USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=34 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 122 GLN : amide:sc= 0.217 K(o=0.46,f=-0.043) USER MOD Set 1.2: A 124 TYR OH : rot 42:sc= 0.245 USER MOD Set 2.1: A 117 TYR OH : rot -91:sc= 0.216 USER MOD Set 2.2: A 119 CYS SG : rot -74:sc= -2.55! USER MOD Set 2.3: A 120 ASN :FLIP amide:sc= -1.72 F(o=-6.3!,f=-4.1) USER MOD Set 3.1: A 53 LYS NZ :NH3+ -168:sc= 0.0835 (180deg=0) USER MOD Set 3.2: A 94 THR OG1 : rot 180:sc= -0.274 USER MOD Set 4.1: A 40 ASN : amide:sc= 0.16 X(o=0.35,f=-0.12) USER MOD Set 4.2: A 51 THR OG1 : rot -86:sc= 0.186 USER MOD Single : A 12 SER OG : rot 35:sc= 0.0721 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0353 X(o=-0.035,f=-0.035) 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= -1.26 F(o=-3.3!,f=-1.3) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -4.28! C(o=-4.3!,f=-5!) USER MOD Single : A 37 CYS SG : rot -120:sc= 0.475 USER MOD Single : A 41 CYS SG : rot 180:sc= -0.356 USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= -0.0489 (180deg=-0.32) USER MOD Single : A 46 LYS NZ :NH3+ -132:sc= -0.0248 (180deg=-0.868) USER MOD Single : A 55 GLN : amide:sc= -0.0131 K(o=-0.013,f=-1.9) USER MOD Single : A 56 ASN : amide:sc= -0.952! C(o=-0.95!,f=-2.2!) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 0.173 (180deg=0.1) 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 -123:sc= -1.38 (180deg=-4.05!) USER MOD Single : A 68 THR OG1 : rot 46:sc= 0.0518 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 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -164:sc= -3.11 USER MOD Single : A 81 GLN : amide:sc= 0.189 X(o=0.19,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.048 USER MOD Single : A 100 SER OG : rot 37:sc= 0.43 USER MOD Single : A 111 MET CE :methyl 133:sc= -0.859 (180deg=-2.62!) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.304 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 10:sc= 1.12 USER MOD Single : A 128 ASN : amide:sc= -8.1! C(o=-8.1!,f=-8.1!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN :FLIP amide:sc= -1.54 F(o=-2.1,f=-1.5) USER MOD Single : A 133 TYR OH : rot 165:sc= -1.36 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 0.160 12.615 -13.103 1.00 0.00 N ATOM 118 CA SER A 12 -0.160 11.485 -12.238 1.00 0.00 C ATOM 119 C SER A 12 0.715 11.493 -10.988 1.00 0.00 C ATOM 120 O SER A 12 1.527 12.397 -10.790 1.00 0.00 O ATOM 121 CB SER A 12 0.024 10.169 -12.995 1.00 0.00 C ATOM 122 OG SER A 12 -0.786 10.131 -14.157 1.00 0.00 O ATOM 0 HA SER A 12 -1.202 11.577 -11.931 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.071 10.050 -13.274 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.230 9.333 -12.344 1.00 0.00 H new ATOM 0 HG SER A 12 -0.843 11.029 -14.546 1.00 0.00 H new ATOM 128 N PHE A 13 0.544 10.479 -10.147 1.00 0.00 N ATOM 129 CA PHE A 13 1.316 10.368 -8.915 1.00 0.00 C ATOM 130 C PHE A 13 2.161 9.097 -8.916 1.00 0.00 C ATOM 131 O PHE A 13 1.977 8.216 -9.756 1.00 0.00 O ATOM 132 CB PHE A 13 0.384 10.373 -7.702 1.00 0.00 C ATOM 133 CG PHE A 13 -0.263 11.705 -7.450 1.00 0.00 C ATOM 134 CD1 PHE A 13 -1.224 12.198 -8.318 1.00 0.00 C ATOM 135 CD2 PHE A 13 0.088 12.463 -6.344 1.00 0.00 C ATOM 136 CE1 PHE A 13 -1.820 13.424 -8.089 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.506 13.689 -6.109 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.462 14.169 -6.983 1.00 0.00 C ATOM 0 H PHE A 13 -0.123 9.722 -10.296 1.00 0.00 H new ATOM 0 HA PHE A 13 1.984 11.228 -8.855 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.393 9.622 -7.847 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.950 10.079 -6.818 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.510 11.618 -9.183 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.834 12.091 -5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.565 13.799 -8.775 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.223 14.270 -5.244 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.929 15.126 -6.801 1.00 0.00 H new ATOM 148 N VAL A 14 3.089 9.010 -7.968 1.00 0.00 N ATOM 149 CA VAL A 14 3.963 7.848 -7.857 1.00 0.00 C ATOM 150 C VAL A 14 4.106 7.404 -6.406 1.00 0.00 C ATOM 151 O VAL A 14 3.561 8.031 -5.497 1.00 0.00 O ATOM 152 CB VAL A 14 5.361 8.140 -8.434 1.00 0.00 C ATOM 153 CG1 VAL A 14 5.270 8.466 -9.917 1.00 0.00 C ATOM 154 CG2 VAL A 14 6.025 9.276 -7.670 1.00 0.00 C ATOM 0 H VAL A 14 3.255 9.731 -7.266 1.00 0.00 H new ATOM 0 HA VAL A 14 3.500 7.048 -8.434 1.00 0.00 H new ATOM 0 HB VAL A 14 5.976 7.247 -8.320 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.267 8.669 -10.307 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.838 7.619 -10.450 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.639 9.344 -10.059 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.012 9.469 -8.091 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.414 10.175 -7.751 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.126 8.999 -6.621 1.00 0.00 H new ATOM 164 N LEU A 15 4.843 6.319 -6.195 1.00 0.00 N ATOM 165 CA LEU A 15 5.059 5.790 -4.853 1.00 0.00 C ATOM 166 C LEU A 15 6.480 6.076 -4.377 1.00 0.00 C ATOM 167 O LEU A 15 7.450 5.777 -5.074 1.00 0.00 O ATOM 168 CB LEU A 15 4.794 4.284 -4.828 1.00 0.00 C ATOM 169 CG LEU A 15 3.439 3.832 -5.373 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.532 2.422 -5.934 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.375 3.907 -4.287 1.00 0.00 C ATOM 0 H LEU A 15 5.301 5.788 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 15 4.362 6.286 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.577 3.788 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.883 3.937 -3.799 1.00 0.00 H new ATOM 0 HG LEU A 15 3.152 4.504 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.558 2.118 -6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.263 2.399 -6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.842 1.736 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.417 3.582 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.656 3.259 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.289 4.934 -3.932 1.00 0.00 H new ATOM 183 N ASP A 16 6.595 6.654 -3.187 1.00 0.00 N ATOM 184 CA ASP A 16 7.898 6.977 -2.616 1.00 0.00 C ATOM 185 C ASP A 16 8.474 5.780 -1.865 1.00 0.00 C ATOM 186 O ASP A 16 9.163 5.940 -0.858 1.00 0.00 O ATOM 187 CB ASP A 16 7.783 8.178 -1.677 1.00 0.00 C ATOM 188 CG ASP A 16 9.059 8.995 -1.623 1.00 0.00 C ATOM 189 OD1 ASP A 16 9.734 9.108 -2.667 1.00 0.00 O ATOM 190 OD2 ASP A 16 9.382 9.521 -0.537 1.00 0.00 O ATOM 0 H ASP A 16 5.802 6.909 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 16 8.574 7.229 -3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.961 8.814 -2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.536 7.829 -0.674 1.00 0.00 H new ATOM 195 N PHE A 17 8.185 4.582 -2.361 1.00 0.00 N ATOM 196 CA PHE A 17 8.673 3.358 -1.736 1.00 0.00 C ATOM 197 C PHE A 17 8.849 2.251 -2.771 1.00 0.00 C ATOM 198 O PHE A 17 8.114 2.186 -3.757 1.00 0.00 O ATOM 199 CB PHE A 17 7.706 2.899 -0.642 1.00 0.00 C ATOM 200 CG PHE A 17 6.293 2.733 -1.122 1.00 0.00 C ATOM 201 CD1 PHE A 17 5.872 1.535 -1.677 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.385 3.775 -1.018 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.572 1.379 -2.119 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.083 3.624 -1.458 1.00 0.00 C ATOM 205 CZ PHE A 17 3.677 2.425 -2.010 1.00 0.00 C ATOM 0 H PHE A 17 7.615 4.432 -3.194 1.00 0.00 H new ATOM 0 HA PHE A 17 9.644 3.570 -1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.056 1.951 -0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.722 3.623 0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.568 0.714 -1.765 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.698 4.715 -0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.256 0.440 -2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.384 4.443 -1.370 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.661 2.306 -2.356 1.00 0.00 H new ATOM 215 N SER A 18 9.828 1.382 -2.540 1.00 0.00 N ATOM 216 CA SER A 18 10.104 0.280 -3.454 1.00 0.00 C ATOM 217 C SER A 18 9.149 -0.883 -3.206 1.00 0.00 C ATOM 218 O SER A 18 8.844 -1.217 -2.062 1.00 0.00 O ATOM 219 CB SER A 18 11.551 -0.191 -3.295 1.00 0.00 C ATOM 220 OG SER A 18 11.811 -0.602 -1.964 1.00 0.00 O ATOM 0 H SER A 18 10.443 1.420 -1.727 1.00 0.00 H new ATOM 0 HA SER A 18 9.955 0.639 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.745 -1.018 -3.978 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.231 0.615 -3.569 1.00 0.00 H new ATOM 0 HG SER A 18 12.742 -0.900 -1.889 1.00 0.00 H new ATOM 226 N GLN A 19 8.680 -1.496 -4.289 1.00 0.00 N ATOM 227 CA GLN A 19 7.759 -2.622 -4.190 1.00 0.00 C ATOM 228 C GLN A 19 8.290 -3.677 -3.225 1.00 0.00 C ATOM 229 O GLN A 19 9.456 -4.068 -3.276 1.00 0.00 O ATOM 230 CB GLN A 19 7.529 -3.243 -5.569 1.00 0.00 C ATOM 231 CG GLN A 19 7.288 -2.218 -6.665 1.00 0.00 C ATOM 232 CD GLN A 19 6.252 -1.181 -6.277 1.00 0.00 C ATOM 233 OE1 GLN A 19 6.561 0.004 -6.148 1.00 0.00 O ATOM 234 NE2 GLN A 19 5.014 -1.623 -6.090 1.00 0.00 N ATOM 0 H GLN A 19 8.923 -1.232 -5.244 1.00 0.00 H new ATOM 0 HA GLN A 19 6.810 -2.250 -3.805 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.395 -3.849 -5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.673 -3.915 -5.517 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.227 -1.717 -6.902 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.963 -2.730 -7.571 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.803 -2.614 -6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.274 -0.972 -5.829 1.00 0.00 H new ATOM 243 N PRO A 20 7.416 -4.150 -2.325 1.00 0.00 N ATOM 244 CA PRO A 20 7.775 -5.167 -1.332 1.00 0.00 C ATOM 245 C PRO A 20 8.015 -6.534 -1.963 1.00 0.00 C ATOM 246 O PRO A 20 9.024 -7.185 -1.693 1.00 0.00 O ATOM 247 CB PRO A 20 6.553 -5.210 -0.410 1.00 0.00 C ATOM 248 CG PRO A 20 5.423 -4.737 -1.258 1.00 0.00 C ATOM 249 CD PRO A 20 6.010 -3.729 -2.207 1.00 0.00 C ATOM 0 HA PRO A 20 8.705 -4.924 -0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.373 -6.218 -0.037 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.691 -4.568 0.460 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.969 -5.566 -1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.639 -4.288 -0.648 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.504 -3.744 -3.172 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.926 -2.714 -1.818 1.00 0.00 H new ATOM 257 N SER A 21 7.080 -6.964 -2.804 1.00 0.00 N ATOM 258 CA SER A 21 7.189 -8.257 -3.471 1.00 0.00 C ATOM 259 C SER A 21 8.618 -8.506 -3.944 1.00 0.00 C ATOM 260 O SER A 21 9.078 -9.646 -3.991 1.00 0.00 O ATOM 261 CB SER A 21 6.227 -8.323 -4.660 1.00 0.00 C ATOM 262 OG SER A 21 6.785 -7.698 -5.803 1.00 0.00 O ATOM 0 H SER A 21 6.239 -6.437 -3.040 1.00 0.00 H new ATOM 0 HA SER A 21 6.923 -9.033 -2.753 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.996 -9.364 -4.887 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.287 -7.837 -4.399 1.00 0.00 H new ATOM 0 HG SER A 21 6.152 -7.755 -6.549 1.00 0.00 H new ATOM 268 N ALA A 22 9.315 -7.430 -4.294 1.00 0.00 N ATOM 269 CA ALA A 22 10.691 -7.530 -4.761 1.00 0.00 C ATOM 270 C ALA A 22 11.496 -8.494 -3.897 1.00 0.00 C ATOM 271 O ALA A 22 12.291 -9.284 -4.406 1.00 0.00 O ATOM 272 CB ALA A 22 11.346 -6.156 -4.773 1.00 0.00 C ATOM 0 H ALA A 22 8.948 -6.479 -4.263 1.00 0.00 H new ATOM 0 HA ALA A 22 10.675 -7.922 -5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.374 -6.246 -5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.792 -5.495 -5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.342 -5.742 -3.765 1.00 0.00 H new ATOM 278 N ASP A 23 11.284 -8.425 -2.587 1.00 0.00 N ATOM 279 CA ASP A 23 11.990 -9.292 -1.651 1.00 0.00 C ATOM 280 C ASP A 23 11.060 -10.370 -1.102 1.00 0.00 C ATOM 281 O ASP A 23 10.373 -10.160 -0.102 1.00 0.00 O ATOM 282 CB ASP A 23 12.574 -8.470 -0.501 1.00 0.00 C ATOM 283 CG ASP A 23 13.619 -7.478 -0.971 1.00 0.00 C ATOM 284 OD1 ASP A 23 14.263 -7.740 -2.008 1.00 0.00 O ATOM 285 OD2 ASP A 23 13.792 -6.438 -0.302 1.00 0.00 O ATOM 0 H ASP A 23 10.629 -7.777 -2.149 1.00 0.00 H new ATOM 0 HA ASP A 23 12.804 -9.779 -2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.770 -7.934 0.004 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.019 -9.142 0.233 1.00 0.00 H new ATOM 290 N TYR A 24 11.042 -11.522 -1.763 1.00 0.00 N ATOM 291 CA TYR A 24 10.193 -12.631 -1.344 1.00 0.00 C ATOM 292 C TYR A 24 10.395 -12.941 0.136 1.00 0.00 C ATOM 293 O TYR A 24 9.434 -13.174 0.870 1.00 0.00 O ATOM 294 CB TYR A 24 10.492 -13.874 -2.183 1.00 0.00 C ATOM 295 CG TYR A 24 9.444 -14.956 -2.056 1.00 0.00 C ATOM 296 CD1 TYR A 24 8.202 -14.822 -2.667 1.00 0.00 C ATOM 297 CD2 TYR A 24 9.693 -16.111 -1.326 1.00 0.00 C ATOM 298 CE1 TYR A 24 7.241 -15.808 -2.554 1.00 0.00 C ATOM 299 CE2 TYR A 24 8.738 -17.102 -1.208 1.00 0.00 C ATOM 300 CZ TYR A 24 7.513 -16.946 -1.824 1.00 0.00 C ATOM 301 OH TYR A 24 6.559 -17.930 -1.708 1.00 0.00 O ATOM 0 H TYR A 24 11.606 -11.712 -2.591 1.00 0.00 H new ATOM 0 HA TYR A 24 9.154 -12.339 -1.497 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.577 -13.583 -3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.459 -14.279 -1.885 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.985 -13.932 -3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.650 -16.237 -0.842 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.281 -15.688 -3.035 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.949 -17.994 -0.637 1.00 0.00 H new ATOM 0 HH TYR A 24 6.911 -18.664 -1.162 1.00 0.00 H new ATOM 311 N LEU A 25 11.651 -12.941 0.568 1.00 0.00 N ATOM 312 CA LEU A 25 11.981 -13.222 1.961 1.00 0.00 C ATOM 313 C LEU A 25 11.536 -12.079 2.867 1.00 0.00 C ATOM 314 O LEU A 25 10.639 -12.243 3.694 1.00 0.00 O ATOM 315 CB LEU A 25 13.486 -13.452 2.113 1.00 0.00 C ATOM 316 CG LEU A 25 13.976 -14.878 1.858 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.306 -15.851 2.815 1.00 0.00 C ATOM 318 CD2 LEU A 25 13.716 -15.282 0.414 1.00 0.00 C ATOM 0 H LEU A 25 12.458 -12.750 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 25 11.450 -14.126 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.007 -12.782 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.777 -13.164 3.123 1.00 0.00 H new ATOM 0 HG LEU A 25 15.051 -14.909 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 25 13.667 -16.861 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.544 -15.574 3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.226 -15.817 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.071 -16.300 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.646 -15.234 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.244 -14.602 -0.255 1.00 0.00 H new ATOM 330 N ASP A 26 12.167 -10.922 2.704 1.00 0.00 N ATOM 331 CA ASP A 26 11.834 -9.749 3.505 1.00 0.00 C ATOM 332 C ASP A 26 10.325 -9.526 3.540 1.00 0.00 C ATOM 333 O ASP A 26 9.804 -8.876 4.446 1.00 0.00 O ATOM 334 CB ASP A 26 12.533 -8.509 2.947 1.00 0.00 C ATOM 335 CG ASP A 26 12.304 -7.280 3.806 1.00 0.00 C ATOM 336 OD1 ASP A 26 12.418 -7.391 5.044 1.00 0.00 O ATOM 337 OD2 ASP A 26 12.011 -6.207 3.239 1.00 0.00 O ATOM 0 H ASP A 26 12.912 -10.771 2.024 1.00 0.00 H new ATOM 0 HA ASP A 26 12.181 -9.924 4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.603 -8.702 2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.172 -8.315 1.937 1.00 0.00 H new ATOM 342 N PHE A 27 9.629 -10.069 2.547 1.00 0.00 N ATOM 343 CA PHE A 27 8.180 -9.927 2.462 1.00 0.00 C ATOM 344 C PHE A 27 7.479 -11.017 3.268 1.00 0.00 C ATOM 345 O PHE A 27 6.764 -10.731 4.228 1.00 0.00 O ATOM 346 CB PHE A 27 7.725 -9.984 1.003 1.00 0.00 C ATOM 347 CG PHE A 27 6.237 -10.119 0.843 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.635 -11.366 0.867 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.442 -8.998 0.670 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.267 -11.494 0.721 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.073 -9.119 0.524 1.00 0.00 C ATOM 352 CZ PHE A 27 3.485 -10.369 0.548 1.00 0.00 C ATOM 0 H PHE A 27 10.045 -10.611 1.790 1.00 0.00 H new ATOM 0 HA PHE A 27 7.910 -8.958 2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.057 -9.080 0.492 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.213 -10.826 0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.242 -12.249 1.001 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.897 -8.019 0.649 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.810 -12.472 0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.463 -8.237 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.416 -10.466 0.432 1.00 0.00 H new ATOM 362 N ARG A 28 7.690 -12.267 2.870 1.00 0.00 N ATOM 363 CA ARG A 28 7.078 -13.400 3.553 1.00 0.00 C ATOM 364 C ARG A 28 7.240 -13.275 5.065 1.00 0.00 C ATOM 365 O ARG A 28 6.399 -13.746 5.830 1.00 0.00 O ATOM 366 CB ARG A 28 7.699 -14.711 3.069 1.00 0.00 C ATOM 367 CG ARG A 28 8.904 -15.152 3.885 1.00 0.00 C ATOM 368 CD ARG A 28 9.396 -16.525 3.455 1.00 0.00 C ATOM 369 NE ARG A 28 10.236 -17.149 4.474 1.00 0.00 N ATOM 370 CZ ARG A 28 9.753 -17.788 5.534 1.00 0.00 C ATOM 371 NH1 ARG A 28 8.443 -17.887 5.712 1.00 0.00 N ATOM 372 NH2 ARG A 28 10.582 -18.330 6.417 1.00 0.00 N ATOM 0 H ARG A 28 8.280 -12.521 2.078 1.00 0.00 H new ATOM 0 HA ARG A 28 6.014 -13.402 3.318 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.943 -15.495 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.998 -14.599 2.027 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.708 -14.424 3.771 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.641 -15.173 4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.541 -17.168 3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.960 -16.434 2.527 1.00 0.00 H new ATOM 0 HE ARG A 28 11.249 -17.091 4.366 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.803 -17.472 5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.075 -18.378 6.527 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.590 -18.256 6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.211 -18.820 7.231 1.00 0.00 H new ATOM 386 N ASN A 29 8.327 -12.638 5.488 1.00 0.00 N ATOM 387 CA ASN A 29 8.600 -12.453 6.909 1.00 0.00 C ATOM 388 C ASN A 29 7.483 -11.659 7.578 1.00 0.00 C ATOM 389 O ASN A 29 7.034 -12.000 8.673 1.00 0.00 O ATOM 390 CB ASN A 29 9.937 -11.736 7.103 1.00 0.00 C ATOM 391 CG ASN A 29 11.124 -12.649 6.859 1.00 0.00 C ATOM 392 OD1 ASN A 29 11.882 -12.365 5.806 1.00 0.00 O flip ATOM 393 ND2 ASN A 29 11.355 -13.598 7.609 1.00 0.00 N flip ATOM 0 H ASN A 29 9.033 -12.241 4.868 1.00 0.00 H new ATOM 0 HA ASN A 29 8.652 -13.437 7.375 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.991 -10.885 6.424 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.990 -11.339 8.117 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.745 -13.778 8.406 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.156 -14.204 7.433 1.00 0.00 H new ATOM 400 N ARG A 30 7.037 -10.598 6.913 1.00 0.00 N ATOM 401 CA ARG A 30 5.973 -9.755 7.443 1.00 0.00 C ATOM 402 C ARG A 30 4.629 -10.475 7.386 1.00 0.00 C ATOM 403 O ARG A 30 3.784 -10.307 8.267 1.00 0.00 O ATOM 404 CB ARG A 30 5.894 -8.443 6.660 1.00 0.00 C ATOM 405 CG ARG A 30 7.248 -7.802 6.408 1.00 0.00 C ATOM 406 CD ARG A 30 7.921 -7.391 7.709 1.00 0.00 C ATOM 407 NE ARG A 30 7.072 -6.514 8.510 1.00 0.00 N ATOM 408 CZ ARG A 30 7.476 -5.922 9.629 1.00 0.00 C ATOM 409 NH1 ARG A 30 8.710 -6.112 10.075 1.00 0.00 N ATOM 410 NH2 ARG A 30 6.645 -5.137 10.303 1.00 0.00 N ATOM 0 H ARG A 30 7.397 -10.302 6.006 1.00 0.00 H new ATOM 0 HA ARG A 30 6.204 -9.535 8.485 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.406 -8.630 5.703 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.265 -7.741 7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.889 -8.502 5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.125 -6.928 5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.169 -8.282 8.286 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.860 -6.883 7.487 1.00 0.00 H new ATOM 0 HE ARG A 30 6.117 -6.347 8.194 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.352 -6.714 9.559 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.018 -5.656 10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.695 -4.988 9.962 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.956 -4.683 11.162 1.00 0.00 H new ATOM 424 N LEU A 31 4.437 -11.278 6.345 1.00 0.00 N ATOM 425 CA LEU A 31 3.196 -12.024 6.173 1.00 0.00 C ATOM 426 C LEU A 31 3.147 -13.224 7.114 1.00 0.00 C ATOM 427 O LEU A 31 2.105 -13.860 7.269 1.00 0.00 O ATOM 428 CB LEU A 31 3.057 -12.492 4.723 1.00 0.00 C ATOM 429 CG LEU A 31 1.731 -13.162 4.359 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.660 -12.116 4.094 1.00 0.00 C ATOM 431 CD2 LEU A 31 1.906 -14.067 3.148 1.00 0.00 C ATOM 0 H LEU A 31 5.125 -11.429 5.607 1.00 0.00 H new ATOM 0 HA LEU A 31 2.365 -11.361 6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.198 -11.631 4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.865 -13.191 4.509 1.00 0.00 H new ATOM 0 HG LEU A 31 1.411 -13.774 5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.276 -12.611 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.516 -11.509 4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.972 -11.477 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.953 -14.535 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.249 -13.476 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.642 -14.839 3.374 1.00 0.00 H new ATOM 443 N GLN A 32 4.280 -13.525 7.740 1.00 0.00 N ATOM 444 CA GLN A 32 4.364 -14.647 8.667 1.00 0.00 C ATOM 445 C GLN A 32 4.337 -14.163 10.112 1.00 0.00 C ATOM 446 O GLN A 32 3.772 -14.820 10.987 1.00 0.00 O ATOM 447 CB GLN A 32 5.639 -15.453 8.410 1.00 0.00 C ATOM 448 CG GLN A 32 5.783 -16.669 9.312 1.00 0.00 C ATOM 449 CD GLN A 32 5.041 -17.879 8.780 1.00 0.00 C ATOM 450 OE1 GLN A 32 5.415 -18.451 7.756 1.00 0.00 O ATOM 451 NE2 GLN A 32 3.981 -18.277 9.476 1.00 0.00 N ATOM 0 H GLN A 32 5.151 -13.008 7.622 1.00 0.00 H new ATOM 0 HA GLN A 32 3.498 -15.288 8.502 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.649 -15.779 7.370 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.503 -14.804 8.549 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.840 -16.914 9.420 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.409 -16.426 10.306 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.706 -17.773 10.319 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.442 -19.086 9.167 1.00 0.00 H new ATOM 460 N ALA A 33 4.950 -13.010 10.357 1.00 0.00 N ATOM 461 CA ALA A 33 4.995 -12.436 11.696 1.00 0.00 C ATOM 462 C ALA A 33 3.842 -11.462 11.914 1.00 0.00 C ATOM 463 O ALA A 33 3.391 -11.262 13.042 1.00 0.00 O ATOM 464 CB ALA A 33 6.328 -11.741 11.928 1.00 0.00 C ATOM 0 H ALA A 33 5.423 -12.454 9.644 1.00 0.00 H new ATOM 0 HA ALA A 33 4.892 -13.247 12.417 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.347 -11.317 12.932 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.138 -12.463 11.823 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.455 -10.944 11.195 1.00 0.00 H new ATOM 470 N ASP A 34 3.370 -10.858 10.829 1.00 0.00 N ATOM 471 CA ASP A 34 2.269 -9.905 10.902 1.00 0.00 C ATOM 472 C ASP A 34 1.004 -10.487 10.280 1.00 0.00 C ATOM 473 O ASP A 34 -0.077 -9.906 10.387 1.00 0.00 O ATOM 474 CB ASP A 34 2.647 -8.602 10.196 1.00 0.00 C ATOM 475 CG ASP A 34 1.967 -7.393 10.808 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.779 -7.504 11.176 1.00 0.00 O ATOM 477 OD2 ASP A 34 2.623 -6.336 10.919 1.00 0.00 O ATOM 0 H ASP A 34 3.733 -11.012 9.888 1.00 0.00 H new ATOM 0 HA ASP A 34 2.071 -9.695 11.953 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.728 -8.468 10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.378 -8.672 9.142 1.00 0.00 H new ATOM 482 N HIS A 35 1.146 -11.636 9.628 1.00 0.00 N ATOM 483 CA HIS A 35 0.014 -12.297 8.988 1.00 0.00 C ATOM 484 C HIS A 35 -0.661 -11.367 7.984 1.00 0.00 C ATOM 485 O HIS A 35 -1.865 -11.461 7.747 1.00 0.00 O ATOM 486 CB HIS A 35 -0.998 -12.753 10.039 1.00 0.00 C ATOM 487 CG HIS A 35 -0.377 -13.466 11.200 1.00 0.00 C ATOM 488 ND1 HIS A 35 -0.010 -14.795 11.158 1.00 0.00 N ATOM 489 CD2 HIS A 35 -0.055 -13.027 12.439 1.00 0.00 C ATOM 490 CE1 HIS A 35 0.508 -15.143 12.323 1.00 0.00 C ATOM 491 NE2 HIS A 35 0.493 -14.088 13.117 1.00 0.00 N ATOM 0 H HIS A 35 2.033 -12.129 9.529 1.00 0.00 H new ATOM 0 HA HIS A 35 0.389 -13.170 8.453 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.544 -11.884 10.407 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.728 -13.411 9.567 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.202 -12.028 12.823 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.880 -16.123 12.582 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.833 -14.065 14.078 1.00 0.00 H new ATOM 499 N VAL A 36 0.123 -10.469 7.397 1.00 0.00 N ATOM 500 CA VAL A 36 -0.398 -9.522 6.418 1.00 0.00 C ATOM 501 C VAL A 36 0.723 -8.685 5.812 1.00 0.00 C ATOM 502 O VAL A 36 1.675 -8.313 6.499 1.00 0.00 O ATOM 503 CB VAL A 36 -1.443 -8.582 7.049 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.773 -7.596 7.994 1.00 0.00 C ATOM 505 CG2 VAL A 36 -2.222 -7.849 5.966 1.00 0.00 C ATOM 0 H VAL A 36 1.122 -10.377 7.582 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.874 -10.108 5.632 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.145 -9.183 7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.527 -6.940 8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.264 -8.142 8.788 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.048 -6.998 7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.956 -7.189 6.429 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.535 -7.259 5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.734 -8.573 5.333 1.00 0.00 H new ATOM 515 N CYS A 37 0.603 -8.391 4.522 1.00 0.00 N ATOM 516 CA CYS A 37 1.606 -7.597 3.823 1.00 0.00 C ATOM 517 C CYS A 37 1.169 -7.309 2.390 1.00 0.00 C ATOM 518 O CYS A 37 0.465 -8.108 1.772 1.00 0.00 O ATOM 519 CB CYS A 37 2.952 -8.324 3.822 1.00 0.00 C ATOM 520 SG CYS A 37 4.372 -7.247 3.517 1.00 0.00 S ATOM 0 H CYS A 37 -0.179 -8.691 3.939 1.00 0.00 H new ATOM 0 HA CYS A 37 1.714 -6.648 4.349 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.086 -8.820 4.783 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.931 -9.104 3.061 1.00 0.00 H new ATOM 0 HG CYS A 37 5.000 -7.648 2.452 1.00 0.00 H new ATOM 526 N LEU A 38 1.590 -6.162 1.868 1.00 0.00 N ATOM 527 CA LEU A 38 1.241 -5.766 0.508 1.00 0.00 C ATOM 528 C LEU A 38 2.267 -6.291 -0.492 1.00 0.00 C ATOM 529 O LEU A 38 3.473 -6.147 -0.291 1.00 0.00 O ATOM 530 CB LEU A 38 1.146 -4.243 0.407 1.00 0.00 C ATOM 531 CG LEU A 38 1.049 -3.669 -1.007 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.401 -3.607 -1.460 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.687 -2.289 -1.067 1.00 0.00 C ATOM 0 H LEU A 38 2.174 -5.490 2.366 1.00 0.00 H new ATOM 0 HA LEU A 38 0.271 -6.200 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.273 -3.915 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.021 -3.811 0.894 1.00 0.00 H new ATOM 0 HG LEU A 38 1.592 -4.329 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.450 -3.196 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.827 -4.610 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.968 -2.970 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.609 -1.896 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.172 -1.620 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.738 -2.361 -0.786 1.00 0.00 H new ATOM 545 N GLU A 39 1.779 -6.897 -1.570 1.00 0.00 N ATOM 546 CA GLU A 39 2.655 -7.441 -2.601 1.00 0.00 C ATOM 547 C GLU A 39 3.009 -6.373 -3.633 1.00 0.00 C ATOM 548 O GLU A 39 4.172 -6.005 -3.787 1.00 0.00 O ATOM 549 CB GLU A 39 1.988 -8.632 -3.292 1.00 0.00 C ATOM 550 CG GLU A 39 2.973 -9.673 -3.796 1.00 0.00 C ATOM 551 CD GLU A 39 3.226 -10.775 -2.786 1.00 0.00 C ATOM 552 OE1 GLU A 39 2.450 -11.753 -2.768 1.00 0.00 O ATOM 553 OE2 GLU A 39 4.200 -10.659 -2.013 1.00 0.00 O ATOM 0 H GLU A 39 0.783 -7.023 -1.752 1.00 0.00 H new ATOM 0 HA GLU A 39 3.574 -7.777 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.297 -9.106 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.395 -8.269 -4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.592 -10.111 -4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.917 -9.186 -4.041 1.00 0.00 H new ATOM 560 N ASN A 40 1.995 -5.882 -4.338 1.00 0.00 N ATOM 561 CA