USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1124 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: B 17 HIS : no HD1:sc= -0.236 X(o=-0.21,f=-0.023) USER MOD Set 1.2: B 21 GLN : amide:sc= 0.0262 X(o=-0.21,f=-0.29) USER MOD Set 2.1: A 17 HIS : no HD1:sc= -0.529 X(o=-0.84,f=-0.92) USER MOD Set 2.2: A 21 GLN : amide:sc= -0.312 X(o=-0.84,f=-0.47) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.96 X(o=-0.96,f=-1.3) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0241 USER MOD Single : A 7 SER OG : rot 12:sc= -0.884 USER MOD Single : A 8 SER OG : rot 72:sc= 0.65 USER MOD Single : A 10 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.8!) USER MOD Single : A 13 CYS SG : rot 75:sc= -0.838 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.88) USER MOD Single : A 40 GLN :FLIP amide:sc= -3.87! C(o=-5.8!,f=-3.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 88:sc= 1.28 USER MOD Single : A 53 ASN :FLIP amide:sc= 0.261 F(o=-8.7!,f=0.26) USER MOD Single : A 58 THR OG1 : rot 79:sc= 0.705 USER MOD Single : A 59 HIS :FLIP no HE2:sc= -0.0476 F(o=-0.76,f=-0.048) USER MOD Single : A 62 LYS NZ :NH3+ -142:sc= -0.728 (180deg=-1.44!) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.383 F(o=-2.8!,f=-0.38) USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0138) USER MOD Single : A 70 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.00306) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.5) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.143 USER MOD Single : B 7 SER OG : rot 6:sc= -0.904 USER MOD Single : B 8 SER OG : rot 80:sc= 0.622 USER MOD Single : B 10 GLN : amide:sc= -0.958 K(o=-0.96,f=-2.4!) USER MOD Single : B 13 CYS SG : rot 76:sc= -0.121 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 GLN : amide:sc= -0.0882 K(o=-0.088,f=-0.91) USER MOD Single : B 40 GLN :FLIP amide:sc= -3.41! C(o=-5.2!,f=-3.4!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 91:sc= 1.25 USER MOD Single : B 53 ASN :FLIP amide:sc= 0.0764 F(o=-8.1!,f=0.076) USER MOD Single : B 58 THR OG1 : rot 77:sc= 0.988 USER MOD Single : B 59 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=0.00051) USER MOD Single : B 62 LYS NZ :NH3+ -129:sc= -0.941 (180deg=-2.11!) USER MOD Single : B 63 GLN :FLIP amide:sc= -0.458 F(o=-2.6!,f=-0.46) USER MOD Single : B 67 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0189) USER MOD Single : B 70 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0063) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -7.040 6.557 17.922 1.00 0.00 N ATOM 31 CA SER A 3 -6.146 7.321 17.067 1.00 0.00 C ATOM 32 C SER A 3 -5.495 6.384 16.050 1.00 0.00 C ATOM 33 O SER A 3 -5.276 6.813 14.907 1.00 0.00 O ATOM 34 CB SER A 3 -5.075 8.047 17.884 1.00 0.00 C ATOM 35 OG SER A 3 -4.230 8.848 17.063 1.00 0.00 O ATOM 0 HA SER A 3 -6.730 8.080 16.545 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.555 8.676 18.633 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.471 7.316 18.421 1.00 0.00 H new ATOM 0 HG SER A 3 -3.561 9.296 17.621 1.00 0.00 H new ATOM 41 N ASN A 4 -5.200 5.143 16.477 1.00 0.00 N ATOM 42 CA ASN A 4 -4.579 4.157 15.609 1.00 0.00 C ATOM 43 C ASN A 4 -5.379 4.050 14.310 1.00 0.00 C ATOM 44 O ASN A 4 -4.772 3.790 13.261 1.00 0.00 O ATOM 45 CB ASN A 4 -4.561 2.776 16.268 1.00 0.00 C ATOM 46 CG ASN A 4 -3.372 2.638 17.219 1.00 0.00 C ATOM 47 OD1 ASN A 4 -2.948 3.581 17.866 1.00 0.00 O ATOM 48 ND2 ASN A 4 -2.858 1.412 17.268 1.00 0.00 N ATOM 0 H ASN A 4 -5.387 4.810 17.423 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.556 4.477 15.414 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.490 2.619 16.816 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.509 2.004 15.501 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.061 1.217 17.874 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.261 0.667 16.700 1.00 0.00 H new ATOM 55 N THR A 5 -6.707 4.251 14.403 1.00 0.00 N ATOM 56 CA THR A 5 -7.579 4.177 13.242 1.00 0.00 C ATOM 57 C THR A 5 -7.241 5.321 12.283 1.00 0.00 C ATOM 58 O THR A 5 -7.262 5.093 11.064 1.00 0.00 O ATOM 59 CB THR A 5 -9.032 4.196 13.722 1.00 0.00 C ATOM 60 OG1 THR A 5 -9.175 2.975 14.441 1.00 0.00 O ATOM 61 CG2 THR A 5 -10.031 4.070 12.569 1.00 0.00 C ATOM 0 H THR A 5 -7.189 4.465 15.276 1.00 0.00 H new ATOM 0 HA THR A 5 -7.432 3.250 12.687 1.00 0.00 H new ATOM 0 HB THR A 5 -9.223 5.120 14.268 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.088 2.906 14.789 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.047 4.089 12.964 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.895 4.901 11.877 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.863 3.130 12.044 1.00 0.00 H new ATOM 69 N VAL A 6 -6.943 6.507 12.842 1.00 0.00 N ATOM 70 CA VAL A 6 -6.603 7.672 12.041 1.00 0.00 C ATOM 71 C VAL A 6 -5.276 7.423 11.323 1.00 0.00 C ATOM 72 O VAL A 6 -5.188 7.721 10.123 1.00 0.00 O ATOM 73 CB VAL A 6 -6.583 8.923 12.921 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.248 10.167 12.096 1.00 0.00 C ATOM 75 CG2 VAL A 6 -7.912 9.096 13.659 1.00 0.00 C ATOM 0 H VAL A 6 -6.934 6.673 13.848 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.359 7.843 11.274 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.800 8.795 13.668 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.240 11.043 12.745 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.266 10.046 11.638 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.998 10.300 11.317 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.871 9.993 14.277 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.721 9.192 12.934 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.093 8.227 14.292 1.00 0.00 H new ATOM 85 N SER A 7 -4.283 6.892 12.060 1.00 0.00 N ATOM 86 CA SER A 7 -2.974 6.608 11.497 1.00 0.00 C ATOM 87 C SER A 7 -3.117 5.567 10.386 1.00 0.00 C ATOM 88 O SER A 7 -2.639 5.825 9.271 1.00 0.00 O ATOM 89 CB SER A 7 -2.001 6.111 12.568 1.00 0.00 C ATOM 90 OG SER A 7 -2.588 5.119 13.406 1.00 0.00 O ATOM 0 H SER A 7 -4.375 6.655 13.048 1.00 0.00 H new ATOM 0 HA SER A 7 -2.566 7.531 11.086 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.113 5.700 12.088 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.673 6.953 13.178 1.00 0.00 H new ATOM 0 HG SER A 7 -3.429 4.811 13.009 1.00 0.00 H new ATOM 96 N SER A 8 -3.760 4.430 10.704 1.00 0.00 N ATOM 97 CA SER A 8 -3.962 3.362 9.738 1.00 0.00 C ATOM 98 C SER A 8 -4.627 3.934 8.484 1.00 0.00 C ATOM 99 O SER A 8 -4.299 3.473 7.381 1.00 0.00 O ATOM 100 CB SER A 8 -4.813 2.233 10.321 1.00 0.00 C ATOM 101 OG SER A 8 -4.288 1.753 11.557 1.00 0.00 O ATOM 0 H SER A 8 -4.146 4.237 11.628 1.00 0.00 H new ATOM 0 HA SER A 8 -2.991 2.940 9.480 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.832 2.589 10.473 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.865 1.412 9.606 1.00 0.00 H new ATOM 0 HG SER A 8 -4.444 2.418 12.259 1.00 0.00 H new ATOM 107 N PHE A 9 -5.532 4.910 8.675 1.00 0.00 N ATOM 108 CA PHE A 9 -6.234 5.536 7.567 1.00 0.00 C ATOM 109 C PHE A 9 -5.238 6.338 6.726 1.00 0.00 C ATOM 110 O PHE A 9 -5.177 6.111 5.509 1.00 0.00 O ATOM 111 CB PHE A 9 -7.343 6.452 8.121 1.00 0.00 C ATOM 112 CG PHE A 9 -8.364 6.909 7.086 1.00 0.00 C ATOM 113 CD1 PHE A 9 -8.897 5.989 6.153 1.00 0.00 C ATOM 114 CD2 PHE A 9 -8.779 8.259 7.051 1.00 0.00 C ATOM 115 CE1 PHE A 9 -9.839 6.418 5.194 1.00 0.00 C ATOM 116 CE2 PHE A 9 -9.722 8.687 6.092 1.00 0.00 C ATOM 117 CZ PHE A 9 -10.252 7.767 5.163 1.00 0.00 C ATOM 0 H PHE A 9 -5.787 5.275 9.593 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.692 4.776 6.934 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.865 5.926 8.920 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.880 7.332 8.568 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.582 4.956 6.175 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.374 8.966 7.760 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.244 5.713 4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -10.038 9.719 6.069 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.973 8.095 4.429 1.00 0.00 H new ATOM 127 N GLN A 10 -4.491 7.244 7.380 1.00 0.00 N ATOM 128 CA GLN A 10 -3.509 8.070 6.698 1.00 0.00 C ATOM 129 C GLN A 10 -2.599 7.178 5.851 1.00 0.00 C ATOM 130 O GLN A 10 -2.257 7.580 4.730 1.00 0.00 O ATOM 131 CB GLN A 10 -2.692 8.906 7.686 1.00 0.00 C ATOM 132 CG GLN A 10 -3.171 10.358 7.702 1.00 0.00 C ATOM 133 CD GLN A 10 -3.106 10.941 9.116 1.00 0.00 C ATOM 134 OE1 GLN A 10 -2.109 10.838 9.813 1.00 0.00 O ATOM 135 NE2 GLN A 10 -4.220 11.558 9.499 1.00 0.00 N ATOM 0 H GLN A 10 -4.557 7.415 8.383 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.033 8.771 6.048 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.777 8.480 8.686 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.637 8.870 7.413 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.555 10.955 7.030 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.194 10.411 7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.018 11.608 8.866 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.276 11.981 10.425 1.00 0.00 H new ATOM 144 N VAL A 11 -2.231 6.004 6.395 1.00 0.00 N ATOM 145 CA VAL A 11 -1.370 5.066 5.695 1.00 0.00 C ATOM 146 C VAL A 11 -2.083 4.567 4.437 1.00 0.00 C ATOM 147 O VAL A 11 -1.499 4.668 3.348 1.00 0.00 O ATOM 148 CB VAL A 11 -0.954 3.935 6.636 1.00 0.00 C ATOM 149 CG1 VAL A 11 -0.496 2.706 5.847 1.00 0.00 C ATOM 150 CG2 VAL A 11 0.134 4.399 7.607 1.00 0.00 C ATOM 0 H VAL A 11 -2.524 5.692 7.321 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.451 5.557 5.374 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.827 3.651 7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.206 1.916 6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.312 2.353 5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.357 2.972 5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.411 3.575 8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.009 4.724 7.044 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.242 5.229 8.205 1.00 0.00 H new ATOM 160 N ASP A 12 -3.312 4.047 4.608 1.00 0.00 N ATOM 161 CA ASP A 12 -4.094 3.538 3.495 1.00 0.00 C ATOM 162 C ASP A 12 -4.229 4.629 2.430 1.00 0.00 C ATOM 163 O ASP A 12 -4.222 4.293 1.238 1.00 0.00 O ATOM 164 CB ASP A 12 -5.501 3.141 3.946 1.00 0.00 C ATOM 165 CG ASP A 12 -5.649 1.687 4.398 1.00 0.00 C ATOM 166 OD1 ASP A 12 -4.690 0.903 4.352 1.00 0.00 O ATOM 167 OD2 ASP A 12 -6.826 1.363 4.816 1.00 0.00 O ATOM 0 H ASP A 12 -3.775 3.974 5.514 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.582 2.662 3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.801 3.793 4.766 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.194 3.323 3.125 1.00 0.00 H new ATOM 172 N CYS A 13 -4.348 5.893 2.876 1.00 0.00 N ATOM 173 CA CYS A 13 -4.483 7.019 1.968 1.00 0.00 C ATOM 174 C CYS A 13 -3.227 7.122 1.099 1.00 0.00 C ATOM 175 O CYS A 13 -3.358 7.073 -0.133 1.00 0.00 O ATOM 176 CB CYS A 13 -4.754 8.316 2.734 1.00 0.00 C ATOM 177 SG CYS A 13 -6.478 8.546 3.257 1.00 0.00 S ATOM 0 H CYS A 13 -4.352 6.148 3.864 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.342 6.856 1.317 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.115 8.340 3.617 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.464 9.159 2.107 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.730 7.774 4.272 1.00 0.00 H new ATOM 183 N PHE A 14 -2.057 7.260 1.746 1.00 0.00 N ATOM 184 CA PHE A 14 -0.793 7.368 1.037 1.00 0.00 C ATOM 185 C PHE A 14 -0.631 6.163 0.108 1.00 0.00 C ATOM 186 O PHE A 14 -0.209 6.357 -1.042 1.00 0.00 O ATOM 187 CB PHE A 14 0.358 7.430 2.058 1.00 0.00 C ATOM 188 CG PHE A 14 1.745 7.580 1.444 1.00 0.00 C ATOM 189 CD1 PHE A 14 2.153 8.825 0.915 1.00 0.00 C ATOM 190 CD2 PHE A 14 2.632 6.479 1.408 1.00 0.00 C ATOM 191 CE1 PHE A 14 3.438 8.968 0.349 1.00 0.00 C ATOM 192 CE2 PHE A 14 3.917 6.623 0.842 1.00 0.00 C ATOM 193 CZ PHE A 14 4.320 7.868 0.312 1.00 0.00 C ATOM 0 H PHE A 14 -1.972 7.298 2.762 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.775 8.277 0.435 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.182 8.267 2.734 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.339 6.523 2.662 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.480 9.669 0.944 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.326 5.526 1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.746 9.921 -0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.592 5.781 0.814 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.303 7.978 -0.121 1.00 0.00 H new ATOM 203 N LEU A 15 -0.962 4.962 0.615 1.00 0.00 N ATOM 204 CA LEU A 15 -0.854 3.740 -0.165 1.00 0.00 C ATOM 205 C LEU A 15 -1.705 3.870 -1.429 1.00 0.00 C ATOM 206 O LEU A 15 -1.180 3.612 -2.522 1.00 0.00 O ATOM 207 CB LEU A 15 -1.208 2.525 0.694 1.00 0.00 C ATOM 208 CG LEU A 15 -0.209 2.168 1.797 1.00 0.00 C ATOM 209 CD1 LEU A 15 -0.270 0.676 2.130 1.00 0.00 C ATOM 210 CD2 LEU A 15 1.205 2.614 1.421 1.00 0.00 C ATOM 0 H LEU A 15 -1.306 4.823 1.565 1.00 0.00 H new ATOM 0 HA LEU A 15 0.175 3.583 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.180 2.702 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.319 1.661 0.038 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.488 2.711 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.450 0.449 2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.273 0.420 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.030 0.094 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.895 2.348 2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.510 2.118 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.219 3.694 1.273 1.00 0.00 H new ATOM 222 N TRP A 16 -2.981 4.259 -1.258 1.00 0.00 N ATOM 223 CA TRP A 16 -3.893 4.419 -2.378 1.00 0.00 C ATOM 224 C TRP A 16 -3.252 5.331 -3.426 1.00 0.00 C ATOM 225 O TRP A 16 -3.414 5.058 -4.624 1.00 0.00 O ATOM 226 CB TRP A 16 -5.249 4.933 -1.888 1.00 0.00 C ATOM 227 CG TRP A 16 -6.313 5.021 -2.984 1.00 0.00 C ATOM 228 CD1 TRP A 16 -7.281 4.138 -3.267 1.00 0.00 C ATOM 229 CD2 TRP A 16 -6.479 6.092 -3.936 1.00 0.00 C ATOM 230 NE1 TRP A 16 -8.055 4.561 -4.328 1.00 0.00 N ATOM 231 CE2 TRP A 16 -7.553 5.787 -4.748 1.00 0.00 C ATOM 232 CE3 TRP A 16 -5.746 7.281 -4.106 1.00 0.00 C ATOM 233 CZ2 TRP A 16 -7.990 6.618 -5.786 1.00 0.00 C ATOM 234 CZ3 TRP A 16 -6.196 8.100 -5.148 1.00 0.00 C ATOM 235 CH2 TRP A 16 -7.276 7.807 -5.973 1.00 0.00 C ATOM 0 H TRP A 16 -3.394 4.466 -0.349 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.081 3.456 -2.853 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.611 4.277 -1.096 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.114 5.920 -1.447 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.436 3.213 -2.732 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.850 4.065 -4.730 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.903 7.541 -3.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -8.832 6.356 -6.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -5.667 9.025 -5.324 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.563 8.494 -6.755 1.00 0.00 H new ATOM 246 N HIS A 17 -2.548 6.380 -2.962 1.00 0.00 N ATOM 247 CA HIS A 17 -1.889 7.320 -3.853 1.00 0.00 C ATOM 248 C HIS A 17 -0.837 6.581 -4.681 1.00 0.00 C ATOM 249 O HIS A 17 -0.967 6.556 -5.914 1.00 0.00 O ATOM 250 CB HIS A 17 -1.309 8.500 -3.071 1.00 0.00 C ATOM 251 CG HIS A 17 -0.805 9.625 -3.943 1.00 0.00 C ATOM 252 ND1 HIS A 17 0.164 10.522 -3.526 1.00 0.00 N ATOM 253 CD2 HIS A 17 -1.146 9.991 -5.212 1.00 0.00 C ATOM 254 CE1 HIS A 17 0.387 11.383 -4.507 1.00 0.00 C ATOM 255 NE2 HIS A 17 -0.425 11.052 -5.551 1.00 0.00 N ATOM 0 H HIS A 17 -2.428 6.588 -1.971 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.617 7.745 -4.544 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.074 8.889 -2.399 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.490 8.142 -2.447 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.879 9.500 -5.835 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.089 12.203 -4.484 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -0.471 11.540 -6.446 1.00 0.00 H new ATOM 263 N VAL A 18 0.168 6.002 -3.999 1.00 0.00 N ATOM 264 CA VAL A 18 1.230 5.271 -4.668 1.00 0.00 C ATOM 265 C VAL A 18 0.616 4.274 -5.653 1.00 0.00 C ATOM 266 O VAL A 18 1.138 4.153 -6.771 1.00 0.00 O ATOM 267 CB VAL A 18 2.138 4.604 -3.632 1.00 0.00 C ATOM 268 CG1 VAL A 18 3.189 3.722 -4.310 1.00 0.00 C ATOM 269 CG2 VAL A 18 2.799 5.648 -2.729 1.00 0.00 C ATOM 0 H VAL A 18 0.256 6.033 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 18 1.858 5.951 -5.243 1.00 0.00 H new ATOM 0 HB VAL A 18 1.517 3.964 -3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.821 3.260 -3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.692 2.945 -4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.804 4.332 -4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.439 5.148 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.400 6.326 -3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.030 6.216 -2.205 1.00 0.00 H new ATOM 279 N ARG A 19 -0.462 3.593 -5.227 1.00 0.00 N ATOM 280 CA ARG A 19 -1.138 2.618 -6.066 1.00 0.00 C ATOM 281 C ARG A 19 -1.618 3.301 -7.349 1.00 0.00 C ATOM 282 O ARG A 19 -1.282 2.812 -8.438 1.00 0.00 O ATOM 283 CB ARG A 19 -2.337 1.993 -5.351 1.00 0.00 C ATOM 284 CG ARG A 19 -1.881 1.023 -4.260 1.00 0.00 C ATOM 285 CD ARG A 19 -3.080 0.369 -3.570 1.00 0.00 C ATOM 286 NE ARG A 19 -2.957 0.506 -2.102 1.00 0.00 N ATOM 287 CZ ARG A 19 -3.470 -0.372 -1.215 1.00 0.00 C ATOM 288 NH1 ARG A 19 -4.137 -1.442 -1.670 1.00 0.00 N ATOM 289 NH2 ARG A 19 -3.316 -0.178 0.102 1.00 0.00 N ATOM 0 H ARG A 19 -0.876 3.708 -4.302 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.429 1.823 -6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.952 2.778 -4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.961 1.466 -6.073 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.244 0.254 -4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.279 1.556 -3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.005 0.835 -3.911 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.136 -0.685 -3.842 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.453 1.315 -1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.251 -1.583 -2.674 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.531 -2.115 -1.012 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.808 0.639 0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.707 -0.847 0.765 1.00 0.00 H new ATOM 303 N LYS A 20 -2.379 4.399 -7.198 1.00 0.00 N ATOM 304 CA LYS A 20 -2.898 5.138 -8.337 1.00 0.00 C ATOM 305 C LYS A 20 -1.752 5.454 -9.299 1.00 0.00 C ATOM 306 O LYS A 20 -1.992 5.479 -10.515 1.00 0.00 O ATOM 307 CB LYS A 20 -3.665 6.376 -7.866 1.00 0.00 C ATOM 308 CG LYS A 20 -4.222 7.160 -9.056 1.00 0.00 C ATOM 309 CD LYS A 20 -5.578 6.604 -9.493 1.00 0.00 C ATOM 310 CE LYS A 20 -5.772 6.756 -11.003 1.00 0.00 C ATOM 311 NZ LYS A 20 -6.473 8.014 -11.309 1.00 0.00 N ATOM 0 H LYS A 20 -2.643 4.786 -6.292 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.619 4.534 -8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.482 6.075 -7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.005 7.016 -7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.326 8.211 -8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.520 7.112 -9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.649 5.552 -9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.376 7.126 -8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.804 6.741 -11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.343 5.912 -11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.596 8.101 -12.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.405 8.013 -10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.914 8.817 -10.958 1.00 0.00 H new ATOM 325 N GLN A 21 -0.547 5.685 -8.747 1.00 0.00 N ATOM 326 CA GLN A 21 0.623 5.995 -9.552 1.00 0.00 C ATOM 327 C GLN A 21 1.054 4.743 -10.319 1.00 0.00 C ATOM 328 O GLN A 21 1.471 4.878 -11.479 1.00 0.00 O ATOM 329 CB GLN A 21 1.769 6.534 -8.693 1.00 0.00 C ATOM 330 CG GLN A 21 1.827 8.061 -8.753 1.00 0.00 C ATOM 331 CD GLN A 21 1.938 8.661 -7.350 1.00 0.00 C ATOM 332 OE1 GLN A 21 2.798 9.478 -7.063 1.00 0.00 O ATOM 333 NE2 GLN A 21 1.025 8.211 -6.495 1.00 0.00 N ATOM 0 H GLN A 21 -0.370 5.660 -7.743 1.00 0.00 H new ATOM 0 HA GLN A 21 0.362 6.780 -10.262 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.637 6.212 -7.660 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.715 6.117 -9.039 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.681 8.373 -9.354 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.933 8.443 -9.246 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.333 7.527 -6.801 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.016 8.550 -5.533 1.00 0.00 H new ATOM 342 N VAL A 22 0.949 3.570 -9.669 1.00 0.00 N ATOM 343 CA VAL A 22 1.325 2.311 -10.286 1.00 0.00 C ATOM 344 C VAL A 22 0.402 2.033 -11.474 1.00 0.00 C ATOM 345 O VAL A 22 0.890 1.528 -12.495 1.00 0.00 O ATOM 346 CB VAL A 22 1.309 1.192 -9.243 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.478 -0.178 -9.905 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.383 1.421 -8.177 1.00 0.00 C ATOM 0 H VAL A 22 0.604 3.481 -8.713 1.00 0.00 H new ATOM 0 HA VAL A 22 2.343 2.365 -10.671 1.00 0.00 H new ATOM 0 HB VAL A 22 0.337 1.208 -8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.463 -0.955 -9.141 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.663 -0.345 -10.609 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.429 -0.210 -10.437 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.350 0.612 -7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.365 1.445 -8.649 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.200 2.370 -7.674 1.00 0.00 H new ATOM 358 N VAL A 23 -0.893 2.364 -11.320 1.00 0.00 N ATOM 359 CA VAL A 23 -1.872 2.152 -12.372 1.00 0.00 C ATOM 360 C VAL A 23 -1.635 3.165 -13.495 1.00 0.00 C ATOM 361 O VAL A 23 -1.765 2.785 -14.668 1.00 0.00 O ATOM 362 CB VAL A 23 -3.286 2.221 -11.793 1.00 0.00 C ATOM 363 CG1 VAL A 23 -4.337 2.171 -12.904 1.00 0.00 C ATOM 364 CG2 VAL A 23 -3.516 1.106 -10.770 1.00 0.00 C ATOM 0 H VAL A 23 -1.275 2.780 -10.470 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.760 1.157 -12.803 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.389 3.175 -11.277 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.333 2.222 -12.465 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.194 3.016 -13.578 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.233 1.240 -13.461 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.529 1.179 -10.374 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.383 0.137 -11.252 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.800 1.207 -9.955 1.00 0.00 H new ATOM 374 N ASP A 24 -1.298 4.411 -13.120 1.00 0.00 N ATOM 375 CA ASP A 24 -1.046 5.465 -14.088 1.00 0.00 C ATOM 376 C ASP A 24 0.199 5.114 -14.905 1.00 0.00 C ATOM 377 O ASP A 24 0.372 5.686 -15.991 1.00 0.00 O ATOM 378 CB ASP A 24 -0.793 6.804 -13.391 1.00 0.00 C ATOM 379 CG ASP A 24 -2.051 7.605 -13.053 1.00 0.00 C ATOM 380 OD1 ASP A 24 -2.504 8.339 -14.011 1.00 0.00 O ATOM 381 OD2 ASP A 24 -2.572 7.531 -11.930 1.00 0.00 O ATOM 0 H ASP A 24 -1.196 4.702 -12.148 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.924 5.552 -14.728 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.240 6.618 -12.470 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.153 7.413 -14.029 1.00 0.00 H new ATOM 386 N GLN A 25 1.027 4.196 -14.377 1.00 0.00 N ATOM 387 CA GLN A 25 2.243 3.775 -15.052 1.00 0.00 C ATOM 388 C GLN A 25 1.904 2.685 -16.071 1.00 0.00 C ATOM 389 O GLN A 25 2.831 2.166 -16.709 1.00 0.00 O ATOM 390 CB GLN A 25 3.299 3.288 -14.058 1.00 0.00 C ATOM 391 CG GLN A 25 4.063 4.466 -13.449 1.00 0.00 C ATOM 392 CD GLN A 25 5.574 4.260 -13.569 1.00 0.00 C ATOM 393 OE1 GLN A 25 6.082 3.152 -13.515 1.00 0.00 O ATOM 394 NE2 GLN A 25 6.262 5.385 -13.732 1.00 0.00 N ATOM 0 H GLN A 25 0.865 3.736 -13.481 1.00 0.00 H new ATOM 0 HA GLN A 25 2.669 4.633 -15.571 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.820 2.712 -13.266 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.997 2.619 -14.562 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.777 5.389 -13.953 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.790 4.578 -12.400 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.774 6.280 -13.769 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.278 5.353 -13.820 1.00 0.00 H new ATOM 403 N GLU A 26 0.604 2.364 -16.198 1.00 0.00 N ATOM 404 CA GLU A 26 0.150 1.344 -17.130 1.00 0.00 C ATOM 405 C GLU A 26 0.750 -0.006 -16.733 1.00 0.00 C ATOM 406 O GLU A 26 1.310 -0.683 -17.608 