USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 890 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 127 SER OG : rot 74:sc=-0.000638 USER MOD Set 1.2: A 128 ASN :FLIP amide:sc= -7.35! C(o=-14!,f=-7.4!) USER MOD Set 2.1: A 35 HIS : no HD1:sc= -3.02 K(o=-4.3,f=-9.2!) USER MOD Set 2.2: A 55 GLN :FLIP amide:sc= -1.32 F(o=-7.5!,f=-4.3) USER MOD Set 2.3: A 124 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 117 TYR OH : rot 121:sc= 0.43 USER MOD Set 3.2: A 119 CYS SG : rot 171:sc= -3.1! USER MOD Set 4.1: A 40 ASN : amide:sc= 0.0396 X(o=0.19,f=-0.063) USER MOD Set 4.2: A 51 THR OG1 : rot -79:sc= 0.147 USER MOD Single : A 12 SER OG : rot -19:sc= 0.304 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.879 F(o=-1.9!,f=-0.88) USER MOD Single : A 32 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.66) USER MOD Single : A 37 CYS SG : rot -107:sc= -0.881 USER MOD Single : A 41 CYS SG : rot 180:sc=-0.00709 USER MOD Single : A 44 LYS NZ :NH3+ -120:sc= -3.75! (180deg=-5.81!) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -0.047 (180deg=-0.346) USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= -0.0041 (180deg=-0.0853) USER MOD Single : A 56 ASN :FLIP amide:sc= 0.607 F(o=-0.025,f=0.61) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 142:sc= -2.64 (180deg=-6.58!) USER MOD Single : A 68 THR OG1 : rot 130:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 49:sc= 1.19 USER MOD Single : A 75 TYR OH : rot 180:sc=-0.00473 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -98:sc= -2.67 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 41:sc= 0.339 USER MOD Single : A 111 MET CE :methyl 146:sc= -1.15 (180deg=-4.51!) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.0498 USER MOD Single : A 120 ASN :FLIP amide:sc= -1.83 F(o=-3.2!,f=-1.8) USER MOD Single : A 122 GLN : amide:sc=-0.00611 X(o=-0.0061,f=-0.11) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 169:sc= -0.0109 (180deg=-0.145) USER MOD Single : A 132 ASN : amide:sc= -5.35! C(o=-5.4!,f=-7.5!) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 -0.233 12.362 -12.477 1.00 0.00 N ATOM 118 CA SER A 12 -0.525 11.283 -11.541 1.00 0.00 C ATOM 119 C SER A 12 0.470 11.284 -10.384 1.00 0.00 C ATOM 120 O SER A 12 1.333 12.157 -10.292 1.00 0.00 O ATOM 121 CB SER A 12 -0.488 9.933 -12.258 1.00 0.00 C ATOM 122 OG SER A 12 0.600 9.865 -13.164 1.00 0.00 O ATOM 0 HA SER A 12 -1.525 11.445 -11.139 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.405 9.131 -11.525 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.423 9.778 -12.796 1.00 0.00 H new ATOM 0 HG SER A 12 0.914 10.771 -13.367 1.00 0.00 H new ATOM 128 N PHE A 13 0.342 10.299 -9.501 1.00 0.00 N ATOM 129 CA PHE A 13 1.228 10.185 -8.348 1.00 0.00 C ATOM 130 C PHE A 13 1.842 8.790 -8.270 1.00 0.00 C ATOM 131 O PHE A 13 1.419 7.873 -8.973 1.00 0.00 O ATOM 132 CB PHE A 13 0.464 10.492 -7.059 1.00 0.00 C ATOM 133 CG PHE A 13 -0.009 11.914 -6.966 1.00 0.00 C ATOM 134 CD1 PHE A 13 -0.914 12.419 -7.886 1.00 0.00 C ATOM 135 CD2 PHE A 13 0.451 12.747 -5.958 1.00 0.00 C ATOM 136 CE1 PHE A 13 -1.350 13.728 -7.803 1.00 0.00 C ATOM 137 CE2 PHE A 13 0.019 14.057 -5.870 1.00 0.00 C ATOM 138 CZ PHE A 13 -0.884 14.547 -6.793 1.00 0.00 C ATOM 0 H PHE A 13 -0.367 9.568 -9.562 1.00 0.00 H new ATOM 0 HA PHE A 13 2.033 10.911 -8.466 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.396 9.826 -6.989 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.106 10.275 -6.205 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.283 11.783 -8.677 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.156 12.368 -5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.054 14.110 -8.527 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.387 14.696 -5.081 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.225 15.569 -6.725 1.00 0.00 H new ATOM 148 N VAL A 14 2.843 8.639 -7.409 1.00 0.00 N ATOM 149 CA VAL A 14 3.516 7.357 -7.237 1.00 0.00 C ATOM 150 C VAL A 14 3.825 7.091 -5.768 1.00 0.00 C ATOM 151 O VAL A 14 3.609 7.950 -4.911 1.00 0.00 O ATOM 152 CB VAL A 14 4.827 7.298 -8.044 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.535 7.313 -9.537 1.00 0.00 C ATOM 154 CG2 VAL A 14 5.741 8.451 -7.659 1.00 0.00 C ATOM 0 H VAL A 14 3.206 9.388 -6.820 1.00 0.00 H new ATOM 0 HA VAL A 14 2.835 6.591 -7.607 1.00 0.00 H new ATOM 0 HB VAL A 14 5.338 6.365 -7.807 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.472 7.271 -10.092 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.921 6.451 -9.796 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.002 8.228 -9.794 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.662 8.394 -8.238 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.240 9.397 -7.866 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.976 8.390 -6.596 1.00 0.00 H new ATOM 164 N LEU A 15 4.331 5.896 -5.482 1.00 0.00 N ATOM 165 CA LEU A 15 4.671 5.516 -4.115 1.00 0.00 C ATOM 166 C LEU A 15 6.138 5.810 -3.817 1.00 0.00 C ATOM 167 O LEU A 15 7.019 5.499 -4.619 1.00 0.00 O ATOM 168 CB LEU A 15 4.380 4.031 -3.891 1.00 0.00 C ATOM 169 CG LEU A 15 2.973 3.560 -4.260 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.000 2.109 -4.718 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.026 3.732 -3.082 1.00 0.00 C ATOM 0 H LEU A 15 4.515 5.174 -6.178 1.00 0.00 H new ATOM 0 HA LEU A 15 4.057 6.107 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.099 3.449 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.554 3.802 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 15 2.609 4.174 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.990 1.790 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.645 2.015 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.384 1.481 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.030 3.392 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.385 3.144 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.984 4.784 -2.800 1.00 0.00 H new ATOM 183 N ASP A 16 6.392 6.408 -2.659 1.00 0.00 N ATOM 184 CA ASP A 16 7.753 6.741 -2.253 1.00 0.00 C ATOM 185 C ASP A 16 8.431 5.543 -1.594 1.00 0.00 C ATOM 186 O ASP A 16 9.275 5.703 -0.712 1.00 0.00 O ATOM 187 CB ASP A 16 7.744 7.930 -1.291 1.00 0.00 C ATOM 188 CG ASP A 16 9.110 8.574 -1.154 1.00 0.00 C ATOM 189 OD1 ASP A 16 9.457 9.416 -2.008 1.00 0.00 O ATOM 190 OD2 ASP A 16 9.833 8.234 -0.194 1.00 0.00 O ATOM 0 H ASP A 16 5.674 6.672 -1.985 1.00 0.00 H new ATOM 0 HA ASP A 16 8.317 7.010 -3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.029 8.673 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.402 7.598 -0.311 1.00 0.00 H new ATOM 195 N PHE A 17 8.056 4.345 -2.028 1.00 0.00 N ATOM 196 CA PHE A 17 8.626 3.120 -1.479 1.00 0.00 C ATOM 197 C PHE A 17 8.717 2.036 -2.549 1.00 0.00 C ATOM 198 O PHE A 17 7.773 1.816 -3.308 1.00 0.00 O ATOM 199 CB PHE A 17 7.784 2.622 -0.303 1.00 0.00 C ATOM 200 CG PHE A 17 6.362 2.312 -0.672 1.00 0.00 C ATOM 201 CD1 PHE A 17 6.057 1.193 -1.431 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.329 3.141 -0.263 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.749 0.905 -1.772 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.020 2.857 -0.601 1.00 0.00 C ATOM 205 CZ PHE A 17 3.729 1.739 -1.358 1.00 0.00 C ATOM 0 H PHE A 17 7.360 4.196 -2.758 1.00 0.00 H new ATOM 0 HA PHE A 17 9.633 3.344 -1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.247 1.726 0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.790 3.377 0.483 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.851 0.539 -1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.550 4.019 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.525 0.028 -2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.224 3.509 -0.273 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.706 1.518 -1.626 1.00 0.00 H new ATOM 215 N SER A 18 9.861 1.360 -2.603 1.00 0.00 N ATOM 216 CA SER A 18 10.078 0.302 -3.581 1.00 0.00 C ATOM 217 C SER A 18 9.133 -0.870 -3.334 1.00 0.00 C ATOM 218 O SER A 18 9.009 -1.353 -2.209 1.00 0.00 O ATOM 219 CB SER A 18 11.530 -0.180 -3.530 1.00 0.00 C ATOM 220 OG SER A 18 12.423 0.850 -3.916 1.00 0.00 O ATOM 0 H SER A 18 10.651 1.527 -1.980 1.00 0.00 H new ATOM 0 HA SER A 18 9.872 0.710 -4.571 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.770 -0.515 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.655 -1.039 -4.189 1.00 0.00 H new ATOM 0 HG SER A 18 13.344 0.518 -3.873 1.00 0.00 H new ATOM 226 N GLN A 19 8.468 -1.320 -4.393 1.00 0.00 N ATOM 227 CA GLN A 19 7.533 -2.434 -4.291 1.00 0.00 C ATOM 228 C GLN A 19 8.015 -3.457 -3.267 1.00 0.00 C ATOM 229 O GLN A 19 9.188 -3.827 -3.228 1.00 0.00 O ATOM 230 CB GLN A 19 7.355 -3.104 -5.654 1.00 0.00 C ATOM 231 CG GLN A 19 6.939 -2.143 -6.756 1.00 0.00 C ATOM 232 CD GLN A 19 5.824 -1.209 -6.325 1.00 0.00 C ATOM 233 OE1 GLN A 19 5.974 0.012 -6.360 1.00 0.00 O ATOM 234 NE2 GLN A 19 4.698 -1.781 -5.915 1.00 0.00 N ATOM 0 H GLN A 19 8.559 -0.930 -5.331 1.00 0.00 H new ATOM 0 HA GLN A 19 6.572 -2.040 -3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.291 -3.585 -5.938 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.605 -3.891 -5.568 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.803 -1.554 -7.064 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.614 -2.713 -7.627 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.618 -2.798 -5.902 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.913 -1.204 -5.613 1.00 0.00 H new ATOM 243 N PRO A 20 7.089 -3.925 -2.418 1.00 0.00 N ATOM 244 CA PRO A 20 7.395 -4.912 -1.378 1.00 0.00 C ATOM 245 C PRO A 20 7.702 -6.289 -1.958 1.00 0.00 C ATOM 246 O PRO A 20 8.657 -6.947 -1.547 1.00 0.00 O ATOM 247 CB PRO A 20 6.114 -4.957 -0.542 1.00 0.00 C ATOM 248 CG PRO A 20 5.037 -4.526 -1.477 1.00 0.00 C ATOM 249 CD PRO A 20 5.671 -3.528 -2.407 1.00 0.00 C ATOM 0 HA PRO A 20 8.283 -4.640 -0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.927 -5.960 -0.158 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.180 -4.293 0.320 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.637 -5.376 -2.030 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.204 -4.079 -0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.233 -3.573 -3.404 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.542 -2.507 -2.049 1.00 0.00 H new ATOM 257 N SER A 21 6.885 -6.718 -2.915 1.00 0.00 N ATOM 258 CA SER A 21 7.067 -8.019 -3.549 1.00 0.00 C ATOM 259 C SER A 21 8.515 -8.209 -3.991 1.00 0.00 C ATOM 260 O SER A 21 9.064 -9.307 -3.902 1.00 0.00 O ATOM 261 CB SER A 21 6.132 -8.159 -4.751 1.00 0.00 C ATOM 262 OG SER A 21 6.522 -9.243 -5.577 1.00 0.00 O ATOM 0 H SER A 21 6.091 -6.184 -3.268 1.00 0.00 H new ATOM 0 HA SER A 21 6.824 -8.790 -2.818 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.110 -8.311 -4.405 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.138 -7.236 -5.330 1.00 0.00 H new ATOM 0 HG SER A 21 5.908 -9.312 -6.337 1.00 0.00 H new ATOM 268 N ALA A 22 9.127 -7.131 -4.470 1.00 0.00 N ATOM 269 CA ALA A 22 10.511 -7.177 -4.925 1.00 0.00 C ATOM 270 C ALA A 22 11.352 -8.087 -4.035 1.00 0.00 C ATOM 271 O ALA A 22 12.135 -8.900 -4.526 1.00 0.00 O ATOM 272 CB ALA A 22 11.103 -5.776 -4.960 1.00 0.00 C ATOM 0 H ALA A 22 8.686 -6.215 -4.553 1.00 0.00 H new ATOM 0 HA ALA A 22 10.522 -7.589 -5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.137 -5.826 -5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.525 -5.154 -5.643 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.072 -5.343 -3.960 1.00 0.00 H new ATOM 278 N ASP A 23 11.185 -7.943 -2.725 1.00 0.00 N ATOM 279 CA ASP A 23 11.928 -8.752 -1.766 1.00 0.00 C ATOM 280 C ASP A 23 11.065 -9.890 -1.231 1.00 0.00 C ATOM 281 O ASP A 23 10.278 -9.702 -0.302 1.00 0.00 O ATOM 282 CB ASP A 23 12.423 -7.883 -0.609 1.00 0.00 C ATOM 283 CG ASP A 23 13.345 -6.772 -1.073 1.00 0.00 C ATOM 284 OD1 ASP A 23 12.833 -5.730 -1.533 1.00 0.00 O ATOM 285 OD2 ASP A 23 14.578 -6.945 -0.977 1.00 0.00 O ATOM 0 H ASP A 23 10.542 -7.274 -2.303 1.00 0.00 H new ATOM 0 HA ASP A 23 12.787 -9.183 -2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.567 -7.449 -0.092 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.947 -8.509 0.113 1.00 0.00 H new ATOM 290 N TYR A 24 11.216 -11.069 -1.823 1.00 0.00 N ATOM 291 CA TYR A 24 10.448 -12.237 -1.407 1.00 0.00 C ATOM 292 C TYR A 24 10.724 -12.580 0.053 1.00 0.00 C ATOM 293 O TYR A 24 9.819 -12.962 0.796 1.00 0.00 O ATOM 294 CB TYR A 24 10.782 -13.436 -2.296 1.00 0.00 C ATOM 295 CG TYR A 24 9.975 -14.673 -1.973 1.00 0.00 C ATOM 296 CD1 TYR A 24 8.634 -14.763 -2.323 1.00 0.00 C ATOM 297 CD2 TYR A 24 10.554 -15.752 -1.316 1.00 0.00 C ATOM 298 CE1 TYR A 24 7.892 -15.891 -2.029 1.00 0.00 C ATOM 299 CE2 TYR A 24 9.821 -16.885 -1.019 1.00 0.00 C ATOM 300 CZ TYR A 24 8.491 -16.949 -1.378 1.00 0.00 C ATOM 301 OH TYR A 24 7.756 -18.075 -1.083 1.00 0.00 O ATOM 0 H TYR A 24 11.863 -11.242 -2.592 1.00 0.00 H new ATOM 0 HA TYR A 24 9.389 -11.999 -1.511 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.612 -13.164 -3.338 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.842 -13.668 -2.196 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.163 -13.937 -2.834 1.00 0.00 H new ATOM 0 HD2 TYR A 24 11.595 -15.704 -1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.850 -15.944 -2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.287 -17.715 -0.509 1.00 0.00 H new ATOM 0 HH TYR A 24 8.326 -18.727 -0.625 1.00 0.00 H new ATOM 311 N LEU A 25 11.981 -12.439 0.459 1.00 0.00 N ATOM 312 CA LEU A 25 12.379 -12.733 1.832 1.00 0.00 C ATOM 313 C LEU A 25 11.849 -11.673 2.791 1.00 0.00 C ATOM 314 O LEU A 25 11.057 -11.971 3.685 1.00 0.00 O ATOM 315 CB LEU A 25 13.903 -12.814 1.935 1.00 0.00 C ATOM 316 CG LEU A 25 14.520 -14.194 1.703 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.982 -15.195 2.714 1.00 0.00 C ATOM 318 CD2 LEU A 25 14.247 -14.668 0.284 1.00 0.00 C ATOM 0 H LEU A 25 12.742 -12.123 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 25 11.950 -13.696 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.333 -12.120 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.199 -12.468 2.925 1.00 0.00 H new ATOM 0 HG LEU A 25 15.599 -14.116 1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.432 -16.171 