ASN A 40 2.198 -4.858 -5.357 1.00 0.00 C ATOM 562 C ASN A 40 1.062 -3.839 -5.338 1.00 0.00 C ATOM 563 O ASN A 40 -0.094 -4.188 -5.094 1.00 0.00 O ATOM 564 CB ASN A 40 2.300 -5.500 -6.742 1.00 0.00 C ATOM 565 CG ASN A 40 0.970 -6.043 -7.227 1.00 0.00 C ATOM 566 OD1 ASN A 40 0.573 -7.152 -6.871 1.00 0.00 O ATOM 567 ND2 ASN A 40 0.274 -5.261 -8.044 1.00 0.00 N ATOM 0 H ASN A 40 1.025 -6.176 -4.223 1.00 0.00 H new ATOM 0 HA ASN A 40 3.131 -4.340 -5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.670 -4.763 -7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.030 -6.309 -6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.629 -5.573 -8.403 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.642 -4.348 -8.313 1.00 0.00 H new ATOM 574 N CYS A 41 1.399 -2.581 -5.598 1.00 0.00 N ATOM 575 CA CYS A 41 0.408 -1.511 -5.612 1.00 0.00 C ATOM 576 C CYS A 41 0.655 -0.555 -6.774 1.00 0.00 C ATOM 577 O CYS A 41 1.580 0.257 -6.738 1.00 0.00 O ATOM 578 CB CYS A 41 0.437 -0.744 -4.289 1.00 0.00 C ATOM 579 SG CYS A 41 -0.653 0.698 -4.248 1.00 0.00 S ATOM 0 H CYS A 41 2.351 -2.277 -5.802 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.576 -1.962 -5.741 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.156 -1.421 -3.482 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.459 -0.420 -4.092 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.560 1.279 -3.089 1.00 0.00 H new ATOM 585 N VAL A 42 -0.176 -0.659 -7.806 1.00 0.00 N ATOM 586 CA VAL A 42 -0.048 0.196 -8.980 1.00 0.00 C ATOM 587 C VAL A 42 -0.838 1.489 -8.808 1.00 0.00 C ATOM 588 O VAL A 42 -1.680 1.601 -7.916 1.00 0.00 O ATOM 589 CB VAL A 42 -0.532 -0.523 -10.253 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.262 -1.800 -10.481 1.00 0.00 C ATOM 591 CG2 VAL A 42 -2.021 -0.820 -10.163 1.00 0.00 C ATOM 0 H VAL A 42 -0.945 -1.327 -7.853 1.00 0.00 H new ATOM 0 HA VAL A 42 1.011 0.432 -9.085 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.367 0.135 -11.106 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.095 -2.294 -11.385 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.318 -1.556 -10.593 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.132 -2.466 -9.628 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.346 -1.328 -11.071 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.213 -1.459 -9.301 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.572 0.114 -10.053 1.00 0.00 H new ATOM 601 N LEU A 43 -0.561 2.463 -9.667 1.00 0.00 N ATOM 602 CA LEU A 43 -1.246 3.750 -9.611 1.00 0.00 C ATOM 603 C LEU A 43 -1.914 4.070 -10.945 1.00 0.00 C ATOM 604 O LEU A 43 -1.339 3.841 -12.010 1.00 0.00 O ATOM 605 CB LEU A 43 -0.260 4.860 -9.242 1.00 0.00 C ATOM 606 CG LEU A 43 -0.842 6.044 -8.470 1.00 0.00 C ATOM 607 CD1 LEU A 43 0.207 6.648 -7.548 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.378 7.096 -9.431 1.00 0.00 C ATOM 0 H LEU A 43 0.133 2.387 -10.411 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.018 3.689 -8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.542 4.423 -8.647 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.192 5.237 -10.159 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.669 5.683 -7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.225 7.489 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.544 5.894 -6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.055 6.994 -8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.788 7.931 -8.864 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.569 7.453 -10.068 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.161 6.658 -10.050 1.00 0.00 H new ATOM 620 N LYS A 44 -3.129 4.603 -10.880 1.00 0.00 N ATOM 621 CA LYS A 44 -3.874 4.959 -12.081 1.00 0.00 C ATOM 622 C LYS A 44 -4.470 6.358 -11.958 1.00 0.00 C ATOM 623 O LYS A 44 -4.225 7.063 -10.979 1.00 0.00 O ATOM 624 CB LYS A 44 -4.987 3.940 -12.336 1.00 0.00 C ATOM 625 CG LYS A 44 -4.497 2.503 -12.389 1.00 0.00 C ATOM 626 CD LYS A 44 -4.524 1.853 -11.016 1.00 0.00 C ATOM 627 CE LYS A 44 -5.942 1.499 -10.596 1.00 0.00 C ATOM 628 NZ LYS A 44 -6.517 0.416 -11.441 1.00 0.00 N ATOM 0 H LYS A 44 -3.619 4.798 -10.007 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.182 4.951 -12.923 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.737 4.030 -11.551 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.480 4.182 -13.277 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.120 1.930 -13.076 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.481 2.478 -12.784 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.911 0.952 -11.026 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.084 2.529 -10.283 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.944 1.185 -9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.573 2.386 -10.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.335 -0.006 -10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.822 0.812 -12.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.797 -0.316 -11.605 1.00 0.00 H new ATOM 642 N ASP A 45 -5.253 6.752 -12.956 1.00 0.00 N ATOM 643 CA ASP A 45 -5.886 8.066 -12.957 1.00 0.00 C ATOM 644 C ASP A 45 -6.706 8.276 -11.689 1.00 0.00 C ATOM 645 O ASP A 45 -7.662 7.546 -11.427 1.00 0.00 O ATOM 646 CB ASP A 45 -6.778 8.225 -14.189 1.00 0.00 C ATOM 647 CG ASP A 45 -6.275 7.425 -15.375 1.00 0.00 C ATOM 648 OD1 ASP A 45 -5.292 7.861 -16.010 1.00 0.00 O ATOM 649 OD2 ASP A 45 -6.865 6.364 -15.669 1.00 0.00 O ATOM 0 H ASP A 45 -5.465 6.181 -13.774 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.100 8.820 -12.988 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.791 7.907 -13.944 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.831 9.279 -14.462 1.00 0.00 H new ATOM 654 N LYS A 46 -6.326 9.278 -10.903 1.00 0.00 N ATOM 655 CA LYS A 46 -7.026 9.585 -9.661 1.00 0.00 C ATOM 656 C LYS A 46 -7.567 8.314 -9.013 1.00 0.00 C ATOM 657 O LYS A 46 -8.657 8.314 -8.441 1.00 0.00 O ATOM 658 CB LYS A 46 -8.173 10.563 -9.927 1.00 0.00 C ATOM 659 CG LYS A 46 -7.761 12.022 -9.838 1.00 0.00 C ATOM 660 CD LYS A 46 -6.930 12.441 -11.039 1.00 0.00 C ATOM 661 CE LYS A 46 -7.809 12.912 -12.188 1.00 0.00 C ATOM 662 NZ LYS A 46 -8.133 11.804 -13.129 1.00 0.00 N ATOM 0 H LYS A 46 -5.537 9.892 -11.104 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.315 10.046 -8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.582 10.369 -10.919 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.973 10.376 -9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.650 12.649 -9.773 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.189 12.184 -8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.248 13.241 -10.750 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.317 11.603 -11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.733 13.332 -11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.302 13.711 -12.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.965 12.118 -14.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.529 10.983 -12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.132 11.536 -13.019 1.00 0.00 H new ATOM 676 N ALA A 47 -6.798 7.235 -9.106 1.00 0.00 N ATOM 677 CA ALA A 47 -7.198 5.959 -8.525 1.00 0.00 C ATOM 678 C ALA A 47 -5.996 5.041 -8.333 1.00 0.00 C ATOM 679 O ALA A 47 -5.011 5.132 -9.067 1.00 0.00 O ATOM 680 CB ALA A 47 -8.244 5.286 -9.401 1.00 0.00 C ATOM 0 H ALA A 47 -5.894 7.218 -9.578 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.632 6.155 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.534 4.334 -8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.120 5.930 -9.482 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.829 5.111 -10.394 1.00 0.00 H new ATOM 686 N ILE A 48 -6.083 4.159 -7.343 1.00 0.00 N ATOM 687 CA ILE A 48 -5.001 3.225 -7.056 1.00 0.00 C ATOM 688 C ILE A 48 -5.504 1.785 -7.056 1.00 0.00 C ATOM 689 O ILE A 48 -6.709 1.538 -7.011 1.00 0.00 O ATOM 690 CB ILE A 48 -4.342 3.527 -5.697 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.237 3.046 -4.554 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.060 5.016 -5.565 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.685 3.361 -3.181 1.00 0.00 C ATOM 0 H ILE A 48 -6.891 4.072 -6.727 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.259 3.349 -7.845 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.395 2.991 -5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.220 3.505 -4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.377 1.969 -4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.594 5.214 -4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.388 5.331 -6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.995 5.571 -5.637 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.371 2.991 -2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.715 2.880 -3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.571 4.440 -3.073 1.00 0.00 H new ATOM 705 N ALA A 49 -4.572 0.839 -7.104 1.00 0.00 N ATOM 706 CA ALA A 49 -4.921 -0.576 -7.105 1.00 0.00 C ATOM 707 C ALA A 49 -3.756 -1.429 -6.613 1.00 0.00 C ATOM 708 O ALA A 49 -2.612 -1.229 -7.021 1.00 0.00 O ATOM 709 CB ALA A 49 -5.345 -1.014 -8.499 1.00 0.00 C ATOM 0 H ALA A 49 -3.570 1.027 -7.143 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.757 -0.719 -6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.603 -2.073 -8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.212 -0.434 -8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.524 -0.850 -9.197 1.00 0.00 H new ATOM 715 N GLY A 50 -4.054 -2.380 -5.733 1.00 0.00 N ATOM 716 CA GLY A 50 -3.021 -3.247 -5.199 1.00 0.00 C ATOM 717 C GLY A 50 -3.587 -4.509 -4.579 1.00 0.00 C ATOM 718 O GLY A 50 -4.760 -4.556 -4.207 1.00 0.00 O ATOM 0 H GLY A 50 -4.993 -2.565 -5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.329 -3.517 -5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.447 -2.703 -4.449 1.00 0.00 H new ATOM 722 N THR A 51 -2.752 -5.538 -4.467 1.00 0.00 N ATOM 723 CA THR A 51 -3.176 -6.807 -3.890 1.00 0.00 C ATOM 724 C THR A 51 -2.430 -7.098 -2.593 1.00 0.00 C ATOM 725 O THR A 51 -1.208 -6.971 -2.526 1.00 0.00 O ATOM 726 CB THR A 51 -2.951 -7.973 -4.871 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.563 -8.069 -5.208 1.00 0.00 O ATOM 728 CG2 THR A 51 -3.774 -7.782 -6.136 1.00 0.00 C ATOM 0 H THR A 51 -1.778 -5.517 -4.769 1.00 0.00 H new ATOM 0 HA THR A 51 -4.242 -6.718 -3.681 1.00 0.00 H new ATOM 0 HB THR A 51 -3.270 -8.895 -4.385 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.367 -7.473 -5.961 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.599 -8.618 -6.814 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.832 -7.739 -5.879 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.481 -6.852 -6.623 1.00 0.00 H new ATOM 736 N VAL A 52 -3.174 -7.491 -1.563 1.00 0.00 N ATOM 737 CA VAL A 52 -2.582 -7.802 -0.267 1.00 0.00 C ATOM 738 C VAL A 52 -2.671 -9.294 0.033 1.00 0.00 C ATOM 739 O VAL A 52 -3.618 -9.966 -0.376 1.00 0.00 O ATOM 740 CB VAL A 52 -3.270 -7.019 0.867 1.00 0.00 C ATOM 741 CG1 VAL A 52 -2.774 -7.497 2.223 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.035 -5.525 0.700 1.00 0.00 C ATOM 0 H VAL A 52 -4.187 -7.601 -1.601 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.534 -7.506 -0.318 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.343 -7.203 0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.271 -6.932 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.998 -8.557 2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.697 -7.344 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.528 -4.986 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.965 -5.320 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.444 -5.197 -0.256 1.00 0.00 H new ATOM 752 N LYS A 53 -1.678 -9.807 0.752 1.00 0.00 N ATOM 753 CA LYS A 53 -1.644 -11.220 1.111 1.00 0.00 C ATOM 754 C LYS A 53 -1.965 -11.414 2.589 1.00 0.00 C ATOM 755 O LYS A 53 -1.731 -10.525 3.408 1.00 0.00 O ATOM 756 CB LYS A 53 -0.269 -11.814 0.794 1.00 0.00 C ATOM 757 CG LYS A 53 -0.110 -12.239 -0.655 1.00 0.00 C ATOM 758 CD LYS A 53 -0.996 -13.427 -0.989 1.00 0.00 C ATOM 759 CE LYS A 53 -0.413 -14.258 -2.121 1.00 0.00 C ATOM 760 NZ LYS A 53 -1.131 -15.551 -2.288 1.00 0.00 N ATOM 0 H LYS A 53 -0.886 -9.265 1.098 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.402 -11.737 0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.499 -11.079 1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.098 -12.677 1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.359 -11.403 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.932 -12.496 -0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.118 -14.051 -0.104 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.989 -13.074 -1.269 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.465 -13.692 -3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.641 -14.451 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.587 -16.171 -2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.237 -16.011 -1.