1.00 0.00 O ATOM 407 CB GLU A 26 0.512 1.701 -18.573 1.00 0.00 C ATOM 408 CG GLU A 26 0.052 3.119 -18.919 1.00 0.00 C ATOM 409 CD GLU A 26 -0.378 3.214 -20.384 1.00 0.00 C ATOM 410 OE1 GLU A 26 0.357 2.553 -21.212 1.00 0.00 O ATOM 411 OE2 GLU A 26 -1.368 3.892 -20.697 1.00 0.00 O ATOM 0 H GLU A 26 -0.144 2.803 -15.661 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.937 1.284 -17.081 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.590 1.621 -18.712 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.049 0.988 -19.255 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.779 3.403 -18.273 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.861 3.824 -18.727 1.00 0.00 H new ATOM 418 N LEU A 27 0.623 -0.365 -15.443 1.00 0.00 N ATOM 419 CA LEU A 27 1.148 -1.623 -14.939 1.00 0.00 C ATOM 420 C LEU A 27 0.058 -2.344 -14.143 1.00 0.00 C ATOM 421 O LEU A 27 0.401 -3.193 -13.308 1.00 0.00 O ATOM 422 CB LEU A 27 2.434 -1.386 -14.144 1.00 0.00 C ATOM 423 CG LEU A 27 3.585 -0.730 -14.910 1.00 0.00 C ATOM 424 CD1 LEU A 27 4.442 0.131 -13.980 1.00 0.00 C ATOM 425 CD2 LEU A 27 4.418 -1.777 -15.652 1.00 0.00 C ATOM 0 H LEU A 27 0.158 0.208 -14.738 1.00 0.00 H new ATOM 0 HA LEU A 27 1.426 -2.278 -15.765 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.195 -0.762 -13.282 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.781 -2.344 -13.758 1.00 0.00 H new ATOM 0 HG LEU A 27 3.160 -0.066 -15.662 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.253 0.586 -14.549 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.826 0.914 -13.538 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.859 -0.492 -13.189 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.229 -1.284 -16.188 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.834 -2.485 -14.936 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.785 -2.309 -16.362 1.00 0.00 H new ATOM 437 N GLY A 28 -1.213 -1.997 -14.415 1.00 0.00 N ATOM 438 CA GLY A 28 -2.340 -2.607 -13.729 1.00 0.00 C ATOM 439 C GLY A 28 -2.699 -3.924 -14.420 1.00 0.00 C ATOM 440 O GLY A 28 -2.818 -3.929 -15.654 1.00 0.00 O ATOM 0 H GLY A 28 -1.474 -1.295 -15.108 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.090 -2.788 -12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.196 -1.932 -13.740 1.00 0.00 H new ATOM 444 N ASP A 29 -2.862 -4.997 -13.625 1.00 0.00 N ATOM 445 CA ASP A 29 -3.205 -6.305 -14.157 1.00 0.00 C ATOM 446 C ASP A 29 -4.725 -6.406 -14.310 1.00 0.00 C ATOM 447 O ASP A 29 -5.193 -6.568 -15.446 1.00 0.00 O ATOM 448 CB ASP A 29 -2.749 -7.420 -13.213 1.00 0.00 C ATOM 449 CG ASP A 29 -2.395 -6.964 -11.797 1.00 0.00 C ATOM 450 OD1 ASP A 29 -3.001 -6.024 -11.259 1.00 0.00 O ATOM 451 OD2 ASP A 29 -1.443 -7.625 -11.233 1.00 0.00 O ATOM 0 H ASP A 29 -2.759 -4.972 -12.611 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.705 -6.420 -15.119 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.539 -8.168 -13.151 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.879 -7.911 -13.649 1.00 0.00 H new ATOM 456 N ALA A 30 -5.450 -6.312 -13.181 1.00 0.00 N ATOM 457 CA ALA A 30 -6.901 -6.394 -13.191 1.00 0.00 C ATOM 458 C ALA A 30 -7.416 -6.415 -11.750 1.00 0.00 C ATOM 459 O ALA A 30 -8.390 -5.705 -11.461 1.00 0.00 O ATOM 460 CB ALA A 30 -7.340 -7.716 -13.822 1.00 0.00 C ATOM 0 H ALA A 30 -5.044 -6.179 -12.255 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.290 -5.541 -13.747 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.429 -7.773 -13.827 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.969 -7.772 -14.845 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.936 -8.547 -13.244 1.00 0.00 H new ATOM 466 N PRO A 31 -6.762 -7.216 -10.890 1.00 0.00 N ATOM 467 CA PRO A 31 -7.122 -7.352 -9.489 1.00 0.00 C ATOM 468 C PRO A 31 -6.683 -6.124 -8.688 1.00 0.00 C ATOM 469 O PRO A 31 -7.463 -5.661 -7.842 1.00 0.00 O ATOM 470 CB PRO A 31 -6.445 -8.633 -9.030 1.00 0.00 C ATOM 471 CG PRO A 31 -5.358 -8.919 -10.054 1.00 0.00 C ATOM 472 CD PRO A 31 -5.617 -8.040 -11.266 1.00 0.00 C ATOM 0 HA PRO A 31 -8.200 -7.410 -9.336 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.021 -8.515 -8.033 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.159 -9.455 -8.978 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.374 -8.710 -9.634 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.367 -9.972 -10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.748 -7.426 -11.502 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.834 -8.639 -12.150 1.00 0.00 H new ATOM 480 N PHE A 32 -5.463 -5.629 -8.965 1.00 0.00 N ATOM 481 CA PHE A 32 -4.929 -4.467 -8.276 1.00 0.00 C ATOM 482 C PHE A 32 -5.815 -3.254 -8.569 1.00 0.00 C ATOM 483 O PHE A 32 -6.097 -2.491 -7.634 1.00 0.00 O ATOM 484 CB PHE A 32 -3.485 -4.217 -8.748 1.00 0.00 C ATOM 485 CG PHE A 32 -2.933 -2.839 -8.404 1.00 0.00 C ATOM 486 CD1 PHE A 32 -3.105 -2.305 -7.105 1.00 0.00 C ATOM 487 CD2 PHE A 32 -2.252 -2.083 -9.386 1.00 0.00 C ATOM 488 CE1 PHE A 32 -2.596 -1.027 -6.791 1.00 0.00 C ATOM 489 CE2 PHE A 32 -1.744 -0.804 -9.070 1.00 0.00 C ATOM 490 CZ PHE A 32 -1.915 -0.277 -7.773 1.00 0.00 C ATOM 0 H PHE A 32 -4.836 -6.025 -9.665 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.919 -4.639 -7.200 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.837 -4.974 -8.307 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.442 -4.351 -9.829 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.627 -2.877 -6.352 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.120 -2.485 -10.380 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.728 -0.623 -5.798 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.224 -0.229 -9.822 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.525 0.701 -7.532 1.00 0.00 H new ATOM 500 N LEU A 33 -6.227 -3.103 -9.840 1.00 0.00 N ATOM 501 CA LEU A 33 -7.071 -1.993 -10.249 1.00 0.00 C ATOM 502 C LEU A 33 -8.439 -2.122 -9.574 1.00 0.00 C ATOM 503 O LEU A 33 -8.896 -1.137 -8.976 1.00 0.00 O ATOM 504 CB LEU A 33 -7.145 -1.910 -11.775 1.00 0.00 C ATOM 505 CG LEU A 33 -7.763 -0.634 -12.348 1.00 0.00 C ATOM 506 CD1 LEU A 33 -7.356 0.591 -11.525 1.00 0.00 C ATOM 507 CD2 LEU A 33 -7.412 -0.471 -13.828 1.00 0.00 C ATOM 0 H LEU A 33 -5.982 -3.744 -10.595 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.641 -1.047 -9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.136 -2.012 -12.174 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.719 -2.763 -12.138 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.847 -0.721 -12.281 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.809 1.485 -11.954 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.698 0.469 -10.497 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.271 0.693 -11.537 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.864 0.444 -14.210 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.329 -0.416 -13.941 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.792 -1.325 -14.388 1.00 0.00 H new ATOM 519 N ASP A 34 -9.053 -3.314 -9.681 1.00 0.00 N ATOM 520 CA ASP A 34 -10.353 -3.566 -9.084 1.00 0.00 C ATOM 521 C ASP A 34 -10.303 -3.222 -7.595 1.00 0.00 C ATOM 522 O ASP A 34 -11.246 -2.583 -7.104 1.00 0.00 O ATOM 523 CB ASP A 34 -10.743 -5.040 -9.216 1.00 0.00 C ATOM 524 CG ASP A 34 -12.121 -5.397 -8.653 1.00 0.00 C ATOM 525 OD1 ASP A 34 -12.872 -4.389 -8.368 1.00 0.00 O ATOM 526 OD2 ASP A 34 -12.458 -6.580 -8.495 1.00 0.00 O ATOM 0 H ASP A 34 -8.659 -4.112 -10.179 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.087 -2.950 -9.604 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.716 -5.315 -10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.992 -5.646 -8.709 1.00 0.00 H new ATOM 531 N ARG A 35 -9.221 -3.643 -6.916 1.00 0.00 N ATOM 532 CA ARG A 35 -9.052 -3.380 -5.497 1.00 0.00 C ATOM 533 C ARG A 35 -8.938 -1.871 -5.272 1.00 0.00 C ATOM 534 O ARG A 35 -9.502 -1.378 -4.284 1.00 0.00 O ATOM 535 CB ARG A 35 -7.803 -4.067 -4.941 1.00 0.00 C ATOM 536 CG ARG A 35 -7.988 -5.585 -4.894 1.00 0.00 C ATOM 537 CD ARG A 35 -6.640 -6.304 -4.974 1.00 0.00 C ATOM 538 NE ARG A 35 -5.563 -5.421 -4.473 1.00 0.00 N ATOM 539 CZ ARG A 35 -4.843 -5.664 -3.357 1.00 0.00 C ATOM 540 NH1 ARG A 35 -5.101 -6.769 -2.645 1.00 0.00 N ATOM 541 NH2 ARG A 35 -3.883 -4.813 -2.969 1.00 0.00 N ATOM 0 H ARG A 35 -8.455 -4.167 -7.339 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.921 -3.780 -4.974 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.941 -3.821 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.592 -3.691 -3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.499 -5.864 -3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.624 -5.903 -5.720 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.673 -7.221 -4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.434 -6.594 -6.004 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.352 -4.576 -5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.832 -7.412 -2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.566 -6.967 -1.799 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.692 -3.975 -3.518 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.343 -5.004 -2.125 1.00 0.00 H new ATOM 555 N LEU A 36 -8.222 -1.180 -6.177 1.00 0.00 N ATOM 556 CA LEU A 36 -8.038 0.259 -6.078 1.00 0.00 C ATOM 557 C LEU A 36 -9.402 0.949 -6.144 1.00 0.00 C ATOM 558 O LEU A 36 -9.623 1.894 -5.373 1.00 0.00 O ATOM 559 CB LEU A 36 -7.050 0.747 -7.138 1.00 0.00 C ATOM 560 CG LEU A 36 -6.753 2.248 -7.139 1.00 0.00 C ATOM 561 CD1 LEU A 36 -6.092 2.676 -5.826 1.00 0.00 C ATOM 562 CD2 LEU A 36 -5.916 2.641 -8.357 1.00 0.00 C ATOM 0 H LEU A 36 -7.765 -1.606 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.594 0.521 -5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.110 0.211 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.436 0.473 -8.120 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.699 2.784 -7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.891 3.747 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.759 2.452 -4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.155 2.134 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.719 3.713 -8.333 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.971 2.098 -8.339 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.460 2.392 -9.268 1.00 0.00 H new ATOM 574 N ARG A 37 -10.275 0.471 -7.049 1.00 0.00 N ATOM 575 CA ARG A 37 -11.603 1.039 -7.212 1.00 0.00 C ATOM 576 C ARG A 37 -12.394 0.853 -5.915 1.00 0.00 C ATOM 577 O ARG A 37 -12.867 1.857 -5.364 1.00 0.00 O ATOM 578 CB ARG A 37 -12.362 0.377 -8.364 1.00 0.00 C ATOM 579 CG ARG A 37 -11.821 0.845 -9.717 1.00 0.00 C ATOM 580 CD ARG A 37 -11.963 -0.252 -10.773 1.00 0.00 C ATOM 581 NE ARG A 37 -13.394 -0.507 -11.050 1.00 0.00 N ATOM 582 CZ ARG A 37 -13.874 -1.665 -11.553 1.00 0.00 C ATOM 583 NH1 ARG A 37 -13.017 -2.658 -11.825 1.00 0.00 N ATOM 584 NH2 ARG A 37 -15.186 -1.818 -11.776 1.00 0.00 N ATOM 0 H ARG A 37 -10.073 -0.309 -7.674 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.492 2.098 -7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.273 -0.707 -8.288 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.423 0.616 -8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.359 1.737 -10.039 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.772 1.124 -9.616 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.454 0.046 -11.690 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.483 -1.167 -10.426 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.060 0.239 -10.848 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.020 -2.533 -11.652 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.362 -3.539 -12.205 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.831 -1.057 -11.566 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.540 -2.696 -12.156 1.00 0.00 H new ATOM 598 N ARG A 38 -12.522 -0.407 -5.463 1.00 0.00 N ATOM 599 CA ARG A 38 -13.249 -0.718 -4.244 1.00 0.00 C ATOM 600 C ARG A 38 -12.620 0.038 -3.073 1.00 0.00 C ATOM 601 O ARG A 38 -13.349 0.378 -2.130 1.00 0.00 O ATOM 602 CB ARG A 38 -13.230 -2.218 -3.943 1.00 0.00 C ATOM 603 CG ARG A 38 -13.680 -3.027 -5.162 1.00 0.00 C ATOM 604 CD ARG A 38 -14.587 -4.187 -4.744 1.00 0.00 C ATOM 605 NE ARG A 38 -15.970 -3.941 -5.209 1.00 0.00 N ATOM 606 CZ ARG A 38 -16.878 -4.915 -5.432 1.00 0.00 C ATOM 607 NH1 ARG A 38 -16.526 -6.191 -5.227 1.00 0.00 N ATOM 608 NH2 ARG A 38 -18.113 -4.610 -5.853 1.00 0.00 N ATOM 0 H ARG A 38 -12.126 -1.221 -5.933 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.286 -0.413 -4.383 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.224 -2.521 -3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.885 -2.432 -3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.211 -2.378 -5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.808 -3.414 -5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.214 -5.121 -5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.573 -4.298 -3.660 1.00 0.00 H new ATOM 0 HE ARG A 38 -16.255 -2.975 -5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.584 -6.415 -4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -17.200 -6.939 -5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -18.373 -3.636 -6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -18.793 -5.352 -6.019 1.00 0.00 H new ATOM 622 N ASP A 39 -11.299 0.283 -3.153 1.00 0.00 N ATOM 623 CA ASP A 39 -10.582 0.991 -2.107 1.00 0.00 C ATOM 624 C ASP A 39 -10.984 2.467 -2.130 1.00 0.00 C ATOM 625 O ASP A 39 -11.074 3.070 -1.050 1.00 0.00 O ATOM 626 CB ASP A 39 -9.069 0.910 -2.324 1.00 0.00 C ATOM 627 CG ASP A 39 -8.395 -0.325 -1.724 1.00 0.00 C ATOM 628 OD1 ASP A 39 -9.011 -1.397 -1.611 1.00 0.00 O ATOM 629 OD2 ASP A 39 -7.170 -0.155 -1.360 1.00 0.00 O ATOM 0 H ASP A 39 -10.716 -0.005 -3.939 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.835 0.529 -1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.869 0.930 -3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.608 1.801 -1.897 1.00 0.00 H new ATOM 634 N GLN A 40 -11.214 3.011 -3.339 1.00 0.00 N ATOM 635 CA GLN A 40 -11.602 4.402 -3.496 1.00 0.00 C ATOM 636 C GLN A 40 -12.959 4.627 -2.824 1.00 0.00 C ATOM 637 O GLN A 40 -13.084 5.594 -2.057 1.00 0.00 O ATOM 638 CB GLN A 40 -11.646 4.810 -4.970 1.00 0.00 C ATOM 639 CG GLN A 40 -12.073 6.271 -5.121 1.00 0.00 C ATOM 640 CD GLN A 40 -10.862 7.205 -5.075 1.00 0.00 C ATOM 641 OE1 GLN A 40 -10.241 7.227 -3.898 1.00 0.00 O flip ATOM 642 NE2 GLN A 40 -10.513 7.860 -6.043 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.134 2.497 -4.216 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.853 5.031 -3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.664 4.666 -5.421 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.341 4.166 -5.509 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.603 6.403 -6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.770 6.534 -4.325 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.035 7.796 -6.917 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.699 8.472 -5.978 1.00 0.00 H new ATOM 651 N LYS A 41 -13.932 3.748 -3.121 1.00 0.00 N ATOM 652 CA LYS A 41 -15.264 3.850 -2.551 1.00 0.00 C ATOM 653 C LYS A 41 -15.165 3.803 -1.024 1.00 0.00 C ATOM 654 O LYS A 41 -15.861 4.589 -0.364 1.00 0.00 O ATOM 655 CB LYS A 41 -16.184 2.780 -3.141 1.00 0.00 C ATOM 656 CG LYS A 41 -16.742 3.223 -4.494 1.00 0.00 C ATOM 657 CD LYS A 41 -18.270 3.140 -4.510 1.00 0.00 C ATOM 658 CE LYS A 41 -18.889 4.260 -3.672 1.00 0.00 C ATOM 659 NZ LYS A 41 -20.052 4.840 -4.363 1.00 0.00 N ATOM 0 H LYS A 41 -13.808 2.960 -3.757 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.718 4.806 -2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.634 1.847 -3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.005 2.581 -2.452 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.427 4.245 -4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -16.332 2.594 -5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -18.631 3.207 -5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.589 2.172 -4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.193 3.870 -2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.146 5.035 -3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.460 5.599 -3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -19.752 5.231 -5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.767 4.101 -4.519 1.00 0.00 H new ATOM 673 N SER A 42 -14.317 2.899 -0.503 1.00 0.00 N ATOM 674 CA SER A 42 -14.132 2.753 0.930 1.00 0.00 C ATOM 675 C SER A 42 -13.438 4.001 1.480 1.00 0.00 C ATOM 676 O SER A 42 -13.791 4.433 2.587 1.00 0.00 O ATOM 677 CB SER A 42 -13.317 1.502 1.266 1.00 0.00 C ATOM 678 OG SER A 42 -13.286 1.245 2.667 1.00 0.00 O ATOM 0 H SER A 42 -13.752 2.262 -1.065 1.00 0.00 H new ATOM 0 HA SER A 42 -15.111 2.640 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.743 0.642 0.749 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.298 1.623 0.897 1.00 0.00 H new ATOM 0 HG SER A 42 -12.758 0.438 2.840 1.00 0.00 H new ATOM 684 N LEU A 43 -12.480 4.546 0.709 1.00 0.00 N ATOM 685 CA LEU A 43 -11.746 5.732 1.116 1.00 0.00 C ATOM 686 C LEU A 43 -12.710 6.916 1.208 1.00 0.00 C ATOM 687 O LEU A 43 -12.541 7.747 2.113 1.00 0.00 O ATOM 688 CB LEU A 43 -10.559 5.975 0.182 1.00 0.00 C ATOM 689 CG LEU A 43 -9.176 5.681 0.764 1.00 0.00 C ATOM 690 CD1 LEU A 43 -8.810 4.206 0.589 1.00 0.00 C ATOM 691 CD2 LEU A 43 -8.119 6.610 0.161 1.00 0.00 C ATOM 0 H LEU A 43 -12.204 4.174 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.317 5.593 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.693 5.363 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.582 7.016 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.206 5.880 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.822 4.024 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.544 3.585 1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.803 3.956 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.144 6.380 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.082 6.466 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.377 7.646 0.380 1.00 0.00 H new ATOM 703 N ARG A 44 -13.686 6.971 0.284 1.00 0.00 N ATOM 704 CA ARG A 44 -14.666 8.045 0.261 1.00 0.00 C ATOM 705 C ARG A 44 -15.582 7.919 1.480 1.00 0.00 C ATOM 706 O ARG A 44 -15.950 8.957 2.051 1.00 0.00 O ATOM 707 CB ARG A 44 -15.514 8.006 -1.011 1.00 0.00 C ATOM 708 CG ARG A 44 -14.859 8.818 -2.131 1.00 0.00 C ATOM 709 CD ARG A 44 -14.736 7.988 -3.410 1.00 0.00 C ATOM 710 NE ARG A 44 -15.982 8.091 -4.203 1.00 0.00 N ATOM 711 CZ ARG A 44 -16.017 8.241 -5.544 1.00 0.00 C ATOM 712 NH1 ARG A 44 -14.861 8.302 -6.220 1.00 0.00 N ATOM 713 NH2 ARG A 44 -17.188 8.327 -6.189 1.00 0.00 N ATOM 0 H ARG A 44 -13.808 6.277 -0.454 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.129 8.993 0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.644 6.973 -1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.508 8.403 -0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.449 9.713 -2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.871 9.152 -1.813 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.889 8.338 -4.001 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.540 6.945 -3.159 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.871 8.046 -3.704 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.974 8.235 -5.721 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.868 8.415 -7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.063 8.279 -5.667 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.205 8.440 -7.203 1.00 0.00 H new ATOM 727 N GLY A 45 -15.926 6.673 1.849 1.00 0.00 N ATOM 728 CA GLY A 45 -16.791 6.418 2.989 1.00 0.00 C ATOM 729 C GLY A 45 -16.096 6.891 4.266 1.00 0.00 C ATOM 730 O GLY A 45 -16.754 7.543 5.090 1.00 0.00 O ATOM 0 H GLY A 45 -15.612 5.832 1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.740 6.939 2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.018 5.354 3.057 1.00 0.00 H new ATOM 734 N ARG A 46 -14.798 6.561 4.404 1.00 0.00 N ATOM 735 CA ARG A 46 -14.025 6.951 5.572 1.00 0.00 C ATOM 736 C ARG A 46 -13.753 8.455 5.518 1.00 0.00 C ATOM 737 O ARG A 46 -13.766 9.095 6.580 1.00 0.00 O ATOM 738 CB ARG A 46 -12.693 6.201 5.641 1.00 0.00 C ATOM 739 CG ARG A 46 -12.909 4.735 6.022 1.00 0.00 C ATOM 740 CD ARG A 46 -11.610 4.102 6.525 1.00 0.00 C ATOM 741 NE ARG A 46 -11.910 3.076 7.549 1.00 0.00 N ATOM 742 CZ ARG A 46 -11.088 2.767 8.574 1.00 0.00 C ATOM 743 NH1 ARG A 46 -9.924 3.418 8.692 1.00 0.00 N ATOM 744 NH2 ARG A 46 -11.434 1.824 9.462 1.00 0.00 N ATOM 0 H ARG A 46 -14.273 6.024 3.714 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.604 6.699 6.461 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.188 6.259 4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.040 6.678 6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.675 4.665 6.795 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.277 4.181 5.158 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.070 3.650 5.693 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.961 4.870 6.947 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.793 2.571 7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.670 4.135 8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.291 3.196 9.461 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.324 1.335 9.366 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.808 1.596 10.234 1.00 0.00 H new ATOM 758 N GLY A 47 -13.514 8.982 4.303 1.00 0.00 N ATOM 759 CA GLY A 47 -13.241 10.396 4.117 1.00 0.00 C ATOM 760 C GLY A 47 -14.459 11.209 4.563 1.00 0.00 C ATOM 761 O GLY A 47 -14.267 12.276 5.165 1.00 0.00 O ATOM 0 H GLY A 47 -13.507 8.437 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.363 10.688 4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.016 10.600 3.070 1.00 0.00 H new ATOM 765 N SER A 48 -15.667 10.697 4.265 1.00 0.00 N ATOM 766 CA SER A 48 -16.900 11.371 4.633 1.00 0.00 C ATOM 767 C SER A 48 -17.169 11.156 6.124 1.00 0.00 C ATOM 768 O SER A 48 -17.430 12.145 6.824 1.00 0.00 O ATOM 769 CB SER A 48 -18.083 10.866 3.803 1.00 0.00 C ATOM 770 OG SER A 48 -18.882 11.937 3.308 1.00 0.00 O ATOM 0 H SER A 48 -15.803 9.816 3.769 1.00 0.00 H new ATOM 0 HA SER A 48 -16.786 12.436 4.429 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.713 10.273 2.967 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.699 10.206 4.414 1.00 0.00 H new ATOM 0 HG SER A 48 -19.625 11.575 2.782 1.00 0.00 H new ATOM 776 N THR A 49 -17.100 9.890 6.571 1.00 0.00 N ATOM 777 CA THR A 49 -17.335 9.552 7.966 1.00 0.00 C ATOM 778 C THR A 49 -16.367 10.346 8.847 1.00 0.00 C ATOM 779 O THR A 49 -16.839 11.127 9.685 1.00 0.00 O ATOM 780 CB THR A 49 -17.202 8.037 8.130 1.00 0.00 C ATOM 781 OG1 THR A 49 -18.210 7.506 7.274 1.00 0.00 O ATOM 782 CG2 THR A 49 -17.612 7.562 9.526 1.00 0.00 C ATOM 0 H THR A 49 -16.882 9.090 5.977 1.00 0.00 H new ATOM 0 HA THR A 49 -18.342 9.826 8.282 1.00 0.00 H new ATOM 0 HB THR A 49 -16.172 7.739 7.932 1.00 0.00 H new ATOM 0 HG1 THR A 49 -17.845 7.389 6.372 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.499 6.480 9.590 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.977 8.038 10.273 1.00 0.00 H new ATOM 0 HG23 THR A 49 -18.652 7.830 9.710 1.00 0.00 H new ATOM 790 N LEU A 50 -15.055 10.134 8.643 1.00 0.00 N ATOM 791 CA LEU A 50 -14.034 10.824 9.413 1.00 0.00 C ATOM 792 C LEU A 50 -14.050 12.311 9.054 1.00 0.00 C ATOM 793 O LEU A 50 -13.689 13.129 9.914 1.00 0.00 O ATOM 794 CB LEU A 50 -12.672 10.158 9.216 1.00 0.00 C ATOM 795 CG LEU A 50 -12.602 8.664 9.536 1.00 0.00 C ATOM 796 CD1 LEU A 50 -11.332 8.037 8.959 1.00 0.00 C ATOM 797 CD2 LEU A 50 -12.729 8.420 11.041 1.00 0.00 C ATOM 0 H LEU A 50 -14.687 9.486 7.946 1.00 0.00 H new ATOM 0 HA LEU A 50 -14.246 10.751 10.480 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.366 10.302 8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.943 10.677 9.838 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.449 8.172 9.057 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.308 6.975 9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.324 8.162 7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.457 8.527 9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.676 7.350 11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.917 8.927 11.562 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.685 8.809 11.393 1.00 0.00 H new ATOM 809 N GLY A 51 -14.461 12.627 7.813 1.00 0.00 N ATOM 810 CA GLY A 51 -14.522 14.003 7.349 1.00 0.00 C ATOM 811 C GLY A 51 -13.101 14.558 7.226 1.00 0.00 C ATOM 812 O GLY A 51 -12.926 15.772 7.402 1.00 0.00 O ATOM 0 H GLY A 51 -14.754 11.938 7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.029 14.052 