.00 0.00 C ATOM 568 O LEU A 39 14.388 1.466 -2.942 1.00 0.00 O ATOM 569 CB LEU A 39 11.189 1.836 -2.831 1.00 0.00 C ATOM 570 CG LEU A 39 10.073 2.553 -2.068 1.00 0.00 C ATOM 571 CD1 LEU A 39 8.742 1.813 -2.168 1.00 0.00 C ATOM 572 CD2 LEU A 39 10.456 2.608 -0.607 1.00 0.00 C ATOM 0 H LEU A 39 10.970 3.527 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 39 12.732 3.272 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.762 1.386 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.563 1.020 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 39 9.953 3.545 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.980 2.358 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.444 1.739 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.850 0.812 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.673 3.116 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.578 1.595 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.393 3.153 -0.497 1.00 0.00 H new ATOM 584 N ARG A 40 13.620 1.550 -5.048 1.00 0.00 N ATOM 585 CA ARG A 40 14.791 0.873 -5.617 1.00 0.00 C ATOM 586 C ARG A 40 15.996 1.816 -5.722 1.00 0.00 C ATOM 587 O ARG A 40 17.132 1.355 -5.637 1.00 0.00 O ATOM 588 CB ARG A 40 14.440 0.278 -6.989 1.00 0.00 C ATOM 589 CG ARG A 40 13.648 -1.035 -6.834 1.00 0.00 C ATOM 590 CD ARG A 40 13.302 -1.696 -8.177 1.00 0.00 C ATOM 591 NE ARG A 40 12.405 -0.846 -8.980 1.00 0.00 N ATOM 592 CZ ARG A 40 12.652 -0.354 -10.202 1.00 0.00 C ATOM 593 NH1 ARG A 40 13.657 -0.795 -10.947 1.00 0.00 N ATOM 594 NH2 ARG A 40 11.869 0.601 -10.669 1.00 0.00 N ATOM 0 H ARG A 40 12.891 1.767 -5.727 1.00 0.00 H new ATOM 0 HA ARG A 40 15.074 0.064 -4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 40 13.853 0.996 -7.561 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.354 0.092 -7.553 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.229 -1.733 -6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.727 -0.833 -6.288 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.218 -1.890 -8.735 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.827 -2.661 -7.998 1.00 0.00 H new ATOM 0 HE ARG A 40 11.505 -0.608 -8.564 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.269 -1.530 -10.594 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.817 -0.399 -11.873 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.096 0.949 -10.102 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.038 0.991 -11.596 1.00 0.00 H new ATOM 608 N SER A 41 15.768 3.119 -5.852 1.00 0.00 N ATOM 609 CA SER A 41 16.789 4.162 -5.877 1.00 0.00 C ATOM 610 C SER A 41 17.276 4.572 -4.471 1.00 0.00 C ATOM 611 O SER A 41 18.090 5.492 -4.368 1.00 0.00 O ATOM 612 CB SER A 41 16.191 5.375 -6.616 1.00 0.00 C ATOM 613 OG SER A 41 17.179 6.225 -7.171 1.00 0.00 O ATOM 0 H SER A 41 14.824 3.494 -5.947 1.00 0.00 H new ATOM 0 HA SER A 41 17.670 3.776 -6.389 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.534 5.022 -7.411 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.574 5.948 -5.924 1.00 0.00 H new ATOM 0 HG SER A 41 17.897 6.362 -6.518 1.00 0.00 H new ATOM 619 N SER A 42 16.762 3.987 -3.379 1.00 0.00 N ATOM 620 CA SER A 42 16.855 4.596 -2.051 1.00 0.00 C ATOM 621 C SER A 42 17.595 3.750 -1.016 1.00 0.00 C ATOM 622 O SER A 42 17.780 2.538 -1.175 1.00 0.00 O ATOM 623 CB SER A 42 15.446 4.872 -1.537 1.00 0.00 C ATOM 624 OG SER A 42 14.808 5.867 -2.310 1.00 0.00 O ATOM 0 H SER A 42 16.277 3.090 -3.394 1.00 0.00 H new ATOM 0 HA SER A 42 17.437 5.509 -2.175 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.859 3.954 -1.565 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.491 5.190 -0.495 1.00 0.00 H new ATOM 0 HG SER A 42 14.167 5.446 -2.920 1.00 0.00 H new ATOM 630 N HIS A 43 17.971 4.399 0.088 1.00 0.00 N ATOM 631 CA HIS A 43 18.394 3.764 1.327 1.00 0.00 C ATOM 632 C HIS A 43 17.190 3.148 2.043 1.00 0.00 C ATOM 633 O HIS A 43 16.060 3.601 1.849 1.00 0.00 O ATOM 634 CB HIS A 43 19.103 4.811 2.205 1.00 0.00 C ATOM 635 CG HIS A 43 19.900 4.182 3.309 1.00 0.00 C ATOM 636 ND1 HIS A 43 19.699 4.333 4.659 1.00 0.00 N ATOM 637 CD2 HIS A 43 20.919 3.291 3.140 1.00 0.00 C ATOM 638 CE1 HIS A 43 20.529 3.497 5.295 1.00 0.00 C ATOM 639 NE2 HIS A 43 21.295 2.829 4.404 1.00 0.00 N ATOM 0 H HIS A 43 17.988 5.418 0.140 1.00 0.00 H new ATOM 0 HA HIS A 43 19.093 2.955 1.115 1.00 0.00 H new ATOM 0 HB2 HIS A 43 19.762 5.417 1.583 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.361 5.485 2.634 1.00 0.00 H new ATOM 0 HD2 HIS A 43 21.357 2.996 2.198 1.00 0.00 H new ATOM 0 HE1 HIS A 43 20.579 3.374 6.367 1.00 0.00 H new ATOM 0 HE2 HIS A 43 22.006 2.128 4.613 1.00 0.00 H new ATOM 647 N VAL A 44 17.425 2.159 2.916 1.00 0.00 N ATOM 648 CA VAL A 44 16.365 1.517 3.693 1.00 0.00 C ATOM 649 C VAL A 44 15.576 2.549 4.508 1.00 0.00 C ATOM 650 O VAL A 44 14.362 2.429 4.606 1.00 0.00 O ATOM 651 CB VAL A 44 16.918 0.379 4.572 1.00 0.00 C ATOM 652 CG1 VAL A 44 17.901 0.861 5.639 1.00 0.00 C ATOM 653 CG2 VAL A 44 15.786 -0.364 5.290 1.00 0.00 C ATOM 0 H VAL A 44 18.356 1.784 3.101 1.00 0.00 H new ATOM 0 HA VAL A 44 15.667 1.059 2.993 1.00 0.00 H new ATOM 0 HB VAL A 44 17.444 -0.280 3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 44 18.252 0.009 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 44 18.751 1.346 5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 44 17.403 1.572 6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 44 16.206 -1.162 5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.239 0.333 5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 44 15.107 -0.792 4.553 1.00 0.00 H new ATOM 663 N SER A 45 16.216 3.593 5.039 1.00 0.00 N ATOM 664 CA SER A 45 15.521 4.616 5.805 1.00 0.00 C ATOM 665 C SER A 45 14.396 5.274 4.993 1.00 0.00 C ATOM 666 O SER A 45 13.299 5.468 5.509 1.00 0.00 O ATOM 667 CB SER A 45 16.548 5.607 6.341 1.00 0.00 C ATOM 668 OG SER A 45 17.495 4.944 7.161 1.00 0.00 O ATOM 0 H SER A 45 17.220 3.748 4.949 1.00 0.00 H new ATOM 0 HA SER A 45 15.014 4.162 6.657 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.057 6.098 5.511 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.046 6.387 6.913 1.00 0.00 H new ATOM 0 HG SER A 45 18.259 4.662 6.616 1.00 0.00 H new ATOM 674 N ILE A 46 14.610 5.539 3.702 1.00 0.00 N ATOM 675 CA ILE A 46 13.561 6.076 2.841 1.00 0.00 C ATOM 676 C ILE A 46 12.442 5.037 2.699 1.00 0.00 C ATOM 677 O ILE A 46 11.272 5.421 2.651 1.00 0.00 O ATOM 678 CB ILE A 46 14.109 6.449 1.449 1.00 0.00 C ATOM 679 CG1 ILE A 46 15.527 7.061 1.421 1.00 0.00 C ATOM 680 CG2 ILE A 46 13.158 7.361 0.654 1.00 0.00 C ATOM 681 CD1 ILE A 46 15.690 8.367 2.201 1.00 0.00 C ATOM 0 H ILE A 46 15.503 5.389 3.232 1.00 0.00 H new ATOM 0 HA ILE A 46 13.171 6.985 3.300 1.00 0.00 H new ATOM 0 HB ILE A 46 14.181 5.473 0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.229 6.329 1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.808 7.239 0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.599 7.589 -0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.204 6.854 0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 46 12.997 8.287 1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.720 8.714 2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.019 9.122 1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 46 15.447 8.197 3.250 1.00 0.00 H new ATOM 693 N VAL A 47 12.781 3.742 2.605 1.00 0.00 N ATOM 694 CA VAL A 47 11.786 2.679 2.586 1.00 0.00 C ATOM 695 C VAL A 47 10.925 2.761 3.851 1.00 0.00 C ATOM 696 O VAL A 47 9.708 2.619 3.752 1.00 0.00 O ATOM 697 CB VAL A 47 12.373 1.260 2.479 1.00 0.00 C ATOM 698 CG1 VAL A 47 11.187 0.313 2.331 1.00 0.00 C ATOM 699 CG2 VAL A 47 13.321 1.023 1.295 1.00 0.00 C ATOM 0 H VAL A 47 13.744 3.413 2.541 1.00 0.00 H new ATOM 0 HA VAL A 47 11.196 2.841 1.684 1.00 0.00 H new ATOM 0 HB VAL A 47 12.978 1.097 3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.548 -0.712 2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.539 0.402 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.625 0.571 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.677 -0.007 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.790 1.206 0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.171 1.702 1.368 1.00 0.00 H new ATOM 709 N LYS A 48 11.532 2.931 5.031 1.00 0.00 N ATOM 710 CA LYS A 48 10.820 2.947 6.307 1.00 0.00 C ATOM 711 C LYS A 48 9.743 4.027 6.287 1.00 0.00 C ATOM 712 O LYS A 48 8.602 3.730 6.655 1.00 0.00 O ATOM 713 CB LYS A 48 11.781 3.204 7.479 1.00 0.00 C ATOM 714 CG LYS A 48 12.848 2.125 7.724 1.00 0.00 C ATOM 715 CD LYS A 48 13.797 2.645 8.811 1.00 0.00 C ATOM 716 CE LYS A 48 14.927 1.676 9.158 1.00 0.00 C ATOM 717 NZ LYS A 48 15.892 2.281 10.100 1.00 0.00 N ATOM 0 H LYS A 48 12.539 3.062 5.124 1.00 0.00 H new ATOM 0 HA LYS A 48 10.360 1.969 6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.286 4.154 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.191 3.317 8.389 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.382 1.191 8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.397 1.915 6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.229 3.590 8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.222 2.855 9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.509 0.770 9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.445 1.379 8.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.645 1.596 10.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.309 3.132 9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.402 2.542 10.979 1.00 0.00 H new ATOM 731 N GLU A 49 10.101 5.239 5.850 1.00 0.00 N ATOM 732 CA GLU A 49 9.171 6.357 5.757 1.00 0.00 C ATOM 733 C GLU A 49 8.070 6.054 4.748 1.00 0.00 C ATOM 734 O GLU A 49 6.893 6.228 5.048 1.00 0.00 O ATOM 735 CB GLU A 49 9.916 7.636 5.344 1.00 0.00 C ATOM 736 CG GLU A 49 10.452 8.437 6.539 1.00 0.00 C ATOM 737 CD GLU A 49 11.961 8.617 6.448 1.00 0.00 C ATOM 738 OE1 GLU A 49 12.419 9.354 5.536 1.00 0.00 O ATOM 739 OE2 GLU A 49 12.688 8.005 7.255 1.00 0.00 O ATOM 0 H GLU A 49 11.049 5.468 5.551 1.00 0.00 H new ATOM 0 HA GLU A 49 8.718 6.508 6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.747 7.370 4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.245 8.268 4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.968 9.413 6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.199 7.924 7.467 1.00 0.00 H new ATOM 746 N PHE A 50 8.440 5.607 3.547 1.00 0.00 N ATOM 747 CA PHE A 50 7.468 5.273 2.516 1.00 0.00 C ATOM 748 C PHE A 50 6.475 4.229 3.015 1.00 0.00 C ATOM 749 O PHE A 50 5.281 4.352 2.748 1.00 0.00 O ATOM 750 CB PHE A 50 8.181 4.738 1.278 1.00 0.00 C ATOM 751 CG PHE A 50 8.404 5.728 0.156 1.00 0.00 C ATOM 752 CD1 PHE A 50 7.297 6.310 -0.484 1.00 0.00 C ATOM 753 CD2 PHE A 50 9.700 5.970 -0.330 1.00 0.00 C ATOM 754 CE1 PHE A 50 7.474 7.040 -1.670 1.00 0.00 C ATOM 755 CE2 PHE A 50 9.882 6.735 -1.494 1.00 0.00 C ATOM 756 CZ PHE A 50 8.764 7.204 -2.201 1.00 0.00 C ATOM 0 H PHE A 50 9.411 5.469 3.268 1.00 0.00 H new ATOM 0 HA PHE A 50 6.922 6.182 2.263 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.150 4.343 1.584 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.605 3.900 0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.309 6.196 -0.063 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.556 5.568 0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.622 