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.229 -14.862 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.899 -15.270 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.693 -15.651 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.171 -14.730 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.681 -13.963 -0.425 1.00 0.00 H new ATOM 330 N ASP A 26 12.288 -10.434 2.598 1.00 0.00 N ATOM 331 CA ASP A 26 11.855 -9.328 3.444 1.00 0.00 C ATOM 332 C ASP A 26 10.333 -9.230 3.473 1.00 0.00 C ATOM 333 O ASP A 26 9.752 -8.707 4.424 1.00 0.00 O ATOM 334 CB ASP A 26 12.454 -8.012 2.946 1.00 0.00 C ATOM 335 CG ASP A 26 11.973 -6.818 3.746 1.00 0.00 C ATOM 336 OD1 ASP A 26 10.809 -6.407 3.557 1.00 0.00 O ATOM 337 OD2 ASP A 26 12.760 -6.293 4.561 1.00 0.00 O ATOM 0 H ASP A 26 12.944 -10.170 1.863 1.00 0.00 H new ATOM 0 HA ASP A 26 12.208 -9.518 4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.541 -8.068 3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.194 -7.872 1.897 1.00 0.00 H new ATOM 342 N PHE A 27 9.692 -9.736 2.425 1.00 0.00 N ATOM 343 CA PHE A 27 8.238 -9.704 2.329 1.00 0.00 C ATOM 344 C PHE A 27 7.616 -10.866 3.098 1.00 0.00 C ATOM 345 O PHE A 27 6.858 -10.661 4.047 1.00 0.00 O ATOM 346 CB PHE A 27 7.801 -9.756 0.863 1.00 0.00 C ATOM 347 CG PHE A 27 6.329 -9.998 0.685 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.808 -11.278 0.780 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.467 -8.946 0.422 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.454 -11.505 0.617 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.113 -9.166 0.258 1.00 0.00 C ATOM 352 CZ PHE A 27 3.605 -10.447 0.354 1.00 0.00 C ATOM 0 H PHE A 27 10.157 -10.173 1.630 1.00 0.00 H new ATOM 0 HA PHE A 27 7.890 -8.771 2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.068 -8.817 0.379 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.355 -10.545 0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.467 -12.109 0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.858 -7.942 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.060 -12.508 0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.452 -8.337 0.055 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.547 -10.621 0.224 1.00 0.00 H new ATOM 362 N ARG A 28 7.941 -12.085 2.682 1.00 0.00 N ATOM 363 CA ARG A 28 7.414 -13.280 3.330 1.00 0.00 C ATOM 364 C ARG A 28 7.531 -13.171 4.848 1.00 0.00 C ATOM 365 O ARG A 28 6.657 -13.629 5.582 1.00 0.00 O ATOM 366 CB ARG A 28 8.157 -14.523 2.838 1.00 0.00 C ATOM 367 CG ARG A 28 9.465 -14.781 3.570 1.00 0.00 C ATOM 368 CD ARG A 28 9.967 -16.196 3.331 1.00 0.00 C ATOM 369 NE ARG A 28 11.120 -16.516 4.168 1.00 0.00 N ATOM 370 CZ ARG A 28 11.506 -17.757 4.444 1.00 0.00 C ATOM 371 NH1 ARG A 28 10.835 -18.788 3.951 1.00 0.00 N ATOM 372 NH2 ARG A 28 12.566 -17.967 5.214 1.00 0.00 N ATOM 0 H ARG A 28 8.567 -12.272 1.899 1.00 0.00 H new ATOM 0 HA ARG A 28 6.359 -13.369 3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.509 -15.392 2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.362 -14.416 1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.217 -14.066 3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.323 -14.620 4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.164 -16.905 3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.237 -16.312 2.281 1.00 0.00 H new ATOM 0 HE ARG A 28 11.658 -15.745 4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.020 -18.630 3.358 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.133 -19.740 4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.085 -17.176 5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.862 -18.920 5.426 1.00 0.00 H new ATOM 386 N ASN A 29 8.619 -12.563 5.310 1.00 0.00 N ATOM 387 CA ASN A 29 8.851 -12.395 6.741 1.00 0.00 C ATOM 388 C ASN A 29 7.695 -11.645 7.395 1.00 0.00 C ATOM 389 O ASN A 29 7.303 -11.949 8.522 1.00 0.00 O ATOM 390 CB ASN A 29 10.162 -11.645 6.981 1.00 0.00 C ATOM 391 CG ASN A 29 11.379 -12.529 6.786 1.00 0.00 C ATOM 392 OD1 ASN A 29 12.259 -12.132 5.875 1.00 0.00 O flip ATOM 393 ND2 ASN A 29 11.525 -13.558 7.447 1.00 0.00 N flip ATOM 0 H ASN A 29 9.353 -12.179 4.715 1.00 0.00 H new ATOM 0 HA ASN A 29 8.919 -13.385 7.192 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.221 -10.795 6.301 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.167 -11.243 7.994 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.823 -13.825 8.137 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.348 -14.143 7.304 1.00 0.00 H new ATOM 400 N ARG A 30 7.153 -10.664 6.680 1.00 0.00 N ATOM 401 CA ARG A 30 6.043 -9.870 7.192 1.00 0.00 C ATOM 402 C ARG A 30 4.744 -10.671 7.167 1.00 0.00 C ATOM 403 O ARG A 30 3.885 -10.508 8.035 1.00 0.00 O ATOM 404 CB ARG A 30 5.881 -8.591 6.368 1.00 0.00 C ATOM 405 CG ARG A 30 7.199 -7.921 6.017 1.00 0.00 C ATOM 406 CD ARG A 30 7.860 -7.314 7.244 1.00 0.00 C ATOM 407 NE ARG A 30 8.701 -8.280 7.947 1.00 0.00 N ATOM 408 CZ ARG A 30 9.435 -7.977 9.012 1.00 0.00 C ATOM 409 NH1 ARG A 30 9.431 -6.742 9.494 1.00 0.00 N ATOM 410 NH2 ARG A 30 10.175 -8.910 9.597 1.00 0.00 N ATOM 0 H ARG A 30 7.465 -10.401 5.745 1.00 0.00 H new ATOM 0 HA ARG A 30 6.266 -9.604 8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.347 -8.827 5.448 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.262 -7.887 6.924 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.870 -8.651 5.565 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.026 -7.143 5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.464 -6.458 6.944 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.092 -6.941 7.922 1.00 0.00 H new ATOM 0 HE ARG A 30 8.726 -9.239 7.601 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.863 -6.022 9.047 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.995 -6.512 10.312 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.181 -9.861 9.229 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.738 -8.676 10.415 1.00 0.00 H new ATOM 424 N LEU A 31 4.608 -11.537 6.169 1.00 0.00 N ATOM 425 CA LEU A 31 3.415 -12.364 6.031 1.00 0.00 C ATOM 426 C LEU A 31 3.464 -13.554 6.984 1.00 0.00 C ATOM 427 O LEU A 31 2.479 -14.276 7.141 1.00 0.00 O ATOM 428 CB LEU A 31 3.275 -12.856 4.590 1.00 0.00 C ATOM 429 CG LEU A 31 1.981 -13.599 4.256 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.845 -12.615 4.023 1.00 0.00 C ATOM 431 CD2 LEU A 31 2.176 -14.490 3.038 1.00 0.00 C ATOM 0 H LEU A 31 5.309 -11.685 5.443 1.00 0.00 H new ATOM 0 HA LEU A 31 2.549 -11.753 6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.359 -11.997 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.115 -13.514 4.369 1.00 0.00 H new ATOM 0 HG LEU A 31 1.718 -14.231 5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.068 -13.162 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.689 -12.020 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.099 -11.956 3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.245 -15.011 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.464 -13.879 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.960 -15.219 3.243 1.00 0.00 H new ATOM 443 N GLN A 32 4.614 -13.750 7.620 1.00 0.00 N ATOM 444 CA GLN A 32 4.790 -14.851 8.559 1.00 0.00 C ATOM 445 C GLN A 32 4.796 -14.344 9.998 1.00 0.00 C ATOM 446 O GLN A 32 4.308 -15.017 10.905 1.00 0.00 O ATOM 447 CB GLN A 32 6.092 -15.598 8.264 1.00 0.00 C ATOM 448 CG GLN A 32 6.471 -16.607 9.336 1.00 0.00 C ATOM 449 CD GLN A 32 5.346 -17.573 9.652 1.00 0.00 C ATOM 450 OE1 GLN A 32 4.889 -17.661 10.792 1.00 0.00 O ATOM 451 NE2 GLN A 32 4.893 -18.306 8.641 1.00 0.00 N ATOM 0 H GLN A 32 5.438 -13.161 7.502 1.00 0.00 H new ATOM 0 HA GLN A 32 3.951 -15.536 8.438 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.997 -16.114 7.309 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.900 -14.874 8.156 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.346 -17.169 9.008 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.755 -16.076 10.245 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.301 -18.201 7.712 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.137 -18.974 8.794 1.00 0.00 H new ATOM 460 N ALA A 33 5.352 -13.154 10.198 1.00 0.00 N ATOM 461 CA ALA A 33 5.420 -12.556 11.526 1.00 0.00 C ATOM 462 C ALA A 33 4.228 -11.639 11.777 1.00 0.00 C ATOM 463 O ALA A 33 3.809 -11.447 12.918 1.00 0.00 O ATOM 464 CB ALA A 33 6.723 -11.789 11.693 1.00 0.00 C ATOM 0 H ALA A 33 5.762 -12.585 9.458 1.00 0.00 H new ATOM 0 HA ALA A 33 5.387 -13.360 12.262 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.760 -11.348 12.689 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.565 -12.470 11.566 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.779 -10.999 10.944 1.00 0.00 H new ATOM 470 N ASP A 34 3.686 -11.074 10.703 1.00 0.00 N ATOM 471 CA ASP A 34 2.541 -10.176 10.807 1.00 0.00 C ATOM 472 C ASP A 34 1.294 -10.814 10.203 1.00 0.00 C ATOM 473 O ASP A 34 0.184 -10.308 10.368 1.00 0.00 O ATOM 474 CB ASP A 34 2.841 -8.850 10.107 1.00 0.00 C ATOM 475 CG ASP A 34 2.108 -7.683 10.738 1.00 0.00 C ATOM 476 OD1 ASP A 34 2.303 -7.444 11.949 1.00 0.00 O ATOM 477 OD2 ASP A 34 1.339 -7.008 10.022 1.00 0.00 O ATOM 0 H ASP A 34 4.021 -11.222 9.751 1.00 0.00 H new ATOM 0 HA ASP A 34 2.354 -9.986 11.864 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.914 -8.661 10.138 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.561 -8.926 9.056 1.00 0.00 H new ATOM 482 N HIS A 35 1.485 -11.927 9.502 1.00 0.00 N ATOM 483 CA HIS A 35 0.375 -12.634 8.873 1.00 0.00 C ATOM 484 C HIS A 35 -0.331 -11.741 7.857 1.00 0.00 C ATOM 485 O HIS A 35 -1.532 -11.878 7.625 1.00 0.00 O ATOM 486 CB HIS A 35 -0.620 -13.109 9.931 1.00 0.00 C ATOM 487 CG HIS A 35 -0.056 -14.132 10.868 1.00 0.00 C ATOM 488 ND1 HIS A 35 0.248 -15.420 10.482 1.00 0.00 N ATOM 489 CD2 HIS A 35 0.261 -14.050 12.182 1.00 0.00 C ATOM 490 CE1 HIS A 35 0.726 -16.087 11.517 1.00 0.00 C ATOM 491 NE2 HIS A 35 0.745 -15.278 12.561 1.00 0.00 N ATOM 0 H HIS A 35 2.397 -12.359 9.355 1.00 0.00 H new ATOM 0 HA HIS A 35 0.778 -13.501 8.350 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.962 -12.250 10.508 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.495 -13.528 9.433 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.153 -13.181 12.814 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.047 -17.118 11.511 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.067 -15.525 13.497 1.00 0.00 H new ATOM 499 N VAL A 36 0.423 -10.827 7.254 1.00 0.00 N ATOM 500 CA VAL A 36 -0.131 -9.913 6.263 1.00 0.00 C ATOM 501 C VAL A 36 0.961 -9.049 5.642 1.00 0.00 C ATOM 502 O VAL A 36 1.868 -8.584 6.333 1.00 0.00 O ATOM 503 CB VAL A 36 -1.204 -8.997 6.882 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.638 -8.240 8.073 1.00 0.00 C ATOM 505 CG2 VAL A 36 -1.749 -8.035 5.837 1.00 0.00 C ATOM 0 H VAL A 36 1.419 -10.700 7.435 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.590 -10.527 5.488 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.027 -9.618 7.236 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.411 -7.598 8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.301 -8.950 8.829 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.204 -7.628 7.749 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.506 -7.395 6.291 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.937 -7.419 5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.195 -8.601 5.019 1.00 0.00 H new ATOM 515 N CYS A 37 0.868 -8.837 4.334 1.00 0.00 N ATOM 516 CA CYS A 37 1.848 -8.029 3.618 1.00 0.00 C ATOM 517 C CYS A 37 1.325 -7.631 2.242 1.00 0.00 C ATOM 518 O CYS A 37 0.671 -8.424 1.561 1.00 0.00 O ATOM 519 CB CYS A 37 3.164 -8.795 3.474 1.00 0.00 C ATOM 520 SG CYS A 37 4.582 -7.754 3.056 1.00 0.00 S ATOM 0 H CYS A 37 0.123 -9.214 3.748 1.00 0.00 H new ATOM 0 HA CYS A 37 2.025 -7.122 4.196 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.373 -9.316 4.408 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.046 -9.557 2.703 1.00 0.00 H new ATOM 0 HG CYS A 37 4.918 -7.956 1.817 1.00 0.00 H new ATOM 526 N LEU A 38 1.614 -6.399 1.838 1.00 0.00 N ATOM 527 CA LEU A 38 1.171 -5.895 0.542 1.00 0.00 C ATOM 528 C LEU A 38 2.047 -6.438 -0.582 1.00 0.00 C ATOM 529 O LEU A 38 3.262 -6.241 -0.584 1.00 0.00 O ATOM 530 CB LEU A 38 1.198 -4.366 0.532 1.00 0.00 C ATOM 531 CG LEU A 38 1.178 -3.703 -0.846 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.251 -3.558 -1.347 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.868 -2.348 -0.796 1.00 0.00 C ATOM 0 H LEU A 38 2.153 -5.731 2.389 1.00 0.00 H new ATOM 0 HA LEU A 38 0.149 -6.236 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.341 -4.004 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.093 -4.035 1.059 1.00 0.00 H new ATOM 0 HG LEU A 38 1.723 -4.340 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.246 -3.084 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.712 -4.543 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.820 -2.943 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.844 -1.891 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.351 -1.703 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.903 -2.478 -0.481 1.00 0.00 H new ATOM 545 N GLU A 39 1.422 -7.119 -1.537 1.00 0.00 N ATOM 546 CA GLU A 39 2.145 -7.689 -2.667 1.00 0.00 C ATOM 547 C GLU A 39 2.521 -6.605 -3.674 1.00 0.00 C ATOM 548 O GLU A 39 3.689 -6.239 -3.801 1.00 0.00 O ATOM 549 CB GLU A 39 1.301 -8.765 -3.352 1.00 0.00 C ATOM 550 CG GLU A 39 2.037 -9.507 -4.454 1.00 0.00 C ATOM 551 CD GLU A 39 1.372 -10.820 -4.820 1.00 0.00 C ATOM 552 OE1 GLU A 39 1.085 -11.616 -3.902 1.00 0.00 O ATOM 553 OE2 GLU A 39 1.137 -11.049 -6.025 1.00 0.00 O ATOM 0 H GLU A 39 0.416 -7.289 -1.550 1.00 0.00 H new ATOM 0 HA GLU A 39 3.060 -8.143 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.966 -9.483 -2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.408 -8.302 -3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.092 -8.873 -5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.061 -9.700 -4.135 1.00 0.00 H new ATOM 560 N ASN A 40 1.522 -6.097 -4.388 1.00 0.00 N ATOM 561 CA ASN A 40 1.747 -5.056 -5.385 1.00 0.00 C ATOM 562 C ASN A 40 0.744 -3.918 -5.219 1.00 0.00 C ATOM 563 O ASN A 40 -0.426 -4.149 -4.914 