6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.102 14.608 8.045 1.00 0.00 H new ATOM 816 N LEU A 52 -12.132 13.674 6.932 1.00 0.00 N ATOM 817 CA LEU A 52 -10.743 14.074 6.788 1.00 0.00 C ATOM 818 C LEU A 52 -10.414 14.233 5.302 1.00 0.00 C ATOM 819 O LEU A 52 -10.913 13.433 4.498 1.00 0.00 O ATOM 820 CB LEU A 52 -9.824 13.092 7.520 1.00 0.00 C ATOM 821 CG LEU A 52 -9.584 13.377 9.003 1.00 0.00 C ATOM 822 CD1 LEU A 52 -8.874 12.202 9.679 1.00 0.00 C ATOM 823 CD2 LEU A 52 -8.824 14.691 9.194 1.00 0.00 C ATOM 0 H LEU A 52 -12.298 12.677 6.791 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.575 15.043 7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.246 12.091 7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.860 13.080 7.012 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.553 13.492 9.489 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.715 12.430 10.733 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.488 11.306 9.590 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.912 12.032 9.196 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.667 14.869 10.258 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.859 14.630 8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.403 15.511 8.770 1.00 0.00 H new ATOM 835 N ASN A 53 -9.593 15.246 4.973 1.00 0.00 N ATOM 836 CA ASN A 53 -9.202 15.506 3.598 1.00 0.00 C ATOM 837 C ASN A 53 -8.257 14.401 3.123 1.00 0.00 C ATOM 838 O ASN A 53 -7.283 14.112 3.835 1.00 0.00 O ATOM 839 CB ASN A 53 -8.466 16.841 3.477 1.00 0.00 C ATOM 840 CG ASN A 53 -8.557 17.390 2.051 1.00 0.00 C ATOM 841 OD1 ASN A 53 -8.137 16.542 1.117 1.00 0.00 O flip ATOM 842 ND2 ASN A 53 -8.981 18.510 1.815 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.192 15.894 5.652 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.107 15.537 2.991 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.893 17.561 4.175 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.420 16.710 3.754 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.288 19.111 2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.029 18.845 0.853 1.00 0.00 H new ATOM 849 N ILE A 54 -8.557 13.813 1.951 1.00 0.00 N ATOM 850 CA ILE A 54 -7.740 12.751 1.390 1.00 0.00 C ATOM 851 C ILE A 54 -6.360 13.309 1.033 1.00 0.00 C ATOM 852 O ILE A 54 -5.362 12.614 1.274 1.00 0.00 O ATOM 853 CB ILE A 54 -8.458 12.086 0.214 1.00 0.00 C ATOM 854 CG1 ILE A 54 -9.404 10.986 0.700 1.00 0.00 C ATOM 855 CG2 ILE A 54 -7.455 11.565 -0.817 1.00 0.00 C ATOM 856 CD1 ILE A 54 -10.442 11.548 1.674 1.00 0.00 C ATOM 0 H ILE A 54 -9.365 14.065 1.381 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.584 11.962 2.125 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.069 12.839 -0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.908 10.532 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.831 10.198 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.992 11.097 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.859 12.395 -1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.799 10.831 -0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.102 10.746 2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.935 11.980 2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.029 12.319 1.175 1.00 0.00 H new ATOM 868 N GLU A 55 -6.332 14.533 0.475 1.00 0.00 N ATOM 869 CA GLU A 55 -5.087 15.174 0.089 1.00 0.00 C ATOM 870 C GLU A 55 -4.218 15.380 1.332 1.00 0.00 C ATOM 871 O GLU A 55 -3.013 15.098 1.262 1.00 0.00 O ATOM 872 CB GLU A 55 -5.337 16.502 -0.630 1.00 0.00 C ATOM 873 CG GLU A 55 -5.903 16.267 -2.032 1.00 0.00 C ATOM 874 CD GLU A 55 -6.002 17.582 -2.809 1.00 0.00 C ATOM 875 OE1 GLU A 55 -5.110 18.462 -2.508 1.00 0.00 O ATOM 876 OE2 GLU A 55 -6.895 17.736 -3.656 1.00 0.00 O ATOM 0 H GLU A 55 -7.166 15.089 0.286 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.564 14.526 -0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.032 17.109 -0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.405 17.063 -0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.266 15.567 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.889 15.809 -1.958 1.00 0.00 H new ATOM 883 N ALA A 56 -4.835 15.858 2.427 1.00 0.00 N ATOM 884 CA ALA A 56 -4.124 16.098 3.670 1.00 0.00 C ATOM 885 C ALA A 56 -3.676 14.760 4.262 1.00 0.00 C ATOM 886 O ALA A 56 -2.573 14.704 4.826 1.00 0.00 O ATOM 887 CB ALA A 56 -5.071 16.725 4.694 1.00 0.00 C ATOM 0 H ALA A 56 -5.829 16.083 2.464 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.277 16.752 3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.533 16.903 5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.451 17.671 4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.905 16.048 4.880 1.00 0.00 H new ATOM 893 N ALA A 57 -4.526 13.727 4.124 1.00 0.00 N ATOM 894 CA ALA A 57 -4.220 12.404 4.642 1.00 0.00 C ATOM 895 C ALA A 57 -3.013 11.834 3.892 1.00 0.00 C ATOM 896 O ALA A 57 -2.129 11.262 4.548 1.00 0.00 O ATOM 897 CB ALA A 57 -5.388 11.456 4.357 1.00 0.00 C ATOM 0 H ALA A 57 -5.429 13.795 3.655 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.028 12.488 5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.156 10.465 4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.289 11.834 4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.552 11.394 3.281 1.00 0.00 H new ATOM 903 N THR A 58 -3.000 11.999 2.558 1.00 0.00 N ATOM 904 CA THR A 58 -1.913 11.505 1.731 1.00 0.00 C ATOM 905 C THR A 58 -0.614 12.207 2.133 1.00 0.00 C ATOM 906 O THR A 58 0.439 11.553 2.118 1.00 0.00 O ATOM 907 CB THR A 58 -2.284 11.709 0.262 1.00 0.00 C ATOM 908 OG1 THR A 58 -3.414 10.864 0.067 1.00 0.00 O ATOM 909 CG2 THR A 58 -1.229 11.146 -0.693 1.00 0.00 C ATOM 0 H THR A 58 -3.738 12.474 2.039 1.00 0.00 H new ATOM 0 HA THR A 58 -1.750 10.437 1.878 1.00 0.00 H new ATOM 0 HB THR A 58 -2.419 12.773 0.068 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.214 11.299 0.428 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.542 11.317 -1.723 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.275 11.644 -0.516 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.117 10.075 -0.521 1.00 0.00 H new ATOM 917 N HIS A 59 -0.711 13.503 2.480 1.00 0.00 N ATOM 918 CA HIS A 59 0.447 14.283 2.881 1.00 0.00 C ATOM 919 C HIS A 59 1.018 13.709 4.180 1.00 0.00 C ATOM 920 O HIS A 59 2.140 13.186 4.150 1.00 0.00 O ATOM 921 CB HIS A 59 0.096 15.767 2.991 1.00 0.00 C ATOM 922 CG HIS A 59 0.055 16.490 1.666 1.00 0.00 C ATOM 923 ND1 HIS A 59 -0.483 16.122 0.468 1.00 0.00 N flip ATOM 924 CD2 HIS A 59 0.615 17.741 1.476 1.00 0.00 C flip ATOM 925 CE1 HIS A 59 -0.266 17.097 -0.406 1.00 0.00 C flip ATOM 926 NE2 HIS A 59 0.415 18.101 0.217 1.00 0.00 N flip ATOM 0 H HIS A 59 -1.588 14.023 2.487 1.00 0.00 H new ATOM 0 HA HIS A 59 1.222 14.213 2.117 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -0.875 15.865 3.476 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.826 16.255 3.637 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -0.969 15.246 0.276 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.128 18.324 2.226 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.577 17.096 -1.440 1.00 0.00 H new ATOM 934 N VAL A 60 0.246 13.818 5.276 1.00 0.00 N ATOM 935 CA VAL A 60 0.670 13.314 6.571 1.00 0.00 C ATOM 936 C VAL A 60 1.211 11.892 6.407 1.00 0.00 C ATOM 937 O VAL A 60 2.207 11.560 7.068 1.00 0.00 O ATOM 938 CB VAL A 60 -0.483 13.403 7.572 1.00 0.00 C ATOM 939 CG1 VAL A 60 -0.126 12.700 8.883 1.00 0.00 C ATOM 940 CG2 VAL A 60 -0.881 14.859 7.821 1.00 0.00 C ATOM 0 H VAL A 60 -0.676 14.254 5.278 1.00 0.00 H new ATOM 0 HA VAL A 60 1.478 13.926 6.973 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.342 12.890 7.140 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.963 12.778 9.577 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.086 11.649 8.686 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.754 13.171 9.321 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.703 14.894 8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.028 15.406 8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.197 15.315 6.883 1.00 0.00 H new ATOM 950 N GLY A 61 0.557 11.095 5.544 1.00 0.00 N ATOM 951 CA GLY A 61 0.969 9.723 5.298 1.00 0.00 C ATOM 952 C GLY A 61 2.406 9.714 4.773 1.00 0.00 C ATOM 953 O GLY A 61 3.216 8.927 5.285 1.00 0.00 O ATOM 0 H GLY A 61 -0.260 11.389 5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.901 9.140 6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.302 9.255 4.574 1.00 0.00 H new ATOM 957 N LYS A 62 2.689 10.574 3.778 1.00 0.00 N ATOM 958 CA LYS A 62 4.015 10.663 3.192 1.00 0.00 C ATOM 959 C LYS A 62 5.049 10.848 4.303 1.00 0.00 C ATOM 960 O LYS A 62 6.144 10.276 4.193 1.00 0.00 O ATOM 961 CB LYS A 62 4.057 11.759 2.124 1.00 0.00 C ATOM 962 CG LYS A 62 5.497 12.071 1.715 1.00 0.00 C ATOM 963 CD LYS A 62 6.182 10.833 1.130 1.00 0.00 C ATOM 964 CE LYS A 62 7.476 10.516 1.882 1.00 0.00 C ATOM 965 NZ LYS A 62 8.624 10.529 0.960 1.00 0.00 N ATOM 0 H LYS A 62 2.007 11.214 3.370 1.00 0.00 H new ATOM 0 HA LYS A 62 4.265 9.736 2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.488 11.442 1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.580 12.662 2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.504 12.876 0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.056 12.425 2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.507 9.979 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.401 10.999 0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.631 11.247 2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.396 9.539 2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.286 9.770 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.289 10.378 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.108 11.447 1.021 1.00 0.00 H new ATOM 979 N GLN A 63 4.689 11.630 5.336 1.00 0.00 N ATOM 980 CA GLN A 63 5.578 11.886 6.456 1.00 0.00 C ATOM 981 C GLN A 63 5.704 10.617 7.303 1.00 0.00 C ATOM 982 O GLN A 63 6.816 10.327 7.769 1.00 0.00 O ATOM 983 CB GLN A 63 5.093 13.064 7.303 1.00 0.00 C ATOM 984 CG GLN A 63 5.793 14.361 6.892 1.00 0.00 C ATOM 985 CD GLN A 63 5.343 14.810 5.501 1.00 0.00 C ATOM 986 OE1 GLN A 63 4.054 14.593 5.253 1.00 0.00 O flip ATOM 987 NE2 GLN A 63 6.114 15.322 4.705 1.00 0.00 N flip ATOM 0 H GLN A 63 3.782 12.092 5.408 1.00 0.00 H new ATOM 0 HA GLN A 63 6.559 12.158 6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.015 13.177 7.191 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.284 12.862 8.357 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.574 15.143 7.619 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.873 14.213 6.899 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.092 15.460 4.959 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.780 15.612 3.786 1.00 0.00 H new ATOM 996 N ILE A 64 4.581 9.899 7.482 1.00 0.00 N ATOM 997 CA ILE A 64 4.566 8.676 8.265 1.00 0.00 C ATOM 998 C ILE A 64 5.561 7.679 7.665 1.00 0.00 C ATOM 999 O ILE A 64 6.240 6.987 8.437 1.00 0.00 O ATOM 1000 CB ILE A 64 3.142 8.129 8.378 1.00 0.00 C ATOM 1001 CG1 ILE A 64 2.329 8.924 9.404 1.00 0.00 C ATOM 1002 CG2 ILE A 64 3.151 6.631 8.691 1.00 0.00 C ATOM 1003 CD1 ILE A 64 2.773 8.591 10.830 1.00 0.00 C ATOM 0 H ILE A 64 3.675 10.156 7.089 1.00 0.00 H new ATOM 0 HA ILE A 64 4.889 8.875 9.287 1.00 0.00 H new ATOM 0 HB ILE A 64 2.652 8.252 7.412 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.450 9.992 9.221 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.269 8.699 9.287 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.126 6.269 8.766 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.668 6.096 7.894 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.666 6.460 9.636 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.181 9.168 11.540 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.628 7.527 11.017 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.827 8.840 10.950 1.00 0.00 H new ATOM 1015 N VAL A 65 5.627 7.628 6.323 1.00 0.00 N ATOM 1016 CA VAL A 65 6.529 6.726 5.630 1.00 0.00 C ATOM 1017 C VAL A 65 7.965 7.232 5.782 1.00 0.00 C ATOM 1018 O VAL A 65 8.852 6.413 6.068 1.00 0.00 O ATOM 1019 CB VAL A 65 6.101 6.576 4.168 1.00 0.00 C ATOM 1020 CG1 VAL A 65 7.205 5.919 3.337 1.00 0.00 C ATOM 1021 CG2 VAL A 65 4.792 5.791 4.059 1.00 0.00 C ATOM 0 H VAL A 65 5.059 8.208 5.705 1.00 0.00 H new ATOM 0 HA VAL A 65 6.485 