7.474 -2.172 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.878 6.961 -1.844 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.896 7.692 -3.155 1.00 0.00 H new ATOM 766 N SER A 51 6.977 3.199 3.698 1.00 0.00 N ATOM 767 CA SER A 51 6.174 2.130 4.249 1.00 0.00 C ATOM 768 C SER A 51 5.157 2.736 5.198 1.00 0.00 C ATOM 769 O SER A 51 3.973 2.556 4.951 1.00 0.00 O ATOM 770 CB SER A 51 7.051 1.075 4.924 1.00 0.00 C ATOM 771 OG SER A 51 8.000 0.577 4.002 1.00 0.00 O ATOM 0 H SER A 51 7.974 3.091 3.882 1.00 0.00 H new ATOM 0 HA SER A 51 5.642 1.609 3.453 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.560 1.509 5.785 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.432 0.260 5.298 1.00 0.00 H new ATOM 0 HG SER A 51 8.619 1.294 3.750 1.00 0.00 H new ATOM 777 N GLU A 52 5.587 3.494 6.211 1.00 0.00 N ATOM 778 CA GLU A 52 4.672 4.252 7.065 1.00 0.00 C ATOM 779 C GLU A 52 3.610 4.978 6.238 1.00 0.00 C ATOM 780 O GLU A 52 2.426 4.774 6.492 1.00 0.00 O ATOM 781 CB GLU A 52 5.424 5.255 7.954 1.00 0.00 C ATOM 782 CG GLU A 52 6.114 4.608 9.163 1.00 0.00 C ATOM 783 CD GLU A 52 5.398 4.884 10.486 1.00 0.00 C ATOM 784 OE1 GLU A 52 5.049 6.047 10.787 1.00 0.00 O ATOM 785 OE2 GLU A 52 5.146 3.905 11.224 1.00 0.00 O ATOM 0 H GLU A 52 6.571 3.598 6.460 1.00 0.00 H new ATOM 0 HA GLU A 52 4.174 3.530 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.172 5.771 7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.723 6.011 8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.171 3.531 9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.138 4.976 9.228 1.00 0.00 H new ATOM 792 N PHE A 53 3.982 5.779 5.236 1.00 0.00 N ATOM 793 CA PHE A 53 2.997 6.560 4.506 1.00 0.00 C ATOM 794 C PHE A 53 1.949 5.668 3.826 1.00 0.00 C ATOM 795 O PHE A 53 0.784 6.057 3.739 1.00 0.00 O ATOM 796 CB PHE A 53 3.691 7.434 3.451 1.00 0.00 C ATOM 797 CG PHE A 53 4.771 8.372 3.955 1.00 0.00 C ATOM 798 CD1 PHE A 53 4.667 9.001 5.215 1.00 0.00 C ATOM 799 CD2 PHE A 53 5.928 8.560 3.173 1.00 0.00 C ATOM 800 CE1 PHE A 53 5.742 9.758 5.711 1.00 0.00 C ATOM 801 CE2 PHE A 53 7.010 9.290 3.689 1.00 0.00 C ATOM 802 CZ PHE A 53 6.920 9.889 4.959 1.00 0.00 C ATOM 0 H PHE A 53 4.944 5.899 4.920 1.00 0.00 H new ATOM 0 HA PHE A 53 2.482 7.193 5.229 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.132 6.778 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.930 8.029 2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.763 8.900 5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.982 8.143 2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.662 10.241 6.674 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.915 9.392 3.109 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.755 10.448 5.354 1.00 0.00 H new ATOM 812 N ILE A 54 2.336 4.491 3.336 1.00 0.00 N ATOM 813 CA ILE A 54 1.418 3.517 2.762 1.00 0.00 C ATOM 814 C ILE A 54 0.520 2.968 3.871 1.00 0.00 C ATOM 815 O ILE A 54 -0.704 2.960 3.724 1.00 0.00 O ATOM 816 CB ILE A 54 2.218 2.415 2.035 1.00 0.00 C ATOM 817 CG1 ILE A 54 2.983 3.011 0.826 1.00 0.00 C ATOM 818 CG2 ILE A 54 1.295 1.290 1.538 1.00 0.00 C ATOM 819 CD1 ILE A 54 4.214 2.190 0.437 1.00 0.00 C ATOM 0 H ILE A 54 3.309 4.186 3.328 1.00 0.00 H new ATOM 0 HA ILE A 54 0.773 3.982 2.016 1.00 0.00 H new ATOM 0 HB ILE A 54 2.926 1.999 2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.309 3.074 -0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.292 4.029 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.889 0.530 1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.779 0.841 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.562 1.701 0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.708 2.657 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.905 2.149 1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.907 1.179 0.170 1.00 0.00 H new ATOM 831 N LEU A 55 1.123 2.468 4.949 1.00 0.00 N ATOM 832 CA LEU A 55 0.449 1.726 6.002 1.00 0.00 C ATOM 833 C LEU A 55 -0.573 2.617 6.705 1.00 0.00 C ATOM 834 O LEU A 55 -1.730 2.224 6.846 1.00 0.00 O ATOM 835 CB LEU A 55 1.458 1.188 7.025 1.00 0.00 C ATOM 836 CG LEU A 55 2.547 0.245 6.495 1.00 0.00 C ATOM 837 CD1 LEU A 55 3.744 0.289 7.444 1.00 0.00 C ATOM 838 CD2 LEU A 55 2.043 -1.186 6.315 1.00 0.00 C ATOM 0 H LEU A 55 2.124 2.574 5.114 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.065 0.881 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.947 2.039 7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.905 0.664 7.804 1.00 0.00 H new ATOM 0 HG LEU A 55 2.846 0.588 5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.524 -0.378 7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.131 1.307 7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.432 -0.031 8.438 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.852 -1.812 5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.700 -1.574 7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.217 -1.194 5.604 1.00 0.00 H new ATOM 850 N LYS A 56 -0.169 3.827 7.113 1.00 0.00 N ATOM 851 CA LYS A 56 -1.030 4.776 7.820 1.00 0.00 C ATOM 852 C LYS A 56 -2.237 5.165 6.975 1.00 0.00 C ATOM 853 O LYS A 56 -3.252 5.594 7.532 1.00 0.00 O ATOM 854 CB LYS A 56 -0.255 6.049 8.210 1.00 0.00 C ATOM 855 CG LYS A 56 0.953 5.838 9.140 1.00 0.00 C ATOM 856 CD LYS A 56 0.650 5.277 10.526 1.00 0.00 C ATOM 857 CE LYS A 56 1.948 4.764 11.164 1.00 0.00 C ATOM 858 NZ LYS A 56 2.630 5.740 12.039 1.00 0.00 N ATOM 0 H LYS A 56 0.777 4.176 6.958 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.375 4.276 8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.093 6.534 7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.946 6.739 8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.653 5.165 8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.462 6.794 9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.204 6.049 11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.076 4.468 10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.723 3.870 11.745 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.634 4.465 10.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.465 6.121 11.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.977 6.517 12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.929 5.270 12.917 1.00 0.00 H new ATOM 872 N ARG A 57 -2.181 5.029 5.643 1.00 0.00 N ATOM 873 CA ARG A 57 -3.338 5.264 4.801 1.00 0.00 C ATOM 874 C ARG A 57 -4.439 4.303 5.182 1.00 0.00 C ATOM 875 O ARG A 57 -5.586 4.695 5.038 1.00 0.00 O ATOM 876 CB ARG A 57 -2.941 5.172 3.304 1.00 0.00 C ATOM 877 CG ARG A 57 -3.836 5.943 2.321 1.00 0.00 C ATOM 878 CD ARG A 57 -4.152 7.367 2.758 1.00 0.00 C ATOM 879 NE ARG A 57 -2.958 8.186 3.049 1.00 0.00 N ATOM 880 CZ ARG A 57 -2.750 9.453 2.656 1.00 0.00 C ATOM 881 NH1 ARG A 57 -3.688 10.158 2.036 1.00 0.00 N ATOM 882 NH2 ARG A 57 -1.578 10.024 2.870 1.00 0.00 N ATOM 0 H ARG A 57 -1.340 4.756 5.135 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.720 6.273 4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.919 5.536 3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.937 4.121 3.014 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.347 5.973 1.347 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.771 5.397 2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.733 7.856 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.781 7.332 3.647 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.221 7.747 3.601 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.598 9.739 1.845 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.499 11.119 1.750 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.834 9.502 3.333 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.418 10.986 2.572 1.00 0.00 H new ATOM 896 N LEU A 58 -4.180 3.046 5.555 1.00 0.00 N ATOM 897 CA LEU A 58 -5.250 2.057 5.772 1.00 0.00 C ATOM 898 C LEU A 58 -6.063 2.391 7.028 1.00 0.00 C ATOM 899 O LEU A 58 -7.210 1.956 7.153 1.00 0.00 O ATOM 900 CB LEU A 58 -4.702 0.617 5.853 1.00 0.00 C ATOM 901 CG LEU A 58 -4.205 -0.053 4.552 1.00 0.00 C ATOM 902 CD1 LEU A 58 -5.267 -0.197 3.452 1.00 0.00 C ATOM 903 CD2 LEU A 58 -3.000 0.647 3.933 1.00 0.00 C ATOM 0 H LEU A 58 -3.239 2.685 5.714 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.909 2.110 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.876 0.615 6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.486 -0.014 6.273 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.928 -1.048 4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.824 -0.677 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.093 -0.805 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.639 0.789 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.704 0.125 3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.262 1.677 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.172 0.640 4.642 1.00 0.00 H new ATOM 915 N ASP A 59 -5.515 3.218 7.917 1.00 0.00 N ATOM 916 CA ASP A 59 -6.174 3.666 9.140 1.00 0.00 C ATOM 917 C ASP A 59 -7.268 4.711 8.858 1.00 0.00 C ATOM 918 O ASP A 59 -8.069 5.023 9.735 1.00 0.00 O ATOM 919 CB ASP A 59 -5.108 4.217 10.108 1.00 0.00 C ATOM 920 CG ASP A 59 -5.240 3.591 11.497 1.00 0.00 C ATOM 921 OD1 ASP A 59 -6.179 3.931 12.248 1.00 0.00 O ATOM 922 OD2 ASP A 59 -4.350 2.787 11.865 1.00 0.00 O ATOM 0 H ASP A 59 -4.578 3.604 7.803 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.678 2.815 9.599 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.114 4.016 9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.208 5.300 10.184 1.00 0.00 H new ATOM 927 N ASN A 60 -7.321 5.289 7.650 1.00 0.00 N ATOM 928 CA ASN A 60 -8.240 6.383 7.311 1.00 0.00 C ATOM 929 C ASN A 60 -9.708 5.901 7.259 1.00 0.00 C ATOM 930 O ASN A 60 -9.972 4.714 7.050 1.00 0.00 O ATOM 931 CB ASN A 60 -7.812 7.004 5.969 1.00 0.00 C ATOM 932 CG ASN A 60 -8.370 8.402 5.786 1.00 0.00 C ATOM 933 OD1 ASN A 60 -9.476 8.547 5.081 1.00 0.00 O flip ATOM 934 ND2 ASN A 60 -7.794 9.371 6.268 1.00 0.00 N flip ATOM 0 H ASN A 60 -6.722 5.007 6.874 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.187 7.140 8.093 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.724 7.038 5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.151 6.368 5.151 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.940 9.239 6.810 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.169 10.309 6.127 1.00 0.00 H new ATOM 941 N LYS A 61 -10.687 6.803 7.409 1.00 0.00 N ATOM 942 CA LYS A 61 -12.123 6.480 7.373 1.00 0.00 C ATOM 943 C LYS A 61 -12.543 6.016 5.976 1.00 0.00 C ATOM 944 O LYS A 61 -13.020 4.889 5.812 1.00 0.00 O ATOM 945 CB LYS A 61 -12.946 7.701 7.843 1.00 0.00 C ATOM 946 CG LYS A 61 -12.815 7.909 9.364 1.00 0.00 C ATOM 947 CD LYS A 61 -13.186 9.312 9.877 1.00 0.00 C ATOM 948 CE LYS A 61 -14.573 9.413 10.532 1.00 0.00 C ATOM 949 NZ LYS A 61 -15.688 9.473 9.570 1.00 0.00 N ATOM 0 H LYS A 61 -10.502 7.794 7.561 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.320 5.654 8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.606 8.595 7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.995 7.559 7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.447 7.178 9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.786 7.695 9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.434 9.630 10.600 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.142 10.012 9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.718 8.554 11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.602 10.302 11.