1.00 0.00 O ATOM 564 CB ASN A 40 1.645 -5.641 -6.795 1.00 0.00 C ATOM 565 CG ASN A 40 0.247 -6.132 -7.117 1.00 0.00 C ATOM 566 OD1 ASN A 40 -0.094 -7.285 -6.853 1.00 0.00 O ATOM 567 ND2 ASN A 40 -0.571 -5.256 -7.690 1.00 0.00 N ATOM 0 H ASN A 40 0.549 -6.389 -4.295 1.00 0.00 H new ATOM 0 HA ASN A 40 2.750 -4.656 -5.237 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.937 -4.883 -7.522 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.349 -6.467 -6.895 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.524 -5.529 -7.929 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.246 -4.310 -7.891 1.00 0.00 H new ATOM 574 N CYS A 41 1.211 -2.692 -5.424 1.00 0.00 N ATOM 575 CA CYS A 41 0.355 -1.517 -5.298 1.00 0.00 C ATOM 576 C CYS A 41 0.633 -0.519 -6.416 1.00 0.00 C ATOM 577 O CYS A 41 1.724 0.046 -6.502 1.00 0.00 O ATOM 578 CB CYS A 41 0.567 -0.850 -3.938 1.00 0.00 C ATOM 579 SG CYS A 41 -0.522 0.561 -3.630 1.00 0.00 S ATOM 0 H CYS A 41 2.177 -2.485 -5.678 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.682 -1.843 -5.377 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.414 -1.591 -3.154 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.603 -0.519 -3.865 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.269 1.056 -2.455 1.00 0.00 H new ATOM 585 N VAL A 42 -0.360 -0.307 -7.274 1.00 0.00 N ATOM 586 CA VAL A 42 -0.222 0.623 -8.389 1.00 0.00 C ATOM 587 C VAL A 42 -1.011 1.903 -8.137 1.00 0.00 C ATOM 588 O VAL A 42 -1.925 1.930 -7.312 1.00 0.00 O ATOM 589 CB VAL A 42 -0.700 -0.010 -9.709 1.00 0.00 C ATOM 590 CG1 VAL A 42 -0.028 -1.356 -9.931 1.00 0.00 C ATOM 591 CG2 VAL A 42 -2.214 -0.153 -9.714 1.00 0.00 C ATOM 0 H VAL A 42 -1.269 -0.767 -7.218 1.00 0.00 H new ATOM 0 HA VAL A 42 0.838 0.863 -8.472 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.418 0.649 -10.530 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.379 -1.787 -10.869 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.053 -1.220 -9.976 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.276 -2.026 -9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.534 -0.602 -10.654 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.522 -0.790 -8.885 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.673 0.830 -9.607 1.00 0.00 H new ATOM 601 N LEU A 43 -0.651 2.963 -8.853 1.00 0.00 N ATOM 602 CA LEU A 43 -1.326 4.249 -8.708 1.00 0.00 C ATOM 603 C LEU A 43 -1.710 4.819 -10.069 1.00 0.00 C ATOM 604 O LEU A 43 -0.847 5.193 -10.864 1.00 0.00 O ATOM 605 CB LEU A 43 -0.427 5.237 -7.963 1.00 0.00 C ATOM 606 CG LEU A 43 -1.138 6.394 -7.261 1.00 0.00 C ATOM 607 CD1 LEU A 43 -0.214 7.053 -6.249 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.632 7.413 -8.278 1.00 0.00 C ATOM 0 H LEU A 43 0.104 2.958 -9.539 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.237 4.091 -8.132 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.147 4.685 -7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.288 5.653 -8.673 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.001 5.995 -6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.737 7.874 -5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.090 6.320 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.669 7.438 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.135 8.229 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.785 7.807 -8.839 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.330 6.933 -8.964 1.00 0.00 H new ATOM 620 N LYS A 44 -3.011 4.884 -10.332 1.00 0.00 N ATOM 621 CA LYS A 44 -3.511 5.412 -11.596 1.00 0.00 C ATOM 622 C LYS A 44 -3.680 6.926 -11.524 1.00 0.00 C ATOM 623 O LYS A 44 -3.320 7.554 -10.528 1.00 0.00 O ATOM 624 CB LYS A 44 -4.846 4.755 -11.953 1.00 0.00 C ATOM 625 CG LYS A 44 -4.736 3.267 -12.235 1.00 0.00 C ATOM 626 CD LYS A 44 -4.950 2.444 -10.975 1.00 0.00 C ATOM 627 CE LYS A 44 -6.424 2.355 -10.611 1.00 0.00 C ATOM 628 NZ LYS A 44 -6.740 1.097 -9.879 1.00 0.00 N ATOM 0 H LYS A 44 -3.739 4.577 -9.686 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.781 5.183 -12.372 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.548 4.910 -11.134 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.263 5.252 -12.829 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.473 2.983 -12.986 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.754 3.046 -12.653 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.549 1.441 -11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.396 2.891 -10.149 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.698 3.212 -9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.026 2.408 -11.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.442 0.550 -10.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.873 0.533 -9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.125 1.328 -8.941 1.00 0.00 H new ATOM 642 N ASP A 45 -4.229 7.506 -12.586 1.00 0.00 N ATOM 643 CA ASP A 45 -4.448 8.947 -12.642 1.00 0.00 C ATOM 644 C ASP A 45 -4.984 9.468 -11.312 1.00 0.00 C ATOM 645 O ASP A 45 -4.291 10.185 -10.589 1.00 0.00 O ATOM 646 CB ASP A 45 -5.423 9.292 -13.769 1.00 0.00 C ATOM 647 CG ASP A 45 -4.733 9.417 -15.113 1.00 0.00 C ATOM 648 OD1 ASP A 45 -3.784 10.221 -15.220 1.00 0.00 O ATOM 649 OD2 ASP A 45 -5.143 8.710 -16.058 1.00 0.00 O ATOM 0 H ASP A 45 -4.530 7.001 -13.419 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.490 9.428 -12.840 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.192 8.522 -13.829 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.928 10.229 -13.535 1.00 0.00 H new ATOM 654 N LYS A 46 -6.221 9.103 -10.994 1.00 0.00 N ATOM 655 CA LYS A 46 -6.851 9.532 -9.751 1.00 0.00 C ATOM 656 C LYS A 46 -7.392 8.336 -8.974 1.00 0.00 C ATOM 657 O LYS A 46 -8.378 8.451 -8.248 1.00 0.00 O ATOM 658 CB LYS A 46 -7.984 10.518 -10.044 1.00 0.00 C ATOM 659 CG LYS A 46 -8.837 10.128 -11.238 1.00 0.00 C ATOM 660 CD LYS A 46 -9.940 9.160 -10.843 1.00 0.00 C ATOM 661 CE LYS A 46 -11.135 9.889 -10.249 1.00 0.00 C ATOM 662 NZ LYS A 46 -11.851 10.703 -11.269 1.00 0.00 N ATOM 0 H LYS A 46 -6.808 8.510 -11.581 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.095 10.027 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.621 10.598 -9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.558 11.506 -10.220 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.277 11.022 -11.679 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.208 9.672 -12.002 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.257 8.592 -11.717 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.554 8.442 -10.119 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.823 9.164 -9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.800 10.536 -9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.816 10.904 -10.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.343 11.598 -11.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.895 10.176 -12.165 1.00 0.00 H new ATOM 676 N ALA A 47 -6.739 7.189 -9.132 1.00 0.00 N ATOM 677 CA ALA A 47 -7.153 5.974 -8.442 1.00 0.00 C ATOM 678 C ALA A 47 -5.954 5.081 -8.136 1.00 0.00 C ATOM 679 O ALA A 47 -4.834 5.365 -8.559 1.00 0.00 O ATOM 680 CB ALA A 47 -8.177 5.217 -9.274 1.00 0.00 C ATOM 0 H ALA A 47 -5.922 7.076 -9.732 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.611 6.262 -7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.477 4.312 -8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.051 5.848 -9.438 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.738 4.948 -10.235 1.00 0.00 H new ATOM 686 N ILE A 48 -6.199 4.004 -7.398 1.00 0.00 N ATOM 687 CA ILE A 48 -5.139 3.070 -7.036 1.00 0.00 C ATOM 688 C ILE A 48 -5.662 1.638 -6.985 1.00 0.00 C ATOM 689 O ILE A 48 -6.869 1.409 -6.925 1.00 0.00 O ATOM 690 CB ILE A 48 -4.516 3.426 -5.673 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.469 3.046 -4.538 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.180 4.909 -5.616 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.866 3.218 -3.161 1.00 0.00 C ATOM 0 H ILE A 48 -7.121 3.756 -7.039 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.373 3.147 -7.808 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.593 2.859 -5.552 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.369 3.656 -4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.776 2.008 -4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.741 5.146 -4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.469 5.152 -6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.089 5.494 -5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.597 2.930 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.982 2.587 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.584 4.261 -3.015 1.00 0.00 H new ATOM 705 N ALA A 49 -4.743 0.678 -7.007 1.00 0.00 N ATOM 706 CA ALA A 49 -5.111 -0.732 -6.959 1.00 0.00 C ATOM 707 C ALA A 49 -3.962 -1.581 -6.425 1.00 0.00 C ATOM 708 O ALA A 49 -2.840 -1.508 -6.924 1.00 0.00 O ATOM 709 CB ALA A 49 -5.530 -1.215 -8.340 1.00 0.00 C ATOM 0 H ALA A 49 -3.739 0.851 -7.058 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.955 -0.839 -6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.802 -2.269 -8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.387 -0.635 -8.684 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.702 -1.087 -9.037 1.00 0.00 H new ATOM 715 N GLY A 50 -4.250 -2.386 -5.407 1.00 0.00 N ATOM 716 CA GLY A 50 -3.230 -3.237 -4.823 1.00 0.00 C ATOM 717 C GLY A 50 -3.815 -4.460 -4.144 1.00 0.00 C ATOM 718 O GLY A 50 -4.919 -4.410 -3.600 1.00 0.00 O ATOM 0 H GLY A 50 -5.171 -2.464 -4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.536 -3.554 -5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.654 -2.663 -4.097 1.00 0.00 H new ATOM 722 N THR A 51 -3.074 -5.563 -4.175 1.00 0.00 N ATOM 723 CA THR A 51 -3.526 -6.805 -3.561 1.00 0.00 C ATOM 724 C THR A 51 -2.671 -7.163 -2.351 1.00 0.00 C ATOM 725 O THR A 51 -1.443 -7.201 -2.436 1.00 0.00 O ATOM 726 CB THR A 51 -3.491 -7.973 -4.565 1.00 0.00 C ATOM 727 OG1 THR A 51 -2.161 -8.147 -5.067 1.00 0.00 O ATOM 728 CG2 THR A 51 -4.447 -7.723 -5.721 1.00 0.00 C ATOM 0 H THR A 51 -2.158 -5.621 -4.619 1.00 0.00 H new ATOM 0 HA THR A 51 -4.555 -6.643 -3.240 1.00 0.00 H new ATOM 0 HB THR A 51 -3.805 -8.879 -4.046 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.981 -7.474 -5.756 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.404 -8.561 -6.416 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.462 -7.621 -5.338 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.161 -6.807 -6.239 1.00 0.00 H new ATOM 736 N VAL A 52 -3.327 -7.426 -1.226 1.00 0.00 N ATOM 737 CA VAL A 52 -2.626 -7.784 0.002 1.00 0.00 C ATOM 738 C VAL A 52 -2.691 -9.286 0.255 1.00 0.00 C ATOM 739 O VAL A 52 -3.671 -9.944 -0.095 1.00 0.00 O ATOM 740 CB VAL A 52 -3.212 -7.044 1.219 1.00 0.00 C ATOM 741 CG1 VAL A 52 -2.575 -7.544 2.506 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.024 -5.541 1.070 1.00 0.00 C ATOM 0 H VAL A 52 -4.343 -7.398 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.586 -7.486 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.281 -7.250 1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.002 -7.009 3.355 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.766 -8.611 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.500 -7.370 2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.444 -5.034 1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.961 -5.313 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.533 -5.198 0.169 1.00 0.00 H new ATOM 752 N LYS A 53 -1.640 -9.823 0.865 1.00 0.00 N ATOM 753 CA LYS A 53 -1.577 -11.248 1.167 1.00 0.00 C ATOM 754 C LYS A 53 -1.855 -11.504 2.645 1.00 0.00 C ATOM 755 O LYS A 53 -1.549 -10.671 3.498 1.00 0.00 O ATOM 756 CB LYS A 53 -0.203 -11.810 0.792 1.00 0.00 C ATOM 757 CG LYS A 53 -0.105 -12.257 -0.657 1.00 0.00 C ATOM 758 CD LYS A 53 -1.041 -13.418 -0.947 1.00 0.00 C ATOM 759 CE LYS A 53 -0.505 -14.301 -2.064 1.00 0.00 C ATOM 760 NZ LYS A 53 0.642 -15.135 -1.610 1.00 0.00 N ATOM 0 H LYS A 53 -0.820 -9.293 1.160 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.343 -11.752 0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.555 -11.050 0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.024 -12.656 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.346 -11.421 -1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.921 -12.551 -0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.175 -14.013 -0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.023 -13.035 -1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.302 -14.948 -2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.192 -13.677 -2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.804 -15.903 -2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.496 -14.545 -1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.428 -15.541 -0.677 1.00 0.00 H new ATOM 774 N VAL A 54 -2.437 -12.662 2.941 1.00 0.00 N ATOM 775 CA VAL A 54 -2.754 -13.028 4.316 1.00 0.00 C ATOM 776 C VAL A 54 -2.604 -14.530 4.534 1.00 0.00 C ATOM 777 O VAL A 54 -2.740 -15.318 3.599 1.00 0.00 O ATOM 778 CB VAL A 54 -4.187 -12.607 4.693 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.338 -11.096 4.610 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.200 -13.303 3.797 1.00 0.00 C ATOM 0 H VAL A 54 -2.698 -13.362 2.247 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.047 -12.498 4.955 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.378 -12.911 5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.357 -10.817 4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.638 -10.622 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.128 -10.765 3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.207 -12.994 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.013 -13.032 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.107 -14.383 3.913 1.00 0.00 H new ATOM 790 N GLN A 55 -2.323 -14.918 5.774 1.00 0.00 N ATOM 791 CA GLN A 55 -2.155 -16.325 6.113 1.00 0.00 C ATOM 792 C GLN A 55 -3.507 -17.007 6.299 1.00 0.00 C ATOM 793 O GLN A 55 -4.435 -16.423 6.856 1.00 0.00 O ATOM 794 CB GLN A 55 -1.320 -16.468 7.387 1.00 0.00 C ATOM 795 CG GLN A 55 0.177 -16.526 7.130 1.00 0.00 C ATOM 796 CD GLN