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.071 -15.376 -2.697 1.00 0.00 H new ATOM 774 N VAL A 54 -2.501 -12.583 2.925 1.00 0.00 N ATOM 775 CA VAL A 54 -2.852 -12.895 4.306 1.00 0.00 C ATOM 776 C VAL A 54 -2.678 -14.382 4.594 1.00 0.00 C ATOM 777 O VAL A 54 -2.792 -15.215 3.696 1.00 0.00 O ATOM 778 CB VAL A 54 -4.303 -12.488 4.622 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.488 -10.989 4.444 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.276 -13.261 3.744 1.00 0.00 C ATOM 0 H VAL A 54 -2.702 -13.330 2.260 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.176 -12.323 4.942 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.513 -12.735 5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.519 -10.720 4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.817 -10.457 5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.260 -10.714 3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.297 -12.961 3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.069 -13.047 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.160 -14.329 3.926 1.00 0.00 H new ATOM 790 N GLN A 55 -2.402 -14.706 5.853 1.00 0.00 N ATOM 791 CA GLN A 55 -2.213 -16.094 6.260 1.00 0.00 C ATOM 792 C GLN A 55 -3.553 -16.769 6.530 1.00 0.00 C ATOM 793 O GLN A 55 -4.493 -16.137 7.009 1.00 0.00 O ATOM 794 CB GLN A 55 -1.331 -16.165 7.509 1.00 0.00 C ATOM 795 CG GLN A 55 0.158 -16.160 7.203 1.00 0.00 C ATOM 796 CD GLN A 55 0.662 -17.512 6.737 1.00 0.00 C ATOM 797 OE1 GLN A 55 -0.120 -18.378 6.345 1.00 0.00 O ATOM 798 NE2 GLN A 55 1.976 -17.700 6.779 1.00 0.00 N ATOM 0 H GLN A 55 -2.304 -14.027 6.608 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.719 -16.622 5.444 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.563 -15.319 8.156 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.576 -17.069 8.066 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.365 -15.415 6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.707 -15.859 8.095 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.588 -16.954 7.111 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.374 -18.590 6.479 1.00 0.00 H new ATOM 807 N ASN A 56 -3.633 -18.059 6.219 1.00 0.00 N ATOM 808 CA ASN A 56 -4.859 -18.821 6.428 1.00 0.00 C ATOM 809 C ASN A 56 -4.996 -19.242 7.888 1.00 0.00 C ATOM 810 O ASN A 56 -5.261 -20.407 8.187 1.00 0.00 O ATOM 811 CB ASN A 56 -4.876 -20.057 5.525 1.00 0.00 C ATOM 812 CG ASN A 56 -4.048 -21.195 6.088 1.00 0.00 C ATOM 813 OD1 ASN A 56 -2.922 -20.992 6.545 1.00 0.00 O ATOM 814 ND2 ASN A 56 -4.602 -22.401 6.057 1.00 0.00 N ATOM 0 H ASN A 56 -2.864 -18.598 5.822 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.703 -18.181 6.173 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.905 -20.391 5.391 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.497 -19.789 4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.092 -23.206 6.421 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.537 -22.523 5.669 1.00 0.00 H new ATOM 821 N LEU A 57 -4.816 -18.286 8.792 1.00 0.00 N ATOM 822 CA LEU A 57 -4.920 -18.557 10.222 1.00 0.00 C ATOM 823 C LEU A 57 -6.301 -19.103 10.574 1.00 0.00 C ATOM 824 O LEU A 57 -6.422 -20.166 11.180 1.00 0.00 O ATOM 825 CB LEU A 57 -4.643 -17.284 11.024 1.00 0.00 C ATOM 826 CG LEU A 57 -3.398 -16.494 10.619 1.00 0.00 C ATOM 827 CD1 LEU A 57 -3.339 -15.171 11.367 1.00 0.00 C ATOM 828 CD2 LEU A 57 -2.141 -17.311 10.876 1.00 0.00 C ATOM 0 H LEU A 57 -4.597 -17.317 8.561 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.175 -19.310 10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.509 -16.628 10.937 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.551 -17.554 12.076 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.457 -16.282 9.551 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.446 -14.622 11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.224 -14.580 11.132 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.304 -15.361 12.440 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.265 -16.733 10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.076 -17.555 11.936 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.180 -18.232 10.294 1.00 0.00 H new ATOM 840 N ALA A 58 -7.338 -18.367 10.187 1.00 0.00 N ATOM 841 CA ALA A 58 -8.710 -18.779 10.458 1.00 0.00 C ATOM 842 C ALA A 58 -9.482 -19.000 9.162 1.00 0.00 C ATOM 843 O ALA A 58 -8.957 -18.783 8.069 1.00 0.00 O ATOM 844 CB ALA A 58 -9.411 -17.743 11.323 1.00 0.00 C ATOM 0 H ALA A 58 -7.254 -17.483 9.685 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.680 -19.725 10.998 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.434 -18.064 11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.878 -17.637 12.268 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.423 -16.784 10.804 1.00 0.00 H new ATOM 850 N PHE A 59 -10.732 -19.432 9.290 1.00 0.00 N ATOM 851 CA PHE A 59 -11.577 -19.683 8.128 1.00 0.00 C ATOM 852 C PHE A 59 -11.989 -18.374 7.461 1.00 0.00 C ATOM 853 O PHE A 59 -11.751 -18.171 6.271 1.00 0.00 O ATOM 854 CB PHE A 59 -12.822 -20.474 8.538 1.00 0.00 C ATOM 855 CG PHE A 59 -12.533 -21.594 9.496 1.00 0.00 C ATOM 856 CD1 PHE A 59 -11.613 -22.579 9.173 1.00 0.00 C ATOM 857 CD2 PHE A 59 -13.179 -21.661 10.719 1.00 0.00 C ATOM 858 CE1 PHE A 59 -11.346 -23.611 10.053 1.00 0.00 C ATOM 859 CE2 PHE A 59 -12.916 -22.690 11.603 1.00 0.00 C ATOM 860 CZ PHE A 59 -11.997 -23.666 11.270 1.00 0.00 C ATOM 0 H PHE A 59 -11.182 -19.616 10.187 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.002 -20.269 7.412 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.541 -19.793 8.994 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.293 -20.884 7.644 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.099 -22.540 8.224 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.897 -20.900 10.985 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.629 -24.374 9.789 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.428 -22.731 12.553 1.00 0.00 H new ATOM 0 HZ PHE A 59 -11.788 -24.470 11.960 1.00 0.00 H new ATOM 870 N GLU A 60 -12.608 -17.491 8.238 1.00 0.00 N ATOM 871 CA GLU A 60 -13.054 -16.202 7.722 1.00 0.00 C ATOM 872 C GLU A 60 -11.916 -15.185 7.739 1.00 0.00 C ATOM 873 O GLU A 60 -10.930 -15.352 8.457 1.00 0.00 O ATOM 874 CB GLU A 60 -14.233 -15.678 8.545 1.00 0.00 C ATOM 875 CG GLU A 60 -15.405 -16.643 8.612 1.00 0.00 C ATOM 876 CD GLU A 60 -16.726 -15.940 8.860 1.00 0.00 C ATOM 877 OE1 GLU A 60 -17.002 -14.935 8.171 1.00 0.00 O ATOM 878 OE2 GLU A 60 -17.483 -16.395 9.742 1.00 0.00 O ATOM 0 H GLU A 60 -12.812 -17.644 9.226 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.375 -16.345 6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.892 -15.463 9.558 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.574 -14.735 8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.465 -17.202 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.229 -17.368 9.406 1.00 0.00 H new ATOM 885 N LYS A 61 -12.060 -14.131 6.943 1.00 0.00 N ATOM 886 CA LYS A 61 -11.047 -13.086 6.866 1.00 0.00 C ATOM 887 C LYS A 61 -11.688 -11.722 6.635 1.00 0.00 C ATOM 888 O LYS A 61 -12.744 -11.618 6.009 1.00 0.00 O ATOM 889 CB LYS A 61 -10.054 -13.392 5.742 1.00 0.00 C ATOM 890 CG LYS A 61 -9.385 -14.749 5.874 1.00 0.00 C ATOM 891 CD LYS A 61 -8.467 -15.035 4.698 1.00 0.00 C ATOM 892 CE LYS A 61 -7.618 -16.273 4.941 1.00 0.00 C ATOM 893 NZ LYS A 61 -8.447 -17.508 5.019 1.00 0.00 N ATOM 0 H LYS A 61 -12.870 -13.978 6.342 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.514 -13.061 7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.575 -13.345 4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.287 -12.618 5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.812 -14.785 6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.146 -15.526 5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.062 -15.173 3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.818 -14.176 4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.888 -16.376 4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.058 -16.153 5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.843 -18.317 5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.182 -17.387 5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.896 -17.684 4.097 1.00 0.00 H new ATOM 907 N THR A 62 -11.043 -10.676 7.142 1.00 0.00 N ATOM 908 CA THR A 62 -11.551 -9.318 6.990 1.00 0.00 C ATOM 909 C THR A 62 -10.438 -8.357 6.586 1.00 0.00 C ATOM 910 O THR A 62 -9.720 -7.831 7.436 1.00 0.00 O ATOM 911 CB THR A 62 -12.202 -8.813 8.292 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.238 -9.712 8.702 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.780 -7.418 8.102 1.00 0.00 C ATOM 0 H THR A 62 -10.168 -10.743 7.661 1.00 0.00 H new ATOM 0 HA THR A 62 -12.305 -9.348 6.203 1.00 0.00 H new ATOM 0 HB THR A 62 -11.433 -8.769 9.064 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.646 -9.385 9.531 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.234 -7.082 9.034 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.984 -6.730 7.818 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.536 -7.441 7.318 1.00 0.00 H new ATOM 921 N VAL A 63 -10.301 -8.132 5.283 1.00 0.00 N ATOM 922 CA VAL A 63 -9.277 -7.233 4.766 1.00 0.00 C ATOM 923 C VAL A 63 -9.878 -5.892 4.358 1.00 0.00 C ATOM 924 O VAL A 63 -10.746 -5.827 3.488 1.00 0.00 O ATOM 925 CB VAL A 63 -8.550 -7.847 3.555 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.450 -6.917 3.065 1.00 0.00 C ATOM 927 CG2 VAL A 63 -7.985 -9.214 3.911 1.00 0.00 C ATOM 0 H VAL A 63 -10.887 -8.560 4.566 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.558 -7.076 5.570 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.270 -7.976 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.947 -7.367 2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.885 -5.963 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.728 -6.754 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.475 -9.634 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.278 -9.112 4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.797 -9.877 4.210 1.00 0.00 H new ATOM 937 N LYS A 64 -9.410 -4.823 4.993 1.00 0.00 N ATOM 938 CA LYS A 64 -9.898 -3.481 4.696 1.00 0.00 C ATOM 939 C LYS A 64 -8.758 -2.468 4.724 1.00 0.00 C ATOM 940 O LYS A 64 -8.022 -2.375 5.707 1.00 0.00 O ATOM 941 CB LYS A 64 -10.979 -3.076 5.700 1.00 0.00 C ATOM 942 CG LYS A 64 -12.356 -3.625 5.366 1.00 0.00 C ATOM 943 CD LYS A 64 -13.297 -3.532 6.556 1.00 0.00 C ATOM 944 CE LYS A 64 -14.392 -4.584 6.484 1.00 0.00 C ATOM 945 NZ LYS A 64 -15.489 -4.311 7.454 1.00 0.00 N ATOM 0 H LYS A 64 -8.693 -4.860 5.717 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.326 -3.491 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.690 -3.423 6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.032 -1.988 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.775 -3.072 4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.268 -4.665 5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.731 -3.657 7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.746 -2.539 6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.800 -4.615 5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.965 -5.567 6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.216 -5.051 7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.105 -4.307 8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.914 -3.385 7.246 1.00 0.00 H new ATOM 959 N ILE A 65 -8.619 -1.711 3.641 1.00 0.00 N ATOM 960 CA ILE A 65 -7.570 -0.703 3.544 1.00 0.00 C ATOM 961 C ILE A 65 -8.060 0.650 4.048 1.00 0.00 C ATOM 962 O ILE A 65 -9.146 1.102 3.687 1.00 0.00 O ATOM 963 CB ILE A 65 -7.070 -0.549 2.095 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.468 -1.864 1.598 1.00 0.00 C ATOM 965 CG2 ILE A 65 -6.050 0.576 2.004 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.350 -2.386 2.473 1.00 0.00 C ATOM 0 H ILE A 65 -9.219 -1.776 2.819 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.745 -1.044 4.170 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.918 -0.296 1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.255 -2.616 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.090 -1.721 0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.706 0.673 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.511 1.511 2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.202 0.351 2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.971 -3.321 2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.544 -1.653 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.728 -2.561 3.480 1.00 0.00 H new ATOM 978 N ARG A 66 -7.249 1.292 4.883 1.00 0.00 N ATOM 979 CA ARG A 66 -7.600 2.595 5.437 1.00 0.00 C ATOM 980 C ARG A 66 -6.584 3.654 5.018 1.00 0.00 C ATOM 981 O ARG A 66 -5.389 3.518 5.274 1.00 0.00 O ATOM 982 CB ARG A 66 -7.675 2.521 6.963 1.00 0.00 C ATOM 983 CG ARG A 66 -6.445 1.900 7.604 1.00 0.00 C ATOM 984 CD ARG A 66 -6.251 2.393 9.029 1.00 0.00 C ATOM 985 NE ARG A 66 -4.841 2.429 9.410 1.00 0.00 N ATOM 986 CZ ARG A 66 -4.420 2.453 10.669 1.00 0.00 C ATOM 987 NH1 ARG A 66 -5.296 2.446 11.665 1.00 0.00 N ATOM 988 NH2 ARG A 66 -3.121 2.485 10.935 1.00 0.00 N ATOM 0 H ARG A 66 -6.346 0.932 5.190 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.577 2.877 5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.813 3.526 7.361 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.554 1.942 7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.542 0.814 7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.563 2.142 7.011 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.679 3.391 9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.795 1.743 9.714 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.141 2.436 8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.296 2.422 11.465 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.970 2.464 12.631 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.444 2.491 10.172 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.799 2.503 11.903 1.00 0.00 H new ATOM 1002 N MET A 67 -7.070 4.709 4.372 1.00 0.00 N ATOM 1003 CA MET A 67 -6.205 5.792 3.918 1.00 0.00 C ATOM 1004 C MET A 67 -6.742 7.145 4.374 1.00 0.00 C ATOM 1005 O MET A 67 -7.932 7.431 4.236 1.00 0.00 O ATOM 1006 CB MET A 67 -6.079 5.768 2.394 1.00 0.00 C ATOM 1007 CG MET A 67 -5.280 6.933 1.832 1.00 0.00 C ATOM 1008 SD MET A 67 -4.394 6.503 0.321 1.00 0.00 S ATOM 1009 CE MET A 67 -5.739 6.458 -0.860 1.00 0.00 C ATOM 0 H MET A 67 -8.058 4.837 4.151 1.00 0.00 H new ATOM 0 HA MET A 67 -5.219 5.645 4.359 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.606 4.834 2.091 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.077 5.777 1.955 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.953 7.766 1.629 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.567 7.275 2.582 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.771 5.479 -1.338 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.682 6.641 -0.345 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.584 7.227 -1.617 1.00 0.00 H new ATOM 1019 N THR A 68 -5.858 7.975 4.920 1.00 0.00 N ATOM 1020 CA THR A 68 -6.244 9.296 5.398 1.00 0.00 C ATOM 1021 C THR A 68 -5.667 10.392 4.510 1.00 0.00 C ATOM 1022 O THR A 68 -4.600 10.228 3.918 1.00 0.00 O ATOM 1023 CB THR A 68 -5.778 9.527 6.848 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.343 10.741 7.356 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.260 9.597 6.923 1.00 0.00 C ATOM 0 H THR A 68 -4.870 7.755 5.042 1.00 