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.588 9.540 10.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.576 10.308 8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.688 8.614 8.984 1.00 0.00 H new ATOM 963 N SER A 62 -12.345 6.864 4.972 1.00 0.00 N ATOM 964 CA SER A 62 -12.784 6.727 3.587 1.00 0.00 C ATOM 965 C SER A 62 -12.442 5.360 2.982 1.00 0.00 C ATOM 966 O SER A 62 -11.278 4.968 2.992 1.00 0.00 O ATOM 967 CB SER A 62 -12.143 7.856 2.781 1.00 0.00 C ATOM 968 OG SER A 62 -12.001 9.032 3.563 1.00 0.00 O ATOM 0 H SER A 62 -11.833 7.734 5.117 1.00 0.00 H new ATOM 0 HA SER A 62 -13.871 6.795 3.556 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.166 7.537 2.419 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.753 8.071 1.904 1.00 0.00 H new ATOM 0 HG SER A 62 -11.128 9.025 4.009 1.00 0.00 H new ATOM 974 N PRO A 63 -13.404 4.624 2.406 1.00 0.00 N ATOM 975 CA PRO A 63 -13.127 3.337 1.789 1.00 0.00 C ATOM 976 C PRO A 63 -12.279 3.479 0.517 1.00 0.00 C ATOM 977 O PRO A 63 -11.493 2.591 0.195 1.00 0.00 O ATOM 978 CB PRO A 63 -14.510 2.740 1.514 1.00 0.00 C ATOM 979 CG PRO A 63 -15.419 3.950 1.337 1.00 0.00 C ATOM 980 CD PRO A 63 -14.820 4.944 2.318 1.00 0.00 C ATOM 0 HA PRO A 63 -12.531 2.690 2.432 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.502 2.115 0.621 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.842 2.111 2.340 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.402 4.326 0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.457 3.718 1.574 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.967 5.968 1.974 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.299 4.864 3.294 1.00 0.00 H new ATOM 988 N ILE A 64 -12.410 4.598 -0.201 1.00 0.00 N ATOM 989 CA ILE A 64 -11.757 4.830 -1.490 1.00 0.00 C ATOM 990 C ILE A 64 -10.265 4.776 -1.273 1.00 0.00 C ATOM 991 O ILE A 64 -9.578 3.929 -1.847 1.00 0.00 O ATOM 992 CB ILE A 64 -12.202 6.192 -2.059 1.00 0.00 C ATOM 993 CG1 ILE A 64 -13.700 6.151 -2.377 1.00 0.00 C ATOM 994 CG2 ILE A 64 -11.432 6.623 -3.308 1.00 0.00 C ATOM 995 CD1 ILE A 64 -14.427 7.400 -1.883 1.00 0.00 C ATOM 0 H ILE A 64 -12.985 5.383 0.105 1.00 0.00 H new ATOM 0 HA ILE A 64 -12.038 4.067 -2.216 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.984 6.931 -1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.839 6.053 -3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.144 5.268 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.802 7.590 -3.648 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.371 6.704 -3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.573 5.883 -4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.486 7.326 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -14.312 7.484 -0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.003 8.282 -2.363 1.00 0.00 H new ATOM 1007 N VAL A 65 -9.794 5.651 -0.389 1.00 0.00 N ATOM 1008 CA VAL A 65 -8.402 5.757 -0.048 1.00 0.00 C ATOM 1009 C VAL A 65 -7.853 4.407 0.413 1.00 0.00 C ATOM 1010 O VAL A 65 -6.683 4.126 0.151 1.00 0.00 O ATOM 1011 CB VAL A 65 -8.252 6.894 0.978 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.254 6.470 2.438 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -6.931 7.586 0.741 1.00 0.00 C ATOM 0 H VAL A 65 -10.389 6.311 0.112 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.795 6.016 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.127 7.525 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.143 7.349 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.195 5.971 2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.426 5.785 2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.810 8.395 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.118 6.869 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.910 7.994 -0.270 1.00 0.00 H new ATOM 1023 N LYS A 66 -8.685 3.583 1.080 1.00 0.00 N ATOM 1024 CA LYS A 66 -8.225 2.282 1.565 1.00 0.00 C ATOM 1025 C LYS A 66 -7.824 1.450 0.355 1.00 0.00 C ATOM 1026 O LYS A 66 -6.684 1.008 0.238 1.00 0.00 O ATOM 1027 CB LYS A 66 -9.266 1.498 2.402 1.00 0.00 C ATOM 1028 CG LYS A 66 -8.992 1.360 3.905 1.00 0.00 C ATOM 1029 CD LYS A 66 -9.931 2.201 4.769 1.00 0.00 C ATOM 1030 CE LYS A 66 -11.213 1.477 5.155 1.00 0.00 C ATOM 1031 NZ LYS A 66 -11.955 2.311 6.131 1.00 0.00 N ATOM 0 H LYS A 66 -9.660 3.796 1.289 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.391 2.470 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.234 1.983 2.278 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.354 0.497 1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.087 0.312 4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.962 1.653 4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.406 2.502 5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.187 3.114 4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.825 1.295 4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.982 0.504 5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.911 1.924 6.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.453 2.309 7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.022 3.286 5.775 1.00 0.00 H new ATOM 1045 N GLN A 67 -8.798 1.212 -0.527 1.00 0.00 N ATOM 1046 CA GLN A 67 -8.642 0.391 -1.718 1.00 0.00 C ATOM 1047 C GLN A 67 -7.469 0.907 -2.565 1.00 0.00 C ATOM 1048 O GLN A 67 -6.739 0.103 -3.149 1.00 0.00 O ATOM 1049 CB GLN A 67 -10.003 0.359 -2.440 1.00 0.00 C ATOM 1050 CG GLN A 67 -10.049 -0.568 -3.672 1.00 0.00 C ATOM 1051 CD GLN A 67 -9.479 0.034 -4.966 1.00 0.00 C ATOM 1052 OE1 GLN A 67 -9.099 1.202 -5.034 1.00 0.00 O ATOM 1053 NE2 GLN A 67 -9.430 -0.735 -6.040 1.00 0.00 N ATOM 0 H GLN A 67 -9.737 1.597 -0.425 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.376 -0.639 -1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.769 0.041 -1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.259 1.371 -2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.498 -1.480 -3.441 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.085 -0.857 -3.850 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.744 -1.704 -5.988 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.078 -0.359 -6.921 1.00 0.00 H new ATOM 1062 N LYS A 68 -7.233 2.225 -2.589 1.00 0.00 N ATOM 1063 CA LYS A 68 -6.115 2.800 -3.322 1.00 0.00 C ATOM 1064 C LYS A 68 -4.765 2.400 -2.741 1.00 0.00 C ATOM 1065 O LYS A 68 -3.900 2.020 -3.537 1.00 0.00 O ATOM 1066 CB LYS A 68 -6.241 4.321 -3.437 1.00 0.00 C ATOM 1067 CG LYS A 68 -7.443 4.708 -4.303 1.00 0.00 C ATOM 1068 CD LYS A 68 -7.220 6.000 -5.080 1.00 0.00 C ATOM 1069 CE LYS A 68 -8.375 6.107 -6.068 1.00 0.00 C ATOM 1070 NZ LYS A 68 -8.371 7.372 -6.803 1.00 0.00 N ATOM 0 H LYS A 68 -7.810 2.911 -2.103 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.159 2.383 -4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.349 4.757 -2.444 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.329 4.733 -3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.655 3.900 -5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.322 4.818 -3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.201 6.859 -4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.263 5.981 -5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.321 5.280 -6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.318 6.006 -5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.951 7.277 -7.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.764 8.124 -6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.396 7.616 -7.069 1.00 0.00 H new ATOM 1084 N ALA A 69 -4.543 2.469 -1.420 1.00 0.00 N ATOM 1085 CA ALA A 69 -3.278 1.973 -0.896 1.00 0.00 C ATOM 1086 C ALA A 69 -3.146 0.472 -1.153 1.00 0.00 C ATOM 1087 O ALA A 69 -2.023 0.001 -1.293 1.00 0.00 O ATOM 1088 CB ALA A 69 -3.146 2.259 0.598 1.00 0.00 C ATOM 0 H ALA A 69 -5.193 2.846 -0.730 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.476 2.497 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.191 1.876 0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.194 3.335 0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.959 1.770 1.135 1.00 0.00 H new ATOM 1094 N LEU A 70 -4.250 -0.289 -1.224 1.00 0.00 N ATOM 1095 CA LEU A 70 -4.158 -1.735 -1.356 1.00 0.00 C ATOM 1096 C LEU A 70 -3.479 -2.069 -2.677 1.00 0.00 C ATOM 1097 O LEU A 70 -2.408 -2.660 -2.640 1.00 0.00 O ATOM 1098 CB LEU A 70 -5.510 -2.453 -1.183 1.00 0.00 C ATOM 1099 CG LEU A 70 -6.142 -2.373 0.226 1.00 0.00 C ATOM 1100 CD1 LEU A 70 -7.536 -2.992 0.211 1.00 0.00 C ATOM 1101 CD2 LEU A 70 -5.294 -3.045 1.303 1.00 0.00 C ATOM 0 H LEU A 70 -5.202 0.076 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.548 -2.115 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.216 -2.035 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.377 -3.504 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.201 -1.315 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.972 -2.931 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.167 -2.451 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.467 -4.037 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.793 -2.954 2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.165 -4.100 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.318 -2.562 1.352 1.00 0.00 H new ATOM 1113 N ARG A 71 -4.010 -1.687 -3.845 1.00 0.00 N ATOM 1114 CA ARG A 71 -3.358 -2.087 -5.105 1.00 0.00 C ATOM 1115 C ARG A 71 -1.903 -1.627 -5.229 1.00 0.00 C ATOM 1116 O ARG A 71 -1.135 -2.270 -5.939 1.00 0.00 O ATOM 1117 CB ARG A 71 -4.167 -1.674 -6.340 1.00 0.00 C ATOM 1118 CG ARG A 71 -4.348 -0.157 -6.486 1.00 0.00 C ATOM 1119 CD ARG A 71 -4.907 0.162 -7.878 1.00 0.00 C ATOM 1120 NE ARG A 71 -3.940 -0.122 -8.956 1.00 0.00 N ATOM 1121 CZ ARG A 71 -4.182 -0.091 -10.274 1.00 0.00 C ATOM 1122 NH1 ARG A 71 -5.420 0.015 -10.747 1.00 0.00 N ATOM 1123 NH2 ARG A 71 -3.173 -0.155 -11.134 1.00 0.00 N ATOM 0 H ARG A 71 -4.855 -1.124 -3.948 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.333 -3.176 -5.064 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.672 -2.058 -7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.149 -2.144 -6.293 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.025 0.214 -5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.393 0.349 -6.341 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.813 -0.421 -8.044 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.193 1.213 -7.919 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.992 -0.366 -8.669 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.209 0.075 -10.103 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.581 0.037 -11.754 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.215 -0.228 -10.792 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.356 -0.132 -12.137 1.00 0.00 H new ATOM 1137 N LEU A 72 -1.524 -0.533 -4.563 1.00 0.00 N ATOM 1138 CA LEU A 72 -0.150 -0.047 -4.545 1.00 0.00 C ATOM 1139 C LEU A 72 0.781 -1.021 -3.810 1.00 0.00 C ATOM 1140 O LEU A 72 1.953 -1.100 -4.184 1.00 0.00 O ATOM 1141 CB LEU A 72 -0.137 1.352 -3.900 1.00 0.00 C ATOM 1142 CG LEU A 72 1.261 1.953 -3.657 1.00 0.00 C ATOM 1143 CD1 LEU A 72 