A 55 0.916 -17.351 8.165 1.00 0.00 C ATOM 797 OE1 GLN A 55 1.899 -16.741 8.818 1.00 0.00 O flip ATOM 798 NE2 GLN A 55 0.607 -18.524 8.377 1.00 0.00 N flip ATOM 0 H GLN A 55 -2.207 -14.278 6.559 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.634 -16.811 5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.534 -15.628 8.048 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.625 -17.373 7.912 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.356 -16.947 6.141 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.580 -15.513 7.123 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.155 -18.953 7.852 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.113 -19.066 9.077 1.00 0.00 H new ATOM 807 N ASN A 56 -3.609 -18.245 5.827 1.00 0.00 N ATOM 808 CA ASN A 56 -4.848 -19.006 5.940 1.00 0.00 C ATOM 809 C ASN A 56 -4.984 -19.621 7.330 1.00 0.00 C ATOM 810 O ASN A 56 -5.193 -20.827 7.469 1.00 0.00 O ATOM 811 CB ASN A 56 -4.895 -20.105 4.877 1.00 0.00 C ATOM 812 CG ASN A 56 -6.314 -20.506 4.522 1.00 0.00 C ATOM 813 OD1 ASN A 56 -6.755 -21.645 5.044 1.00 0.00 O flip ATOM 814 ND2 ASN A 56 -7.006 -19.800 3.788 1.00 0.00 N flip ATOM 0 H ASN A 56 -2.849 -18.742 5.363 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.681 -18.321 5.782 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.382 -19.760 3.979 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.353 -20.979 5.238 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.626 -18.932 3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.959 -20.083 3.559 1.00 0.00 H new ATOM 821 N LEU A 57 -4.866 -18.785 8.355 1.00 0.00 N ATOM 822 CA LEU A 57 -4.976 -19.245 9.735 1.00 0.00 C ATOM 823 C LEU A 57 -6.392 -19.724 10.037 1.00 0.00 C ATOM 824 O LEU A 57 -6.595 -20.857 10.475 1.00 0.00 O ATOM 825 CB LEU A 57 -4.588 -18.124 10.700 1.00 0.00 C ATOM 826 CG LEU A 57 -3.283 -17.391 10.387 1.00 0.00 C ATOM 827 CD1 LEU A 57 -3.144 -16.153 11.259 1.00 0.00 C ATOM 828 CD2 LEU A 57 -2.091 -18.317 10.579 1.00 0.00 C ATOM 0 H LEU A 57 -4.694 -17.784 8.257 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.292 -20.083 9.868 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.396 -17.393 10.720 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.514 -18.545 11.703 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.308 -17.075 9.344 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.210 -15.644 11.022 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.981 -15.480 11.072 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.142 -16.446 12.309 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.171 -17.778 10.352 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.062 -18.664 11.612 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.184 -19.173 9.911 1.00 0.00 H new ATOM 840 N ALA A 58 -7.369 -18.855 9.799 1.00 0.00 N ATOM 841 CA ALA A 58 -8.766 -19.191 10.042 1.00 0.00 C ATOM 842 C ALA A 58 -9.551 -19.254 8.736 1.00 0.00 C ATOM 843 O ALA A 58 -8.982 -19.127 7.651 1.00 0.00 O ATOM 844 CB ALA A 58 -9.395 -18.181 10.990 1.00 0.00 C ATOM 0 H ALA A 58 -7.218 -17.913 9.438 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.801 -20.177 10.504 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.439 -18.445 11.162 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.857 -18.188 11.938 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.340 -17.185 10.550 1.00 0.00 H new ATOM 850 N PHE A 59 -10.861 -19.450 8.847 1.00 0.00 N ATOM 851 CA PHE A 59 -11.723 -19.531 7.674 1.00 0.00 C ATOM 852 C PHE A 59 -12.229 -18.148 7.274 1.00 0.00 C ATOM 853 O PHE A 59 -12.068 -17.724 6.130 1.00 0.00 O ATOM 854 CB PHE A 59 -12.908 -20.459 7.949 1.00 0.00 C ATOM 855 CG PHE A 59 -13.456 -21.114 6.713 1.00 0.00 C ATOM 856 CD1 PHE A 59 -12.721 -22.077 6.040 1.00 0.00 C ATOM 857 CD2 PHE A 59 -14.705 -20.767 6.225 1.00 0.00 C ATOM 858 CE1 PHE A 59 -13.222 -22.682 4.903 1.00 0.00 C ATOM 859 CE2 PHE A 59 -15.212 -21.370 5.089 1.00 0.00 C ATOM 860 CZ PHE A 59 -14.469 -22.327 4.426 1.00 0.00 C ATOM 0 H PHE A 59 -11.348 -19.556 9.737 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.136 -19.936 6.850 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.599 -21.231 8.653 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.702 -19.888 8.431 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.745 -22.358 6.408 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -15.289 -20.017 6.738 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -12.639 -23.431 4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -16.189 -21.093 4.720 1.00 0.00 H new ATOM 0 HZ PHE A 59 -14.862 -22.797 3.537 1.00 0.00 H new ATOM 870 N GLU A 60 -12.841 -17.450 8.225 1.00 0.00 N ATOM 871 CA GLU A 60 -13.371 -16.115 7.972 1.00 0.00 C ATOM 872 C GLU A 60 -12.395 -15.042 8.447 1.00 0.00 C ATOM 873 O GLU A 60 -11.829 -15.140 9.536 1.00 0.00 O ATOM 874 CB GLU A 60 -14.721 -15.937 8.670 1.00 0.00 C ATOM 875 CG GLU A 60 -15.906 -16.366 7.821 1.00 0.00 C ATOM 876 CD GLU A 60 -17.235 -16.123 8.510 1.00 0.00 C ATOM 877 OE1 GLU A 60 -17.381 -16.536 9.679 1.00 0.00 O ATOM 878 OE2 GLU A 60 -18.128 -15.519 7.880 1.00 0.00 O ATOM 0 H GLU A 60 -12.982 -17.786 9.178 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.509 -16.005 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.721 -16.513 9.596 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.843 -14.890 8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.886 -15.824 6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.813 -17.426 7.583 1.00 0.00 H new ATOM 885 N LYS A 61 -12.202 -14.019 7.622 1.00 0.00 N ATOM 886 CA LYS A 61 -11.295 -12.927 7.955 1.00 0.00 C ATOM 887 C LYS A 61 -11.898 -11.581 7.565 1.00 0.00 C ATOM 888 O LYS A 61 -12.994 -11.518 7.006 1.00 0.00 O ATOM 889 CB LYS A 61 -9.951 -13.119 7.250 1.00 0.00 C ATOM 890 CG LYS A 61 -10.077 -13.377 5.759 1.00 0.00 C ATOM 891 CD LYS A 61 -8.819 -14.014 5.194 1.00 0.00 C ATOM 892 CE LYS A 61 -8.690 -15.468 5.622 1.00 0.00 C ATOM 893 NZ LYS A 61 -7.755 -16.224 4.743 1.00 0.00 N ATOM 0 H LYS A 61 -12.662 -13.923 6.717 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.137 -12.936 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.339 -12.231 7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.424 -13.954 7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.931 -14.029 5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.274 -12.438 5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.837 -13.954 4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.945 -13.456 5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.337 -15.513 6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.672 -15.941 5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.694 -17.210 5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.105 -16.202 3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.812 -15.788 4.783 1.00 0.00 H new ATOM 907 N THR A 62 -11.176 -10.505 7.863 1.00 0.00 N ATOM 908 CA THR A 62 -11.639 -9.161 7.543 1.00 0.00 C ATOM 909 C THR A 62 -10.483 -8.273 7.098 1.00 0.00 C ATOM 910 O THR A 62 -9.622 -7.910 7.899 1.00 0.00 O ATOM 911 CB THR A 62 -12.340 -8.507 8.748 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.500 -9.265 9.111 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.743 -7.075 8.429 1.00 0.00 C ATOM 0 H THR A 62 -10.268 -10.539 8.326 1.00 0.00 H new ATOM 0 HA THR A 62 -12.354 -9.259 6.726 1.00 0.00 H new ATOM 0 HB THR A 62 -11.640 -8.493 9.583 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.939 -8.843 9.879 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.236 -6.634 9.295 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.855 -6.493 8.182 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.427 -7.070 7.580 1.00 0.00 H new ATOM 921 N VAL A 63 -10.471 -7.924 5.815 1.00 0.00 N ATOM 922 CA VAL A 63 -9.421 -7.075 5.264 1.00 0.00 C ATOM 923 C VAL A 63 -9.985 -5.739 4.794 1.00 0.00 C ATOM 924 O VAL A 63 -10.948 -5.694 4.029 1.00 0.00 O ATOM 925 CB VAL A 63 -8.706 -7.761 4.086 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.586 -6.880 3.554 1.00 0.00 C ATOM 927 CG2 VAL A 63 -8.170 -9.122 4.507 1.00 0.00 C ATOM 0 H VAL A 63 -11.176 -8.216 5.138 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.702 -6.901 6.064 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.429 -7.912 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.092 -7.382 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.000 -5.932 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.861 -6.694 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.668 -9.593 3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.462 -8.997 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.996 -9.753 4.835 1.00 0.00 H new ATOM 937 N LYS A 64 -9.378 -4.651 5.256 1.00 0.00 N ATOM 938 CA LYS A 64 -9.816 -3.312 4.882 1.00 0.00 C ATOM 939 C LYS A 64 -8.628 -2.364 4.759 1.00 0.00 C ATOM 940 O LYS A 64 -7.688 -2.427 5.552 1.00 0.00 O ATOM 941 CB LYS A 64 -10.808 -2.771 5.914 1.00 0.00 C ATOM 942 CG LYS A 64 -12.228 -3.275 5.716 1.00 0.00 C ATOM 943 CD LYS A 64 -12.970 -3.385 7.037 1.00 0.00 C ATOM 944 CE LYS A 64 -14.402 -3.856 6.834 1.00 0.00 C ATOM 945 NZ LYS A 64 -15.306 -2.735 6.455 1.00 0.00 N ATOM 0 H LYS A 64 -8.580 -4.671 5.891 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.308 -3.377 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.469 -3.049 6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.808 -1.682 5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.766 -2.599 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.204 -4.250 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.446 -4.081 7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.972 -2.416 7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.426 -4.621 6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.765 -4.321 7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.272 -3.097 6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.303 -2.017 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.975 -2.307 5.567 1.00 0.00 H new ATOM 959 N ILE A 65 -8.676 -1.488 3.762 1.00 0.00 N ATOM 960 CA ILE A 65 -7.604 -0.526 3.538 1.00 0.00 C ATOM 961 C ILE A 65 -8.018 0.872 3.983 1.00 0.00 C ATOM 962 O ILE A 65 -9.036 1.401 3.537 1.00 0.00 O ATOM 963 CB ILE A 65 -7.191 -0.479 2.055 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.790 -1.873 1.570 1.00 0.00 C ATOM 965 CG2 ILE A 65 -6.050 0.507 1.854 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.476 -2.357 2.142 1.00 0.00 C ATOM 0 H ILE A 65 -9.446 -1.424 3.096 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.753 -0.857 4.134 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.044 -0.142 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.575 -2.581 1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.722 -1.865 0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.769 0.529 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.370 1.502 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.192 0.198 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.255 -3.352 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.679 -1.671 1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.545 -2.398 3.229 1.00 0.00 H new ATOM 978 N ARG A 66 -7.221 1.466 4.865 1.00 0.00 N ATOM 979 CA ARG A 66 -7.504 2.804 5.371 1.00 0.00 C ATOM 980 C ARG A 66 -6.497 3.814 4.830 1.00 0.00 C ATOM 981 O ARG A 66 -5.291 3.670 5.027 1.00 0.00 O ATOM 982 CB ARG A 66 -7.477 2.810 6.901 1.00 0.00 C ATOM 983 CG ARG A 66 -6.101 2.541 7.487 1.00 0.00 C ATOM 984 CD ARG A 66 -6.150 2.448 9.004 1.00 0.00 C ATOM 985 NE ARG A 66 -5.966 3.750 9.639 1.00 0.00 N ATOM 986 CZ ARG A 66 -5.593 3.905 10.904 1.00 0.00 C ATOM 987 NH1 ARG A 66 -5.364 2.843 11.666 1.00 0.00 N ATOM 988 NH2 ARG A 66 -5.447 5.122 11.410 1.00 0.00 N ATOM 0 H ARG A 66 -6.374 1.042 5.244 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.499 3.091 5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.832 3.777 7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.174 2.058 7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.705 1.612 7.077 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.417 3.337 7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.108 2.027 9.310 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.376 1.763 9.350 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.133 4.587 9.080 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.474 1.905 11.280 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.078 2.964 12.637 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.621 5.941 10.827 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.160 5.239 12.382 1.00 0.00 H new ATOM 1002 N MET A 67 -7.001 4.837 4.147 1.00 0.00 N ATOM 1003 CA MET A 67 -6.145 5.871 3.578 1.00 0.00 C ATOM 1004 C MET A 67 -6.746 7.256 3.798 1.00 0.00 C ATOM 1005 O MET A 67 -7.944 7.464 3.598 1.00 0.00 O ATOM 1006 CB MET A 67 -5.936 5.625 2.082 1.00 0.00 C ATOM 1007 CG MET A 67 -5.070 6.677 1.408 1.00 0.00 C ATOM 1008 SD MET A 67 -4.118 6.012 0.029 1.00 0.00 S ATOM 1009 CE MET A 67 -5.323 6.109 -1.292 1.00 0.00 C ATOM 0 H MET A 67 -7.997 4.972 3.974 1.00 0.00 H new ATOM 0 HA MET A 67 -5.181 5.828 4.084 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.477 4.646 1.944 1.00 0.00 H new ATOM 0 HB3 MET A 67 -6.907 5.595 1.588 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.703 7.488 1.050 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.388 7.106 2.142 1.00 0.00 H new ATOM 0 HE1 MET A 67 -4.826 6.399 -2.218 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.797 5.137 -1.424 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.081 6.851 -1.040 1.00 0.00 H new ATOM 1019 N THR A 68 -5.908 8.202 4.210 1.00 0.00 N ATOM 1020 CA THR A 68 -6.357 9.566 4.459 1.00 0.00 C ATOM 1021 C THR A 68 -5.779 10.531 3.430 1.00 0.00 C ATOM 1022 O THR A 68 -4.748 10.255 2.816 1.00 0.00 O ATOM 1023 CB THR A 68 -5.960 10.040 5.870 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.651 11.252 6.192 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.459 10.266 5.963 1.00 0.00 C ATOM 0 H THR A 68 -4.914 8.048 4.378 1.00 0.00 H new ATOM 0 HA THR A 68 -7.444 9.561 4.378 1.00 0.00 H new ATOM 0 HB THR A 68 -6.239 