0.00 H new ATOM 0 HA THR A 68 -7.333 9.339 5.363 1.00 0.00 H new ATOM 0 HB THR A 68 -6.117 8.687 7.455 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.298 10.773 7.139 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.954 9.761 7.956 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.834 8.661 6.562 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.903 10.420 6.304 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.377 11.512 4.421 1.00 0.00 N ATOM 1034 CA PHE A 69 -5.935 12.636 3.604 1.00 0.00 C ATOM 1035 C PHE A 69 -5.808 13.902 4.445 1.00 0.00 C ATOM 1036 O PHE A 69 -5.659 15.002 3.912 1.00 0.00 O ATOM 1037 CB PHE A 69 -6.913 12.871 2.451 1.00 0.00 C ATOM 1038 CG PHE A 69 -7.187 11.640 1.637 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -8.157 10.733 2.033 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -6.476 11.389 0.474 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -8.411 9.598 1.285 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -6.726 10.256 -0.278 1.00 0.00 C ATOM 1043 CZ PHE A 69 -7.695 9.360 0.128 1.00 0.00 C ATOM 0 H PHE A 69 -7.262 11.665 4.905 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.954 12.393 3.195 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.853 13.247 2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.513 13.647 1.798 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.721 10.915 2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.718 12.087 0.151 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.169 8.898 1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.164 10.072 -1.182 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.893 8.475 -0.458 1.00 0.00 H new ATOM 1053 N ASP A 70 -5.869 13.739 5.762 1.00 0.00 N ATOM 1054 CA ASP A 70 -5.761 14.869 6.678 1.00 0.00 C ATOM 1055 C ASP A 70 -4.736 14.585 7.772 1.00 0.00 C ATOM 1056 O ASP A 70 -5.074 14.518 8.954 1.00 0.00 O ATOM 1057 CB ASP A 70 -7.121 15.177 7.305 1.00 0.00 C ATOM 1058 CG ASP A 70 -8.199 15.407 6.264 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -8.088 16.389 5.502 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -9.155 14.604 6.213 1.00 0.00 O ATOM 0 H ASP A 70 -5.993 12.836 6.219 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.428 15.736 6.108 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.415 14.351 7.952 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.035 16.061 7.936 1.00 0.00 H new ATOM 1065 N THR A 71 -3.480 14.417 7.370 1.00 0.00 N ATOM 1066 CA THR A 71 -2.405 14.138 8.314 1.00 0.00 C ATOM 1067 C THR A 71 -2.882 13.219 9.433 1.00 0.00 C ATOM 1068 O THR A 71 -2.588 13.449 10.606 1.00 0.00 O ATOM 1069 CB THR A 71 -1.850 15.434 8.932 1.00 0.00 C ATOM 1070 OG1 THR A 71 -1.787 16.463 7.938 1.00 0.00 O ATOM 1071 CG2 THR A 71 -0.465 15.204 9.519 1.00 0.00 C ATOM 0 H THR A 71 -3.182 14.469 6.396 1.00 0.00 H new ATOM 0 HA THR A 71 -1.612 13.643 7.753 1.00 0.00 H new ATOM 0 HB THR A 71 -2.520 15.744 9.734 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.435 17.285 8.340 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.093 16.134 9.950 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.521 14.441 10.296 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.213 14.872 8.733 1.00 0.00 H new ATOM 1079 N TRP A 72 -3.619 12.177 9.063 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.136 11.223 10.037 1.00 0.00 C ATOM 1081 C TRP A 72 -5.101 11.900 11.003 1.00 0.00 C ATOM 1082 O TRP A 72 -4.937 11.819 12.221 1.00 0.00 O ATOM 1083 CB TRP A 72 -2.984 10.581 10.814 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.086 9.740 9.957 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -0.899 10.118 9.398 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.305 8.382 9.562 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.366 9.076 8.678 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.209 7.999 8.764 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.318 7.451 9.805 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -1.101 6.727 8.209 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -3.210 6.189 9.253 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -2.108 5.836 8.463 1.00 0.00 C ATOM 0 H TRP A 72 -3.872 11.972 8.096 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.678 10.447 9.496 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.393 11.365 11.287 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -3.394 9.964 11.614 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.446 11.092 9.506 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.514 9.100 8.163 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -4.171 7.713 10.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.253 6.453 7.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.988 5.462 9.434 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.052 4.841 8.046 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.110 12.567 10.454 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.104 13.258 11.267 1.00 0.00 C ATOM 1105 C LYS A 73 -8.508 12.744 10.962 1.00 0.00 C ATOM 1106 O LYS A 73 -9.375 12.724 11.835 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.037 14.767 11.020 1.00 0.00 C ATOM 1108 CG LYS A 73 -5.828 15.433 11.654 1.00 0.00 C ATOM 1109 CD LYS A 73 -6.141 16.854 12.091 1.00 0.00 C ATOM 1110 CE LYS A 73 -6.247 17.793 10.900 1.00 0.00 C ATOM 1111 NZ LYS A 73 -4.920 18.342 10.505 1.00 0.00 N ATOM 0 H LYS A 73 -6.261 12.644 9.448 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.882 13.058 12.315 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.021 14.951 9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.943 15.231 11.409 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.500 14.850 12.515 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.002 15.443 10.943 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.077 16.866 12.650 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.362 17.208 12.766 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.685 17.261 10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.921 18.614 11.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.036 18.977 9.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.512 18.872 11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.284 17.561 10.247 1.00 0.00 H new ATOM 1125 N SER A 74 -8.724 12.329 9.718 1.00 0.00 N ATOM 1126 CA SER A 74 -10.023 11.818 9.298 1.00 0.00 C ATOM 1127 C SER A 74 -9.893 10.981 8.029 1.00 0.00 C ATOM 1128 O SER A 74 -9.460 11.475 6.988 1.00 0.00 O ATOM 1129 CB SER A 74 -10.998 12.973 9.063 1.00 0.00 C ATOM 1130 OG SER A 74 -12.330 12.502 8.953 1.00 0.00 O ATOM 0 H SER A 74 -8.016 12.337 8.984 1.00 0.00 H new ATOM 0 HA SER A 74 -10.410 11.182 10.094 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.928 13.685 9.885 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.722 13.507 8.154 1.00 0.00 H new ATOM 0 HG SER A 74 -12.934 13.260 8.805 1.00 0.00 H new ATOM 1136 N TYR A 75 -10.272 9.711 8.124 1.00 0.00 N ATOM 1137 CA TYR A 75 -10.195 8.803 6.985 1.00 0.00 C ATOM 1138 C TYR A 75 -11.449 7.938 6.893 1.00 0.00 C ATOM 1139 O TYR A 75 -12.339 8.020 7.741 1.00 0.00 O ATOM 1140 CB TYR A 75 -8.956 7.914 7.097 1.00 0.00 C ATOM 1141 CG TYR A 75 -8.930 7.066 8.348 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -9.615 5.859 8.407 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -8.221 7.472 9.472 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -9.595 5.081 9.548 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -8.194 6.699 10.617 1.00 0.00 C ATOM 1146 CZ TYR A 75 -8.883 5.505 10.650 1.00 0.00 C ATOM 1147 OH TYR A 75 -8.859 4.733 11.789 1.00 0.00 O ATOM 0 H TYR A 75 -10.635 9.287 8.978 1.00 0.00 H new ATOM 0 HA TYR A 75 -10.122 9.403 6.078 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.907 7.262 6.225 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.065 8.542 7.075 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.173 5.523 7.546 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.682 8.408 9.450 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.134 4.146 9.577 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -7.636 7.028 11.481 1.00 0.00 H new ATOM 0 HH TYR A 75 -8.311 5.174 12.472 1.00 0.00 H new ATOM 1157 N THR A 76 -11.512 7.107 5.857 1.00 0.00 N ATOM 1158 CA THR A 76 -12.655 6.227 5.652 1.00 0.00 C ATOM 1159 C THR A 76 -12.204 4.797 5.377 1.00 0.00 C ATOM 1160 O THR A 76 -11.183 4.571 4.727 1.00 0.00 O ATOM 1161 CB THR A 76 -13.534 6.710 4.483 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.979 8.049 4.726 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.736 5.797 4.297 1.00 0.00 C ATOM 0 H THR A 76 -10.784 7.025 5.147 1.00 0.00 H new ATOM 0 HA THR A 76 -13.241 6.251 6.571 1.00 0.00 H new ATOM 0 HB THR A 76 -12.935 6.686 3.573 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.536 8.350 3.978 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.342 6.158 3.466 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.394 4.784 4.084 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.335 5.794 5.208 1.00 0.00 H new ATOM 1171 N ASP A 77 -12.972 3.834 5.875 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.653 2.424 5.681 1.00 0.00 C ATOM 1173 C ASP A 77 -13.161 1.933 4.330 1.00 0.00 C ATOM 1174 O ASP A 77 -14.353 2.020 4.034 1.00 0.00 O ATOM 1175 CB ASP A 77 -13.259 1.582 6.805 1.00 0.00 C ATOM 1176 CG ASP A 77 -14.689 1.171 6.513 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -15.508 2.057 6.189 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -14.989 -0.038 6.607 1.00 0.00 O ATOM 0 H ASP A 77 -13.820 4.004 6.416 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.569 2.316 5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.651 0.690 6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.230 2.148 7.736 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.250 1.416 3.512 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.605 0.913 2.191 1.00 0.00 C ATOM 1185 C PHE A 78 -12.508 -0.609 2.144 1.00 0.00 C ATOM 1186 O PHE A 78 -11.457 -1.198 2.397 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.693 1.526 1.125 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.456 2.997 1.314 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.456 3.915 1.039 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.231 3.462 1.767 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -12.241 5.269 1.212 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -10.011 4.815 1.943 1.00 0.00 C ATOM 1193 CZ PHE A 78 -11.016 5.720 1.663 1.00 0.00 C ATOM 0 H PHE A 78 -11.260 1.335 3.742 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.636 1.201 1.986 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.734 1.007 1.136 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.134 1.360 0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.416 3.568 0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.440 2.759 1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.030 5.974 0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.053 5.165 2.299 1.00 0.00 H new ATOM 0 HZ PHE A 78 -10.844 6.778 1.796 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.632 -1.263 1.814 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.700 -2.725 1.726 1.00 0.00 C ATOM 1205 C PRO A 79 -12.916 -3.272 0.539 1.00 0.00 C ATOM 1206 O PRO A 79 -13.004 -2.745 -0.571 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.196 -3.000 1.552 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.741 -1.756 0.940 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.922 -0.626 1.499 1.00 0.00 C ATOM 0 HA PRO A 79 -13.263 -3.207 2.600 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.368 -3.865 0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.673 -3.213 2.509 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.667 -1.791 -0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.796 -1.631 1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.806 0.182 0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.385 -0.195 2.387 1.00 0.00 H new ATOM 1217 N CYS A 80 -12.151 -4.331 0.778 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.350 -4.949 -0.272 1.00 0.00 C ATOM 1219 C CYS A 80 -12.175 -5.962 -1.060 1.00 0.00 C ATOM 1220 O CYS A 80 -13.298 -6.291 -0.679 1.00 0.00 O ATOM 1221 CB CYS A 80 -10.121 -5.632 0.329 1.00 0.00 C ATOM 1222 SG CYS A 80 -8.719 -4.523 0.600 1.00 0.00 S ATOM 0 H CYS A 80 -12.069 -4.780 1.690 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.023 -4.164 -0.954 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.400 -6.087 1.280 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.808 -6.441 -0.332 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.640 -5.224 0.785 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.611 -6.451 -2.159 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.296 -7.424 -3.001 1.00 0.00 C ATOM 1230 C GLN A 81 -11.601 -8.781 -2.941 1.00 0.00 C ATOM 1231 O GLN A 81 -10.580 -8.937 -2.271 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.351 -6.930 -4.448 1.00 0.00 C ATOM 1233 CG GLN A 81 -13.203 -5.685 -4.633 1.00 0.00 C ATOM 1234 CD GLN A 81 -13.850 -5.619 -6.003 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -14.854 -6.283 -6.260 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -13.276 -4.815 -6.891 1.00 0.00 N ATOM 0 H GLN A 81 -10.681 -6.189 -2.487 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.313 -7.539 -2.625 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.338 -6.721 -4.791 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.744 -7.726 -5.080 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.979 -5.663 -3.868 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.584 -4.800 -4.485 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.444 -4.283 -6.635 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.667 -4.730 -7.829 1.00 0.00 H new ATOM 1245 N TYR A 82 -12.161 -9.758 -3.645 1.00 0.00 N ATOM 1246 CA TYR A 82 -11.597 -11.103 -3.669 1.00 0.00 C ATOM 1247 C TYR A 82 -11.129 -11.472 -5.073 1.00 0.00 C ATOM 1248 O TYR A 82 -11.901 -11.425 -6.030 1.00 0.00 O ATOM 1249 CB TYR A 82 -12.629 -12.120 -3.180 1.00 0.00 C ATOM 1250 CG TYR A 82 -12.239 -13.556 -3.449 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -11.079 -14.095 -2.905 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -13.029 -14.373 -4.248 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -10.718 -15.405 -3.149 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -12.676 -15.686 -4.496 1.00 0.00 C ATOM 1255 CZ TYR A 82 -11.520 -16.197 -3.945 1.00 0.00 C ATOM 1256 OH TYR A 82 -11.164 -17.504 -4.190 1.00 0.00 O ATOM 0 H TYR A 82 -13.005 -9.644 -4.207 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.735 -11.120 -3.002 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.778 -11.987 -2.108 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.585 -11.916 -3.662 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.449 -13.478 -2.281 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.934 -13.975 -4.683 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.813 -15.808 -2.719 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.302 -16.308 -5.118 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.836 -17.923 -4.767 1.00 0.00 H new ATOM 1266 N VAL A 83 -9.856 -11.839 -5.188 1.00 0.00 N ATOM 1267 CA VAL A 83 -9.283 -12.218 -6.473 1.00 0.00 C ATOM 1268 C VAL A 83 -9.233 -13.734 -6.627 1.00 0.00 C ATOM 1269 O VAL A 83 -8.516 -14.420 -5.897 1.00 0.00 O ATOM 1270 CB VAL A 83 -7.862 -11.648 -6.644 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -7.267 -12.088 -7.973 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -7.881 -10.131 -6.535 1.00 0.00 C ATOM 0 H VAL A 83 -9.203 -11.882 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.930 -11.799 -7.244 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.233 -12.039 -5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.263 -11.676 -8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.218 -13.176 -8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.893 -11.727 -8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.869 -9.745 -6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.524 -9.718 -7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.263 -9.841 -5.556 1.00 0.00 H new ATOM 1415 N ASP A 93 -5.052 -16.318 0.713 1.00 0.00 N ATOM 1416 CA ASP A 93 -6.011 -15.614 -0.130 1.00 0.00 C ATOM 1417 C ASP A 93 -5.519 -14.207 -0.454 1.00 0.00 C ATOM 1418 O ASP A 93 -5.143 -13.447 0.439 1.00 0.00 O ATOM 1419 CB ASP A 93 -7.375 -15.545 0.559 1.00 0.00 C ATOM 1420 CG ASP A 93 -7.806 -16.883 1.125 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -7.880 -17.860 0.350 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -8.069 -16.955 2.344 1.00 0.00 O ATOM 0 HA ASP A 93 -6.112 -16.168 -1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.336 -14.809 1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.122 -15.198 -0.155 1.00 0.00 H new ATOM 1427 N THR A 94 -5.523 -13.865 -1.739 1.00 0.00 N ATOM 1428 CA THR A 94 -5.076 -12.551 -2.182 1.00 0.00 C ATOM 1429 C THR A 94 -6.256 -11.609 -2.390 1.00 0.00 C ATOM 1430 O THR A 94 -7.079 -11.816 -3.282 1.00 0.00 O ATOM 1431 CB THR A 94 -4.270 -12.643 -3.492 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.133 -13.493 -3.309 1.00 0.00 O ATOM 1433 CG2 THR A 94 -3.812 -11.265 -3.944 1.00 0.00 C ATOM 0 H THR A 94 -5.831 -14.481 -2.491 1.00 0.00 H new ATOM 0 HA THR A 94 -4.433 -12.155 -1.396 1.00 0.00 H new ATOM 0 HB THR A 94 -4.917 -13.064 -4.262 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.627 -13.548 -4.147 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.245 -11.356 -4.871 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.682 -10.629 -4.111 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.181 -10.821 -3.174 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.333 -10.573 -1.561 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.414 -9.599 -1.655 1.00 0.00 C ATOM 1443 C PHE A 95 -6.932 -8.314 -2.322 1.00 0.00 C ATOM 1444 O PHE A 95 -5.917 -7.740 -1.928 1.00 0.00 O ATOM 1445 CB PHE A 95 -7.970 -9.287 -0.264 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.583 -10.476 0.418 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -9.923 -10.780 0.238 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -7.820 -11.292 1.237 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -10.490 -11.873 0.864 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -8.381 -12.387 1.866 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.718 -12.679 1.678 1.00 0.00 C ATOM 0 H PHE A 95 -5.660 -10.387 -0.817 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.206 -10.030 -2.267 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.167 -8.895 0.360 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.720 -8.501 -0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -10.531 -10.155 -0.399 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.774 -11.070 1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -11.536 -12.097 0.717 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.775 -13.014 2.504 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.159 -13.536 2.166 1.00 0.00 H new ATOM 1461 N SER A 96 -7.668 -7.869 -3.336 1.00 0.00 N ATOM 1462 CA SER A 96 -7.315 -6.654 -4.062 1.00 0.00 C ATOM 1463 C SER A 96 -8.038 -5.444 -3.480 1.00 0.00 C ATOM 1464 O SER A 96 -9.054 -5.582 -2.798 1.00 0.00 O ATOM 1465 CB SER A 96 -7.657 -6.804 -5.545 1.00 0.00 C ATOM 1466 OG SER A 96 -7.312 -5.635 -6.269 1.00 0.00 O ATOM 0 H SER A 96 -8.512 -8.332 -3.673 1.00 0.00 H new ATOM 0 HA SER A 96 -6.241 -6.497 -3.959 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.127 -7.662 -5.959 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.723 -7.004 -5.657 1.00 0.00 H new ATOM 0 HG SER A 96 -7.539 -5.757 -7.215 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.508 -4.257 -3.756 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.102 -3.020 -3.261 1.00 0.00 C ATOM 1474 C PHE A 97 -8.073 -1.935 -4.333 1.00 0.00 C ATOM 1475 O PHE A 97 -7.092 -1.796 -5.064 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.361 -2.539 -2.011 1.00 0.00 C ATOM 1477 CG PHE A 97 -5.969 -2.049 -2.291 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -5.758 -0.781 -2.808 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -4.873 -2.857 -2.038 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.478 -0.328 -3.067 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -3.590 -2.410 -2.294 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.393 -1.143 -2.809 1.00 0.00 C ATOM 0 H PHE A 97 -6.668 -4.125 -4.320 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.142 -3.223 -3.004 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.933 -1.737 -1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.312 -3.355 -1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.603 -0.140 -3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.022 -3.848 -1.636 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.326 0.662 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.744 -3.050 -2.092 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.392 -0.790 -3.010 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.155 -1.170 -4.421 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.255 -0.096 -5.403 1.00 0.00 C ATOM 1494 C ASP A 98 -9.810 1.174 -4.765 1.00 0.00 C ATOM 1495 O ASP A 98 -11.023 1.323 -4.612 1.00 0.00 O ATOM 1496 CB ASP A 98 -10.143 -0.526 -6.571 1.00 0.00 C ATOM 1497 CG ASP A 98 -11.397 -1.243 -6.112 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -11.977 -0.826 -5.088 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -11.798 -2.222 -6.776 1.00 0.00 O ATOM 0 H ASP A 98 -9.976 -1.273 -3.824 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.253 0.116 -5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.423 0.352 -7.153 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.576 -1.180 -7.233 1.00 0.00 H new ATOM 1504 N ILE A 99 -8.916 2.084 -4.395 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.317 3.340 -3.774 1.00 0.00 C ATOM 1506 C ILE A 99 -9.352 4.472 -4.796 1.00 0.00 C ATOM 1507 O ILE A 99 -8.513 4.537 -5.694 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.367 3.730 -2.627 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.508 2.747 -1.463 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -8.650 5.151 -2.164 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.280 2.673 -0.582 1.00 0.00 C ATOM 0 H ILE A 99 -7.909 1.975 -4.514 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.318 3.186 -3.370 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.341 3.686 -2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.365 3.037 -0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.721 1.754 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.970 5.412 -1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.504 5.840 -2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -9.679 5.221 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.451 1.957 0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.424 2.353 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.078 3.656 -0.156 1.00 0.00 H new ATOM 1523 N SER A 100 -10.329 5.362 -4.652 1.00 0.00 N ATOM 1524 CA SER A 100 -10.475 6.491 -5.563 1.00 0.00 C ATOM 1525 C SER A 100 -9.789 7.733 -5.004 1.00 0.00 C ATOM 1526 O SER A 100 -10.158 8.236 -3.942 1.00 0.00 O ATOM 1527 CB SER A 100 -11.956 6.782 -5.815 1.00 0.00 C ATOM 1528 OG SER A 100 -12.636 7.048 -4.601 1.00 0.00 O ATOM 0 H SER A 100 -11.031 5.323 -3.913 1.00 0.00 H new ATOM 0 HA SER A 100 -9.998 6.228 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.053 7.636 -6.485 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.417 5.930 -6.315 1.00 0.00 H new ATOM 0 HG SER A 100 -12.049 7.553 -4.001 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.788 8.224 -5.727 1.00 0.00 N ATOM 1535 CA LEU A 101 -8.049 9.409 -5.304 1.00 0.00 C ATOM 1536 C LEU A 101 -8.907 10.662 -5.435 1.00 0.00 C ATOM 1537 O LEU A 101 -9.821 10.736 -6.258 1.00 0.00 O ATOM 1538 CB LEU A 101 -6.773 9.561 -6.135 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.790 8.391 -6.076 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.678 8.577 -7.097 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -5.213 8.250 -4.675 1.00 0.00 C ATOM 0 H LEU A 101 -8.470 7.820 -6.608 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.780 9.284 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.058 9.718 -7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.255 10.462 -5.807 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.329 7.475 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.988 7.735 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.107 8.628 -8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.141 9.501 -6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.516 7.413 -4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.689 9.166 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.021 8.070 -3.965 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.608 11.675 -4.608 1.00 0.00 N ATOM 1554 CA PRO A 102 -9.339 12.945 -4.614 1.00 0.00 C ATOM 1555 C PRO A 102 -9.068 13.764 -5.871 1.00 0.00 C ATOM 1556 O PRO A 102 -8.017 13.627 -6.497 1.00 0.00 O ATOM 1557 CB PRO A 102 -8.801 13.670 -3.378 1.00 0.00 C ATOM 1558 CG PRO A 102 -7.446 13.091 -3.158 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.532 11.657 -3.602 1.00 0.00 C ATOM 0 HA PRO A 102 -10.418 12.794 -4.600 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.750 14.746 -3.542 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.445 13.510 -2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.693 13.632 -3.730 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.158 13.158 -2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.590 11.311 -4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.770 10.993 -2.771 1.00 0.00 H new ATOM 1687 N ARG A 110 -0.908 15.568 4.464 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.302 14.250 4.320 1.00 0.00 C ATOM 1689 C ARG A 110 -1.346 13.215 3.910 1.00 0.00 C ATOM 1690 O ARG A 110 -2.514 13.314 4.285 1.00 0.00 O ATOM 1691 CB ARG A 110 0.366 13.825 5.628 1.00 0.00 C ATOM 1692 CG ARG A 110 1.555 12.898 5.433 1.00 0.00 C ATOM 1693 CD ARG A 110 2.851 13.679 5.282 1.00 0.00 C ATOM 1694 NE ARG A 110 3.134 14.005 3.887 1.00 0.00 N ATOM 1695 CZ ARG A 110 4.351 14.274 3.427 1.00 0.00 C ATOM 1696 NH1 ARG A 110 5.392 14.256 4.248 1.00 0.00 N ATOM 1697 NH2 ARG A 110 4.528 14.563 2.144 1.00 0.00 N ATOM 0 HA ARG A 110 0.455 14.309 3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.695 14.715 6.164 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.372 13.328 6.258 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.634 12.221 6.284 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.396 12.281 4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.790 14.599 5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.675 13.096 5.693 1.00 0.00 H new ATOM 0 HE ARG A 110 2.354 14.027 3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.259 14.035 5.235 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.325 14.463 3.893 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.729 14.579 1.510 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.463 14.769 1.792 1.00 0.00 H new ATOM 1711 N MET A 111 -0.916 12.222 3.138 1.00 0.00 N ATOM 1712 CA MET A 111 -1.814 11.169 2.678 1.00 0.00 C ATOM 1713 C MET A 111 -1.136 9.804 2.758 1.00 0.00 C ATOM 1714 O MET A 111 -0.208 9.517 2.002 1.00 0.00 O ATOM 1715 CB MET A 111 -2.264 11.444 1.242 1.00 0.00 C ATOM 1716 CG MET A 111 -2.932 10.252 0.576 1.00 0.00 C ATOM 1717 SD MET A 111 -3.505 10.620 -1.094 1.00 0.00 S ATOM 1718 CE MET A 111 -1.983 11.175 -1.859 1.00 0.00 C ATOM 0 H MET A 111 0.048 12.125 2.818 1.00 0.00 H new ATOM 0 HA MET A 111 -2.688 11.161 3.329 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.957 12.285 1.242 1.00 0.00 H new ATOM 0 HB3 MET A 111 -1.399 11.743 0.650 1.00 0.00 H new ATOM 0 HG2 MET A 111 -2.229 9.420 0.540 1.00 0.00 H new ATOM 0 HG3 MET A 111 -3.778 9.928 1.183 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.862 10.686 -2.826 1.00 0.00 H new ATOM 0 HE2 MET A 111 -2.020 12.255 -2.001 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.140 10.922 -1.216 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.607 8.968 3.678 1.00 0.00 N ATOM 1729 CA GLU A 112 -1.044 7.634 3.856 1.00 0.00 C