5.730 6.071 1.00 0.00 H new ATOM 0 HB VAL A 65 5.929 7.574 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.874 5.825 2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.104 6.534 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.424 4.930 3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.510 5.698 3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.927 4.798 4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.006 6.317 4.601 1.00 0.00 H new ATOM 1031 N GLU A 66 8.164 8.548 5.593 1.00 0.00 N ATOM 1032 CA GLU A 66 9.480 9.153 5.709 1.00 0.00 C ATOM 1033 C GLU A 66 10.003 8.955 7.133 1.00 0.00 C ATOM 1034 O GLU A 66 11.228 8.859 7.303 1.00 0.00 O ATOM 1035 CB GLU A 66 9.451 10.637 5.337 1.00 0.00 C ATOM 1036 CG GLU A 66 9.992 10.858 3.923 1.00 0.00 C ATOM 1037 CD GLU A 66 10.010 12.347 3.571 1.00 0.00 C ATOM 1038 OE1 GLU A 66 8.860 12.930 3.601 1.00 0.00 O ATOM 1039 OE2 GLU A 66 11.081 12.904 3.284 1.00 0.00 O ATOM 0 H GLU A 66 7.420 9.206 5.359 1.00 0.00 H new ATOM 0 HA GLU A 66 10.154 8.663 5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.430 11.012 5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.046 11.206 6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.000 10.450 3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.375 10.318 3.205 1.00 0.00 H new ATOM 1046 N LYS A 67 9.082 8.898 8.111 1.00 0.00 N ATOM 1047 CA LYS A 67 9.449 8.713 9.505 1.00 0.00 C ATOM 1048 C LYS A 67 9.936 7.278 9.714 1.00 0.00 C ATOM 1049 O LYS A 67 10.887 7.084 10.484 1.00 0.00 O ATOM 1050 CB LYS A 67 8.289 9.109 10.422 1.00 0.00 C ATOM 1051 CG LYS A 67 8.268 10.621 10.657 1.00 0.00 C ATOM 1052 CD LYS A 67 7.628 10.957 12.005 1.00 0.00 C ATOM 1053 CE LYS A 67 6.902 12.302 11.946 1.00 0.00 C ATOM 1054 NZ LYS A 67 7.865 13.401 11.764 1.00 0.00 N ATOM 0 H LYS A 67 8.078 8.979 7.950 1.00 0.00 H new ATOM 0 HA LYS A 67 10.275 9.372 9.772 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.345 8.793 9.978 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.381 8.590 11.376 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.285 11.012 10.626 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.714 11.110 9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.925 10.172 12.284 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.395 10.987 12.779 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.185 12.299 11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.335 12.456 12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.365 14.312 11.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.583 13.361 12.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.328 13.307 10.837 1.00 0.00 H new ATOM 1068 N ILE A 68 9.285 6.316 9.035 1.00 0.00 N ATOM 1069 CA ILE A 68 9.648 4.915 9.145 1.00 0.00 C ATOM 1070 C ILE A 68 10.915 4.655 8.328 1.00 0.00 C ATOM 1071 O ILE A 68 11.694 3.770 8.712 1.00 0.00 O ATOM 1072 CB ILE A 68 8.469 4.022 8.753 1.00 0.00 C ATOM 1073 CG1 ILE A 68 7.588 3.713 9.966 1.00 0.00 C ATOM 1074 CG2 ILE A 68 8.953 2.748 8.057 1.00 0.00 C ATOM 1075 CD1 ILE A 68 6.107 3.897 9.628 1.00 0.00 C ATOM 0 H ILE A 68 8.503 6.497 8.405 1.00 0.00 H new ATOM 0 HA ILE A 68 9.878 4.662 10.180 1.00 0.00 H new ATOM 0 HB ILE A 68 7.853 4.566 8.037 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.765 2.690 10.297 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.860 4.368 10.794 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.095 2.131 7.789 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.505 3.013 7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.604 2.191 8.730 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.503 3.671 10.507 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.929 4.927 9.320 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.833 3.223 8.816 1.00 0.00 H new ATOM 1087 N LEU A 69 11.092 5.416 7.233 1.00 0.00 N ATOM 1088 CA LEU A 69 12.253 5.269 6.372 1.00 0.00 C ATOM 1089 C LEU A 69 13.471 5.894 7.054 1.00 0.00 C ATOM 1090 O LEU A 69 14.588 5.402 6.833 1.00 0.00 O ATOM 1091 CB LEU A 69 11.966 5.842 4.982 1.00 0.00 C ATOM 1092 CG LEU A 69 11.213 4.920 4.020 1.00 0.00 C ATOM 1093 CD1 LEU A 69 10.760 5.683 2.774 1.00 0.00 C ATOM 1094 CD2 LEU A 69 12.053 3.692 3.667 1.00 0.00 C ATOM 0 H LEU A 69 10.437 6.138 6.933 1.00 0.00 H new ATOM 0 HA LEU A 69 12.480 4.214 6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.390 6.760 5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.914 6.119 4.522 1.00 0.00 H new ATOM 0 HG LEU A 69 10.315 4.561 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.227 5.006 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.099 6.498 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.631 6.089 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.495 3.054 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.981 4.010 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.283 3.135 4.575 1.00 0.00 H new ATOM 1106 N LYS A 70 13.238 6.948 7.857 1.00 0.00 N ATOM 1107 CA LYS A 70 14.309 7.631 8.563 1.00 0.00 C ATOM 1108 C LYS A 70 14.916 6.683 9.599 1.00 0.00 C ATOM 1109 O LYS A 70 16.108 6.830 9.905 1.00 0.00 O ATOM 1110 CB LYS A 70 13.806 8.948 9.155 1.00 0.00 C ATOM 1111 CG LYS A 70 14.962 9.920 9.393 1.00 0.00 C ATOM 1112 CD LYS A 70 15.006 10.997 8.307 1.00 0.00 C ATOM 1113 CE LYS A 70 15.195 10.372 6.923 1.00 0.00 C ATOM 1114 NZ LYS A 70 16.587 9.924 6.745 1.00 0.00 N ATOM 0 H LYS A 70 12.311 7.337 8.026 1.00 0.00 H new ATOM 0 HA LYS A 70 15.107 7.903 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.079 9.400 8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.290 8.754 10.095 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.852 10.389 10.371 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.905 9.373 9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.082 11.576 8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.821 11.691 8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.517 9.527 6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.939 11.098 6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.979 10.344 5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.156 10.224 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.611 8.887 6.669 1.00 0.00 H new ATOM 1128 N GLU A 71 14.099 5.745 10.111 1.00 0.00 N ATOM 1129 CA GLU A 71 14.553 4.785 11.102 1.00 0.00 C ATOM 1130 C GLU A 71 15.345 3.676 10.407 1.00 0.00 C ATOM 1131 O GLU A 71 16.108 2.979 11.091 1.00 0.00 O ATOM 1132 CB GLU A 71 13.383 4.205 11.900 1.00 0.00 C ATOM 1133 CG GLU A 71 12.126 5.062 11.731 1.00 0.00 C ATOM 1134 CD GLU A 71 11.020 4.607 12.687 1.00 0.00 C ATOM 1135 OE1 GLU A 71 10.903 3.406 12.971 1.00 0.00 O ATOM 1136 OE2 GLU A 71 10.269 5.552 13.141 1.00 0.00 O ATOM 0 H GLU A 71 13.120 5.641 9.846 1.00 0.00 H new ATOM 0 HA GLU A 71 15.200 5.298 11.814 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.181 3.187 11.568 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.650 4.149 12.955 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.367 6.108 11.919 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.772 4.996 10.702 1.00 0.00 H new ATOM 1199 N SER B 3 3.426 -9.161 -17.771 1.00 0.00 N ATOM 1200 CA SER B 3 4.460 -8.507 -16.987 1.00 0.00 C ATOM 1201 C SER B 3 3.806 -7.569 -15.970 1.00 0.00 C ATOM 1202 O SER B 3 4.321 -7.466 -14.847 1.00 0.00 O ATOM 1203 CB SER B 3 5.431 -7.731 -17.878 1.00 0.00 C ATOM 1204 OG SER B 3 6.485 -7.133 -17.126 1.00 0.00 O ATOM 0 HA SER B 3 5.035 -9.272 -16.465 1.00 0.00 H new ATOM 0 HB2 SER B 3 5.854 -8.403 -18.624 1.00 0.00 H new ATOM 0 HB3 SER B 3 4.887 -6.957 -18.419 1.00 0.00 H new ATOM 0 HG SER B 3 7.084 -6.648 -17.731 1.00 0.00 H new ATOM 1210 N ASN B 4 2.704 -6.914 -16.377 1.00 0.00 N ATOM 1211 CA ASN B 4 1.990 -5.995 -15.507 1.00 0.00 C ATOM 1212 C ASN B 4 1.680 -6.691 -14.181 1.00 0.00 C ATOM 1213 O ASN B 4 1.678 -6.012 -13.144 1.00 0.00 O ATOM 1214 CB ASN B 4 0.664 -5.561 -16.135 1.00 0.00 C ATOM 1215 CG ASN B 4 0.870 -4.384 -17.092 1.00 0.00 C ATOM 1216 OD1 ASN B 4 1.880 -4.266 -17.763 1.00 0.00 O ATOM 1217 ND2 ASN B 4 -0.143 -3.523 -17.115 1.00 0.00 N ATOM 0 H ASN B 4 2.297 -7.012 -17.307 1.00 0.00 H new ATOM 0 HA ASN B 4 2.620 -5.119 -15.352 1.00 0.00 H new ATOM 0 HB2 ASN B 4 0.221 -6.399 -16.673 1.00 0.00 H new ATOM 0 HB3 ASN B 4 -0.039 -5.278 -15.351 1.00 0.00 H new ATOM 0 HD21 ASN B 4 -0.102 -2.704 -17.721 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -0.961 -3.682 -16.527 1.00 0.00 H new ATOM 1224 N THR B 5 1.427 -8.011 -14.239 1.00 0.00 N ATOM 1225 CA THR B 5 1.118 -8.789 -13.051 1.00 0.00 C ATOM 1226 C THR B 5 2.348 -8.833 -12.142 1.00 0.00 C ATOM 1227 O THR B 5 2.180 -8.738 -10.917 1.00 0.00 O ATOM 1228 CB THR B 5 0.634 -10.174 -13.484 1.00 0.00 C ATOM 1229 OG1 THR B 5 -0.589 -9.915 -14.168 1.00 0.00 O ATOM 1230 CG2 THR B 5 0.221 -11.047 -12.299 1.00 0.00 C ATOM 0 H THR B 5 1.433 -8.552 -15.104 1.00 0.00 H new ATOM 0 HA THR B 5 0.316 -8.332 -12.471 1.00 0.00 H new ATOM 0 HB THR B 5 1.422 -10.675 -14.045 1.00 0.00 H new ATOM 0 HG1 THR B 5 -0.972 -10.760 -14.485 1.00 0.00 H new ATOM 0 HG21 THR B 5 -0.114 -12.019 -12.662 1.00 0.00 H new ATOM 0 HG22 THR B 5 1.073 -11.183 -11.633 1.00 0.00 H new ATOM 0 HG23 THR B 5 -0.591 -10.563 -11.756 1.00 0.00 H new ATOM 1238 N VAL B 6 3.541 -8.973 -12.749 1.00 0.00 N ATOM 1239 CA VAL B 6 4.784 -9.029 -11.999 1.00 0.00 C ATOM 1240 C VAL B 6 5.021 -7.682 -11.312 1.00 0.00 C ATOM 1241 O VAL B 6 5.382 -7.681 -10.126 1.00 0.00 O ATOM 1242 CB VAL B 6 5.933 -9.440 -12.922 1.00 0.00 C ATOM 1243 CG1 VAL B 6 7.250 -9.536 -12.149 1.00 0.00 C ATOM 1244 CG2 VAL B 6 5.620 -10.755 -13.636 1.00 0.00 C ATOM 0 H VAL B 6 3.658 -9.049 -13.759 1.00 0.00 H new ATOM 0 HA VAL B 6 4.725 -9.787 -11.217 1.00 0.00 H new ATOM 0 HB VAL B 6 6.045 -8.666 -13.681 1.00 0.00 H new ATOM 0 HG11 VAL B 6 8.050 -9.830 -12.828 1.00 0.00 H new ATOM 0 HG12 VAL B 6 7.485 -8.567 -11.709 1.00 0.00 H new ATOM 0 HG13 VAL B 6 7.154 -10.280 -11.358 1.00 0.00 H new ATOM 0 HG21 VAL B 6 6.453 -11.024 -14.285 1.00 0.00 H new ATOM 0 HG22 VAL B 6 5.467 -11.542 -12.898 1.00 0.00 H new ATOM 0 HG23 VAL B 6 4.717 -10.638 -14.235 1.00 0.00 H new ATOM 1254 N SER B 7 4.819 -6.582 -12.058 1.00 0.00 N ATOM 1255 CA SER B 7 5.009 -5.244 -11.524 1.00 0.00 C ATOM 1256 C SER B 7 4.025 -5.013 -10.375 1.00 0.00 C ATOM 1257 O SER B 7 4.474 -4.645 -9.280 1.00 0.00 O ATOM 1258 CB SER B 7 4.821 -4.178 -12.605 1.00 0.00 C ATOM 1259 OG SER B 7 3.667 -4.424 -13.404 1.00 0.00 O ATOM 0 H SER B 7 4.523 -6.605 -13.034 1.00 0.00 H new ATOM 0 HA SER B 7 6.031 -5.161 -11.155 1.00 0.00 H new ATOM 0 HB2 SER B 7 4.735 -3.198 -12.136 1.00 0.00 H new ATOM 0 HB3 SER B 7 5.704 -4.149 -13.243 1.00 0.00 H new ATOM 0 HG SER B 7 3.167 -5.180 -13.032 1.00 0.00 H new ATOM 1265 N SER B 8 2.724 -5.230 -10.642 1.00 0.00 N ATOM 1266 CA SER B 8 1.691 -5.048 -9.638 1.00 0.00 C ATOM 1267 C SER B 8 2.054 -5.851 -8.388 1.00 0.00 C ATOM 1268 O SER B 8 1.748 -5.387 -7.279 1.00 0.00 O ATOM 1269 CB SER B 8 0.318 -5.472 -10.163 1.00 0.00 C ATOM 1270 OG SER B 8 0.027 -4.888 -11.430 1.00 0.00 O ATOM 0 H SER B 8 2.375 -5.532 -11.551 1.00 0.00 H new ATOM 0 HA SER B 8 1.632 -3.988 -9.390 1.00 0.00 H new ATOM 0 HB2 SER B 8 0.282 -6.558 -10.248 1.00 0.00 H new ATOM 0 HB3 SER B 8 -0.450 -5.182 -9.445 1.00 0.00 H new ATOM 0 HG SER B 8 0.488 -5.389 -12.135 1.00 0.00 H new ATOM 1276 N PHE B 9 2.687 -7.021 -8.586 1.00 0.00 N ATOM 1277 CA PHE B 9 3.085 -7.878 -7.482 1.00 0.00 C ATOM 1278 C PHE B 9 4.186 -7.185 -6.676 1.00 0.00 C ATOM 1279 O PHE B 9 4.042 -7.081 -5.449 1.00 0.00 O ATOM 1280 CB PHE B 9 3.581 -9.226 -8.040 1.00 0.00 C ATOM 1281 CG PHE B 9 3.707 -10.334 -7.003 1.00 0.00 C ATOM 1282 CD1 PHE B 9 2.688 -10.535 -6.044 1.00 0.00 C ATOM 1283 CD2 PHE B 9 4.851 -11.166 -6.991 1.00 0.00 C ATOM 1284 CE1 PHE B 9 2.811 -11.560 -5.082 1.00 0.00 C ATOM 1285 CE2 PHE B 9 4.973 -12.191 -6.029 1.00 0.00 C ATOM 1286 CZ PHE B 9 3.952 -12.389 -5.074 1.00 0.00 C ATOM 0 H PHE B 9 2.929 -7.385 -9.507 1.00 0.00 H new ATOM 0 HA PHE B 9 2.236 -8.064 -6.824 1.00 0.00 H new ATOM 0 HB2 PHE B 9 2.896 -9.554 -8.822 1.00 0.00 H new ATOM 0 HB3 PHE B 9 4.553 -9.074 -8.510 1.00 0.00 H new ATOM 0 HD1 PHE B 9 1.813 -9.902 -6.048 1.00 0.00 H new ATOM 0 HD2 PHE B 9 5.633 -11.016 -7.720 1.00 0.00 H new ATOM 0 HE1 PHE B 9 2.030 -11.710 -4.351 1.00 0.00 H new ATOM 0 HE2 PHE B 9 5.848 -12.824 -6.023 1.00 0.00 H new ATOM 0 HZ PHE B 9 4.045 -13.174 -4.338 