9.263 6.582 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.075 11.163 7.071 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.203 10.600 6.968 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.937 9.334 5.746 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.160 11.026 5.241 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.449 11.664 3.247 1.00 0.00 N ATOM 1034 CA PHE A 69 -6.001 12.670 2.291 1.00 0.00 C ATOM 1035 C PHE A 69 -5.913 14.044 2.950 1.00 0.00 C ATOM 1036 O PHE A 69 -5.714 15.055 2.277 1.00 0.00 O ATOM 1037 CB PHE A 69 -6.952 12.726 1.094 1.00 0.00 C ATOM 1038 CG PHE A 69 -7.142 11.399 0.417 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -6.154 10.876 -0.400 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -8.310 10.676 0.597 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -6.325 9.655 -1.025 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -8.487 9.454 -0.024 1.00 0.00 C ATOM 1043 CZ PHE A 69 -7.494 8.943 -0.837 1.00 0.00 C ATOM 0 H PHE A 69 -7.303 11.908 3.748 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.007 12.388 1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.921 13.097 1.427 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.568 13.443 0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.239 11.429 -0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.091 11.072 1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.546 9.258 -1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.401 8.899 0.126 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.631 7.989 -1.325 1.00 0.00 H new ATOM 1053 N ASP A 70 -6.063 14.072 4.269 1.00 0.00 N ATOM 1054 CA ASP A 70 -6.000 15.320 5.020 1.00 0.00 C ATOM 1055 C ASP A 70 -5.142 15.159 6.271 1.00 0.00 C ATOM 1056 O ASP A 70 -5.657 15.100 7.388 1.00 0.00 O ATOM 1057 CB ASP A 70 -7.407 15.778 5.408 1.00 0.00 C ATOM 1058 CG ASP A 70 -8.292 16.016 4.200 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -7.897 16.813 3.324 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -9.379 15.406 4.131 1.00 0.00 O ATOM 0 H ASP A 70 -6.229 13.244 4.841 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.543 16.076 4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.867 15.026 6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.339 16.696 5.992 1.00 0.00 H new ATOM 1065 N THR A 71 -3.829 15.088 6.076 1.00 0.00 N ATOM 1066 CA THR A 71 -2.898 14.932 7.187 1.00 0.00 C ATOM 1067 C THR A 71 -3.511 14.094 8.303 1.00 0.00 C ATOM 1068 O THR A 71 -3.450 14.465 9.476 1.00 0.00 O ATOM 1069 CB THR A 71 -2.472 16.297 7.759 1.00 0.00 C ATOM 1070 OG1 THR A 71 -2.322 17.247 6.699 1.00 0.00 O ATOM 1071 CG2 THR A 71 -1.166 16.177 8.529 1.00 0.00 C ATOM 0 H THR A 71 -3.386 15.136 5.158 1.00 0.00 H new ATOM 0 HA THR A 71 -2.019 14.422 6.794 1.00 0.00 H new ATOM 0 HB THR A 71 -3.249 16.638 8.444 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.053 18.113 7.071 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.885 17.154 8.924 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.293 15.475 9.353 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.383 15.816 7.863 1.00 0.00 H new ATOM 1079 N TRP A 72 -4.100 12.963 7.933 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.724 12.072 8.904 1.00 0.00 C ATOM 1081 C TRP A 72 -5.785 12.808 9.716 1.00 0.00 C ATOM 1082 O TRP A 72 -5.828 12.702 10.942 1.00 0.00 O ATOM 1083 CB TRP A 72 -3.667 11.483 9.839 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.829 10.421 9.194 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -1.532 10.538 8.783 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -3.231 9.082 8.885 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -1.103 9.352 8.237 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -2.126 8.443 8.288 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -4.415 8.361 9.056 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -2.175 7.119 7.862 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -4.461 7.047 8.632 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -3.347 6.436 8.041 1.00 0.00 C ATOM 0 H TRP A 72 -4.159 12.641 6.967 1.00 0.00 H new ATOM 0 HA TRP A 72 -5.208 11.262 8.358 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.017 12.284 10.192 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.161 11.064 10.716 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.932 11.431 8.874 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -0.173 9.177 7.856 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -5.279 8.822 9.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.317 6.647 7.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -5.372 6.481 8.758 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -3.415 5.407 7.721 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.640 13.555 9.025 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.702 14.308 9.681 1.00 0.00 C ATOM 1105 C LYS A 73 -9.011 13.525 9.670 1.00 0.00 C ATOM 1106 O LYS A 73 -9.799 13.602 10.612 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.898 15.660 8.990 1.00 0.00 C ATOM 1108 CG LYS A 73 -6.964 16.744 9.500 1.00 0.00 C ATOM 1109 CD LYS A 73 -7.621 18.113 9.453 1.00 0.00 C ATOM 1110 CE LYS A 73 -8.955 18.117 10.184 1.00 0.00 C ATOM 1111 NZ LYS A 73 -9.309 19.475 10.684 1.00 0.00 N ATOM 0 H LYS A 73 -6.618 13.655 8.010 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.408 14.475 10.717 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.746 15.536 7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.929 15.985 9.131 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.666 16.517 10.524 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.055 16.755 8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.957 18.852 9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.773 18.409 8.415 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.738 17.761 9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.912 17.421 11.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.224 19.436 11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.575 19.804 11.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.375 20.134 9.882 1.00 0.00 H new ATOM 1125 N SER A 74 -9.235 12.771 8.598 1.00 0.00 N ATOM 1126 CA SER A 74 -10.450 11.975 8.464 1.00 0.00 C ATOM 1127 C SER A 74 -10.400 11.117 7.204 1.00 0.00 C ATOM 1128 O SER A 74 -10.447 11.633 6.086 1.00 0.00 O ATOM 1129 CB SER A 74 -11.679 12.885 8.428 1.00 0.00 C ATOM 1130 OG SER A 74 -12.145 13.166 9.736 1.00 0.00 O ATOM 0 H SER A 74 -8.592 12.695 7.810 1.00 0.00 H new ATOM 0 HA SER A 74 -10.521 11.315 9.329 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.431 13.816 7.919 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.471 12.408 7.851 1.00 0.00 H new ATOM 0 HG SER A 74 -11.394 13.456 10.295 1.00 0.00 H new ATOM 1136 N TYR A 75 -10.306 9.806 7.392 1.00 0.00 N ATOM 1137 CA TYR A 75 -10.248 8.875 6.271 1.00 0.00 C ATOM 1138 C TYR A 75 -11.503 8.010 6.215 1.00 0.00 C ATOM 1139 O TYR A 75 -12.354 8.071 7.103 1.00 0.00 O ATOM 1140 CB TYR A 75 -9.007 7.987 6.382 1.00 0.00 C ATOM 1141 CG TYR A 75 -8.824 7.372 7.752 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -9.388 6.140 8.063 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -8.089 8.022 8.734 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -9.224 5.575 9.312 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -7.918 7.464 9.986 1.00 0.00 C ATOM 1146 CZ TYR A 75 -8.488 6.240 10.270 1.00 0.00 C ATOM 1147 OH TYR A 75 -8.321 5.681 11.517 1.00 0.00 O ATOM 0 H TYR A 75 -10.268 9.363 8.310 1.00 0.00 H new ATOM 0 HA TYR A 75 -10.189 9.457 5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.073 7.190 5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.124 8.578 6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -9.964 5.616 7.315 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.643 8.981 8.515 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -9.670 4.617 9.538 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -7.342 7.983 10.738 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.776 6.277 12.072 1.00 0.00 H new ATOM 1157 N THR A 76 -11.612 7.203 5.165 1.00 0.00 N ATOM 1158 CA THR A 76 -12.762 6.326 4.991 1.00 0.00 C ATOM 1159 C THR A 76 -12.330 4.868 4.879 1.00 0.00 C ATOM 1160 O THR A 76 -11.350 4.551 4.204 1.00 0.00 O ATOM 1161 CB THR A 76 -13.575 6.706 3.738 1.00 0.00 C ATOM 1162 OG1 THR A 76 -14.055 8.050 3.855 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.749 5.758 3.547 1.00 0.00 C ATOM 0 H THR A 76 -10.917 7.139 4.421 1.00 0.00 H new ATOM 0 HA THR A 76 -13.389 6.450 5.874 1.00 0.00 H new ATOM 0 HB THR A 76 -12.921 6.628 2.870 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.569 8.285 3.054 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.308 6.046 2.657 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.379 4.740 3.429 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.403 5.808 4.418 1.00 0.00 H new ATOM 1171 N ASP A 77 -13.067 3.985 5.544 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.760 2.559 5.517 1.00 0.00 C ATOM 1173 C ASP A 77 -13.257 1.921 4.224 1.00 0.00 C ATOM 1174 O ASP A 77 -14.462 1.789 4.007 1.00 0.00 O ATOM 1175 CB ASP A 77 -13.390 1.858 6.722 1.00 0.00 C ATOM 1176 CG ASP A 77 -12.532 1.965 7.967 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -12.341 3.096 8.460 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -12.052 0.917 8.449 1.00 0.00 O ATOM 0 H ASP A 77 -13.881 4.231 6.108 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.677 2.444 5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -14.369 2.293 6.921 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.551 0.806 6.484 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.321 1.526 3.368 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.664 0.902 2.094 1.00 0.00 C ATOM 1185 C PHE A 78 -12.536 -0.616 2.180 1.00 0.00 C ATOM 1186 O PHE A 78 -11.469 -1.159 2.466 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.763 1.439 0.981 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.495 2.913 1.085 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.505 3.833 0.852 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.232 3.380 1.415 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -12.261 5.190 0.947 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -9.983 4.736 1.512 1.00 0.00 C ATOM 1193 CZ PHE A 78 -10.999 5.642 1.277 1.00 0.00 C ATOM 0 H PHE A 78 -11.319 1.626 3.532 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.700 1.149 1.864 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.814 0.903 1.002 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.226 1.229 0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.494 3.485 0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.434 2.676 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.057 5.896 0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.995 5.087 1.771 1.00 0.00 H new ATOM 0 HZ PHE A 78 -10.806 6.702 1.351 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.651 -1.318 1.928 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.690 -2.783 1.971 1.00 0.00 C ATOM 1205 C PRO A 79 -12.913 -3.417 0.822 1.00 0.00 C ATOM 1206 O PRO A 79 -12.967 -2.943 -0.313 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.182 -3.101 1.847 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.763 -1.927 1.138 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.958 -0.736 1.582 1.00 0.00 C ATOM 0 HA PRO A 79 -13.230 -3.177 2.877 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.345 -4.022 1.287 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.640 -3.238 2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.706 -2.056 0.057 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.816 -1.802 1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.870 0.007 0.790 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.415 -0.238 2.437 1.00 0.00 H new ATOM 1217 N CYS A 80 -12.191 -4.491 1.124 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.402 -5.190 0.116 1.00 0.00 C ATOM 1219 C CYS A 80 -12.237 -6.258 -0.583 1.00 0.00 C ATOM 1220 O CYS A 80 -13.164 -6.816 0.003 1.00 0.00 O ATOM 1221 CB CYS A 80 -10.168 -5.828 0.756 1.00 0.00 C ATOM 1222 SG CYS A 80 -8.717 -4.751 0.795 1.00 0.00 S ATOM 0 H CYS A 80 -12.136 -4.896 2.058 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.080 -4.461 -0.628 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.414 -6.126 1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.918 -6.737 0.210 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.935 -5.041 -0.202 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.902 -6.535 -1.840 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.623 -7.534 -2.619 1.00 0.00 C ATOM 1230 C GLN A 81 -11.854 -8.850 -2.661 1.00 0.00 C ATOM 1231 O GLN A 81 -10.759 -8.959 -2.110 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.865 -7.025 -4.041 1.00 0.00 C ATOM 1233 CG GLN A 81 -14.006 -6.025 -4.144 1.00 0.00 C ATOM 1234 CD GLN A 81 -15.343 -6.690 -4.407 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -15.689 -6.983 -5.552 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -16.102 -6.933 -3.345 1.00 0.00 N ATOM 0 H GLN A 81 -11.137 -6.082 -2.339 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.584 -7.711 -2.136 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.951 -6.561 -4.412 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.077 -7.874 -4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.066 -5.451 -3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.793 -5.317 -4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.775 -6.673 -2.414 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.012 -7.380 -3.460 1.00 0.00 H new ATOM 1245 N TYR A 82 -12.434 -9.848 -3.319 1.00 0.00 N ATOM 1246 CA TYR A 82 -11.805 -11.158 -3.431 1.00 0.00 C ATOM 1247 C TYR A 82 -11.388 -11.441 -4.871 1.00 0.00 C ATOM 1248 O TYR A 82 -12.198 -11.349 -5.793 1.00 0.00 O ATOM 1249 CB TYR A 82 -12.758 -12.249 -2.940 1.00 0.00 C ATOM 1250 CG TYR A 82 -12.302 -13.650 -3.279 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -11.109 -14.154 -2.775 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -13.062 -14.469 -4.104 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -10.687 -15.433 -3.083 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -12.649 -15.750 -4.416 1.00 0.00 C ATOM 1255 CZ TYR A 82 -11.461 -16.227 -3.903 1.00 0.00 C ATOM 1256 OH TYR A 82 -11.045 -17.502 -4.213 1.00 0.00 O ATOM 0 H TYR A 82 -13.339 -9.774 -3.783 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.912 -11.158 -2.807 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.868 -12.164 -1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.743 -12.082 -3.375 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.501 -13.535 -2.131 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.992 -14.098 -4.509 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.756 -15.809 -2.684 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.253 -16.374 -5.058 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.705 -17.928 -4.800 1.00 0.00 H new ATOM 1266 N VAL A 83 -10.118 -11.787 -5.055 1.00 0.00 N ATOM 1267 CA VAL A 83 -9.592 -12.086 -6.382 1.00 0.00 C ATOM 1268 C VAL A 83 -9.483 -13.590 -6.604 1.00 0.00 C ATOM 1269 O VAL A 83 -8.681 -14.268 -5.961 1.00 0.00 O ATOM 1270 CB VAL A 83 -8.207 -11.445 -6.594 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -7.673 -11.774 -7.979 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -8.279 -9.940 -6.384 1.00 0.00 C ATOM 0 H VAL A 83 -9.434 -11.867 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.293 -11.665 -7.103 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.518 -11.859 -5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.694 -11.313 -8.111 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.582 -12.855 -8.087 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.359 -11.390 -8.734 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.292 -9.504 -6.538 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.982 -9.507 -7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.614 -9.730 -5.368 1.00 0.00 H new ATOM 1415 N ASP A 93 -5.096 -17.186 -0.192 1.00 0.00 N ATOM 1416 CA ASP A 93 -6.096 -16.189 -0.558 1.00 0.00 C ATOM 1417 C ASP A 93 -5.444 -14.835 -0.818 1.00 0.00 C ATOM 1418 O ASP A 93 -4.448 -14.481 -0.186 1.00 0.00 O ATOM 1419 CB ASP A 93 -7.146 -16.059 0.547 1.00 0.00 C ATOM 1420 CG ASP A 93 -7.544 -17.402 1.128 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -6.657 -18.110 1.648 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -8.744 -17.745 1.062 1.00 0.00 O ATOM 0 HA ASP A 93 -6.584 -16.520 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.756 -15.424 1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.030 -15.563 0.147 1.00 0.00 H new ATOM 1427 N THR A 94 -6.012 -14.080 -1.754 1.00 0.00 N ATOM 1428 CA THR A 94 -5.485 -12.766 -2.100 1.00 0.00 C ATOM 1429 C THR A 94 -6.608 -11.749 -2.264 1.00 0.00 C ATOM 1430 O THR A 94 -7.499 -11.922 -3.096 1.00 0.00 O ATOM 1431 CB THR A 94 -4.658 -12.816 -3.399 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.546 -13.703 -3.238 1.00 0.00 O ATOM 1433 CG2 THR A 94 -4.158 -11.430 -3.776 1.00 0.00 C ATOM 0 H THR A 94 -6.837 -14.357 -2.286 1.00 0.00 H new ATOM 0 HA THR A 94 -4.838 -12.459 -1.278 1.00 0.00 H new ATOM 0 HB THR A 94 -5.301 -13.182 -4.199 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.026 -13.730 -4.069 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.577 -11.491 -4.696 1.00 0.00 H new ATOM 0 HG22 THR A 94 -5.008 -10.765 -3.927 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.530 -11.040 -2.975 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.559 -10.687 -1.467 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.574 -9.641 -1.525 1.00 0.00 C ATOM 1443 C PHE A 95 -7.082 -8.450 -2.343 1.00 0.00 C ATOM 1444 O PHE A 95 -5.880 -8.267 -2.531 1.00 0.00 O ATOM 1445 CB PHE A 95 -7.947 -9.184 -0.113 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.584 -10.262 0.717 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -7.804 -11.161 1.427 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -9.963 -10.376 0.787 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -8.387 -12.153 2.192 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -10.552 -11.366 1.551 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.763 -12.257 2.253 1.00 0.00 C ATOM 0 H PHE A 95 -5.828 -10.528 -0.774 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.458 -10.054 -2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.050 -8.828 0.394 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.631 -8.338 -0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.728 -11.085 1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.585 -9.684 0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.768 -12.846 2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.628 -11.443 1.599 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.221 -13.033 2.848 1.00 0.00 H new ATOM 1461 N SER A 96 -8.022 -7.645 -2.828 1.00 0.00 N ATOM 1462 CA SER A 96 -7.686 -6.475 -3.630 1.00 0.00 C ATOM 1463 C SER A 96 -8.389 -5.230 -3.097 1.00 0.00 C ATOM 1464 O SER A 96 -9.415 -5.323 -2.422 1.00 0.00 O ATOM 1465 CB SER A 96 -8.072 -6.705 -5.093 1.00 0.00 C ATOM 1466 OG SER A 96 -9.479 -6.715 -5.253 1.00 0.00 O ATOM 0 H SER A 96 -9.022 -7.782 -2.679 1.00 0.00 H new ATOM 0 HA SER A 96 -6.609 -6.319 -3.566 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.638 -5.922 -5.714 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.657 -7.652 -5.437 1.00 0.00 H new ATOM 0 HG SER A 96 -9.700 -6.862 -6.196 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.829 -4.065 -3.404 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.400 -2.800 -2.955 1.00 0.00 C ATOM 1474 C PHE A 97 -8.295 -1.738 -4.046 1.00 0.00 C ATOM 1475 O PHE A 97 -7.255 -1.596 -4.690 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.692 -2.318 -1.687 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.260 -1.925 -1.914 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -5.942 -0.668 -2.404 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -5.232 -2.811 -1.635 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.625 -0.305 -2.614 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -3.913 -2.453 -1.843 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.609 -1.197 -2.332 1.00 0.00 C ATOM 0 H PHE A 97 -6.980 -3.970 -3.962 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.455 -2.964 -2.733 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.234 -1.465 -1.279 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.729 -3.108 -0.937 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.732 0.035 -2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.464 -3.793 -1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.390 0.676 -2.999 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.121 -3.154 -1.624 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.579 -0.913 -2.493 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.378 -0.996 -4.247 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.409 0.053 -5.259 1.00 0.00 C ATOM 1494 C ASP A 98 -9.918 1.364 -4.667 1.00 0.00 C ATOM 1495 O ASP A 98 -11.125 1.575 -4.548 1.00 0.00 O ATOM 1496 CB ASP A 98 -10.293 -0.367 -6.434 1.00 0.00 C ATOM 1497 CG ASP A 98 -10.194 -1.851 -6.731 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -10.978 -2.626 -6.146 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -9.331 -2.236 -7.548 1.00 0.00 O ATOM 0 H ASP A 98 -10.246 -1.102 -3.722 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.391 0.207 -5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -11.330 -0.112 -6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -10.006 0.198 -7.321 1.00 0.00 H new ATOM 1504 N ILE A 99 -8.989 2.240 -4.297 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.344 3.529 -3.718 1.00 0.00 C ATOM 1506 C ILE A 99 -9.282 4.638 -4.763 1.00 0.00 C ATOM 1507 O ILE A 99 -8.396 4.650 -5.618 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.416 3.894 -2.544 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.631 2.927 -1.377 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -8.660 5.329 -2.101 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.475 2.892 -0.401 1.00 0.00 C ATOM 0 H ILE A 99 -7.986 2.080 -4.388 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.365 3.437 -3.349 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.382 3.809 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.538 3.210 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.793 1.924 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.997 5.571 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.462 6.005 -2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -9.696 5.440 -1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.696 2.186 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.569 2.579 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.326 3.885 0.022 1.00 0.00 H new ATOM 1523 N SER A 100 -10.227 5.569 -4.688 1.00 0.00 N ATOM 1524 CA SER A 100 -10.281 6.681 -5.629 1.00 0.00 C ATOM 1525 C SER A 100 -9.558 7.902 -5.069 1.00 0.00 C ATOM 1526 O SER A 100 -9.989 8.493 -4.077 1.00 0.00 O ATOM 1527 CB SER A 100 -11.735 7.037 -5.948 1.00 0.00 C ATOM 1528 OG SER A 100 -12.480 7.251 -4.762 1.00 0.00 O ATOM 0 H SER A 100 -10.966 5.575 -3.985 1.00 0.00 H new ATOM 0 HA SER A 100 -9.780 6.373 -6.547 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.766 7.934 -6.567 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.191 6.234 -6.527 1.00 0.00 H new ATOM 0 HG SER A 100 -11.934 7.748 -4.118 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.457 8.276 -5.710 1.00 0.00 N ATOM 1535 CA LEU A 101 -7.672 9.427 -5.277 1.00 0.00 C ATOM 1536 C LEU A 101 -8.496 10.708 -5.357 1.00 0.00 C ATOM 1537 O LEU A 101 -9.423 10.831 -6.158 1.00 0.00 O ATOM 1538 CB LEU A 101 -6.413 9.563 -6.135 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.467 8.362 -6.133 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.358 8.554 -7.156 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -4.883 8.145 -4.745 1.00 0.00 C ATOM 0 H LEU A 101 -8.087 7.799 -6.532 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.381 9.267 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.718 9.759 -7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.858 10.438 -5.795 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.037 7.475 -6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.695 7.689 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.794 8.659 -8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.790 9.452 -6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.212 7.286 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.328 9.033 -4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.690 7.961 -4.036 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.151 11.688 -4.508 1.00 0.00 N ATOM 1554 CA PRO A 102 -8.844 12.979 -4.465 1.00 0.00 C ATOM 1555 C PRO A 102 -8.573 13.824 -5.705 1.00 0.00 C ATOM 1556 O PRO A 102 -7.916 13.373 -6.643 1.00 0.00 O ATOM 1557 CB PRO A 102 -8.260 13.653 -3.221 1.00 0.00 C ATOM 1558 CG PRO A 102 -6.919 13.029 -3.045 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.056 11.611 -3.526 1.00 0.00 C ATOM 0 HA PRO A 102 -9.927 12.860 -4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.180 14.732 -3.356 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.891 13.487 -2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.161 13.564 -3.618 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.609 13.059 -2.000 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.133 11.250 -3.980 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.296 10.931 -2.709 1.00 0.00 H new ATOM 1687 N ARG A 110 -0.709 15.842 3.879 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.055 14.544 3.764 1.00 0.00 C ATOM 1689 C ARG A 110 -1.039 13.481 3.282 1.00 0.00 C ATOM 1690 O ARG A 110 -2.253 13.659 3.373 1.00 0.00 O ATOM 1691 CB ARG A 110 0.543 14.128 5.109 1.00 0.00 C ATOM 1692 CG ARG A 110 1.795 13.276 4.982 1.00 0.00 C ATOM 1693 CD ARG A 110 3.004 14.116 4.599 1.00 0.00 C ATOM 1694 NE ARG A 110 3.537 14.858 5.738 1.00 0.00 N ATOM 1695 CZ ARG A 110 4.381 14.340 6.623 1.00 0.00 C ATOM 1696 NH1 ARG A 110 4.787 13.084 6.501 1.00 0.00 N ATOM 1697 NH2 ARG A 110 4.822 15.079 7.633 1.00 0.00 N ATOM 0 HA ARG A 110 0.746 14.633 3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.780 15.023 5.684 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.207 13.575 5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.988 12.768 5.927 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.635 12.502 4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.781 13.469 4.192 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.725 14.814 3.810 1.00 0.00 H new ATOM 0 HE ARG A 110 3.245 15.828 5.861 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.451 12.512 5.726 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.435 12.689 7.182 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.513 16.046 7.730 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.470 14.680 8.312 1.00 0.00 H new ATOM 1711 N MET A 111 -0.506 12.377 2.770 1.00 0.00 N ATOM 1712 CA MET A 111 -1.337 11.286 2.275 1.00 0.00 C ATOM 1713 C MET A 111 -0.686 9.935 2.558 1.00 0.00 C ATOM 1714 O MET A 111 0.345 9.599 1.977 1.00 0.00 O ATOM 1715 CB MET A 111 -1.581 11.443 0.773 1.00 0.00 C ATOM 1716 CG MET A 111 -2.335 10.277 0.154 1.00 0.00 C ATOM 1717 SD MET A 111 -2.807 10.585 -1.558 1.00 0.00 S ATOM 1718 CE MET A 111 -1.245 11.128 -2.247 1.00 0.00 C ATOM 0 H MET A 111 0.497 12.214 2.687 1.00 0.00 H new ATOM 0 HA MET A 111 -2.293 11.325 2.797 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.142 12.361 0.598 1.00 0.00 H new ATOM 0 HB3 MET A 111 -0.622 11.554 0.267 1.00 0.00 H new ATOM 0 HG2 MET A 111 -1.714 9.382 0.200 1.00 0.00 H new ATOM 0 HG3 MET A 111 -3.230 10.075 0.743 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.168 10.793 -3.281 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.191 12.216 -2.213 1.00 0.00 H new ATOM 0 HE3 MET A 111 -0.425 10.705 -1.667 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.296 9.166 3.455 1.00 0.00 N ATOM 1729 CA GLU A 112 -0.774 7.853 3.815 1.00 0.00 C ATOM 1730 C GLU A 112 -1.907 6.846 