ATOM 1730 C GLU A 112 -2.148 6.602 4.067 1.00 0.00 C ATOM 1731 O GLU A 112 -3.295 6.952 4.345 1.00 0.00 O ATOM 1732 CB GLU A 112 -0.081 7.617 5.044 1.00 0.00 C ATOM 1733 CG GLU A 112 0.869 8.803 5.075 1.00 0.00 C ATOM 1734 CD GLU A 112 0.273 10.010 5.772 1.00 0.00 C ATOM 1735 OE1 GLU A 112 -0.649 10.630 5.202 1.00 0.00 O ATOM 1736 OE2 GLU A 112 0.730 10.335 6.888 1.00 0.00 O ATOM 0 H GLU A 112 -2.376 9.190 4.311 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.496 7.375 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.658 7.600 5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.502 6.696 5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.789 8.513 5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.139 9.074 4.054 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.793 5.328 3.933 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.752 4.244 4.108 1.00 0.00 C ATOM 1745 C PHE A 113 -2.076 3.008 4.693 1.00 0.00 C ATOM 1746 O PHE A 113 -0.955 2.665 4.318 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.408 3.896 2.770 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.567 3.002 1.905 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.554 1.631 2.107 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.788 3.532 0.889 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.781 0.806 1.312 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -1.014 2.712 0.090 1.00 0.00 C ATOM 1753 CZ PHE A 113 -1.009 1.347 0.303 1.00 0.00 C ATOM 0 H PHE A 113 -0.848 5.021 3.704 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.519 4.580 4.805 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.365 3.410 2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.620 4.818 2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -3.155 1.202 2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.786 4.599 0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.781 -0.261 1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.414 3.138 -0.700 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.403 0.705 -0.318 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.766 2.344 5.615 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.233 1.146 6.251 1.00 0.00 C ATOM 1765 C ALA A 114 -3.176 -0.038 6.067 1.00 0.00 C ATOM 1766 O ALA A 114 -4.397 0.119 6.078 1.00 0.00 O ATOM 1767 CB ALA A 114 -1.985 1.400 7.730 1.00 0.00 C ATOM 0 H ALA A 114 -3.695 2.616 5.938 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.285 0.901 5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.587 0.497 8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.268 2.213 7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.922 1.673 8.215 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.602 -1.225 5.896 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.391 -2.437 5.709 1.00 0.00 C ATOM 1775 C VAL A 115 -3.900 -2.972 7.043 1.00 0.00 C ATOM 1776 O VAL A 115 -3.121 -3.218 7.963 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.574 -3.536 5.006 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.463 -4.718 4.651 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -1.891 -2.981 3.765 1.00 0.00 C ATOM 0 H VAL A 115 -1.593 -1.373 5.883 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.240 -2.168 5.080 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.802 -3.885 5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.868 -5.485 4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.901 -5.130 5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.258 -4.387 3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.318 -3.772 3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.644 -2.603 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.221 -2.170 4.050 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.213 -3.149 7.141 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.828 -3.653 8.363 1.00 0.00 C ATOM 1791 C TYR A 116 -6.432 -5.036 8.139 1.00 0.00 C ATOM 1792 O TYR A 116 -7.538 -5.165 7.613 1.00 0.00 O ATOM 1793 CB TYR A 116 -6.906 -2.686 8.853 1.00 0.00 C ATOM 1794 CG TYR A 116 -8.033 -3.363 9.601 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.798 -4.028 10.798 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.332 -3.338 9.110 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.824 -4.649 11.484 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.365 -3.955 9.789 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.106 -4.609 10.976 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.131 -5.225 11.656 1.00 0.00 O ATOM 0 H TYR A 116 -5.872 -2.951 6.388 1.00 0.00 H new ATOM 0 HA TYR A 116 -5.051 -3.735 9.123 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.446 -1.941 9.503 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.319 -2.151 7.997 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.796 -4.060 11.199 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.538 -2.827 8.181 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.624 -5.163 12.413 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.369 -3.926 9.393 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.970 -5.103 11.164 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.699 -6.068 8.542 1.00 0.00 N ATOM 1811 CA TYR A 117 -6.160 -7.442 8.384 1.00 0.00 C ATOM 1812 C TYR A 117 -6.619 -8.019 9.719 1.00 0.00 C ATOM 1813 O TYR A 117 -5.806 -8.294 10.600 1.00 0.00 O ATOM 1814 CB TYR A 117 -5.048 -8.311 7.795 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.366 -9.789 7.804 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.571 -10.264 7.303 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.459 -10.711 8.313 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -6.866 -11.613 7.310 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.745 -12.063 8.323 1.00 0.00 C ATOM 1820 CZ TYR A 117 -5.950 -12.509 7.821 1.00 0.00 C ATOM 1821 OH TYR A 117 -6.239 -13.854 7.828 1.00 0.00 O ATOM 0 H TYR A 117 -4.783 -5.979 8.981 1.00 0.00 H new ATOM 0 HA TYR A 117 -7.009 -7.437 7.700 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.856 -7.995 6.769 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.130 -8.142 8.357 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -7.290 -9.566 6.901 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.515 -10.365 8.707 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.809 -11.965 6.918 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -4.029 -12.767 8.722 1.00 0.00 H new ATOM 0 HH TYR A 117 -6.671 -14.091 8.675 1.00 0.00 H new ATOM 1831 N GLU A 118 -7.929 -8.199 9.860 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.497 -8.744 11.087 1.00 0.00 C ATOM 1833 C GLU A 118 -8.752 -10.242 10.951 1.00 0.00 C ATOM 1834 O GLU A 118 -9.288 -10.702 9.942 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.801 -8.023 11.436 1.00 0.00 C ATOM 1836 CG GLU A 118 -10.107 -8.004 12.924 1.00 0.00 C ATOM 1837 CD GLU A 118 -11.576 -7.763 13.214 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -12.423 -8.395 12.549 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -11.878 -6.943 14.107 1.00 0.00 O ATOM 0 H GLU A 118 -8.616 -7.975 9.140 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.777 -8.587 11.890 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.748 -6.997 11.072 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.625 -8.506 10.910 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.804 -8.953 13.366 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.513 -7.226 13.403 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.363 -10.998 11.972 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.548 -12.444 11.967 1.00 0.00 C ATOM 1848 C CYS A 119 -8.256 -13.035 13.343 1.00 0.00 C ATOM 1849 O CYS A 119 -7.547 -12.434 14.149 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.642 -13.091 10.918 1.00 0.00 C ATOM 1851 SG CYS A 119 -7.805 -14.889 10.809 1.00 0.00 S ATOM 0 H CYS A 119 -7.917 -10.633 12.814 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.588 -12.651 11.716 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -7.865 -12.657 9.943 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -6.605 -12.844 11.147 1.00 0.00 H new ATOM 0 HG CYS A 119 -7.227 -15.440 11.835 1.00 0.00 H new ATOM 1857 N ASN A 120 -8.809 -14.215 13.604 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.610 -14.886 14.883 1.00 0.00 C ATOM 1859 C ASN A 120 -8.742 -13.900 16.041 1.00 0.00 C ATOM 1860 O ASN A 120 -7.983 -13.957 17.008 1.00 0.00 O ATOM 1861 CB ASN A 120 -7.235 -15.556 14.923 1.00 0.00 C ATOM 1862 CG ASN A 120 -7.246 -16.935 14.293 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -6.406 -17.131 13.283 1.00 0.00 O flip ATOM 1864 ND2 ASN A 120 -8.001 -17.814 14.709 1.00 0.00 N flip ATOM 0 H ASN A 120 -9.398 -14.726 12.947 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.381 -15.649 14.989 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.512 -14.928 14.403 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.902 -15.635 15.958 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.630 -17.619 15.488 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -7.997 -18.737 14.275 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.711 -12.996 15.934 1.00 0.00 N ATOM 1872 CA GLY A 121 -9.925 -12.011 16.978 1.00 0.00 C ATOM 1873 C GLY A 121 -8.691 -11.172 17.245 1.00 0.00 C ATOM 1874 O GLY A 121 -8.400 -10.832 18.392 1.00 0.00 O ATOM 0 H GLY A 121 -10.352 -12.928 15.143 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.750 -11.358 16.694 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -10.222 -12.518 17.896 1.00 0.00 H new ATOM 1878 N GLN A 122 -7.963 -10.838 16.184 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.753 -10.035 16.310 1.00 0.00 C ATOM 1880 C GLN A 122 -6.709 -8.945 15.244 1.00 0.00 C ATOM 1881 O GLN A 122 -7.516 -8.937 14.315 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.512 -10.924 16.199 1.00 0.00 C ATOM 1883 CG GLN A 122 -5.376 -11.923 17.337 1.00 0.00 C ATOM 1884 CD GLN A 122 -4.126 -12.773 17.221 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -4.099 -13.760 16.485 1.00 0.00 O ATOM 1886 NE2 GLN A 122 -3.081 -12.393 17.947 1.00 0.00 N ATOM 0 H GLN A 122 -8.190 -11.111 15.228 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.764 -9.558 17.290 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.546 -11.465 15.254 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.624 -10.293 16.173 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.359 -11.387 18.286 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.252 -12.572 17.353 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -3.147 -11.568 18.544 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.212 -12.926 17.908 1.00 0.00 H new ATOM 1895 N THR A 123 -5.760 -8.025 15.385 1.00 0.00 N ATOM 1896 CA THR A 123 -5.611 -6.929 14.436 1.00 0.00 C ATOM 1897 C THR A 123 -4.172 -6.816 13.948 1.00 0.00 C ATOM 1898 O THR A 123 -3.245 -6.666 14.745 1.00 0.00 O ATOM 1899 CB THR A 123 -6.037 -5.585 15.058 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.359 -5.693 15.598 1.00 0.00 O ATOM 1901 CG2 THR A 123 -5.996 -4.472 14.022 1.00 0.00 C ATOM 0 H THR A 123 -5.083 -8.017 16.148 1.00 0.00 H new ATOM 0 HA THR A 123 -6.262 -7.153 13.591 1.00 0.00 H new ATOM 0 HB THR A 123 -5.337 -5.341 15.857 1.00 0.00 H new ATOM 0 HG1 THR A 123 -7.622 -4.836 15.993 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.301 -3.533 14.484 1.00 0.00 H new ATOM 0 HG22 THR A 123 -4.982 -4.373 13.634 1.00 0.00 H new ATOM 0 HG23 THR A 123 -6.676 -4.711 13.204 1.00 0.00 H new ATOM 1909 N TYR A 124 -3.991 -6.888 12.634 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.663 -6.796 12.039 1.00 0.00 C ATOM 1911 C TYR A 124 -2.528 -5.527 11.202 1.00 0.00 C ATOM 1912 O TYR A 124 -3.417 -5.188 10.421 1.00 0.00 O ATOM 1913 CB TYR A 124 -2.383 -8.024 11.172 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.692 -9.334 11.860 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.980 -9.738 12.982 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -3.699 -10.168 11.389 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -2.259 -10.935 13.613 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.986 -11.366 12.014 1.00 0.00 C ATOM 1919 CZ TYR A 124 -3.263 -11.745 13.126 1.00 0.00 C ATOM 1920 OH TYR A 124 -3.545 -12.937 13.753 1.00 0.00 O ATOM 0 H TYR A 124 -4.747 -7.010 11.961 1.00 0.00 H new ATOM 0 HA TYR A 124 -1.933 -6.756 12.847 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.973 -7.955 10.258 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -1.334 -8.018 10.876 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -1.194 -9.105 13.368 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -4.267 -9.874 10.519 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -1.694 -11.235 14.483 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -4.772 -12.002 11.634 1.00 0.00 H new ATOM 0 HH TYR A 124 -3.528 -12.808 14.724 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.409 -4.831 11.371 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.156 -3.600 10.631 1.00 0.00 C ATOM 1932 C TRP A 125 0.113 -3.719 9.795 1.00 0.00 C ATOM 1933 O TRP A 125 1.166 -4.111 10.299 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.038 -2.417 11.594 1.00 0.00 C ATOM 1935 CG TRP A 125 -2.281 -2.181 12.399 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -2.497 -2.544 13.698 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -3.477 -1.530 11.957 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -3.756 -2.158 14.090 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -4.377 -1.533 13.040 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -3.875 -0.944 10.753 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -5.649 -0.974 12.952 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.137 -0.389 10.667 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.012 -0.407 11.761 1.00 0.00 C ATOM 0 H TRP A 125 -0.663 -5.098 12.013 1.00 0.00 H new ATOM 0 HA TRP A 125 -1.997 -3.430 9.959 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -0.202 -2.591 12.272 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -0.805 -1.517 11.026 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -1.783 -3.059 14.324 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -4.163 -2.312 15.013 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.208 -0.925 9.