2.105 2.138 -4.925 1.00 0.00 C ATOM 1144 CD2 LEU A 72 1.104 3.293 -2.943 1.00 0.00 C ATOM 0 H LEU A 72 -2.169 0.041 -4.019 1.00 0.00 H new ATOM 0 HA LEU A 72 0.228 0.022 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.701 2.033 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.662 1.299 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 72 1.805 1.233 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.072 2.566 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.256 1.172 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.588 2.808 -5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.087 3.728 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.515 3.969 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.597 3.140 -1.990 1.00 0.00 H new ATOM 1156 N ILE A 73 0.299 -1.714 -2.768 1.00 0.00 N ATOM 1157 CA ILE A 73 1.144 -2.513 -1.885 1.00 0.00 C ATOM 1158 C ILE A 73 1.670 -3.673 -2.703 1.00 0.00 C ATOM 1159 O ILE A 73 2.825 -3.644 -3.110 1.00 0.00 O ATOM 1160 CB ILE A 73 0.444 -2.923 -0.570 1.00 0.00 C ATOM 1161 CG1 ILE A 73 0.272 -1.689 0.335 1.00 0.00 C ATOM 1162 CG2 ILE A 73 1.288 -3.950 0.216 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -0.840 -1.840 1.376 1.00 0.00 C ATOM 0 H ILE A 73 -0.690 -1.733 -2.518 1.00 0.00 H new ATOM 0 HA ILE A 73 1.983 -1.919 -1.524 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.519 -3.359 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.213 -1.491 0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.059 -0.820 -0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.769 -4.219 1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.434 -4.843 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.257 -3.514 0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.902 -0.932 1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.791 -2.007 0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.620 -2.689 2.023 1.00 0.00 H new ATOM 1175 N LYS A 74 0.827 -4.667 -2.997 1.00 0.00 N ATOM 1176 CA LYS A 74 1.220 -5.863 -3.737 1.00 0.00 C ATOM 1177 C LYS A 74 2.062 -5.547 -4.973 1.00 0.00 C ATOM 1178 O LYS A 74 3.054 -6.237 -5.199 1.00 0.00 O ATOM 1179 CB LYS A 74 -0.020 -6.701 -4.079 1.00 0.00 C ATOM 1180 CG LYS A 74 -1.058 -5.942 -4.923 1.00 0.00 C ATOM 1181 CD LYS A 74 -1.327 -6.688 -6.226 1.00 0.00 C ATOM 1182 CE LYS A 74 -2.248 -5.924 -7.169 1.00 0.00 C ATOM 1183 NZ LYS A 74 -2.657 -6.780 -8.304 1.00 0.00 N ATOM 0 H LYS A 74 -0.156 -4.661 -2.724 1.00 0.00 H new ATOM 0 HA LYS A 74 1.868 -6.454 -3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.293 -7.595 -4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.490 -7.035 -3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.985 -5.833 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.696 -4.937 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.380 -6.882 -6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.771 -7.657 -5.999 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.130 -5.583 -6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.739 -5.035 -7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.284 -6.242 -8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.814 -7.085 -8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.161 -7.616 -7.945 1.00 0.00 H new ATOM 1197 N TYR A 75 1.699 -4.492 -5.715 1.00 0.00 N ATOM 1198 CA TYR A 75 2.420 -4.047 -6.892 1.00 0.00 C ATOM 1199 C TYR A 75 3.890 -3.811 -6.551 1.00 0.00 C ATOM 1200 O TYR A 75 4.761 -4.426 -7.160 1.00 0.00 O ATOM 1201 CB TYR A 75 1.730 -2.805 -7.502 1.00 0.00 C ATOM 1202 CG TYR A 75 2.241 -2.401 -8.874 1.00 0.00 C ATOM 1203 CD1 TYR A 75 2.453 -3.405 -9.837 1.00 0.00 C ATOM 1204 CD2 TYR A 75 2.524 -1.053 -9.204 1.00 0.00 C ATOM 1205 CE1 TYR A 75 2.997 -3.092 -11.085 1.00 0.00 C ATOM 1206 CE2 TYR A 75 3.080 -0.743 -10.458 1.00 0.00 C ATOM 1207 CZ TYR A 75 3.332 -1.762 -11.400 1.00 0.00 C ATOM 1208 OH TYR A 75 3.943 -1.486 -12.582 1.00 0.00 O ATOM 0 H TYR A 75 0.881 -3.921 -5.502 1.00 0.00 H new ATOM 0 HA TYR A 75 2.397 -4.824 -7.656 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.660 -2.999 -7.571 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.858 -1.964 -6.820 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.192 -4.428 -9.609 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.314 -0.266 -8.495 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.161 -3.874 -11.811 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.316 0.282 -10.701 1.00 0.00 H new ATOM 0 HH TYR A 75 4.106 -0.522 -12.649 1.00 0.00 H new ATOM 1218 N ALA A 76 4.177 -2.951 -5.573 1.00 0.00 N ATOM 1219 CA ALA A 76 5.545 -2.673 -5.162 1.00 0.00 C ATOM 1220 C ALA A 76 6.186 -3.819 -4.354 1.00 0.00 C ATOM 1221 O ALA A 76 7.398 -4.010 -4.442 1.00 0.00 O ATOM 1222 CB ALA A 76 5.566 -1.385 -4.345 1.00 0.00 C ATOM 0 H ALA A 76 3.471 -2.433 -5.050 1.00 0.00 H new ATOM 0 HA ALA A 76 6.141 -2.568 -6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.588 -1.169 -4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.191 -0.562 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.935 -1.502 -3.464 1.00 0.00 H new ATOM 1228 N VAL A 77 5.424 -4.599 -3.573 1.00 0.00 N ATOM 1229 CA VAL A 77 5.974 -5.701 -2.771 1.00 0.00 C ATOM 1230 C VAL A 77 6.618 -6.750 -3.689 1.00 0.00 C ATOM 1231 O VAL A 77 7.681 -7.291 -3.368 1.00 0.00 O ATOM 1232 CB VAL A 77 4.917 -6.349 -1.850 1.00 0.00 C ATOM 1233 CG1 VAL A 77 5.610 -7.433 -1.017 1.00 0.00 C ATOM 1234 CG2 VAL A 77 4.321 -5.418 -0.791 1.00 0.00 C ATOM 0 H VAL A 77 4.415 -4.484 -3.480 1.00 0.00 H new ATOM 0 HA VAL A 77 6.738 -5.279 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 77 4.129 -6.687 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.882 -7.906 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.039 -8.183 -1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.402 -6.982 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.590 -5.965 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.115 -5.050 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.833 -4.576 -1.281 1.00 0.00 H new ATOM 1244 N GLY A 78 6.019 -6.999 -4.854 1.00 0.00 N ATOM 1245 CA GLY A 78 6.547 -7.915 -5.858 1.00 0.00 C ATOM 1246 C GLY A 78 7.714 -7.338 -6.662 1.00 0.00 C ATOM 1247 O GLY A 78 8.039 -7.886 -7.714 1.00 0.00 O ATOM 0 H GLY A 78 5.139 -6.561 -5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.874 -8.831 -5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.746 -8.190 -6.544 1.00 0.00 H new ATOM 1251 N LYS A 79 8.299 -6.205 -6.245 1.00 0.00 N ATOM 1252 CA LYS A 79 9.255 -5.440 -7.044 1.00 0.00 C ATOM 1253 C LYS A 79 10.378 -4.890 -6.186 1.00 0.00 C ATOM 1254 O LYS A 79 11.511 -5.306 -6.382 1.00 0.00 O ATOM 1255 CB LYS A 79 8.545 -4.282 -7.746 1.00 0.00 C ATOM 1256 CG LYS A 79 7.577 -4.741 -8.825 1.00 0.00 C ATOM 1257 CD LYS A 79 6.867 -3.510 -9.381 1.00 0.00 C ATOM 1258 CE LYS A 79 5.853 -3.857 -10.451 1.00 0.00 C ATOM 1259 NZ LYS A 79 6.489 -4.404 -11.658 1.00 0.00 N ATOM 0 H LYS A 79 8.116 -5.793 -5.330 1.00 0.00 H new ATOM 0 HA LYS A 79 9.683 -6.116 -7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.002 -3.694 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.290 -3.623 -8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.112 -5.263 -9.619 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.853 -5.444 -8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.366 -2.985 -8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.606 -2.824 -9.795 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.143 -4.583 -10.055 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.284 -2.965 -10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.772 -4.532 -12.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.221 -3.746 -11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.925 -5.322 -11.435 1.00 0.00 H new ATOM 1273 N SER A 80 10.069 -3.945 -5.292 1.00 0.00 N ATOM 1274 CA SER A 80 10.977 -3.059 -4.586 1.00 0.00 C ATOM 1275 C SER A 80 12.196 -3.839 -4.104 1.00 0.00 C ATOM 1276 O SER A 80 13.272 -3.744 -4.692 1.00 0.00 O ATOM 1277 CB SER A 80 10.160 -2.372 -3.478 1.00 0.00 C ATOM 1278 OG SER A 80 10.837 -1.324 -2.825 1.00 0.00 O ATOM 0 H SER A 80 9.099 -3.773 -5.028 1.00 0.00 H new ATOM 0 HA SER A 80 11.391 -2.277 -5.223 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.240 -1.980 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.872 -3.119 -2.739 1.00 0.00 H new ATOM 0 HG SER A 80 10.255 -0.937 -2.138 1.00 0.00 H new ATOM 1284 N GLY A 81 12.021 -4.676 -3.086 1.00 0.00 N ATOM 1285 CA GLY A 81 13.082 -5.512 -2.569 1.00 0.00 C ATOM 1286 C GLY A 81 12.805 -5.888 -1.130 1.00 0.00 C ATOM 1287 O GLY A 81 11.785 -5.479 -0.562 1.00 0.00 O ATOM 0 H GLY A 81 11.132 -4.789 -2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.172 -6.413 -3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.034 -4.986 -2.637 1.00 0.00 H new ATOM 1291 N SER A 82 13.732 -6.642 -0.542 1.00 0.00 N ATOM 1292 CA SER A 82 13.635 -7.104 0.832 1.00 0.00 C ATOM 1293 C SER A 82 13.380 -5.938 1.784 1.00 0.00 C ATOM 1294 O SER A 82 12.514 -6.050 2.644 1.00 0.00 O ATOM 1295 CB SER A 82 14.911 -7.847 1.228 1.00 0.00 C ATOM 1296 OG SER A 82 15.319 -8.741 0.205 1.00 0.00 O ATOM 0 H SER A 82 14.580 -6.950 -1.017 1.00 0.00 H new ATOM 0 HA SER A 82 12.790 -7.789 0.905 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.707 -7.129 1.427 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.742 -8.400 2.152 1.00 0.00 H new ATOM 0 HG SER A 82 16.138 -9.203 0.482 1.00 0.00 H new ATOM 1302 N GLU A 83 14.066 -4.806 1.572 1.00 0.00 N ATOM 1303 CA GLU A 83 14.010 -3.636 2.448 1.00 0.00 C ATOM 1304 C GLU A 83 12.630 -2.994 2.542 1.00 0.00 C ATOM 1305 O GLU A 83 12.371 -2.281 3.511 1.00 0.00 O ATOM 1306 CB GLU A 83 15.032 -2.572 2.025 1.00 0.00 C ATOM 1307 CG GLU A 83 16.495 -3.029 2.024 1.00 0.00 C ATOM 1308 CD GLU A 83 16.865 -4.018 3.144 1.00 0.00 C ATOM 1309 OE1 GLU A 83 16.517 -3.801 4.328 1.00 0.00 O ATOM 1310 OE2 GLU A 83 17.608 -4.979 2.844 1.00 0.00 O ATOM 0 H GLU A 83 14.685 -4.680 0.771 1.00 0.00 H new ATOM 0 HA GLU A 83 14.255 -4.019 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.777 -2.225 1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.937 -1.716 2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.715 -3.493 1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.135 -2.151 2.108 1.00 0.00 H new ATOM 1317 N PHE A 84 11.737 -3.271 1.592 1.00 0.00 N ATOM 1318 CA PHE A 84 10.340 -2.862 1.648 1.00 0.00 C ATOM 1319 C PHE A 84 9.444 -3.989 2.133 1.00 0.00 C ATOM 1320 O PHE A 84 8.384 -3.734 2.707 1.00 0.00 O ATOM 1321 CB PHE A 84 9.930 -2.381 0.247 1.00 0.00 C ATOM 1322 CG PHE A 84 8.467 -2.022 0.114 1.00 0.00 C ATOM 1323 CD1 PHE A 84 7.934 -0.937 0.832 1.00 0.00 C ATOM 1324 CD2 PHE A 84 7.619 -2.814 -0.679 1.00 0.00 C ATOM 1325 CE1 PHE A 84 6.563 -0.654 0.773 1.00 0.00 C ATOM 1326 CE2 PHE A 84 6.244 -2.543 -0.720 1.00 0.00 C ATOM 1327 CZ PHE A 84 5.708 -1.477 0.023 1.00 0.00 C ATOM 0 H PHE A 84 11.971 -3.795 0.749 1.00 0.00 H new ATOM 0 HA PHE A 84 10.223 -2.052 2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.531 -1.510 -0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.167 -3.161 -0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.585 -0.318 1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.026 -3.631 -1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.164 0.197 1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.593 -3.156 -1.326 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.644 -1.292 0.017 1.00 0.00 H new ATOM 1337 N ARG A 85 9.805 -5.242 1.840 1.00 0.00 N ATOM 1338 CA ARG A 85 8.857 -6.315 2.100 1.00 0.00 C ATOM 1339 C ARG A 85 8.682 -6.488 3.603 1.00 0.00 C ATOM 1340 O ARG A 85 7.552 -6.646 4.044 1.00 0.00 O ATOM 1341 CB ARG A 85 9.145 -7.610 1.315 1.00 0.00 C ATOM 1342 CG ARG A 85 10.066 -8.662 1.956 1.00 0.00 C ATOM 1343 CD ARG A 85 10.125 -9.989 1.173 1.00 0.00 C ATOM 1344 NE ARG A 85 10.680 -9.852 -0.190 1.00 0.00 N ATOM 1345 CZ ARG A 85 10.014 -9.528 -1.310 1.00 0.00 C ATOM 1346 NH1 ARG A 85 8.687 -9.404 -1.306 1.00 0.00 N ATOM 1347 NH2 ARG A 85 10.675 -9.290 -2.435 1.00 0.00 N ATOM 0 H ARG A 85 10.701 -5.525 1.443 1.00 0.00 H new ATOM 0 HA ARG A 85 7.886 -6.025 1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.189 -8.090 1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.580 -7.328 0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.073 -8.252 2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.723 -8.863 2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.730 -10.703 1.732 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.120 -10.406 1.106 1.00 0.00 H new ATOM 0 HE ARG A 85 11.681 -10.023 -0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.163 -9.556 -0.444 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.195 -9.157 -2.165 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.693 -9.353 -2.451 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.165 -9.044 -3.284 1.00 0.00 H new ATOM 1361 N ARG A 86 9.752 -6.488 4.399 1.00 0.00 N ATOM 1362 CA ARG A 86 9.632 -6.791 5.824 1.00 0.00 C ATOM 1363 C ARG A 86 8.921 -5.660 6.559 1.00 0.00 C ATOM 1364 O ARG A 86 8.108 -5.953 7.432 1.00 0.00 O ATOM 1365 CB ARG A 86 10.992 -7.103 6.473 1.00 0.00 C ATOM 1366 CG ARG A 86 11.899 -8.040 5.665 1.00 0.00 C ATOM 1367 CD ARG A 86 11.293 -9.426 5.494 1.00 0.00 C ATOM 1368 NE ARG A 86 12.193 -10.329 4.755 1.00 0.00 N ATOM 1369 CZ ARG A 86 11.816 -11.511 4.248 1.00 0.00 C ATOM 1370 NH1 ARG A 86 10.624 -12.018 4.551 1.00 0.00 N ATOM 1371 NH2 ARG A 86 12.614 -12.180 3.424 1.00 0.00 N ATOM 0 H ARG A 86 10.701 -6.284 4.085 1.00 0.00 H new ATOM 0 HA ARG A 86 9.028 -7.694 5.910 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.521 -6.165 6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.816 -7.548 7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.086 -7.604 4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.864 -8.127 6.164 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.076 -9.851 6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.344 -9.345 4.964 1.00 0.00 H new ATOM 0 HE ARG A 86 13.161 -10.037 4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.995 -11.507 5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.339 -12.918 4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.524 -11.795 3.171 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.317 -13.079 3.044 1.00 0.00 H new ATOM 1385 N GLU A 87 9.098 -4.399 6.156 1.00 0.00 N ATOM 1386 CA GLU A 87 8.342 -3.273 6.711 1.00 0.00 C ATOM 1387 C GLU A 87 6.834 -3.496 6.536 1.00 0.00 C ATOM 1388 O GLU A 87 6.070 -3.247 7.474 1.00 0.00 O ATOM 1389 CB GLU A 87 8.748 -1.934 6.063 1.00 0.00 C ATOM 1390 CG GLU A 87 10.157 -1.406 6.394 1.00 0.00 C ATOM 1391 CD GLU A 87 10.377 -1.065 7.873 1.00 0.00 C ATOM 1392 OE1 GLU A 87 9.521 -0.386 8.493 1.00 0.00 O ATOM 1393 OE2 GLU A 87 11.426 -1.474 8.429 1.00 0.00 O ATOM 0 H GLU A 87 9.769 -4.130 5.436 1.00 0.00 H new ATOM 0 HA GLU A 87 8.579 -3.220 7.774 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.670 -2.042 4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.022 -1.177 6.361 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.891 -2.153 6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.347 -0.514 5.796 1.00 0.00 H new ATOM 1400 N MET A 88 6.409 -4.008 5.373 1.00 0.00 N ATOM 1401 CA MET A 88 5.024 -4.392 5.128 1.00 0.00 C ATOM 1402 C MET A 88 4.621 -5.573 6.024 1.00 0.00 C ATOM 1403 O MET A 88 3.541 -5.535 6.596 1.00 0.00 O ATOM 1404 CB MET A 88 4.801 -4.710 3.638 1.00 0.00 C ATOM 1405 CG MET A 88 4.945 -3.487 2.728 1.00 0.00 C ATOM 1406 SD MET A 88 3.564 -2.314 2.795 1.00 0.00 S ATOM 1407 CE MET A 88 4.376 -0.953 3.663 1.00 0.00 C ATOM 0 H MET A 88 7.025 -4.166 4.575 1.00 0.00 H new ATOM 0 HA MET A 88 4.382 -3.549 5.384 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.515 -5.472 3.326 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.805 -5.134 3.510 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.862 -2.961 2.994 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.061 -3.830 1.700 1.00 0.00 H new ATOM 0 HE1 MET A 88 3.776 -0.048 3.563 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.480 -1.205 4.718 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.363 -0.783 3.232 1.00 0.00 H new ATOM 1417 N GLN A 89 5.463 -6.604 6.189 1.00 0.00 N ATOM 1418 CA GLN A 89 5.205 -7.767 7.051 1.00 0.00 C ATOM 1419 C GLN A 89 4.952 -7.331 8.498 1.00 0.00 C ATOM 1420 O GLN A 89 3.937 -7.708 9.089 1.00 0.00 O ATOM 1421 CB GLN A 89 6.346 -8.799 6.913 1.00 0.00 C ATOM 1422 CG GLN A 89 6.393 -9.340 5.495 1.00 0.00 C ATOM 1423 CD GLN A 89 7.553 -10.270 5.217 1.00 0.00 C ATOM 1424 OE1 GLN A 89 8.341 -10.671 6.070 1.00 0.00 O ATOM 1425 NE2 GLN A 89 7.686 -10.629 3.967 1.00 0.00 N ATOM 0 H GLN A 89 6.365 -6.653 5.715 1.00 0.00 H new ATOM 0 HA GLN A 89 4.292 -8.264 6.723 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.299 -8.334 7.165 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.194 -9.617 7.617 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.462 -9.869 5.290 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.442 -8.501 4.801 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.027 -10.291 3.266 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.449 -11.247 3.692 1.00 0.00 H new ATOM 1434 N ARG A 90 5.821 -6.480 9.055 1.00 0.00 N ATOM 1435 CA ARG A 90 5.715 -5.968 10.422 1.00 0.00 C ATOM 1436 C ARG A 90 4.372 -5.310 10.680 1.00 0.00 C ATOM 1437 O ARG A 90 3.823 -5.488 11.769 1.00 0.00 O ATOM 1438 CB ARG A 90 6.829 -4.951 10.708 1.00 0.00 C ATOM 1439 CG ARG A 90 8.193 -5.627 10.845 1.00 0.00 C ATOM 1440 CD ARG A 90 9.299 -4.606 11.097 1.00 0.00 C ATOM 1441 NE ARG A 90 10.611 -5.263 11.197 1.00 0.00 N ATOM 1442 CZ ARG A 90 11.782 -4.626 11.287 1.00 0.00 C ATOM 1443 NH1 ARG A 90 11.827 -3.322 11.543 1.00 0.00 N ATOM 1444 NH2 ARG A 90 12.913 -5.300 11.134 1.00 0.00 N ATOM 0 H ARG A 90 6.635 -6.121 8.555 1.00 0.00 H new ATOM 0 HA ARG A 90 5.815 -6.826 11.086 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.866 -4.217 9.903 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.599 -4.408 11.625 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.164 -6.344 11.665 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.415 -6.189 9.938 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.315 -3.875 10.288 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.091 -4.059 12.017 1.00 0.00 H new ATOM 0 HE ARG A 90 10.628 -6.283 11.198 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.962 -2.798 11.673 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.727 -2.846 11.610 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.888 -6.303 10.948 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.808 -4.816 11.202 1.00 0.00 H new ATOM 1458 N ASN A 91 3.836 -4.568 9.708 1.00 0.00 N ATOM 1459 CA ASN A 91 2.570 -3.840 9.845 1.00 0.00 C ATOM 1460 C ASN A 91 1.515 -4.408 8.904 1.00 0.00 C ATOM 1461 O ASN A 91 0.621 -3.694 8.447 1.00 0.00 O ATOM 1462 CB ASN A 91 2.781 -2.322 9.720 1.00 0.00 C ATOM 1463 CG ASN A 91 3.713 -1.824 10.818 1.00 0.00 C ATOM 1464 OD1 ASN A 91 3.580 -2.223 11.974 1.00 0.00 O ATOM 1465 ND2 ASN A 91 4.744 -1.065 10.488 1.00 0.00 N ATOM 0 H ASN A 91 4.273 -4.454 8.793 1.00 0.00 H new ATOM 0 HA ASN A 91 2.179 -3.990 10.851 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.201 -2.086 8.742 1.00 0.00 H new ATOM 0 HB3 ASN A 91 1.822 -1.808 9.787 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.434 -0.807 11.193 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.849 -0.737 9.528 1.00 0.00 H new ATOM 1472 N SER A 92 1.592 -5.710 8.628 1.00 0.00 N ATOM 1473 CA SER A 92 0.626 -6.424 7.812 1.00 0.00 C ATOM 1474 C SER A 92 -0.781 -6.304 8.409 1.00 0.00 C ATOM 1475 O SER A 92 -1.773 -6.289 7.676 1.00 0.00 O ATOM 1476 CB SER A 92 1.109 -7.866 7.639 1.00 0.00 C ATOM 1477 OG SER A 92 1.203 -8.575 8.861 1.00 0.00 O ATOM 0 H SER A 92 2.345 -6.304 8.975 1.00 0.00 H new ATOM 0 HA SER A 92 0.551 -5.983 6.818 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.426 -8.393 6.973 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.085 -7.859 7.155 1.00 0.00 H new ATOM 0 HG SER A 92 2.104 -8.470 9.231 1.00 0.00 H new ATOM 1483 N VAL A 93 -0.863 -6.132 9.731 1.00 0.00 N ATOM 1484 CA VAL A 93 -2.092 -5.926 10.474 1.00 0.00 C ATOM 1485 C VAL A 93 -2.937 -4.794 9.898 1.00 0.00 C ATOM 1486 O VAL A 93 -4.158 -4.927 9.858 1.00 0.00 O ATOM 1487 CB VAL A 93 -1.756 -5.697 11.960 1.00 0.00 C ATOM 1488 CG1 VAL A 93 -1.061 -4.360 12.274 1.00 0.00 C ATOM 1489 CG2 VAL A 93 -3.007 -5.842 12.819 1.00 0.00 C ATOM 0 H VAL A 93 -0.037 -6.134 10.330 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.705 -6.823 10.384 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.029 -6.471 12.204 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.867 -4.294 13.344 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.118 -4.303 11.730 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.705 -3.535 11.970 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.751 -5.677 13.866 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.750 -5.108 12.507 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.416 -6.845 12.699 1.00 0.00 H new ATOM 1499 N ALA A 94 -2.311 -3.704 9.438 1.00 0.00 N ATOM 1500 CA ALA A 94 -3.043 -2.534 8.977 1.00 0.00 C ATOM 1501 C ALA A 94 -3.946 -2.886 7.789 1.00 0.00 C ATOM 1502 O ALA A 94 -4.977 -2.244 7.581 1.00 0.00 O ATOM 1503 CB ALA A 94 -2.055 -1.424 8.597 1.00 0.00 C ATOM 0 H ALA A 94 -1.297 -3.615 9.378 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.682 -2.179 9.785 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.606 -0.549 8.252 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.456 -1.156 9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.400 -1.777 7.801 1.00 0.00 H new ATOM 1509 N VAL A 95 -3.560 -3.910 7.026 1.00 0.00 N ATOM 1510 CA VAL A 95 -4.296 -4.437 5.896 1.00 0.00 C ATOM 1511 C VAL A 95 -5.268 -5.515 6.392 1.00 0.00 C ATOM 1512 O VAL A 95 -6.468 -5.417 6.138 1.00 0.00 O ATOM 1513 CB VAL A 95 -3.300 -4.881 4.808 1.00 0.00 C ATOM 1514 CG1 VAL A 95 -4.010 -5.326 3.531 1.00 0.00 C ATOM 1515 CG2 VAL A 95 -2.315 -3.758 4.431 1.00 0.00 C ATOM 0 H VAL A 95 -2.687 -4.410 7.193 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.922 -3.684 5.418 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.755 -5.720 5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.270 -5.631 2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.667 -6.166 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.600 -4.499 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.632 -4.116 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.870 -2.899 4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.745 -3.463 5.312 1.00 0.00 H new ATOM 1525 N ARG A 96 -4.775 -6.508 7.141 1.00 0.00 N ATOM 1526 CA ARG A 96 -5.534 -7.642 7.688 1.00 0.00 C ATOM 1527 C ARG A 96 -6.776 -7.179 8.450 1.00 0.00 C ATOM 1528 O ARG A 96 -7.845 -7.782 8.344 1.00 0.00 O ATOM 1529 CB ARG A 96 -4.611 -8.439 8.627 1.00 0.00 C ATOM 1530 CG ARG A 96 -3.490 -9.174 7.902 1.00 0.00 C ATOM 1531 CD ARG A 96 -2.266 -9.511 8.758 1.00 0.00 C ATOM 1532 NE ARG A 96 -2.515 -10.467 9.829 1.00 0.00 N ATOM 1533 CZ ARG A 96 -1.557 -10.895 10.658 1.00 0.00 C ATOM 1534 NH1 ARG A 96 -0.302 -10.472 10.528 1.00 0.00 N ATOM 1535 NH2 ARG A 96 -1.867 -11.762 11.610 1.00 0.00 N ATOM 0 H ARG A 96 -3.788 -6.546 7.395 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.875 -8.266 6.862 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -4.174 -7.758 9.358 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.208 -9.162 9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.892 -10.100 7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.166 -8.566 7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.485 -9.908 8.110 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.880 -8.590 9.195 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.462 -10.826 9.952 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.060 -9.812 9.788 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.418 -10.807 11.168 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.827 -12.095 11.704 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -1.146 -12.097 12.249 1.00 0.00 H new ATOM 1549 N ASN A 97 -6.679 -6.065 9.173 1.00 0.00 N ATOM 1550 CA ASN A 97 -7.778 -5.471 9.928 1.00 0.00 C ATOM 1551 C ASN A 97 -8.922 -4.941 9.043 1.00 0.00 C ATOM 1552 O ASN A 97 -9.912 -4.423 9.564 1.00 0.00 O ATOM 1553 CB ASN A 97 -7.217 -4.369 10.841 1.00 0.00 C ATOM 1554 CG ASN A 97 -8.214 -3.972 11.916 1.00 0.00 C ATOM 1555 OD1 ASN A 97 -8.682 -2.838 11.964 1.00 0.00 O ATOM 1556 ND2 ASN A 97 -8.558 -4.877 12.814 1.00 0.00 N ATOM 0 H ASN A 97 -5.810 -5.537 9.251 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.231 -6.260 10.529 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.296 -4.717 11.309 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.960 -3.495 10.242 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.217 -4.636 13.554 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.165 -5.817 12.767 1.00 0.00 H new ATOM 1563 N LEU A 98 -8.847 -5.099 7.718 1.00 0.00 N ATOM 1564 CA LEU A 98 -9.885 -4.758 6.750 1.00 0.00 C ATOM 1565 C LEU A 98 -10.491 -5.974 6.062 1.00 0.00 C ATOM 1566 O LEU A 98 -11.422 -5.770 5.278 1.00 0.00 O ATOM 1567 CB LEU A 98 -9.314 -3.814 5.684 1.00 0.00 C ATOM 1568 CG LEU A 98 -8.785 -2.469 6.207 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -7.903 -1.862 5.127 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -9.921 -1.522 6.601 1.00 0.00 C ATOM 0 H LEU A 98 -8.016 -5.489 7.272 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.683 -4.273 7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.504 -4.327 5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.090 -3.617 4.945 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.205 -2.633 7.115 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.513 -0.904 5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.074 -2.536 4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.490 -1.710 4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.503 -0.584 6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.549 -1.326 5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.521 -1.981 7.387 1.00 0.00 H new ATOM 1582 N PHE A 99 -10.067 -7.202 6.392 1.00 0.00 N ATOM 1583 CA PHE A 99 -10.686 -8.422 5.859 1.00 0.00 C ATOM 1584 C PHE A 99 -12.218 -8.385 5.973 1.00 0.00 C ATOM 1585 O PHE A 99 -12.920 -8.883 5.091 1.00 0.00 O ATOM 1586 CB PHE A 99 -10.128 -9.676 6.563 1.00 0.00 C ATOM 1587 CG PHE A 99 -8.887 -10.295 5.948 1.00 0.00 C ATOM 1588 CD1 PHE A 99 -7.777 -9.493 5.644 1.00 0.00 C ATOM 1589 CD2 PHE A 99 -8.797 -11.688 5.737 1.00 0.00 C ATOM 1590 CE1 PHE A 99 -6.593 -10.087 5.190 1.00 0.00 C ATOM 1591 CE2 PHE A 99 -7.610 -12.257 5.229 1.00 0.00 C ATOM 1592 CZ PHE A 99 -6.500 -11.449 4.954 1.00 0.00 C ATOM 0 H PHE A 99 -9.291 -7.376 7.031 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.433 -8.472 4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.904 -9.417 7.598 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -10.912 -10.433 6.587 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.835 -8.421 5.760 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.641 -12.322 5.966 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.727 -9.465 5.019 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.557 -13.321 5.051 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.589 -11.879 4.565 1.00 0.00 H new ATOM 1602 N HIS A 100 -12.749 -7.741 7.016 1.00 0.00 N ATOM 1603 CA HIS A 100 -14.177 -7.681 7.297 1.00 0.00 C ATOM 1604 C HIS A 100 -14.696 -6.244 7.353 1.00 0.00 C ATOM 1605 O HIS A 100 -15.706 -5.970 8.002 1.00 0.00 O ATOM 1606 CB HIS A 100 -14.474 -8.496 8.562 1.00 0.00 C ATOM 1607 CG HIS A 100 -13.843 -9.866 8.518 1.00 0.00 C ATOM 1608 ND1 HIS A 100 -14.226 -10.902 7.697 1.00 0.00 N ATOM 1609 CD2 HIS A 100 -12.720 -10.260 9.197 1.00 0.00 C ATOM 1610 CE1 HIS A 100 -13.366 -11.916 7.906 1.00 0.00 C ATOM 1611 NE2 HIS A 100 -12.430 -11.569 8.809 1.00 0.00 N ATOM 0 H HIS A 100 -12.183 -7.238 7.699 1.00 0.00 H new ATOM 0 HA HIS A 100 -14.728 -8.134 6.473 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -14.106 -7.956 9.435 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -15.553 -8.598 8.682 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -12.161 -9.665 9.904 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -13.420 -12.877 7.416 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.660 -12.149 9.144 1.00 0.00 H new ATOM 1619 N TYR A 101 -13.992 -5.304 6.713 1.00 0.00 N ATOM 1620 CA TYR A 101 -14.359 -3.900 6.731 1.00 0.00 C ATOM 1621 C TYR A 101 -15.697 -3.698 6.031 1.00 0.00 C ATOM 1622 O TYR A 101 -15.898 -4.189 4.914 1.00 0.00 O ATOM 1623 CB TYR A 101 -13.257 -3.043 6.107 1.00 0.00 C ATOM 1624 CG TYR A 101 -13.689 -1.603 5.945 1.00 0.00 C ATOM 1625 CD1 TYR A 101 -13.826 -0.766 7.070 1.00 0.00 C ATOM 1626 CD2 TYR A 101 -14.091 -1.152 4.680 1.00 0.00 C ATOM 1627 CE1 TYR A 101 -14.386 0.515 6.927 1.00 0.00 C ATOM 1628 CE2 TYR A 101 -14.612 0.138 4.527 1.00 0.00 C ATOM 1629 CZ TYR A 101 -14.772 0.976 5.648 1.00 0.00 C ATOM 1630 OH TYR A 101 -15.219 2.246 5.471 1.00 0.00 O ATOM 0 H TYR A 101 -13.152 -5.504 6.170 1.00 0.00 H new ATOM 0 HA TYR A 101 -14.471 -3.577 7.766 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -12.365 -3.087 6.732 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -12.985 -3.453 5.134 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -13.501 -1.108 8.041 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -13.999 -1.801 3.822 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -14.521 1.146 7.793 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -14.892 0.492 3.546 1.00 0.00 H new ATOM 0 HH TYR A 101 -15.438 2.387 4.526 1.00 0.00 H new ATOM 1640 N LYS A 102 -16.584 -2.938 6.676 1.00 0.00 N ATOM 1641 CA LYS A 102 -17.921 -2.634 6.178 1.00 0.00 C ATOM 1642 C LYS A 102 -18.200 -1.137 6.205 1.00 0.00 C ATOM 1643 O LYS A 102 -18.531 -0.573 5.167 1.00 0.00 O ATOM 1644 CB LYS A 102 -18.978 -3.463 6.918 1.00 0.00 C ATOM 1645 CG LYS A 102 -18.895 -3.377 8.450 1.00 0.00 C ATOM 1646 CD LYS A 102 -19.999 -4.210 9.086 1.00 0.00 C ATOM 1647 CE LYS A 102 -19.692 -4.365 10.573 1.00 0.00 C ATOM 1648 NZ LYS A 102 -20.605 -5.304 11.247 1.00 0.00 N ATOM 0 H LYS A 102 -16.385 -2.508 7.580 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.976 -2.926 5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.968 -3.134 6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.878 -4.506 6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -17.922 -3.731 8.789 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.984 -2.338 8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -20.966 -3.727 8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.059 -5.188 8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -18.666 -4.713 10.694 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.757 -3.390 11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -20.352 -5.372 12.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -21.583 -4.962 11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -20.525 -6.243 10.806 1.00 0.00 H new ATOM 1662 N GLY A 103 -17.991 -0.465 7.337 1.00 0.00 N ATOM 1663 CA GLY A 103 -18.173 0.977 7.405 1.00 0.00 C ATOM 1664 C GLY A 103 -19.600 1.390 7.043 1.00 0.00 C ATOM 1665 O GLY A 103 -20.545 0.647 7.319 1.00 0.00 O ATOM 0 H GLY A 103 -17.697 -0.897 8.213 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.939 1.325 8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.471 1.464 6.727 1.00 0.00 H new ATOM 1669 N HIS A 104 -19.758 2.606 6.513 1.00 0.00 N ATOM 1670 CA HIS A 104 -21.056 3.143 6.113 1.00 0.00 C ATOM 1671 C HIS A 104 -21.372 2.772 4.655 1.00 0.00 C ATOM 1672 O HIS A 104 -20.450 2.658 3.838 1.00 0.00 O ATOM 1673 CB HIS A 104 -21.071 4.678 6.235 1.00 0.00 C ATOM 1674 CG HIS A 104 -21.089 5.230 7.640 1.00 0.00 C ATOM 1675 ND1 HIS A 104 -21.760 6.368 8.032 1.00 0.00 N ATOM 1676 CD2 HIS A 104 -20.506 4.692 8.756 1.00 0.00 C ATOM 1677 CE1 HIS A 104 -21.595 6.506 9.358 1.00 0.00 C ATOM 1678 NE2 HIS A 104 -20.872 5.481 9.851 1.00 0.00 N ATOM 0 H HIS A 104 -18.982 3.248 6.349 1.00 0.00 H new ATOM 0 HA HIS A 104 -21.806 2.711 6.776 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -20.193 5.072 5.722 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -21.946 5.056 5.706 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -19.876 3.815 8.785 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -21.986 7.323 9.946 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -20.638 5.314 10.830 1.00 0.00 H new ATOM 1686 N PRO A 105 -22.665 2.696 4.299 1.00 0.00 N ATOM 1687 CA PRO A 105 -23.107 2.706 2.918 1.00 0.00 C ATOM 1688 C PRO A 105 -23.004 4.124 2.340 1.00 0.00 C ATOM 1689 O PRO A 105 -22.911 5.121 3.065 1.00 0.00 O ATOM 1690 CB PRO A 105 -24.565 2.254 2.977 1.00 0.00 C ATOM 1691 CG PRO A 105 -25.051 2.863 4.295 1.00 0.00 C ATOM 1692 CD PRO A 105 -23.810 2.810 5.189 1.00 0.00 C ATOM 0 HA PRO A 105 -22.502 2.061 2.280 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -25.138 2.621 2.125 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -24.653 1.168 2.976 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -25.405 3.885 4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -25.877 2.293 4.720 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -23.736 3.707 5.804 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -23.858 1.960 5.870 1.00 0.00 H new ATOM 1700 N ASP A 106 -23.137 4.231 1.024 1.00 0.00 N ATOM 1701 CA ASP A 106 -22.926 5.442 0.244 1.00 0.00 C ATOM 1702 C ASP A 106 -24.147 5.729 -0.629 1.00 0.00 C ATOM 1703 O ASP A 106 -24.821 4.781 -1.039 1.00 0.00 O ATOM 1704 CB ASP A 106 -21.702 5.239 -0.663 1.00 0.00 C ATOM 1705 