3.990 1.00 0.00 C ATOM 1731 O GLU A 112 -3.075 7.221 4.096 1.00 0.00 O ATOM 1732 CB GLU A 112 0.048 7.942 5.102 1.00 0.00 C ATOM 1733 CG GLU A 112 0.986 9.136 5.144 1.00 0.00 C ATOM 1734 CD GLU A 112 2.364 8.816 4.599 1.00 0.00 C ATOM 1735 OE1 GLU A 112 2.718 7.620 4.544 1.00 0.00 O ATOM 1736 OE2 GLU A 112 3.089 9.763 4.226 1.00 0.00 O ATOM 0 H GLU A 112 -2.151 9.429 3.945 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.130 7.512 3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.630 7.994 5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.631 7.028 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.553 9.954 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.078 9.484 6.173 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.554 5.566 4.020 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.540 4.504 4.181 1.00 0.00 C ATOM 1745 C PHE A 113 -1.942 3.314 4.925 1.00 0.00 C ATOM 1746 O PHE A 113 -0.723 3.167 5.004 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.064 4.054 2.815 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.199 3.022 2.151 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.207 1.707 2.587 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.377 3.367 1.090 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.413 0.754 1.978 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.580 2.418 0.477 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.597 1.111 0.922 1.00 0.00 C ATOM 0 H PHE A 113 -0.592 5.238 3.935 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.369 4.899 4.769 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.069 3.651 2.936 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.145 4.923 2.162 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.842 1.423 3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.359 4.388 0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.430 -0.268 2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.056 2.699 -0.350 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.027 0.369 0.445 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.810 2.467 5.470 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.368 1.290 6.207 1.00 0.00 C ATOM 1765 C ALA A 114 -3.309 0.112 5.974 1.00 0.00 C ATOM 1766 O ALA A 114 -4.460 0.293 5.577 1.00 0.00 O ATOM 1767 CB ALA A 114 -2.269 1.603 7.692 1.00 0.00 C ATOM 0 H ALA A 114 -3.823 2.574 5.415 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.380 1.011 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.938 0.715 8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.552 2.409 7.847 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.246 1.910 8.065 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.811 -1.095 6.223 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.608 -2.303 6.042 1.00 0.00 C ATOM 1775 C VAL A 115 -4.060 -2.870 7.382 1.00 0.00 C ATOM 1776 O VAL A 115 -3.299 -2.883 8.351 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.821 -3.384 5.278 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.669 -4.634 5.096 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -2.349 -2.850 3.934 1.00 0.00 C ATOM 0 H VAL A 115 -1.860 -1.262 6.551 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.484 -2.020 5.458 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.943 -3.652 5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.096 -5.387 4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.952 -5.027 6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.567 -4.385 4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.795 -3.627 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.211 -2.552 3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.702 -1.987 4.092 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.301 -3.340 7.432 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.856 -3.907 8.655 1.00 0.00 C ATOM 1791 C TYR A 116 -6.397 -5.312 8.407 1.00 0.00 C ATOM 1792 O TYR A 116 -7.520 -5.482 7.931 1.00 0.00 O ATOM 1793 CB TYR A 116 -6.968 -3.009 9.200 1.00 0.00 C ATOM 1794 CG TYR A 116 -8.082 -3.771 9.881 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.813 -4.661 10.914 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.405 -3.600 9.492 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.828 -5.359 11.538 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.427 -4.294 10.111 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.133 -5.172 11.133 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.147 -5.865 11.753 1.00 0.00 O ATOM 0 H TYR A 116 -5.942 -3.340 6.639 1.00 0.00 H new ATOM 0 HA TYR A 116 -5.055 -3.970 9.392 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.538 -2.301 9.908 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.387 -2.425 8.380 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.792 -4.809 11.234 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.638 -2.913 8.692 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.601 -6.047 12.339 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.450 -4.150 9.796 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.006 -5.618 11.350 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.591 -6.315 8.734 1.00 0.00 N ATOM 1811 CA TYR A 117 -5.986 -7.706 8.546 1.00 0.00 C ATOM 1812 C TYR A 117 -6.439 -8.327 9.864 1.00 0.00 C ATOM 1813 O TYR A 117 -5.664 -8.425 10.815 1.00 0.00 O ATOM 1814 CB TYR A 117 -4.826 -8.514 7.962 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.065 -10.006 7.964 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.245 -10.542 7.462 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.111 -10.882 8.468 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -6.468 -11.905 7.463 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.325 -12.247 8.471 1.00 0.00 C ATOM 1820 CZ TYR A 117 -5.505 -12.753 7.969 1.00 0.00 C ATOM 1821 OH TYR A 117 -5.723 -14.112 7.970 1.00 0.00 O ATOM 0 H TYR A 117 -4.660 -6.191 9.131 1.00 0.00 H new ATOM 0 HA TYR A 117 -6.823 -7.727 7.848 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.644 -8.185 6.939 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -3.922 -8.299 8.531 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -7.001 -9.881 7.064 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.186 -10.489 8.864 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.391 -12.305 7.070 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -3.572 -12.914 8.864 1.00 0.00 H new ATOM 0 HH TYR A 117 -5.022 -14.556 7.449 1.00 0.00 H new ATOM 1831 N GLU A 118 -7.701 -8.744 9.912 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.258 -9.355 11.113 1.00 0.00 C ATOM 1833 C GLU A 118 -8.496 -10.847 10.903 1.00 0.00 C ATOM 1834 O GLU A 118 -9.027 -11.263 9.873 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.569 -8.667 11.500 1.00 0.00 C ATOM 1836 CG GLU A 118 -9.844 -8.679 12.995 1.00 0.00 C ATOM 1837 CD GLU A 118 -10.131 -10.071 13.524 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -10.640 -10.907 12.748 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -9.847 -10.325 14.713 1.00 0.00 O ATOM 0 H GLU A 118 -8.356 -8.670 9.134 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.538 -9.230 11.922 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.544 -7.634 11.152 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.394 -9.158 10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.985 -8.264 13.522 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.693 -8.030 13.210 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.100 -11.647 11.887 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.269 -13.094 11.812 1.00 0.00 C ATOM 1848 C CYS A 119 -7.883 -13.756 13.130 1.00 0.00 C ATOM 1849 O CYS A 119 -6.927 -13.345 13.786 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.426 -13.668 10.672 1.00 0.00 C ATOM 1851 SG CYS A 119 -7.821 -15.381 10.251 1.00 0.00 S ATOM 0 H CYS A 119 -7.660 -11.318 12.746 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.321 -13.303 11.617 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -7.561 -13.047 9.786 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -6.373 -13.606 10.947 1.00 0.00 H new ATOM 0 HG CYS A 119 -7.198 -15.714 9.160 1.00 0.00 H new ATOM 1857 N ASN A 120 -8.635 -14.783 13.513 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.373 -15.502 14.755 1.00 0.00 C ATOM 1859 C ASN A 120 -8.375 -14.548 15.945 1.00 0.00 C ATOM 1860 O ASN A 120 -7.474 -14.581 16.782 1.00 0.00 O ATOM 1861 CB ASN A 120 -7.031 -16.231 14.673 1.00 0.00 C ATOM 1862 CG ASN A 120 -7.142 -17.571 13.973 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -6.267 -17.806 13.001 1.00 0.00 O flip ATOM 1864 ND2 ASN A 120 -8.004 -18.386 14.302 1.00 0.00 N flip ATOM 0 H ASN A 120 -9.431 -15.136 12.981 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.168 -16.234 14.897 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.313 -15.606 14.143 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.640 -16.381 15.679 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.656 -18.163 15.054 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.067 -19.284 13.822 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.395 -13.698 16.014 1.00 0.00 N ATOM 1872 CA GLY A 121 -9.496 -12.747 17.106 1.00 0.00 C ATOM 1873 C GLY A 121 -8.232 -11.930 17.282 1.00 0.00 C ATOM 1874 O GLY A 121 -7.855 -11.592 18.404 1.00 0.00 O ATOM 0 H GLY A 121 -10.153 -13.651 15.333 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.336 -12.077 16.923 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -9.711 -13.282 18.031 1.00 0.00 H new ATOM 1878 N GLN A 122 -7.574 -11.613 16.171 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.343 -10.833 16.208 1.00 0.00 C ATOM 1880 C GLN A 122 -6.418 -9.652 15.246 1.00 0.00 C ATOM 1881 O GLN A 122 -7.362 -9.533 14.464 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.144 -11.715 15.858 1.00 0.00 C ATOM 1883 CG GLN A 122 -4.731 -12.653 16.981 1.00 0.00 C ATOM 1884 CD GLN A 122 -3.987 -11.941 18.093 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -2.999 -11.247 17.850 1.00 0.00 O ATOM 1886 NE2 GLN A 122 -4.459 -12.108 19.323 1.00 0.00 N ATOM 0 H GLN A 122 -7.873 -11.885 15.234 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.218 -10.447 17.220 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.383 -12.304 14.973 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.298 -11.078 15.598 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.619 -13.133 17.393 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.100 -13.444 16.575 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -5.281 -12.692 19.479 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -4.000 -11.652 20.112 1.00 0.00 H new ATOM 1895 N THR A 123 -5.418 -8.779 15.310 1.00 0.00 N ATOM 1896 CA THR A 123 -5.371 -7.606 14.446 1.00 0.00 C ATOM 1897 C THR A 123 -3.951 -7.336 13.961 1.00 0.00 C ATOM 1898 O THR A 123 -3.051 -7.077 14.761 1.00 0.00 O ATOM 1899 CB THR A 123 -5.901 -6.354 15.169 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.169 -6.636 15.772 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.042 -5.188 14.202 1.00 0.00 C ATOM 0 H THR A 123 -4.629 -8.862 15.951 1.00 0.00 H new ATOM 0 HA THR A 123 -6.010 -7.819 13.589 1.00 0.00 H new ATOM 0 HB THR A 123 -5.184 -6.079 15.943 1.00 0.00 H new ATOM 0 HG1 THR A 123 -7.498 -5.835 16.231 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.418 -4.316 14.736 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.070 -4.956 13.767 1.00 0.00 H new ATOM 0 HG23 THR A 123 -6.740 -5.456 13.408 1.00 0.00 H new ATOM 1909 N TYR A 124 -3.757 -7.398 12.649 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.445 -7.162 12.058 1.00 0.00 C ATOM 1911 C TYR A 124 -2.418 -5.837 11.302 1.00 0.00 C ATOM 1912 O TYR A 124 -3.272 -5.576 10.454 1.00 0.00 O ATOM 1913 CB TYR A 124 -2.073 -8.307 11.115 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.215 -9.677 11.741 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.282 -10.144 12.658 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -3.284 -10.503 11.415 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -1.408 -11.394 13.231 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.418 -11.755 11.984 1.00 0.00 C ATOM 1919 CZ TYR A 124 -2.477 -12.196 12.891 1.00 0.00 C ATOM 1920 OH TYR A 124 -2.607 -13.442 13.461 1.00 0.00 O ATOM 0 H TYR A 124 -4.492 -7.610 11.974 1.00 0.00 H new ATOM 0 HA TYR A 124 -1.715 -7.114 12.866 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.704 -8.255 10.227 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -1.043 -8.173 10.783 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -0.444 -9.519 12.927 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -4.022 -10.161 10.705 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -0.673 -11.742 13.942 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -4.255 -12.385 11.720 1.00 0.00 H new ATOM 0 HH TYR A 124 -3.414 -13.877 13.115 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.432 -5.004 11.616 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.292 -3.706 10.966 1.00 0.00 C ATOM 1932 C TRP A 125 -0.062 -3.677 10.066 1.00 0.00 C ATOM 1933 O TRP A 125 1.064 -3.846 10.534 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.200 -2.596 12.014 1.00 0.00 C ATOM 1935 CG TRP A 125 -2.487 -2.359 12.743 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -2.778 -2.715 14.029 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -3.658 -1.715 12.229 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -4.059 -2.331 14.345 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -4.620 -1.714 13.258 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -3.986 -1.136 11.000 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -5.886 -1.160 13.092 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.243 -0.587 10.837 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.181 -0.601 11.879 1.00 0.00 C ATOM 0 H TRP A 125 -0.718 -5.204 12.316 1.00 0.00 H new ATOM 0 HA TRP A 125 -2.174 -3.540 10.348 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -0.424 -2.851 12.736 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -0.891 -1.671 11.527 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -2.101 -3.224 14.699 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -4.518 -2.481 15.243 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.269 -1.118 10.