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -6.325 -0.987 13.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.455 0.067 9.741 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -6.992 0.035 11.662 1.00 0.00 H new ATOM 1954 N ASP A 126 0.007 -3.378 8.515 1.00 0.00 N ATOM 1955 CA ASP A 126 1.148 -3.446 7.609 1.00 0.00 C ATOM 1956 C ASP A 126 1.285 -2.153 6.812 1.00 0.00 C ATOM 1957 O ASP A 126 0.580 -1.942 5.825 1.00 0.00 O ATOM 1958 CB ASP A 126 1.000 -4.633 6.657 1.00 0.00 C ATOM 1959 CG ASP A 126 1.908 -4.522 5.448 1.00 0.00 C ATOM 1960 OD1 ASP A 126 1.528 -3.826 4.482 1.00 0.00 O ATOM 1961 OD2 ASP A 126 2.998 -5.130 5.467 1.00 0.00 O ATOM 0 H ASP A 126 -0.857 -3.052 8.082 1.00 0.00 H new ATOM 0 HA ASP A 126 2.049 -3.581 8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 126 1.225 -5.555 7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.036 -4.702 6.325 1.00 0.00 H new ATOM 1966 N SER A 127 2.197 -1.289 7.247 1.00 0.00 N ATOM 1967 CA SER A 127 2.424 -0.014 6.577 1.00 0.00 C ATOM 1968 C SER A 127 3.914 0.227 6.358 1.00 0.00 C ATOM 1969 O SER A 127 4.650 0.528 7.296 1.00 0.00 O ATOM 1970 CB SER A 127 1.826 1.131 7.397 1.00 0.00 C ATOM 1971 OG SER A 127 2.601 1.387 8.556 1.00 0.00 O ATOM 0 H SER A 127 2.791 -1.449 8.061 1.00 0.00 H new ATOM 0 HA SER A 127 1.933 -0.050 5.605 1.00 0.00 H new ATOM 0 HB2 SER A 127 1.773 2.031 6.785 1.00 0.00 H new ATOM 0 HB3 SER A 127 0.805 0.881 7.686 1.00 0.00 H new ATOM 0 HG SER A 127 3.443 0.889 8.503 1.00 0.00 H new ATOM 1977 N ASN A 128 4.352 0.091 5.110 1.00 0.00 N ATOM 1978 CA ASN A 128 5.755 0.293 4.766 1.00 0.00 C ATOM 1979 C ASN A 128 6.668 -0.332 5.816 1.00 0.00 C ATOM 1980 O ASN A 128 7.790 0.128 6.030 1.00 0.00 O ATOM 1981 CB ASN A 128 6.059 1.787 4.633 1.00 0.00 C ATOM 1982 CG ASN A 128 5.530 2.372 3.337 1.00 0.00 C ATOM 1983 OD1 ASN A 128 4.796 1.714 2.600 1.00 0.00 O ATOM 1984 ND2 ASN A 128 5.903 3.614 3.054 1.00 0.00 N ATOM 0 H ASN A 128 3.756 -0.158 4.321 1.00 0.00 H new ATOM 0 HA ASN A 128 5.943 -0.196 3.810 1.00 0.00 H new ATOM 0 HB2 ASN A 128 5.619 2.321 5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 128 7.137 1.942 4.685 1.00 0.00 H new ATOM 0 HD21 ASN A 128 5.580 4.061 2.196 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.513 4.122 3.695 1.00 0.00 H new ATOM 1991 N ARG A 129 6.180 -1.383 6.467 1.00 0.00 N ATOM 1992 CA ARG A 129 6.951 -2.071 7.495 1.00 0.00 C ATOM 1993 C ARG A 129 7.820 -1.086 8.273 1.00 0.00 C ATOM 1994 O ARG A 129 8.933 -1.413 8.680 1.00 0.00 O ATOM 1995 CB ARG A 129 7.829 -3.154 6.864 1.00 0.00 C ATOM 1996 CG ARG A 129 7.063 -4.114 5.970 1.00 0.00 C ATOM 1997 CD ARG A 129 7.940 -4.652 4.850 1.00 0.00 C ATOM 1998 NE ARG A 129 8.329 -3.605 3.909 1.00 0.00 N ATOM 1999 CZ ARG A 129 8.684 -3.842 2.651 1.00 0.00 C ATOM 2000 NH1 ARG A 129 8.698 -5.084 2.185 1.00 0.00 N ATOM 2001 NH2 ARG A 129 9.025 -2.837 1.855 1.00 0.00 N ATOM 0 H ARG A 129 5.254 -1.777 6.300 1.00 0.00 H new ATOM 0 HA ARG A 129 6.251 -2.538 8.188 1.00 0.00 H new ATOM 0 HB2 ARG A 129 8.616 -2.677 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 129 8.318 -3.721 7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 129 6.683 -4.943 6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 129 6.198 -3.605 5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 129 8.834 -5.107 5.276 1.00 0.00 H new ATOM 0 HD3 ARG A 129 7.406 -5.438 4.317 1.00 0.00 H new ATOM 0 HE ARG A 129 8.328 -2.639 4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 129 8.436 -5.860 2.793 1.00 0.00 H new ATOM 0 HH12 ARG A 129 8.971 -5.263 1.219 1.00 0.00 H new ATOM 0 HH21 ARG A 129 9.015 -1.880 2.209 1.00 0.00 H new ATOM 0 HH22 ARG A 129 9.297 -3.021 0.889 1.00 0.00 H new ATOM 2015 N GLY A 130 7.301 0.121 8.475 1.00 0.00 N ATOM 2016 CA GLY A 130 8.042 1.135 9.202 1.00 0.00 C ATOM 2017 C GLY A 130 7.159 2.274 9.672 1.00 0.00 C ATOM 2018 O GLY A 130 6.521 2.183 10.721 1.00 0.00 O ATOM 0 H GLY A 130 6.381 0.415 8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.528 0.677 10.063 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.832 1.531 8.563 1.00 0.00 H new ATOM 2022 N LYS A 131 7.122 3.351 8.895 1.00 0.00 N ATOM 2023 CA LYS A 131 6.311 4.514 9.237 1.00 0.00 C ATOM 2024 C LYS A 131 4.909 4.391 8.649 1.00 0.00 C ATOM 2025 O LYS A 131 3.949 4.101 9.363 1.00 0.00 O ATOM 2026 CB LYS A 131 6.978 5.794 8.728 1.00 0.00 C ATOM 2027 CG LYS A 131 8.014 6.360 9.684 1.00 0.00 C ATOM 2028 CD LYS A 131 7.378 7.276 10.716 1.00 0.00 C ATOM 2029 CE LYS A 131 8.410 7.811 11.697 1.00 0.00 C ATOM 2030 NZ LYS A 131 9.147 8.981 11.143 1.00 0.00 N ATOM 0 H LYS A 131 7.644 3.443 8.024 1.00 0.00 H new ATOM 0 HA LYS A 131 6.228 4.562 10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.454 5.589 7.769 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.211 6.547 8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.529 5.543 10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 131 8.767 6.912 9.121 1.00 0.00 H new ATOM 0 HD2 LYS A 131 6.888 8.109 10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 131 6.605 6.733 11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 131 7.915 8.100 12.624 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.118 7.021 11.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 9.841 9.316 11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 9.641 8.700 10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 8.475 9.745 10.929 1.00 0.00 H new ATOM 2044 N ASN A 132 4.798 4.611 7.343 1.00 0.00 N ATOM 2045 CA ASN A 132 3.513 4.524 6.659 1.00 0.00 C ATOM 2046 C ASN A 132 3.683 4.716 5.155 1.00 0.00 C ATOM 2047 O ASN A 132 4.665 5.303 4.701 1.00 0.00 O ATOM 2048 CB ASN A 132 2.545 5.572 7.212 1.00 0.00 C ATOM 2049 CG ASN A 132 3.260 6.811 7.716 1.00 0.00 C ATOM 2050 OD1 ASN A 132 3.599 7.712 6.800 1.00 0.00 O flip ATOM 2051 ND2 ASN A 132 3.505 6.957 8.913 1.00 0.00 N flip ATOM 0 H ASN A 132 5.583 4.851 6.737 1.00 0.00 H new ATOM 0 HA ASN A 132 3.102 3.530 6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 132 1.837 5.856 6.433 1.00 0.00 H new ATOM 0 HB3 ASN A 132 1.966 5.134 8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 132 3.226 6.239 9.582 1.00 0.00 H new ATOM 0 HD22 ASN A 132 3.987 7.796 9.236 1.00 0.00 H new ATOM 2058 N TYR A 133 2.719 4.219 4.388 1.00 0.00 N ATOM 2059 CA TYR A 133 2.762 4.334 2.935 1.00 0.00 C ATOM 2060 C TYR A 133 2.625 5.790 2.500 1.00 0.00 C ATOM 2061 O TYR A 133 1.533 6.357 2.525 1.00 0.00 O ATOM 2062 CB TYR A 133 1.650 3.495 2.303 1.00 0.00 C ATOM 2063 CG TYR A 133 2.025 2.043 2.106 1.00 0.00 C ATOM 2064 CD1 TYR A 133 2.787 1.644 1.015 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.617 1.071 3.011 1.00 0.00 C ATOM 2066 CE1 TYR A 133 3.131 0.319 0.830 1.00 0.00 C ATOM 2067 CE2 TYR A 133 1.958 -0.256 2.835 1.00 0.00 C ATOM 2068 CZ TYR A 133 2.715 -0.627 1.743 1.00 0.00 C ATOM 2069 OH TYR A 133 3.055 -1.948 1.564 1.00 0.00 O ATOM 0 H TYR A 133 1.898 3.733 4.748 1.00 0.00 H new ATOM 0 HA TYR A 133 3.728 3.961 2.595 1.00 0.00 H new ATOM 0 HB2 TYR A 133 0.762 3.550 2.933 1.00 0.00 H new ATOM 0 HB3 TYR A 133 1.384 3.927 1.338 1.00 0.00 H new ATOM 0 HD1 TYR A 133 3.116 2.383 0.299 1.00 0.00 H new ATOM 0 HD2 TYR A 133 1.023 1.358 3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 133 3.722 0.026 -0.025 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.634 -0.999 3.548 1.00 0.00 H new ATOM 0 HH TYR A 133 2.899 -2.442 2.396 1.00 0.00 H new ATOM 2079 N ARG A 134 3.743 6.388 2.100 1.00 0.00 N ATOM 2080 CA ARG A 134 3.750 7.778 1.660 1.00 0.00 C ATOM 2081 C ARG A 134 3.524 7.872 0.153 1.00 0.00 C ATOM 2082 O ARG A 134 4.299 7.329 -0.635 1.00 0.00 O ATOM 2083 CB ARG A 134 5.075 8.446 2.030 1.00 0.00 C ATOM 2084 CG ARG A 134 5.173 9.895 1.581 1.00 0.00 C ATOM 2085 CD ARG A 134 6.601 10.409 1.667 1.00 0.00 C ATOM 2086 NE ARG A 134 6.936 10.873 3.011 1.00 0.00 N ATOM 2087 CZ ARG A 134 8.167 11.193 3.393 1.00 0.00 C ATOM 2088 NH1 ARG A 134 9.175 11.100 2.537 1.00 0.00 N ATOM 2089 NH2 ARG A 134 8.392 11.607 4.634 1.00 0.00 N ATOM 0 H ARG A 134 4.655 5.932 2.072 1.00 0.00 H new ATOM 0 HA ARG A 134 2.936 8.297 2.166 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.206 8.400 3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 134 5.894 7.881 1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 134 4.814 9.984 0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 134 4.524 10.514 2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 134 7.290 9.616 1.375 1.00 0.00 H new ATOM 0 HD3 ARG A 134 6.736 11.226 0.958 1.00 0.00 H new ATOM 0 HE ARG A 134 6.183 10.956 3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 134 9.006 10.782 1.583 1.00 0.00 H new ATOM 0 HH12 ARG A 134 10.120 11.346 2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 134 7.619 11.680 5.295 1.00 0.00 H new ATOM 0 HH22 ARG A 134 9.338 11.852 4.926 1.00 0.00 H new ATOM 2103 N ILE A 135 2.458 8.562 -0.238 1.00 0.00 N ATOM 2104 CA ILE A 135 2.132 8.727 -1.649 1.00 0.00 C ATOM 2105 C ILE A 135 2.457 10.137 -2.128 1.00 0.00 C ATOM 2106 O ILE A 135 1.818 11.106 -1.716 1.00 0.00 O ATOM 2107 CB ILE A 135 0.644 8.435 -1.920 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.306 6.993 -1.538 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.311 8.693 -3.382 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -1.180 6.722 -1.455 1.00 0.00 C ATOM 0 H ILE A 135 1.806 9.015 0.402 1.00 0.00 H new ATOM 0 HA ILE A 135 2.741 8.010 -2.199 1.00 0.00 H new ATOM 0 HB ILE A 135 0.041 9.104 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.750 6.318 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.763 6.764 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.744 8.482 -3.558 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.518 9.736 -3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 135 0.920 8.046 -4.014 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.345 5.680 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.627 7.371 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.640 6.919 -2.423 1.00 0.00 H new ATOM 2122 N ILE A 136 3.453 10.245 -3.001 1.00 0.00 N ATOM 2123 CA ILE A 136 3.861 11.537 -3.538 1.00 0.00 C ATOM 2124 C ILE A 136 3.477 11.667 -5.008 1.00 0.00 C ATOM 2125 O ILE A 136 3.102 10.687 -5.651 1.00 0.00 O ATOM 2126 CB ILE A 136 5.379 11.752 -3.394 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.144 10.685 -4.180 1.00 0.00 C ATOM 2128 CG2 ILE A 136 5.781 11.727 -1.927 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.630 10.952 -4.273 1.00 0.00 C ATOM 0 H ILE A 136 3.992 9.453 -3.351 1.00 0.00 H new ATOM 0 HA ILE A 136 3.338 12.299 -2.960 1.00 0.00 H new ATOM 0 HB ILE A 136 5.633 12.730 -3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 136 5.986 9.715 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.731 10.621 -5.187 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.857 11.880 -1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 136 5.258 12.520 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.517 10.762 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.108 10.156 -4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 136 7.798 11.907 -4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 136 8.057 10.987 -3.271 1.00 0.00 H new ATOM 2141 N ARG A 137 3.576 12.884 -5.534 1.00 0.00 N ATOM 2142 CA ARG A 137 3.240 13.142 -6.929 1.00 0.00 C ATOM 2143 C ARG A 137 4.353 12.660 -7.855 1.00 0.00 C ATOM 2144 O ARG A 137 5.456 12.348 -7.406 1.00 0.00 O ATOM 2145 CB ARG A 137 2.992 14.636 -7.148 1.00 0.00 C ATOM 2146 CG ARG A 137 2.054 14.935 -8.306 1.00 0.00 C ATOM 2147 CD ARG A 137 1.271 16.217 -8.072 1.00 0.00 C ATOM 2148 NE ARG A 137 0.712 16.751 -9.311 1.00 0.00 N ATOM 2149 CZ ARG A 137 -0.273 17.641 -9.349 1.00 0.00 C ATOM 2150 NH1 ARG A 137 -0.805 18.095 -8.222 1.00 0.00 N ATOM 2151 NH2 ARG A 137 -0.729 18.079 -10.516 1.00 0.00 N ATOM 0 H ARG A 137 3.886 13.706 -5.015 1.00 0.00 H new ATOM 0 HA ARG A 137 2.330 12.590 -7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 137 2.577 15.064 -6.236 1.00 0.00 H new ATOM 0 HB3 ARG A 137 3.946 15.131 -7.327 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.629 15.022 -9.228 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.362 14.104 -8.439 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.465 16.025 -7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 137 1.924 16.963 -7.618 1.00 0.00 H new ATOM 0 HE ARG A 137 1.099 16.422 -10.196 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -0.458 17.761 -7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -1.561 18.779 -8.254 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -0.323 17.732 -11.385 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -1.486 18.763 -10.544 1.00 0.00 H new ATOM 2165 N ALA A 138 4.055 12.600 -9.149 1.00 0.00 N ATOM 2166 CA ALA A 138 5.030 12.157 -10.138 1.00 0.00 C ATOM 2167 C ALA A 138 6.127 13.198 -10.332 1.00 0.00 C ATOM 2168 O ALA A 138 7.289 12.855 -10.548 1.00 0.00 O ATOM 2169 CB ALA A 138 4.341 11.861 -11.462 1.00 0.00 C ATOM 0 H ALA A 138 3.146 12.853 -9.537 1.00 0.00 H new ATOM 0 HA ALA A 138 5.494 11.242 -9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 138 5.081 11.531 -12.191 1.00 0.00 H new ATOM 0 HB2 ALA A 138 3.598 11.076 -11.318 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.850 12.763 -11.826 1.00 0.00 H new ATOM 2175 N GLU A 139 5.750 14.471 -10.254 1.00 0.00 N ATOM 2176 CA GLU A 139 6.703 15.561 -10.422 1.00 0.00 C ATOM 2177 C GLU A 139 7.784 15.510 -9.347 1.00 0.00 C ATOM 2178 O GLU A 139 8.891 16.016 -9.538 1.00 0.00 O ATOM 2179 CB GLU A 139 5.983 16.910 -10.373 1.00 0.00 C ATOM 2180 CG GLU A 139 5.024 17.046 -9.202 1.00 0.00 C ATOM 2181 CD GLU A 139 4.683 18.491 -8.891 1.00 0.00 C ATOM 2182 OE1 GLU A 139 5.503 19.167 -8.235 1.00 0.00 O ATOM 2183 OE2 GLU A 139 3.596 18.945 -9.305 1.00 0.00 O ATOM 0 H GLU A 139 4.792 14.772 -10.076 1.00 0.00 H new ATOM 0 HA GLU A 139 7.178 15.446 -11.396 1.00 0.00 H new ATOM 0 HB2 GLU A 139 6.725 17.707 -10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 139 5.431 17.052 -11.302 1.00 0.00 H new ATOM 0 HG2 GLU A 139 4.107 16.500 -9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 139 5.466 16.583 -8.320 1.00 0.00 H new