1.00 0.00 H new ATOM 1296 N GLN B 10 5.246 -6.733 -7.370 1.00 0.00 N ATOM 1297 CA GLN B 10 6.358 -6.057 -6.722 1.00 0.00 C ATOM 1298 C GLN B 10 5.824 -4.896 -5.883 1.00 0.00 C ATOM 1299 O GLN B 10 6.349 -4.674 -4.781 1.00 0.00 O ATOM 1300 CB GLN B 10 7.390 -5.570 -7.742 1.00 0.00 C ATOM 1301 CG GLN B 10 8.618 -6.481 -7.758 1.00 0.00 C ATOM 1302 CD GLN B 10 9.124 -6.694 -9.187 1.00 0.00 C ATOM 1303 OE1 GLN B 10 9.412 -5.759 -9.916 1.00 0.00 O ATOM 1304 NE2 GLN B 10 9.216 -7.971 -9.543 1.00 0.00 N ATOM 0 H GLN B 10 5.345 -6.829 -8.381 1.00 0.00 H new ATOM 0 HA GLN B 10 6.867 -6.766 -6.070 1.00 0.00 H new ATOM 0 HB2 GLN B 10 6.940 -5.543 -8.735 1.00 0.00 H new ATOM 0 HB3 GLN B 10 7.692 -4.551 -7.501 1.00 0.00 H new ATOM 0 HG2 GLN B 10 9.409 -6.042 -7.150 1.00 0.00 H new ATOM 0 HG3 GLN B 10 8.368 -7.443 -7.310 1.00 0.00 H new ATOM 0 HE21 GLN B 10 8.958 -8.704 -8.883 1.00 0.00 H new ATOM 0 HE22 GLN B 10 9.544 -8.218 -10.477 1.00 0.00 H new ATOM 1313 N VAL B 11 4.810 -4.187 -6.410 1.00 0.00 N ATOM 1314 CA VAL B 11 4.214 -3.060 -5.713 1.00 0.00 C ATOM 1315 C VAL B 11 3.553 -3.553 -4.425 1.00 0.00 C ATOM 1316 O VAL B 11 3.860 -3.005 -3.357 1.00 0.00 O ATOM 1317 CB VAL B 11 3.243 -2.326 -6.641 1.00 0.00 C ATOM 1318 CG1 VAL B 11 2.241 -1.494 -5.838 1.00 0.00 C ATOM 1319 CG2 VAL B 11 3.998 -1.454 -7.646 1.00 0.00 C ATOM 0 H VAL B 11 4.393 -4.384 -7.320 1.00 0.00 H new ATOM 0 HA VAL B 11 4.980 -2.338 -5.429 1.00 0.00 H new ATOM 0 HB VAL B 11 2.684 -3.075 -7.201 1.00 0.00 H new ATOM 0 HG11 VAL B 11 1.563 -0.983 -6.521 1.00 0.00 H new ATOM 0 HG12 VAL B 11 1.669 -2.149 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL B 11 2.777 -0.757 -5.240 1.00 0.00 H new ATOM 0 HG21 VAL B 11 3.285 -0.944 -8.293 1.00 0.00 H new ATOM 0 HG22 VAL B 11 4.595 -0.716 -7.111 1.00 0.00 H new ATOM 0 HG23 VAL B 11 4.653 -2.081 -8.251 1.00 0.00 H new ATOM 1329 N ASP B 12 2.673 -4.563 -4.549 1.00 0.00 N ATOM 1330 CA ASP B 12 1.977 -5.123 -3.403 1.00 0.00 C ATOM 1331 C ASP B 12 3.002 -5.576 -2.361 1.00 0.00 C ATOM 1332 O ASP B 12 2.714 -5.460 -1.161 1.00 0.00 O ATOM 1333 CB ASP B 12 1.142 -6.340 -3.806 1.00 0.00 C ATOM 1334 CG ASP B 12 -0.301 -6.029 -4.210 1.00 0.00 C ATOM 1335 OD1 ASP B 12 -0.744 -4.873 -4.156 1.00 0.00 O ATOM 1336 OD2 ASP B 12 -0.988 -7.048 -4.600 1.00 0.00 O ATOM 0 H ASP B 12 2.435 -5.001 -5.439 1.00 0.00 H new ATOM 0 HA ASP B 12 1.320 -4.353 -2.998 1.00 0.00 H new ATOM 0 HB2 ASP B 12 1.636 -6.842 -4.638 1.00 0.00 H new ATOM 0 HB3 ASP B 12 1.127 -7.043 -2.973 1.00 0.00 H new ATOM 1341 N CYS B 13 4.158 -6.077 -2.832 1.00 0.00 N ATOM 1342 CA CYS B 13 5.212 -6.541 -1.947 1.00 0.00 C ATOM 1343 C CYS B 13 5.731 -5.367 -1.116 1.00 0.00 C ATOM 1344 O CYS B 13 5.674 -5.448 0.120 1.00 0.00 O ATOM 1345 CB CYS B 13 6.335 -7.221 -2.736 1.00 0.00 C ATOM 1346 SG CYS B 13 5.993 -8.939 -3.219 1.00 0.00 S ATOM 0 H CYS B 13 4.375 -6.166 -3.825 1.00 0.00 H new ATOM 0 HA CYS B 13 4.807 -7.292 -1.269 1.00 0.00 H new ATOM 0 HB2 CYS B 13 6.533 -6.638 -3.635 1.00 0.00 H new ATOM 0 HB3 CYS B 13 7.245 -7.201 -2.136 1.00 0.00 H new ATOM 0 HG CYS B 13 5.153 -8.952 -4.211 1.00 0.00 H new ATOM 1352 N PHE B 14 6.216 -4.314 -1.798 1.00 0.00 N ATOM 1353 CA PHE B 14 6.737 -3.135 -1.127 1.00 0.00 C ATOM 1354 C PHE B 14 5.672 -2.580 -0.179 1.00 0.00 C ATOM 1355 O PHE B 14 6.023 -2.215 0.953 1.00 0.00 O ATOM 1356 CB PHE B 14 7.133 -2.084 -2.181 1.00 0.00 C ATOM 1357 CG PHE B 14 7.727 -0.803 -1.609 1.00 0.00 C ATOM 1358 CD1 PHE B 14 9.062 -0.788 -1.142 1.00 0.00 C ATOM 1359 CD2 PHE B 14 6.952 0.379 -1.547 1.00 0.00 C ATOM 1360 CE1 PHE B 14 9.615 0.398 -0.616 1.00 0.00 C ATOM 1361 CE2 PHE B 14 7.507 1.564 -1.021 1.00 0.00 C ATOM 1362 CZ PHE B 14 8.838 1.574 -0.554 1.00 0.00 C ATOM 0 H PHE B 14 6.253 -4.267 -2.816 1.00 0.00 H new ATOM 0 HA PHE B 14 7.621 -3.394 -0.544 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.855 -2.529 -2.865 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.252 -1.829 -2.769 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.659 -1.687 -1.188 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.933 0.374 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE B 14 10.635 0.406 -0.260 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.912 2.465 -0.976 1.00 0.00 H new ATOM 0 HZ PHE B 14 9.262 2.481 -0.149 1.00 0.00 H new ATOM 1372 N LEU B 15 4.414 -2.530 -0.651 1.00 0.00 N ATOM 1373 CA LEU B 15 3.311 -2.024 0.148 1.00 0.00 C ATOM 1374 C LEU B 15 3.201 -2.845 1.434 1.00 0.00 C ATOM 1375 O LEU B 15 3.187 -2.244 2.519 1.00 0.00 O ATOM 1376 CB LEU B 15 2.022 -1.994 -0.675 1.00 0.00 C ATOM 1377 CG LEU B 15 1.962 -0.947 -1.790 1.00 0.00 C ATOM 1378 CD1 LEU B 15 0.517 -0.532 -2.074 1.00 0.00 C ATOM 1379 CD2 LEU B 15 2.849 0.255 -1.462 1.00 0.00 C ATOM 0 H LEU B 15 4.147 -2.838 -1.586 1.00 0.00 H new ATOM 0 HA LEU B 15 3.497 -0.991 0.443 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.875 -2.978 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.186 -1.823 0.003 1.00 0.00 H new ATOM 0 HG LEU B 15 2.354 -1.397 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.502 0.213 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.058 -1.405 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.076 -0.108 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.788 0.984 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU B 15 2.511 0.714 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.882 -0.075 -1.348 1.00 0.00 H new ATOM 1391 N TRP B 16 3.124 -4.180 1.291 1.00 0.00 N ATOM 1392 CA TRP B 16 3.016 -5.072 2.433 1.00 0.00 C ATOM 1393 C TRP B 16 4.113 -4.734 3.444 1.00 0.00 C ATOM 1394 O TRP B 16 3.832 -4.766 4.652 1.00 0.00 O ATOM 1395 CB TRP B 16 3.056 -6.531 1.972 1.00 0.00 C ATOM 1396 CG TRP B 16 2.850 -7.545 3.099 1.00 0.00 C ATOM 1397 CD1 TRP B 16 1.720 -8.178 3.444 1.00 0.00 C ATOM 1398 CD2 TRP B 16 3.854 -8.022 4.021 1.00 0.00 C ATOM 1399 NE1 TRP B 16 1.922 -9.023 4.516 1.00 0.00 N ATOM 1400 CE2 TRP B 16 3.259 -8.925 4.878 1.00 0.00 C ATOM 1401 CE3 TRP B 16 5.218 -7.699 4.126 1.00 0.00 C ATOM 1402 CZ2 TRP B 16 3.953 -9.581 5.901 1.00 0.00 C ATOM 1403 CZ3 TRP B 16 5.898 -8.363 5.155 1.00 0.00 C ATOM 1404 CH2 TRP B 16 5.314 -9.276 6.026 1.00 0.00 C ATOM 0 H TRP B 16 3.136 -4.655 0.388 1.00 0.00 H new ATOM 0 HA TRP B 16 2.057 -4.933 2.933 1.00 0.00 H new ATOM 0 HB2 TRP B 16 2.287 -6.683 1.215 1.00 0.00 H new ATOM 0 HB3 TRP B 16 4.016 -6.724 1.494 1.00 0.00 H new ATOM 0 HD1 TRP B 16 0.771 -8.044 2.946 1.00 0.00 H new ATOM 0 HE1 TRP B 16 1.218 -9.612 4.961 1.00 0.00 H new ATOM 0 HE3 TRP B 16 5.703 -6.995 3.466 1.00 0.00 H new ATOM 0 HZ2 TRP B 16 3.465 -10.285 6.559 1.00 0.00 H new ATOM 0 HZ3 TRP B 16 6.949 -8.151 5.281 1.00 0.00 H new ATOM 0 HH2 TRP B 16 5.907 -9.748 6.795 1.00 0.00 H new ATOM 1415 N HIS B 17 5.321 -4.422 2.941 1.00 0.00 N ATOM 1416 CA HIS B 17 6.446 -4.083 3.794 1.00 0.00 C ATOM 1417 C HIS B 17 6.106 -2.832 4.607 1.00 0.00 C ATOM 1418 O HIS B 17 6.070 -2.924 5.844 1.00 0.00 O ATOM 1419 CB HIS B 17 7.728 -3.925 2.974 1.00 0.00 C ATOM 1420 CG HIS B 17 8.980 -3.794 3.809 1.00 0.00 C ATOM 1421 ND1 HIS B 17 10.125 -3.169 3.348 1.00 0.00 N ATOM 1422 CD2 HIS B 17 9.252 -4.211 5.079 1.00 0.00 C ATOM 1423 CE1 HIS B 17 11.041 -3.216 4.306 1.00 0.00 C ATOM 1424 NE2 HIS B 17 10.497 -3.862 5.377 1.00 0.00 N ATOM 0 H HIS B 17 5.531 -4.401 1.943 1.00 0.00 H new ATOM 0 HA HIS B 17 6.634 -4.896 4.495 1.00 0.00 H new ATOM 0 HB2 HIS B 17 7.833 -4.786 2.313 1.00 0.00 H new ATOM 0 HB3 HIS B 17 7.634 -3.045 2.338 1.00 0.00 H new ATOM 0 HD2 HIS B 17 8.570 -4.736 5.731 1.00 0.00 H new ATOM 0 HE1 HIS B 17 12.042 -2.814 4.248 1.00 0.00 H new ATOM 0 HE2 HIS B 17 10.970 -4.047 6.262 1.00 0.00 H new ATOM 1432 N VAL B 18 5.865 -1.708 3.910 1.00 0.00 N ATOM 1433 CA VAL B 18 5.530 -0.453 4.563 1.00 0.00 C ATOM 1434 C VAL B 18 4.416 -0.696 5.584 1.00 0.00 C ATOM 1435 O VAL B 18 4.494 -0.134 6.686 1.00 0.00 O ATOM 1436 CB VAL B 18 5.162 0.599 3.516 1.00 0.00 C ATOM 1437 CG1 VAL B 18 4.682 1.890 4.182 1.00 0.00 C ATOM 1438 CG2 VAL B 18 6.337 0.872 2.575 1.00 0.00 C ATOM 0 H VAL B 18 5.899 -1.654 2.892 1.00 0.00 H new ATOM 0 HA VAL B 18 6.390 -0.064 5.107 1.00 0.00 H new ATOM 0 HB VAL B 18 4.340 0.204 2.919 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.427 2.622 3.415 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.802 1.680 4.791 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.474 2.289 4.815 1.00 0.00 H new ATOM 0 HG21 VAL B 18 6.048 1.624 1.841 1.00 0.00 H new ATOM 0 HG22 VAL B 18 7.188 1.236 3.151 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.614 -0.049 2.062 1.00 0.00 H new ATOM 1448 N ARG B 19 3.418 -1.514 5.204 1.00 0.00 N ATOM 1449 CA ARG B 19 2.302 -1.826 6.080 1.00 0.00 C ATOM 1450 C ARG B 19 2.830 -2.477 7.360 1.00 0.00 C ATOM 1451 O ARG B 19 2.506 -1.984 8.450 1.00 0.00 O ATOM 1452 CB ARG B 19 1.305 -2.771 5.407 1.00 0.00 C ATOM 1453 CG ARG B 19 0.527 -2.054 4.302 1.00 0.00 C ATOM 1454 CD ARG B 19 -0.500 -2.988 3.659 1.00 0.00 C ATOM 1455 NE ARG B 19 -0.286 -3.045 2.196 1.00 0.00 N ATOM 1456 CZ ARG B 19 -1.270 -3.242 1.294 1.00 0.00 C ATOM 1457 NH1 ARG B 19 -2.529 -3.398 1.730 1.00 0.00 N ATOM 1458 NH2 ARG B 19 -0.994 -3.282 -0.016 1.00 0.00 N ATOM 0 H ARG B 19 3.373 -1.966 4.291 1.00 0.00 H new ATOM 0 HA ARG B 19 1.784 -0.896 6.312 1.00 0.00 H new ATOM 0 HB2 ARG B 19 1.836 -3.625 4.987 1.00 0.00 H new ATOM 0 HB3 ARG B 19 0.610 -3.161 6.151 1.00 0.00 H new ATOM 0 HG2 ARG B 19 0.021 -1.182 4.716 1.00 0.00 H new ATOM 0 HG3 ARG B 19 1.219 -1.691 3.542 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.413 -3.987 4.087 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -1.509 -2.636 3.874 1.00 0.00 H new ATOM 0 HE ARG B 19 0.665 -2.928 1.847 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -2.730 -3.367 2.729 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -3.285 -3.548 1.062 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -0.034 -3.163 -0.339 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -1.744 -3.431 -0.691 1.00 0.00 H new ATOM 1472 N LYS B 20 3.619 -3.557 7.204 1.00 0.00 N ATOM 1473 CA LYS B 20 4.183 -4.267 8.339 1.00 0.00 C ATOM 1474 C LYS B 20 4.888 -3.269 9.260 1.00 0.00 C ATOM 1475 O LYS B 20 4.896 -3.496 10.479 1.00 0.00 O ATOM 1476 CB LYS B 20 5.086 -5.407 7.862 1.00 0.00 C ATOM 1477 CG LYS B 20 5.664 -6.180 9.048 1.00 0.00 C ATOM 1478 CD LYS B 20 4.705 -7.282 9.505 1.00 0.00 C ATOM 1479 CE LYS B 20 4.816 -7.515 11.013 1.00 0.00 C ATOM 1480 NZ LYS B 20 5.783 -8.587 11.300 1.00 0.00 N ATOM 0 H LYS B 20 3.873 -3.948 6.297 1.00 0.00 H new ATOM 0 HA LYS B 20 3.394 -4.739 8.924 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.517 -6.084 7.224 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.897 -5.004 7.256 1.00 0.00 H new ATOM 0 HG2 LYS B 20 6.622 -6.619 8.768 1.00 0.00 H new ATOM 0 HG3 LYS B 20 5.857 -5.495 9.874 1.00 0.00 H new ATOM 0 HD2 LYS B 20 3.681 -7.007 9.250 1.00 0.00 H new ATOM 0 HD3 LYS B 20 4.928 -8.207 8.973 1.00 0.00 H new ATOM 0 HE2 LYS B 20 5.127 -6.595 11.507 1.00 0.00 H new ATOM 0 HE3 LYS B 20 3.840 -7.780 11.419 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 5.846 -8.732 12.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 5.470 -9.468 10.