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -6.610 -1.171 13.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.508 -0.139 9.891 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.155 -0.162 11.721 1.00 0.00 H new ATOM 1954 N ASP A 126 -0.284 -3.462 8.774 1.00 0.00 N ATOM 1955 CA ASP A 126 0.808 -3.410 7.809 1.00 0.00 C ATOM 1956 C ASP A 126 0.832 -2.066 7.088 1.00 0.00 C ATOM 1957 O ASP A 126 0.009 -1.807 6.210 1.00 0.00 O ATOM 1958 CB ASP A 126 0.675 -4.545 6.794 1.00 0.00 C ATOM 1959 CG ASP A 126 1.980 -4.843 6.082 1.00 0.00 C ATOM 1960 OD1 ASP A 126 3.005 -5.018 6.773 1.00 0.00 O ATOM 1961 OD2 ASP A 126 1.977 -4.899 4.835 1.00 0.00 O ATOM 0 H ASP A 126 -1.210 -3.321 8.371 1.00 0.00 H new ATOM 0 HA ASP A 126 1.746 -3.528 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.329 -5.445 7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.085 -4.283 6.058 1.00 0.00 H new ATOM 1966 N SER A 127 1.779 -1.214 7.465 1.00 0.00 N ATOM 1967 CA SER A 127 1.907 0.106 6.857 1.00 0.00 C ATOM 1968 C SER A 127 3.356 0.389 6.472 1.00 0.00 C ATOM 1969 O SER A 127 4.215 0.569 7.334 1.00 0.00 O ATOM 1970 CB SER A 127 1.403 1.184 7.819 1.00 0.00 C ATOM 1971 OG SER A 127 1.421 2.462 7.206 1.00 0.00 O ATOM 0 H SER A 127 2.469 -1.414 8.189 1.00 0.00 H new ATOM 0 HA SER A 127 1.299 0.123 5.952 1.00 0.00 H new ATOM 0 HB2 SER A 127 0.389 0.945 8.139 1.00 0.00 H new ATOM 0 HB3 SER A 127 2.025 1.197 8.714 1.00 0.00 H new ATOM 0 HG SER A 127 0.687 2.525 6.560 1.00 0.00 H new ATOM 1977 N ASN A 128 3.619 0.425 5.170 1.00 0.00 N ATOM 1978 CA ASN A 128 4.964 0.686 4.669 1.00 0.00 C ATOM 1979 C ASN A 128 6.014 0.038 5.567 1.00 0.00 C ATOM 1980 O ASN A 128 7.141 0.522 5.670 1.00 0.00 O ATOM 1981 CB ASN A 128 5.214 2.192 4.577 1.00 0.00 C ATOM 1982 CG ASN A 128 5.907 2.739 5.810 1.00 0.00 C ATOM 1983 OD1 ASN A 128 5.195 2.755 6.931 1.00 0.00 O flip ATOM 1984 ND2 ASN A 128 7.069 3.142 5.755 1.00 0.00 N flip ATOM 0 H ASN A 128 2.919 0.277 4.443 1.00 0.00 H new ATOM 0 HA ASN A 128 5.045 0.250 3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 128 5.822 2.404 3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 128 4.264 2.708 4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 128 7.578 3.111 4.872 1.00 0.00 H new ATOM 0 HD22 ASN A 128 7.522 3.507 6.593 1.00 0.00 H new ATOM 1991 N ARG A 129 5.635 -1.059 6.214 1.00 0.00 N ATOM 1992 CA ARG A 129 6.544 -1.773 7.103 1.00 0.00 C ATOM 1993 C ARG A 129 7.552 -0.816 7.732 1.00 0.00 C ATOM 1994 O ARG A 129 8.739 -1.124 7.828 1.00 0.00 O ATOM 1995 CB ARG A 129 7.278 -2.876 6.339 1.00 0.00 C ATOM 1996 CG ARG A 129 7.567 -2.523 4.889 1.00 0.00 C ATOM 1997 CD ARG A 129 8.898 -1.802 4.745 1.00 0.00 C ATOM 1998 NE ARG A 129 9.303 -1.675 3.348 1.00 0.00 N ATOM 1999 CZ ARG A 129 10.561 -1.497 2.961 1.00 0.00 C ATOM 2000 NH1 ARG A 129 11.532 -1.426 3.861 1.00 0.00 N ATOM 2001 NH2 ARG A 129 10.851 -1.389 1.670 1.00 0.00 N ATOM 0 H ARG A 129 4.706 -1.473 6.140 1.00 0.00 H new ATOM 0 HA ARG A 129 5.953 -2.225 7.899 1.00 0.00 H new ATOM 0 HB2 ARG A 129 8.218 -3.093 6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 129 6.681 -3.787 6.370 1.00 0.00 H new ATOM 0 HG2 ARG A 129 7.578 -3.432 4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 129 6.767 -1.893 4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 129 8.824 -0.811 5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 129 9.666 -2.344 5.297 1.00 0.00 H new ATOM 0 HE ARG A 129 8.580 -1.726 2.630 1.00 0.00 H new ATOM 0 HH11 ARG A 129 11.314 -1.508 4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 129 12.497 -1.289 3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 129 10.107 -1.443 0.974 1.00 0.00 H new ATOM 0 HH22 ARG A 129 11.818 -1.252 1.374 1.00 0.00 H new ATOM 2015 N GLY A 130 7.070 0.347 8.160 1.00 0.00 N ATOM 2016 CA GLY A 130 7.942 1.331 8.773 1.00 0.00 C ATOM 2017 C GLY A 130 7.174 2.385 9.546 1.00 0.00 C ATOM 2018 O GLY A 130 6.773 2.159 10.688 1.00 0.00 O ATOM 0 H GLY A 130 6.091 0.625 8.093 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.638 0.827 9.444 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.539 1.815 8.000 1.00 0.00 H new ATOM 2022 N LYS A 131 6.970 3.541 8.925 1.00 0.00 N ATOM 2023 CA LYS A 131 6.246 4.635 9.561 1.00 0.00 C ATOM 2024 C LYS A 131 4.850 4.784 8.962 1.00 0.00 C ATOM 2025 O LYS A 131 3.847 4.630 9.658 1.00 0.00 O ATOM 2026 CB LYS A 131 7.021 5.945 9.406 1.00 0.00 C ATOM 2027 CG LYS A 131 8.393 5.920 10.057 1.00 0.00 C ATOM 2028 CD LYS A 131 8.816 7.304 10.521 1.00 0.00 C ATOM 2029 CE LYS A 131 10.183 7.275 11.187 1.00 0.00 C ATOM 2030 NZ LYS A 131 11.258 6.892 10.229 1.00 0.00 N ATOM 0 H LYS A 131 7.296 3.745 7.980 1.00 0.00 H new ATOM 0 HA LYS A 131 6.145 4.403 10.621 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.135 6.166 8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.437 6.757 9.840 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.381 5.238 10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.126 5.533 9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 131 8.840 7.983 9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 131 8.078 7.696 11.220 1.00 0.00 H new ATOM 0 HE2 LYS A 131 10.403 8.256 11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.168 6.569 12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 12.187 7.062 10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 11.167 5.884 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 11.171 7.462 9.364 1.00 0.00 H new ATOM 2044 N ASN A 132 4.795 5.083 7.669 1.00 0.00 N ATOM 2045 CA ASN A 132 3.522 5.252 6.977 1.00 0.00 C ATOM 2046 C ASN A 132 3.713 5.189 5.465 1.00 0.00 C ATOM 2047 O ASN A 132 4.723 5.652 4.935 1.00 0.00 O ATOM 2048 CB ASN A 132 2.880 6.585 7.366 1.00 0.00 C ATOM 2049 CG ASN A 132 2.937 6.841 8.860 1.00 0.00 C ATOM 2050 OD1 ASN A 132 3.979 7.214 9.397 1.00 0.00 O ATOM 2051 ND2 ASN A 132 1.813 6.640 9.537 1.00 0.00 N ATOM 0 H ASN A 132 5.617 5.213 7.079 1.00 0.00 H new ATOM 0 HA ASN A 132 2.863 4.437 7.277 1.00 0.00 H new ATOM 0 HB2 ASN A 132 3.386 7.396 6.842 1.00 0.00 H new ATOM 0 HB3 ASN A 132 1.841 6.594 7.038 1.00 0.00 H new ATOM 0 HD21 ASN A 132 1.790 6.795 10.545 1.00 0.00 H new ATOM 0 HD22 ASN A 132 0.972 6.330 9.049 1.00 0.00 H new ATOM 2058 N TYR A 133 2.735 4.612 4.775 1.00 0.00 N ATOM 2059 CA TYR A 133 2.795 4.486 3.323 1.00 0.00 C ATOM 2060 C TYR A 133 2.808 5.859 2.657 1.00 0.00 C ATOM 2061 O TYR A 133 1.778 6.342 2.187 1.00 0.00 O ATOM 2062 CB TYR A 133 1.606 3.670 2.812 1.00 0.00 C ATOM 2063 CG TYR A 133 1.899 2.193 2.678 1.00 0.00 C ATOM 2064 CD1 TYR A 133 3.073 1.749 2.081 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.002 1.241 3.147 1.00 0.00 C ATOM 2066 CE1 TYR A 133 3.344 0.400 1.956 1.00 0.00 C ATOM 2067 CE2 TYR A 133 1.266 -0.110 3.027 1.00 0.00 C ATOM 2068 CZ TYR A 133 2.438 -0.525 2.431 1.00 0.00 C ATOM 2069 OH TYR A 133 2.704 -1.870 2.308 1.00 0.00 O ATOM 0 H TYR A 133 1.891 4.224 5.198 1.00 0.00 H new ATOM 0 HA TYR A 133 3.720 3.969 3.066 1.00 0.00 H new ATOM 0 HB2 TYR A 133 0.765 3.805 3.492 1.00 0.00 H new ATOM 0 HB3 TYR A 133 1.298 4.060 1.842 1.00 0.00 H new ATOM 0 HD1 TYR A 133 3.785 2.470 1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 133 0.083 1.563 3.613 1.00 0.00 H new ATOM 0 HE1 TYR A 133 4.261 0.072 1.489 1.00 0.00 H new ATOM 0 HE2 TYR A 133 0.558 -0.837 3.398 1.00 0.00 H new ATOM 0 HH TYR A 133 1.966 -2.386 2.694 1.00 0.00 H new ATOM 2079 N ARG A 134 3.982 6.480 2.621 1.00 0.00 N ATOM 2080 CA ARG A 134 4.131 7.797 2.014 1.00 0.00 C ATOM 2081 C ARG A 134 3.830 7.743 0.519 1.00 0.00 C ATOM 2082 O ARG A 134 4.455 6.985 -0.223 1.00 0.00 O ATOM 2083 CB ARG A 134 5.547 8.330 2.241 1.00 0.00 C ATOM 2084 CG ARG A 134 5.747 9.755 1.750 1.00 0.00 C ATOM 2085 CD ARG A 134 7.209 10.167 1.820 1.00 0.00 C ATOM 2086 NE ARG A 134 7.606 10.554 3.171 1.00 0.00 N ATOM 2087 CZ ARG A 134 8.000 9.688 4.097 1.00 0.00 C ATOM 2088 NH1 ARG A 134 8.052 8.392 3.820 1.00 0.00 N ATOM 2089 NH2 ARG A 134 8.345 10.117 5.305 1.00 0.00 N ATOM 0 H ARG A 134 4.844 6.092 3.005 1.00 0.00 H new ATOM 0 HA ARG A 134 3.417 8.471 2.487 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.776 8.286 3.306 1.00 0.00 H new ATOM 0 HB3 ARG A 134 6.258 7.677 1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 134 5.392 9.840 0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 134 5.146 10.436 2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 134 7.835 9.341 1.481 1.00 0.00 H new ATOM 0 HD3 ARG A 134 7.384 11.000 1.139 1.00 0.00 H new ATOM 0 HE ARG A 134 7.579 11.544 3.417 1.00 0.00 H new ATOM 0 HH11 ARG A 134 7.789 8.058 2.893 1.00 0.00 H new ATOM 0 HH12 ARG A 134 8.355 7.730 4.534 1.00 0.00 H new ATOM 0 HH21 ARG A 134 8.308 11.113 5.523 1.00 0.00 H new ATOM 0 HH22 ARG A 134 8.648 9.451 6.016 1.00 0.00 H new ATOM 2103 N ILE A 135 2.870 8.552 0.084 1.00 0.00 N ATOM 2104 CA ILE A 135 2.487 8.597 -1.322 1.00 0.00 C ATOM 2105 C ILE A 135 2.762 9.971 -1.923 1.00 0.00 C ATOM 2106 O ILE A 135 2.007 10.918 -1.702 1.00 0.00 O ATOM 2107 CB ILE A 135 0.997 8.255 -1.511 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.715 6.827 -1.038 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.596 8.425 -2.968 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -0.749 6.452 -1.089 1.00 0.00 C ATOM 0 H ILE A 135 2.343 9.185 0.685 1.00 0.00 H new ATOM 0 HA ILE A 135 3.091 7.850 -1.838 1.00 0.00 H new ATOM 0 HB ILE A 135 0.402 8.941 -0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.282 6.130 -1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.075 6.714 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.459 8.180 -3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.765 9.457 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.195 7.760 -3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -0.874 5.427 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.320 7.126 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.110 6.533 -2.114 1.00 0.00 H new ATOM 2122 N ILE A 136 3.846 10.071 -2.685 1.00 0.00 N ATOM 2123 CA ILE A 136 4.219 11.328 -3.321 1.00 0.00 C ATOM 2124 C ILE A 136 3.704 11.393 -4.754 1.00 0.00 C ATOM 2125 O ILE A 136 3.074 10.455 -5.241 1.00 0.00 O ATOM 2126 CB ILE A 136 5.746 11.525 -3.326 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.419 10.443 -4.173 1.00 0.00 C ATOM 2128 CG2 ILE A 136 6.288 11.506 -1.905 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.804 10.821 -4.648 1.00 0.00 C ATOM 0 H ILE A 136 4.481 9.296 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 136 3.760 12.126 -2.737 1.00 0.00 H new ATOM 0 HB ILE A 136 5.970 12.497 -3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.482 9.524 -3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.793 10.229 -5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 136 7.369 11.646 -1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 136 5.829 12.310 -1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 136 6.056 10.548 -1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.220 10.007 -5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 136 7.746 11.723 -5.258 1.00 0.00 H new ATOM 0 HD13 ILE A 136 8.446 11.006 -3.787 1.00 0.00 H new ATOM 2141 N ARG A 137 3.978 12.507 -5.426 1.00 0.00 N ATOM 2142 CA ARG A 137 3.543 12.694 -6.805 1.00 0.00 C ATOM 2143 C ARG A 137 4.483 11.982 -7.773 1.00 0.00 C ATOM 2144 O ARG A 137 5.578 11.565 -7.397 1.00 0.00 O ATOM 2145 CB ARG A 137 3.478 14.185 -7.143 1.00 0.00 C ATOM 2146 CG ARG A 137 2.419 14.529 -8.177 1.00 0.00 C ATOM 2147 CD ARG A 137 1.907 15.950 -7.999 1.00 0.00 C ATOM 2148 NE ARG A 137 0.799 16.249 -8.902 1.00 0.00 N ATOM 2149 CZ ARG A 137 -0.032 17.272 -8.731 1.00 0.00 C ATOM 2150 NH1 ARG A 137 0.120 18.088 -7.698 1.00 0.00 N ATOM 2151 NH2 ARG A 137 -1.017 17.479 -9.596 1.00 0.00 N ATOM 0 H ARG A 137 4.499 13.293 -5.038 1.00 0.00 H new ATOM 0 HA ARG A 137 2.548 12.261 -6.908 1.00 0.00 H new ATOM 0 HB2 ARG A 137 3.279 14.747 -6.231 1.00 0.00 H new ATOM 0 HB3 ARG A 137 4.452 14.508 -7.511 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.835 14.414 -9.178 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.588 13.829 -8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 137 1.583 16.092 -6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 137 2.720 16.653 -8.177 1.00 0.00 H new ATOM 0 HE ARG A 137 0.655 15.640 -9.707 1.00 0.00 H new ATOM 0 HH11 ARG A 137 0.876 17.932 -7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -0.519 18.872 -7.569 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -1.136 16.853 -10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -1.655 18.264 -9.464 1.00 0.00 H new ATOM 2165 N ALA A 138 4.047 11.847 -9.021 1.00 0.00 N ATOM 2166 CA ALA A 138 4.850 11.187 -10.043 1.00 0.00 C ATOM 2167 C ALA A 138 6.024 12.062 -10.469 1.00 0.00 C ATOM 2168 O ALA A 138 7.119 11.564 -10.726 1.00 0.00 O ATOM 2169 CB ALA A 138 3.988 10.835 -11.246 1.00 0.00 C ATOM 0 H ALA A 138 3.142 12.186 -9.349 1.00 0.00 H new ATOM 0 HA ALA A 138 5.252 10.268 -9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 138 4.601 10.343 -12.001 1.00 0.00 H new ATOM 0 HB2 ALA A 138 3.187 10.165 -10.936 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.558 11.745 -11.664 1.00 0.00 H new ATOM 2175 N GLU A 139 5.786 13.368 -10.543 1.00 0.00 N ATOM 2176 CA GLU A 139 6.825 14.312 -10.939 1.00 0.00 C ATOM 2177 C GLU A 139 8.084 14.120 -10.099 1.00 0.00 C ATOM 2178 O GLU A 139 9.195 14.405 -10.549 1.00 0.00 O ATOM 2179 CB GLU A 139 6.319 15.749 -10.800 1.00 0.00 C ATOM 2180 CG GLU A 139 5.479 15.981 -9.556 1.00 0.00 C ATOM 2181 CD GLU A 139 5.538 17.417 -9.071 1.00 0.00 C ATOM 2182 OE1 GLU A 139 6.405 18.173 -9.558 1.00 0.00 O ATOM 2183 OE2 GLU A 139 4.717 17.784 -8.205 1.00 0.00 O ATOM 0 H GLU A 139 4.884 13.796 -10.334 1.00 0.00 H new ATOM 0 HA GLU A 139 7.074 14.122 -11.983 1.00 0.00 H new ATOM 0 HB2 GLU A 139 7.173 16.426 -10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 139 5.728 16.004 -11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 139 4.443 15.715 -9.767 1.00 0.00 H new ATOM 0 HG3 GLU A 139 5.823 15.319 -8.761 1.00 0.00 H new