CG ASP A 106 -20.664 6.338 -0.489 1.00 0.00 C ATOM 1706 OD1 ASP A 106 -20.344 6.727 0.661 1.00 0.00 O ATOM 1707 OD2 ASP A 106 -20.133 6.811 -1.513 1.00 0.00 O ATOM 0 H ASP A 106 -23.408 3.437 0.444 1.00 0.00 H new ATOM 0 HA ASP A 106 -22.766 6.281 0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -21.246 4.274 -0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -22.025 5.209 -1.704 1.00 0.00 H new ATOM 1712 N PRO A 107 -24.409 6.992 -1.001 1.00 0.00 N ATOM 1713 CA PRO A 107 -25.618 7.377 -1.731 1.00 0.00 C ATOM 1714 C PRO A 107 -25.754 6.844 -3.155 1.00 0.00 C ATOM 1715 O PRO A 107 -26.854 6.882 -3.707 1.00 0.00 O ATOM 1716 CB PRO A 107 -25.592 8.901 -1.782 1.00 0.00 C ATOM 1717 CG PRO A 107 -24.139 9.283 -1.492 1.00 0.00 C ATOM 1718 CD PRO A 107 -23.673 8.172 -0.567 1.00 0.00 C ATOM 0 HA PRO A 107 -26.467 6.941 -1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -25.909 9.269 -2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -26.268 9.332 -1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -23.543 9.326 -2.404 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -24.066 10.261 -1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -22.597 8.018 -0.645 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -23.886 8.410 0.475 1.00 0.00 H new ATOM 1726 N LEU A 108 -24.656 6.425 -3.780 1.00 0.00 N ATOM 1727 CA LEU A 108 -24.623 5.924 -5.149 1.00 0.00 C ATOM 1728 C LEU A 108 -23.778 4.675 -5.272 1.00 0.00 C ATOM 1729 O LEU A 108 -24.019 3.885 -6.181 1.00 0.00 O ATOM 1730 CB LEU A 108 -24.059 6.958 -6.130 1.00 0.00 C ATOM 1731 CG LEU A 108 -22.806 7.736 -5.675 1.00 0.00 C ATOM 1732 CD1 LEU A 108 -21.782 7.876 -6.800 1.00 0.00 C ATOM 1733 CD2 LEU A 108 -23.218 9.130 -5.206 1.00 0.00 C ATOM 0 H LEU A 108 -23.739 6.425 -3.334 1.00 0.00 H new ATOM 0 HA LEU A 108 -25.661 5.703 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -23.822 6.447 -7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -24.845 7.680 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 108 -22.345 7.175 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -20.916 8.430 -6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -21.467 6.886 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -22.231 8.412 -7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -22.335 9.681 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -23.699 9.662 -6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -23.915 9.042 -4.372 1.00 0.00 H new ATOM 1745 N LYS A 109 -22.780 4.507 -4.404 1.00 0.00 N ATOM 1746 CA LYS A 109 -21.973 3.305 -4.407 1.00 0.00 C ATOM 1747 C LYS A 109 -22.518 2.241 -3.464 1.00 0.00 C ATOM 1748 O LYS A 109 -21.950 1.152 -3.434 1.00 0.00 O ATOM 1749 CB LYS A 109 -20.523 3.636 -4.049 1.00 0.00 C ATOM 1750 CG LYS A 109 -19.804 4.347 -5.196 1.00 0.00 C ATOM 1751 CD LYS A 109 -19.541 3.500 -6.456 1.00 0.00 C ATOM 1752 CE LYS A 109 -18.690 2.258 -6.157 1.00 0.00 C ATOM 1753 NZ LYS A 109 -18.622 1.318 -7.291 1.00 0.00 N ATOM 0 H LYS A 109 -22.518 5.191 -3.695 1.00 0.00 H new ATOM 0 HA LYS A 109 -22.011 2.895 -5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -20.503 4.267 -3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -19.991 2.718 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -20.393 5.218 -5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -18.848 4.718 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -20.493 3.190 -6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -19.036 4.112 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -17.680 2.572 -5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -19.102 1.743 -5.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.035 0.501 -7.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -19.580 0.993 -7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -18.203 1.796 -8.114 1.00 0.00 H new ATOM 1767 N GLY A 110 -23.560 2.548 -2.688 1.00 0.00 N ATOM 1768 CA GLY A 110 -24.101 1.673 -1.671 1.00 0.00 C ATOM 1769 C GLY A 110 -22.978 1.152 -0.801 1.00 0.00 C ATOM 1770 O GLY A 110 -22.238 1.914 -0.193 1.00 0.00 O ATOM 0 H GLY A 110 -24.056 3.436 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -24.827 2.212 -1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -24.630 0.841 -2.136 1.00 0.00 H new ATOM 1774 N ASP A 111 -22.839 -0.157 -0.765 1.00 0.00 N ATOM 1775 CA ASP A 111 -21.897 -0.906 0.042 1.00 0.00 C ATOM 1776 C ASP A 111 -20.800 -1.523 -0.845 1.00 0.00 C ATOM 1777 O ASP A 111 -20.115 -2.466 -0.431 1.00 0.00 O ATOM 1778 CB ASP A 111 -22.707 -1.962 0.806 1.00 0.00 C ATOM 1779 CG ASP A 111 -23.228 -3.061 -0.122 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -23.830 -2.745 -1.178 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -22.974 -4.246 0.183 1.00 0.00 O ATOM 0 H ASP A 111 -23.421 -0.768 -1.338 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.376 -0.265 0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -22.084 -2.407 1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -23.547 -1.482 1.308 1.00 0.00 H new ATOM 1786 N ALA A 112 -20.633 -1.035 -2.086 1.00 0.00 N ATOM 1787 CA ALA A 112 -19.664 -1.601 -3.011 1.00 0.00 C ATOM 1788 C ALA A 112 -18.260 -1.197 -2.585 1.00 0.00 C ATOM 1789 O ALA A 112 -17.335 -2.007 -2.639 1.00 0.00 O ATOM 1790 CB ALA A 112 -19.947 -1.104 -4.432 1.00 0.00 C ATOM 0 H ALA A 112 -21.162 -0.249 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.743 -2.688 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -19.217 -1.532 -5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -20.950 -1.409 -4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -19.876 -0.017 -4.458 1.00 0.00 H new ATOM 1796 N LEU A 113 -18.099 0.064 -2.168 1.00 0.00 N ATOM 1797 CA LEU A 113 -16.800 0.645 -1.860 1.00 0.00 C ATOM 1798 C LEU A 113 -16.090 -0.168 -0.783 1.00 0.00 C ATOM 1799 O LEU A 113 -14.943 -0.575 -0.963 1.00 0.00 O ATOM 1800 CB LEU A 113 -16.922 2.130 -1.492 1.00 0.00 C ATOM 1801 CG LEU A 113 -15.991 3.005 -2.345 1.00 0.00 C ATOM 1802 CD1 LEU A 113 -14.500 2.660 -2.238 1.00 0.00 C ATOM 1803 CD2 LEU A 113 -16.427 3.067 -3.805 1.00 0.00 C ATOM 0 H LEU A 113 -18.877 0.710 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 113 -16.182 0.602 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -17.953 2.455 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.682 2.264 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 113 -16.096 3.998 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -13.925 3.331 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -14.174 2.773 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -14.341 1.630 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -15.736 3.698 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -16.425 2.063 -4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -17.432 3.485 -3.867 1.00 0.00 H new ATOM 1815 N ASN A 114 -16.762 -0.455 0.332 1.00 0.00 N ATOM 1816 CA ASN A 114 -16.168 -1.264 1.390 1.00 0.00 C ATOM 1817 C ASN A 114 -15.925 -2.708 0.984 1.00 0.00 C ATOM 1818 O ASN A 114 -14.939 -3.288 1.428 1.00 0.00 O ATOM 1819 CB ASN A 114 -17.040 -1.275 2.647 1.00 0.00 C ATOM 1820 CG ASN A 114 -18.410 -1.923 2.456 1.00 0.00 C ATOM 1821 OD1 ASN A 114 -19.362 -1.232 2.110 1.00 0.00 O ATOM 1822 ND2 ASN A 114 -18.544 -3.223 2.670 1.00 0.00 N ATOM 0 H ASN A 114 -17.713 -0.140 0.523 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.207 -0.791 1.591 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -16.509 -1.803 3.439 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -17.181 -0.249 2.986 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -19.453 -3.669 2.547 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -17.738 -3.778 2.957 1.00 0.00 H new ATOM 1829 N LYS A 115 -16.768 -3.303 0.148 1.00 0.00 N ATOM 1830 CA LYS A 115 -16.489 -4.649 -0.343 1.00 0.00 C ATOM 1831 C LYS A 115 -15.228 -4.629 -1.218 1.00 0.00 C ATOM 1832 O LYS A 115 -14.381 -5.509 -1.080 1.00 0.00 O ATOM 1833 CB LYS A 115 -17.708 -5.199 -1.076 1.00 0.00 C ATOM 1834 CG LYS A 115 -17.572 -6.704 -1.392 1.00 0.00 C ATOM 1835 CD LYS A 115 -18.177 -7.041 -2.756 1.00 0.00 C ATOM 1836 CE LYS A 115 -17.290 -6.454 -3.862 1.00 0.00 C ATOM 1837 NZ LYS A 115 -18.046 -6.270 -5.112 1.00 0.00 N ATOM 0 H LYS A 115 -17.632 -2.887 -0.199 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.291 -5.321 0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.598 -5.037 -0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -17.851 -4.646 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -16.520 -6.987 -1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.069 -7.287 -0.617 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -18.258 -8.122 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -19.186 -6.636 -2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -16.884 -5.497 -3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -16.442 -7.116 -4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -17.420 -5.872 -5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -18.413 -7.188 -5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -18.840 -5.620 -4.945 1.00 0.00 H new ATOM 1851 N ALA A 116 -15.047 -3.600 -2.050 1.00 0.00 N ATOM 1852 CA ALA A 116 -13.828 -3.413 -2.825 1.00 0.00 C ATOM 1853 C ALA A 116 -12.606 -3.257 -1.915 1.00 0.00 C ATOM 1854 O ALA A 116 -11.547 -3.782 -2.260 1.00 0.00 O ATOM 1855 CB ALA A 116 -13.958 -2.204 -3.749 1.00 0.00 C ATOM 0 H ALA A 116 -15.747 -2.874 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.683 -4.306 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -13.037 -2.081 -4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.792 -2.358 -4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -14.138 -1.309 -3.154 1.00 0.00 H new ATOM 1861 N VAL A 117 -12.739 -2.593 -0.757 1.00 0.00 N ATOM 1862 CA VAL A 117 -11.729 -2.635 0.303 1.00 0.00 C ATOM 1863 C VAL A 117 -11.495 -4.105 0.689 1.00 0.00 C ATOM 1864 O VAL A 117 -10.362 -4.572 0.599 1.00 0.00 O ATOM 1865 CB VAL A 117 -12.082 -1.728 1.503 1.00 0.00 C ATOM 1866 CG1 VAL A 117 -11.069 -1.869 2.646 1.00 0.00 C ATOM 1867 CG2 VAL A 117 -12.116 -0.259 1.080 1.00 0.00 C ATOM 0 H VAL A 117 -13.548 -2.014 -0.533 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.793 -2.219 -0.069 1.00 0.00 H new ATOM 0 HB VAL A 117 -13.064 -2.047 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.355 -1.214 3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.054 -2.902 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.077 -1.591 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.366 0.362 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.138 0.032 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.867 -0.122 0.302 1.00 0.00 H new ATOM 1877 N ARG A 118 -12.534 -4.818 1.148 1.00 0.00 N ATOM 1878 CA ARG A 118 -12.413 -6.075 1.882 1.00 0.00 C ATOM 1879 C ARG A 118 -11.716 -7.152 1.061 1.00 0.00 C ATOM 1880 O ARG A 118 -10.819 -7.821 1.572 1.00 0.00 O ATOM 1881 CB ARG A 118 -13.796 -6.486 2.446 1.00 0.00 C ATOM 1882 CG ARG A 118 -14.697 -7.428 1.624 1.00 0.00 C ATOM 1883 CD ARG A 118 -14.559 -8.923 1.964 1.00 0.00 C ATOM 1884 NE ARG A 118 -15.770 -9.412 2.652 1.00 0.00 N ATOM 1885 CZ ARG A 118 -16.943 -9.625 2.041 1.00 0.00 C ATOM 1886 NH1 ARG A 118 -16.995 -9.760 0.719 1.00 0.00 N ATOM 1887 NH2 ARG A 118 -18.065 -9.646 2.745 1.00 0.00 N ATOM 0 H ARG A 118 -13.502 -4.525 1.013 1.00 0.00 H new ATOM 0 HA ARG A 118 -11.757 -5.933 2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -13.628 -6.957 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -14.360 -5.571 2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -15.736 -7.132 1.771 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -14.473 -7.289 0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -14.396 -9.496 1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -13.686 -9.079 2.598 1.00 0.00 H new ATOM 0 HE ARG A 118 -15.710 -9.599 3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -16.140 -9.701 0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -17.890 -9.922 0.258 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -18.037 -9.500 3.754 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -18.957 -9.808 2.278 1.00 0.00 H new ATOM 1901 N GLU A 119 -12.099 -7.311 -0.205 1.00 0.00 N ATOM 1902 CA GLU A 119 -11.553 -8.377 -1.030 1.00 0.00 C ATOM 1903 C GLU A 119 -10.145 -8.025 -1.488 1.00 0.00 C ATOM 1904 O GLU A 119 -9.242 -8.854 -1.422 1.00 0.00 O ATOM 1905 CB GLU A 119 -12.376 -8.597 -2.289 1.00 0.00 C ATOM 1906 CG GLU A 119 -13.854 -8.949 -2.095 1.00 0.00 C ATOM 1907 CD GLU A 119 -14.335 -9.857 -3.236 1.00 0.00 C ATOM 1908 OE1 GLU A 119 -13.757 -9.797 -4.351 1.00 0.00 O ATOM 1909 OE2 GLU A 119 -15.263 -10.667 -3.018 1.00 0.00 O ATOM 0 H GLU A 119 -12.781 -6.717 -0.676 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.562 -9.276 -0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -12.319 -7.693 -2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.909 -9.396 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -13.994 -9.451 -1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.452 -8.038 -2.068 1.00 0.00 H new ATOM 1916 N THR A 120 -9.947 -6.792 -1.970 1.00 0.00 N ATOM 1917 CA THR A 120 -8.643 -6.364 -2.460 1.00 0.00 C ATOM 1918 C THR A 120 -7.607 -6.474 -1.343 1.00 0.00 C ATOM 1919 O THR A 120 -6.430 -6.709 -1.627 1.00 0.00 O ATOM 1920 CB THR A 120 -8.735 -4.941 -3.026 1.00 0.00 C ATOM 1921 OG1 THR A 120 -9.809 -4.874 -3.951 1.00 0.00 O ATOM 1922 CG2 THR A 120 -7.447 -4.511 -3.729 1.00 0.00 C ATOM 0 H THR A 120 -10.674 -6.079 -2.029 1.00 0.00 H new ATOM 0 HA THR A 120 -8.322 -7.017 -3.272 1.00 0.00 H new ATOM 0 HB THR A 120 -8.899 -4.264 -2.187 1.00 0.00 H new ATOM 0 HG1 THR A 120 -10.538 -4.343 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.563 -3.497 -4.112 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.619 -4.539 -3.021 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.240 -5.190 -4.556 1.00 0.00 H new ATOM 1930 N ALA A 121 -8.053 -6.357 -0.086 1.00 0.00 N ATOM 1931 CA ALA A 121 -7.211 -6.531 1.065 1.00 0.00 C ATOM 1932 C ALA A 121 -6.576 -7.910 1.009 1.00 0.00 C ATOM 1933 O ALA A 121 -5.360 -7.950 1.126 1.00 0.00 O ATOM 1934 CB ALA A 121 -7.992 -6.264 2.353 1.00 0.00 C ATOM 0 H ALA A 121 -9.022 -6.136 0.144 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.402 -5.801 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.335 -6.402 3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -8.369 -5.241 2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.829 -6.959 2.422 1.00 0.00 H new ATOM 1940 N HIS A 122 -7.318 -9.015 0.829 1.00 0.00 N ATOM 1941 CA HIS A 122 -6.787 -10.394 0.835 1.00 0.00 C ATOM 1942 C HIS A 122 -5.535 -10.519 -0.036 1.00 0.00 C ATOM 1943 O HIS A 122 -4.518 -11.063 0.408 1.00 0.00 O ATOM 1944 CB HIS A 122 -7.824 -11.404 0.331 1.00 0.00 C ATOM 1945 CG HIS A 122 -8.123 -12.491 1.318 1.00 0.00 C ATOM 1946 ND1 HIS A 122 -7.255 -13.426 1.840 1.00 0.00 N ATOM 1947 CD2 HIS A 122 -9.357 -12.737 1.832 1.00 0.00 C ATOM 1948 CE1 HIS A 122 -7.964 -14.224 2.655 1.00 0.00 C ATOM 1949 NE2 HIS A 122 -9.249 -13.830 2.697 1.00 0.00 N ATOM 0 H HIS A 122 -8.325 -8.977 0.672 1.00 0.00 H new ATOM 0 HA HIS A 122 -6.537 -10.616 1.872 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.747 -10.877 0.091 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.464 -11.853 -0.595 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -10.260 -12.186 1.612 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -7.559 -15.064 3.200 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -9.997 -14.247 3.251 1.00 0.00 H new ATOM 1957 N GLU A 123 -5.609 -9.987 -1.254 1.00 0.00 N ATOM 1958 CA GLU A 123 -4.529 -10.047 -2.222 1.00 0.00 C ATOM 1959 C GLU A 123 -3.275 -9.295 -1.772 1.00 0.00 C ATOM 1960 O GLU A 123 -2.184 -9.621 -2.237 1.00 0.00 O ATOM 1961 CB GLU A 123 -5.025 -9.513 -3.571 1.00 0.00 C ATOM 1962 CG GLU A 123 -5.788 -10.567 -4.390 1.00 0.00 C ATOM 1963 CD GLU A 123 -5.048 -11.910 -4.480 1.00 0.00 C ATOM 1964 OE1 GLU A 123 -3.886 -11.944 -4.951 1.00 0.00 O ATOM 1965 OE2 GLU A 123 -5.589 -12.927 -3.985 1.00 0.00 O ATOM 0 H GLU A 123 -6.435 -9.496 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 123 -4.235 -11.092 -2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -5.674 -8.654 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -4.173 -9.157 -4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -6.768 -10.728 -3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -5.958 -10.184 -5.396 1.00 0.00 H new ATOM 1972 N THR A 124 -3.398 -8.338 -0.856 1.00 0.00 N ATOM 1973 CA THR A 124 -2.268 -7.646 -0.278 1.00 0.00 C ATOM 1974 C THR A 124 -1.429 -8.600 0.560 1.00 0.00 C ATOM 1975 O THR A 124 -0.239 -8.703 0.298 1.00 0.00 O ATOM 1976 CB THR A 124 -2.748 -6.466 0.570 1.00 0.00 C ATOM 1977 OG1 THR A 124 -3.677 -5.689 -0.144 1.00 0.00 O ATOM 1978 CG2 THR A 124 -1.576 -5.577 0.973 1.00 0.00 C ATOM 0 H THR A 124 -4.299 -8.024 -0.495 1.00 0.00 H new ATOM 0 HA THR A 124 -1.645 -7.263 -1.086 1.00 0.00 H new ATOM 0 HB THR A 124 -3.220 -6.874 1.464 1.00 0.00 H new ATOM 0 HG1 THR A 124 -4.567 -6.092 -0.068 1.00 0.00 H new ATOM 0 HG21 THR A 124 -1.941 -4.745 1.575 1.00 0.00 H new ATOM 0 HG22 THR A 124 -0.861 -6.159 1.554 1.00 0.00 H new ATOM 0 HG23 THR A 124 -1.088 -5.191 0.078 1.00 0.00 H new ATOM 1986 N ILE A 125 -1.999 -9.286 1.560 1.00 0.00 N ATOM 1987 CA ILE A 125 -1.247 -10.202 2.427 1.00 0.00 C ATOM 1988 C ILE A 125 -0.608 -11.297 1.587 1.00 0.00 C ATOM 1989 O ILE A 125 0.582 -11.581 1.748 1.00 0.00 O ATOM 1990 CB ILE A 125 -2.142 -10.747 3.563 1.00 0.00 C ATOM 1991 CG1 ILE A 125 -2.522 -9.581 4.511 1.00 0.00 C ATOM 1992 CG2 ILE A 125 -1.496 -11.859 4.396 1.00 0.00 C ATOM 1993 CD1 ILE A 125 -1.397 -8.943 5.316 1.00 0.00 C ATOM 0 H ILE A 125 -2.991 -9.222 1.790 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.438 -9.661 2.918 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.014 -11.185 3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -2.995 -8.801 3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.273 -9.946 5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.191 -12.184 5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.252 -12.702 3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.585 -11.483 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.802 -8.143 5.936 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -0.933 -9.696 5.953 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -0.650 -8.533 4.636 1.00 0.00 H new ATOM 2005 N SER A 126 -1.363 -11.774 0.597 1.00 0.00 N ATOM 2006 CA SER A 126 -0.879 -12.625 -0.484 1.00 0.00 C ATOM 2007 C SER A 126 0.497 -12.187 -1.026 1.00 0.00 C ATOM 2008 O SER A 126 1.326 -13.044 -1.334 1.00 0.00 O ATOM 2009 CB SER A 126 -1.937 -12.649 -1.596 1.00 0.00 C ATOM 2010 OG SER A 126 -2.290 -13.956 -1.988 1.00 0.00 O ATOM 0 H SER A 126 -2.360 -11.571 0.526 1.00 0.00 H new ATOM 0 HA SER A 126 -0.727 -13.630 -0.089 1.00 0.00 H new ATOM 0 HB2 SER A 126 -2.829 -12.124 -1.254 1.00 0.00 H new ATOM 0 HB3 SER A 126 -1.560 -12.105 -2.462 1.00 0.00 H new ATOM 0 HG SER A 126 -2.967 -13.914 -2.696 1.00 0.00 H new ATOM 2016 N ALA A 127 0.747 -10.880 -1.157 1.00 0.00 N ATOM 2017 CA ALA A 127 2.009 -10.323 -1.617 1.00 0.00 C ATOM 2018 C ALA A 127 2.955 -9.943 -0.466 1.00 0.00 C ATOM 2019 O ALA A 127 4.154 -10.153 -0.608 1.00 0.00 O ATOM 2020 CB ALA A 127 1.733 -9.101 -2.487 1.00 0.00 C ATOM 0 H ALA A 127 0.053 -10.166 -0.938 1.00 0.00 H new ATOM 0 HA ALA A 127 2.514 -11.098 -2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.677 -8.681 -2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.129 -9.395 -3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.195 -8.353 -1.904 1.00 0.00 H new ATOM 2026 N ILE A 128 2.463 -9.407 0.660 1.00 0.00 N ATOM 2027 CA ILE A 128 3.257 -9.003 1.829 1.00 0.00 C ATOM 2028 C ILE A 128 4.249 -10.111 2.209 1.00 0.00 C ATOM 2029 O ILE A 128 5.440 -9.838 2.376 1.00 0.00 O ATOM 2030 CB ILE A 128 2.337 -8.544 2.990 1.00 0.00 C ATOM 2031 CG1 ILE A 128 1.700 -7.171 2.648 1.00 0.00 C ATOM 2032 CG2 ILE A 128 3.136 -8.445 4.292 1.00 0.00 C ATOM 2033 CD1 ILE A 128 0.813 -6.514 3.726 1.00 0.00 C ATOM 0 H ILE A 128 1.465 -9.237 0.786 1.00 0.00 H new ATOM 0 HA ILE A 128 3.863 -8.132 1.579 1.00 0.00 H new ATOM 0 HB ILE A 128 1.544 -9.280 3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.505 -6.477 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 128 1.100 -7.293 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 128 2.478 -8.122 5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.557 -9.420 4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.943 -7.722 4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.434 -5.562 3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -0.024 -7.172 3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.402 -6.344 4.627 1.00 0.00 H new ATOM 2045 N PHE A 129 3.767 -11.348 2.339 1.00 0.00 N ATOM 2046 CA PHE A 129 4.581 -12.487 2.765 1.00 0.00 C ATOM 2047 C PHE A 129 5.146 -13.288 1.586 1.00 0.00 C ATOM 2048 O PHE A 129 5.707 -14.364 1.795 1.00 0.00 O ATOM 2049 CB PHE A 129 3.771 -13.343 3.745 1.00 0.00 C ATOM 2050 CG PHE A 129 3.495 -12.618 5.047 1.00 0.00 C ATOM 2051 CD1 PHE A 129 4.466 -12.615 6.066 1.00 0.00 C ATOM 2052 CD2 PHE A 129 2.292 -11.914 5.229 1.00 0.00 C ATOM 2053 CE1 PHE A 129 4.226 -11.925 7.267 1.00 0.00 C ATOM 2054 CE2 PHE A 129 2.050 -11.230 6.433 1.00 0.00 C ATOM 2055 CZ PHE A 129 3.017 -11.235 7.453 1.00 0.00 C ATOM 0 H PHE A 129 2.794 -11.589 2.150 1.00 0.00 H new ATOM 0 HA PHE A 129 5.464 -12.114 3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.826 -13.626 3.282 1.00 0.00 H new ATOM 0 HB3 PHE A 129 4.313 -14.265 3.953 1.00 0.00 H new ATOM 0 HD1 PHE A 129 5.397 -13.144 5.925 1.00 0.00 H new ATOM 0 HD2 PHE A 129 1.552 -11.899 4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 129 4.972 -11.926 8.048 1.00 0.00 H new ATOM 0 HE2 PHE A 129 1.120 -10.700 6.574 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.831 -10.709 8.378 1.00 0.00 H new ATOM 2065 N SER A 130 5.009 -12.783 0.354 1.00 0.00 N ATOM 2066 CA SER A 130 5.598 -13.374 -0.837 1.00 0.00 C ATOM 2067 C SER A 130 7.113 -13.484 -0.636 1.00 0.00 C ATOM 2068 O SER A 130 7.760 -12.568 -0.112 1.00 0.00 O ATOM 2069 CB SER A 130 5.215 -12.517 -2.055 1.00 0.00 C ATOM 2070 OG SER A 130 5.331 -13.173 -3.304 1.00 0.00 O ATOM 0 H SER A 130 4.474 -11.936 0.162 1.00 0.00 H new ATOM 0 HA SER A 130 5.220 -14.381 -1.015 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.186 -12.177 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.845 -11.628 -2.068 1.00 0.00 H new ATOM 0 HG SER A 130 5.068 -12.560 -4.021 1.00 0.00 H new