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 6.718 -8.320 10.930 1.00 0.00 H new ATOM 1494 N GLN B 21 5.457 -2.202 8.670 1.00 0.00 N ATOM 1495 CA GLN B 21 6.156 -1.182 9.433 1.00 0.00 C ATOM 1496 C GLN B 21 5.138 -0.350 10.217 1.00 0.00 C ATOM 1497 O GLN B 21 5.441 0.030 11.357 1.00 0.00 O ATOM 1498 CB GLN B 21 7.012 -0.292 8.529 1.00 0.00 C ATOM 1499 CG GLN B 21 8.473 -0.745 8.538 1.00 0.00 C ATOM 1500 CD GLN B 21 9.042 -0.790 7.118 1.00 0.00 C ATOM 1501 OE1 GLN B 21 10.085 -0.231 6.822 1.00 0.00 O ATOM 1502 NE2 GLN B 21 8.300 -1.483 6.260 1.00 0.00 N ATOM 0 H GLN B 21 5.440 -2.034 7.664 1.00 0.00 H new ATOM 0 HA GLN B 21 6.835 -1.671 10.131 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.624 -0.322 7.511 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.946 0.743 8.864 1.00 0.00 H new ATOM 0 HG2 GLN B 21 9.065 -0.064 9.149 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.549 -1.731 8.995 1.00 0.00 H new ATOM 0 HE21 GLN B 21 7.437 -1.926 6.574 1.00 0.00 H new ATOM 0 HE22 GLN B 21 8.594 -1.571 5.287 1.00 0.00 H new ATOM 1511 N VAL B 22 3.973 -0.088 9.601 1.00 0.00 N ATOM 1512 CA VAL B 22 2.924 0.691 10.236 1.00 0.00 C ATOM 1513 C VAL B 22 2.392 -0.073 11.450 1.00 0.00 C ATOM 1514 O VAL B 22 2.083 0.572 12.464 1.00 0.00 O ATOM 1515 CB VAL B 22 1.833 1.030 9.218 1.00 0.00 C ATOM 1516 CG1 VAL B 22 0.610 1.640 9.906 1.00 0.00 C ATOM 1517 CG2 VAL B 22 2.369 1.959 8.128 1.00 0.00 C ATOM 0 H VAL B 22 3.744 -0.410 8.661 1.00 0.00 H new ATOM 0 HA VAL B 22 3.319 1.641 10.596 1.00 0.00 H new ATOM 0 HB VAL B 22 1.520 0.101 8.742 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.150 1.871 9.159 1.00 0.00 H new ATOM 0 HG12 VAL B 22 0.206 0.929 10.627 1.00 0.00 H new ATOM 0 HG13 VAL B 22 0.901 2.555 10.422 1.00 0.00 H new ATOM 0 HG21 VAL B 22 1.573 2.184 7.418 1.00 0.00 H new ATOM 0 HG22 VAL B 22 2.723 2.885 8.581 1.00 0.00 H new ATOM 0 HG23 VAL B 22 3.193 1.471 7.607 1.00 0.00 H new ATOM 1527 N VAL B 23 2.297 -1.409 11.327 1.00 0.00 N ATOM 1528 CA VAL B 23 1.807 -2.249 12.406 1.00 0.00 C ATOM 1529 C VAL B 23 2.872 -2.337 13.502 1.00 0.00 C ATOM 1530 O VAL B 23 2.506 -2.299 14.685 1.00 0.00 O ATOM 1531 CB VAL B 23 1.397 -3.618 11.859 1.00 0.00 C ATOM 1532 CG1 VAL B 23 1.023 -4.572 12.995 1.00 0.00 C ATOM 1533 CG2 VAL B 23 0.252 -3.486 10.854 1.00 0.00 C ATOM 0 H VAL B 23 2.557 -1.920 10.484 1.00 0.00 H new ATOM 0 HA VAL B 23 0.914 -1.813 12.854 1.00 0.00 H new ATOM 0 HB VAL B 23 2.255 -4.041 11.335 1.00 0.00 H new ATOM 0 HG11 VAL B 23 0.735 -5.538 12.579 1.00 0.00 H new ATOM 0 HG12 VAL B 23 1.879 -4.702 13.657 1.00 0.00 H new ATOM 0 HG13 VAL B 23 0.188 -4.157 13.559 1.00 0.00 H new ATOM 0 HG21 VAL B 23 -0.020 -4.473 10.481 1.00 0.00 H new ATOM 0 HG22 VAL B 23 -0.610 -3.032 11.343 1.00 0.00 H new ATOM 0 HG23 VAL B 23 0.569 -2.858 10.021 1.00 0.00 H new ATOM 1543 N ASP B 24 4.149 -2.451 13.092 1.00 0.00 N ATOM 1544 CA ASP B 24 5.253 -2.543 14.032 1.00 0.00 C ATOM 1545 C ASP B 24 5.356 -1.237 14.822 1.00 0.00 C ATOM 1546 O ASP B 24 5.979 -1.242 15.893 1.00 0.00 O ATOM 1547 CB ASP B 24 6.580 -2.762 13.303 1.00 0.00 C ATOM 1548 CG ASP B 24 6.927 -4.223 13.013 1.00 0.00 C ATOM 1549 OD1 ASP B 24 7.506 -4.848 13.981 1.00 0.00 O ATOM 1550 OD2 ASP B 24 6.656 -4.739 11.918 1.00 0.00 O ATOM 0 H ASP B 24 4.430 -2.481 12.112 1.00 0.00 H new ATOM 0 HA ASP B 24 5.062 -3.387 14.694 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.553 -2.217 12.359 1.00 0.00 H new ATOM 0 HB3 ASP B 24 7.381 -2.326 13.900 1.00 0.00 H new ATOM 1555 N GLN B 25 4.753 -0.160 14.285 1.00 0.00 N ATOM 1556 CA GLN B 25 4.778 1.139 14.935 1.00 0.00 C ATOM 1557 C GLN B 25 3.662 1.203 15.980 1.00 0.00 C ATOM 1558 O GLN B 25 3.498 2.262 16.603 1.00 0.00 O ATOM 1559 CB GLN B 25 4.645 2.277 13.921 1.00 0.00 C ATOM 1560 CG GLN B 25 5.995 2.599 13.277 1.00 0.00 C ATOM 1561 CD GLN B 25 6.296 4.097 13.352 1.00 0.00 C ATOM 1562 OE1 GLN B 25 5.412 4.936 13.307 1.00 0.00 O ATOM 1563 NE2 GLN B 25 7.589 4.384 13.470 1.00 0.00 N ATOM 0 H GLN B 25 4.245 -0.176 13.401 1.00 0.00 H new ATOM 0 HA GLN B 25 5.742 1.264 15.429 1.00 0.00 H new ATOM 0 HB2 GLN B 25 3.927 1.999 13.149 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.253 3.166 14.416 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.784 2.040 13.780 1.00 0.00 H new ATOM 0 HG3 GLN B 25 5.991 2.277 12.236 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.277 3.632 13.502 1.00 0.00 H new ATOM 0 HE22 GLN B 25 7.892 5.356 13.529 1.00 0.00 H new ATOM 1572 N GLU B 26 2.930 0.088 16.148 1.00 0.00 N ATOM 1573 CA GLU B 26 1.842 0.018 17.109 1.00 0.00 C ATOM 1574 C GLU B 26 0.753 1.017 16.712 1.00 0.00 C ATOM 1575 O GLU B 26 0.330 1.801 17.574 1.00 0.00 O ATOM 1576 CB GLU B 26 2.334 0.280 18.534 1.00 0.00 C ATOM 1577 CG GLU B 26 3.532 -0.608 18.872 1.00 0.00 C ATOM 1578 CD GLU B 26 3.519 -1.008 20.349 1.00 0.00 C ATOM 1579 OE1 GLU B 26 3.154 -0.076 21.163 1.00 0.00 O ATOM 1580 OE2 GLU B 26 3.845 -2.156 20.683 1.00 0.00 O ATOM 0 H GLU B 26 3.081 -0.774 15.624 1.00 0.00 H new ATOM 0 HA GLU B 26 1.428 -0.990 17.097 1.00 0.00 H new ATOM 0 HB2 GLU B 26 2.613 1.328 18.639 1.00 0.00 H new ATOM 0 HB3 GLU B 26 1.526 0.092 19.242 1.00 0.00 H new ATOM 0 HG2 GLU B 26 3.513 -1.502 18.249 1.00 0.00 H new ATOM 0 HG3 GLU B 26 4.457 -0.079 18.643 1.00 0.00 H new ATOM 1587 N LEU B 27 0.327 0.969 15.437 1.00 0.00 N ATOM 1588 CA LEU B 27 -0.702 1.863 14.935 1.00 0.00 C ATOM 1589 C LEU B 27 -1.751 1.049 14.175 1.00 0.00 C ATOM 1590 O LEU B 27 -2.414 1.616 13.294 1.00 0.00 O ATOM 1591 CB LEU B 27 -0.078 2.988 14.107 1.00 0.00 C ATOM 1592 CG LEU B 27 0.943 3.867 14.832 1.00 0.00 C ATOM 1593 CD1 LEU B 27 2.017 4.370 13.865 1.00 0.00 C ATOM 1594 CD2 LEU B 27 0.253 5.015 15.570 1.00 0.00 C ATOM 0 H LEU B 27 0.688 0.314 14.743 1.00 0.00 H new ATOM 0 HA LEU B 27 -1.216 2.355 15.761 1.00 0.00 H new ATOM 0 HB2 LEU B 27 0.406 2.546 13.236 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -0.879 3.627 13.736 1.00 0.00 H new ATOM 0 HG LEU B 27 1.446 3.258 15.584 1.00 0.00 H new ATOM 0 HD11 LEU B 27 2.730 4.992 14.405 1.00 0.00 H new ATOM 0 HD12 LEU B 27 2.538 3.519 13.425 1.00 0.00 H new ATOM 0 HD13 LEU B 27 1.549 4.957 13.075 1.00 0.00 H new ATOM 0 HD21 LEU B 27 1.002 5.624 16.077 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -0.293 5.631 14.855 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -0.442 4.609 16.305 1.00 0.00 H new ATOM 1606 N GLY B 28 -1.880 -0.243 14.524 1.00 0.00 N ATOM 1607 CA GLY B 28 -2.839 -1.124 13.879 1.00 0.00 C ATOM 1608 C GLY B 28 -4.183 -1.025 14.604 1.00 0.00 C ATOM 1609 O GLY B 28 -4.191 -1.088 15.843 1.00 0.00 O ATOM 0 H GLY B 28 -1.325 -0.691 15.253 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -2.957 -0.848 12.831 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -2.477 -2.152 13.899 1.00 0.00 H new ATOM 1613 N ASP B 29 -5.274 -0.873 13.832 1.00 0.00 N ATOM 1614 CA ASP B 29 -6.608 -0.768 14.398 1.00 0.00 C ATOM 1615 C ASP B 29 -7.193 -2.169 14.582 1.00 0.00 C ATOM 1616 O ASP B 29 -7.446 -2.558 15.732 1.00 0.00 O ATOM 1617 CB ASP B 29 -7.540 0.016 13.470 1.00 0.00 C ATOM 1618 CG ASP B 29 -7.035 0.177 12.034 1.00 0.00 C ATOM 1619 OD1 ASP B 29 -6.349 -0.704 11.496 1.00 0.00 O ATOM 1620 OD2 ASP B 29 -7.377 1.279 11.457 1.00 0.00 O ATOM 0 H ASP B 29 -5.246 -0.821 12.814 1.00 0.00 H new ATOM 0 HA ASP B 29 -6.528 -0.248 15.353 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -8.508 -0.484 13.445 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -7.703 1.006 13.895 1.00 0.00 H new ATOM 1625 N ALA B 30 -7.394 -2.889 13.463 1.00 0.00 N ATOM 1626 CA ALA B 30 -7.944 -4.233 13.501 1.00 0.00 C ATOM 1627 C ALA B 30 -8.161 -4.731 12.070 1.00 0.00 C ATOM 1628 O ALA B 30 -7.813 -5.887 11.789 1.00 0.00 O ATOM 1629 CB ALA B 30 -9.323 -4.207 14.160 1.00 0.00 C ATOM 0 H ALA B 30 -7.179 -2.551 12.525 1.00 0.00 H new ATOM 0 HA ALA B 30 -7.254 -4.873 14.051 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -9.733 -5.217 14.187 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -9.233 -3.825 15.177 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -9.988 -3.561 13.587 1.00 0.00 H new ATOM 1635 N PRO B 31 -8.721 -3.863 11.210 1.00 0.00 N ATOM 1636 CA PRO B 31 -8.996 -4.178 9.817 1.00 0.00 C ATOM 1637 C PRO B 31 -7.709 -4.174 8.991 1.00 0.00 C ATOM 1638 O PRO B 31 -7.530 -5.087 8.172 1.00 0.00 O ATOM 1639 CB PRO B 31 -9.996 -3.126 9.366 1.00 0.00 C ATOM 1640 CG PRO B 31 -9.891 -1.992 10.373 1.00 0.00 C ATOM 1641 CD PRO B 31 -9.120 -2.508 11.577 1.00 0.00 C ATOM 0 HA PRO B 31 -9.406 -5.179 9.684 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -9.768 -2.777 8.359 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -11.007 -3.533 9.341 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -9.381 -1.136 9.932 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -10.883 -1.653 10.671 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -8.252 -1.883 11.788 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -9.740 -2.507 12.474 1.00 0.00 H new ATOM 1649 N PHE B 32 -6.851 -3.163 9.218 1.00 0.00 N ATOM 1650 CA PHE B 32 -5.594 -3.044 8.499 1.00 0.00 C ATOM 1651 C PHE B 32 -4.731 -4.276 8.782 1.00 0.00 C ATOM 1652 O PHE B 32 -4.136 -4.809 7.834 1.00 0.00 O ATOM 1653 CB PHE B 32 -4.873 -1.757 8.946 1.00 0.00 C ATOM 1654 CG PHE B 32 -3.401 -1.687 8.560 1.00 0.00 C ATOM 1655 CD1 PHE B 32 -2.993 -1.986 7.240 1.00 0.00 C ATOM 1656 CD2 PHE B 32 -2.432 -1.327 9.527 1.00 0.00 C ATOM 1657 CE1 PHE B 32 -1.628 -1.924 6.888 1.00 0.00 C ATOM 1658 CE2 PHE B 32 -1.068 -1.266 9.173 1.00 0.00 C ATOM 1659 CZ PHE B 32 -0.666 -1.564 7.854 1.00 0.00 C ATOM 0 H PHE B 32 -7.017 -2.421 9.898 1.00 0.00 H new ATOM 0 HA PHE B 32 -5.778 -2.987 7.426 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.389 -0.899 8.515 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -4.956 -1.668 10.029 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.728 -2.263 6.499 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -2.738 -1.099 10.537 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.320 -2.152 5.878 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -0.331 -0.991 9.913 1.00 0.00 H new ATOM 0 HZ PHE B 32 0.379 -1.516 7.584 1.00 0.00 H new ATOM 1669 N LEU B 33 -4.681 -4.696 10.059 1.00 0.00 N ATOM 1670 CA LEU B 33 -3.898 -5.852 10.459 1.00 0.00 C ATOM 1671 C LEU B 33 -4.487 -7.109 9.814 1.00 0.00 C ATOM 1672 O LEU B 33 -3.724 -7.868 9.198 1.00 0.00 O ATOM 1673 CB LEU B 33 -3.801 -5.932 11.985 1.00 0.00 C ATOM 1674 CG LEU B 33 -2.784 -6.930 12.541 1.00 0.00 C ATOM 1675 CD1 LEU B 33 -1.519 -6.960 11.681 1.00 0.00 C ATOM 1676 CD2 LEU B 33 -2.473 -6.634 14.009 1.00 0.00 C ATOM 0 H LEU B 33 -5.179 -4.243 10.825 1.00 0.00 H new ATOM 0 HA LEU B 33 -2.872 -5.760 10.102 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.554 -4.941 12.366 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.785 -6.188 12.379 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.224 -7.926 12.500 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -0.812 -7.677 12.098 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -1.777 -7.255 10.664 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -1.065 -5.969 11.667 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -1.747 -7.358 14.380 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -2.061 -5.629 14.098 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -3.389 -6.704 14.596 1.00 0.00 H new ATOM 1688 N ASP B 34 -5.809 -7.300 9.964 1.00 0.00 N ATOM 1689 CA ASP B 34 -6.490 -8.453 9.399 1.00 0.00 C ATOM 1690 C ASP B 34 -6.183 -8.538 7.903 1.00 0.00 C ATOM 1691 O ASP B 34 -5.914 -9.647 7.419 1.00 0.00 O ATOM 1692 CB ASP B 34 -8.006 -8.334 9.566 1.00 0.00 C ATOM 1693 CG ASP B 34 -8.810 -9.524 9.039 1.00 0.00 C ATOM 1694 OD1 ASP B 34 -8.112 -10.570 8.752 1.00 0.00 O ATOM 1695 OD2 ASP B 34 -10.042 -9.456 8.910 1.00 0.00 O ATOM 0 H ASP B 34 -6.419 -6.662 10.475 1.00 0.00 H new ATOM 0 HA ASP B 34 -6.139 -9.342 9.923 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -8.231 -8.203 10.625 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -8.343 -7.432 9.055 1.00 0.00 H new ATOM 1700 N ARG B 35 -6.230 -7.385 7.212 1.00 0.00 N ATOM 1701 CA ARG B 35 -5.960 -7.332 5.786 1.00 0.00 C ATOM 1702 C ARG B 35 -4.502 -7.722 5.532 1.00 0.00 C ATOM 1703 O ARG B 35 -4.246 -8.435 4.550 1.00 0.00 O ATOM 1704 CB ARG B 35 -6.212 -5.934 5.217 1.00 0.00 C ATOM 1705 CG ARG B 35 -7.706 -5.605 5.211 1.00 0.00 C ATOM 1706 CD ARG B 35 -7.935 -4.093 5.273 1.00 0.00 C ATOM 1707 NE ARG B 35 -6.765 -3.380 4.714 1.00 0.00 N ATOM 1708 CZ ARG B 35 -6.794 -2.653 3.577 1.00 0.00 C ATOM 1709 NH1 ARG B 35 -7.944 -2.559 2.896 1.00 0.00 N ATOM 1710 NH2 ARG B 35 -5.690 -2.036 3.136 1.00 0.00 N ATOM 0 H ARG B 35 -6.454 -6.482 7.630 1.00 0.00 H new ATOM 0 HA ARG B 35 -6.634 -8.029 5.289 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -5.676 -5.194 5.811 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -5.819 -5.874 4.202 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -8.167 -6.010 4.310 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -8.191 -6.085 6.061 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.833 -3.830 4.714 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.100 -3.784 6.305 1.00 0.00 H new ATOM 0 HE ARG B 35 -5.881 -3.442 5.220 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.780 -3.033 3.239 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -7.984 -2.014 2.035 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -4.819 -2.113 3.660 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -5.721 -1.489 2.276 1.00 0.00 H new ATOM 1724 N LEU B 36 -3.593 -7.258 6.407 1.00 0.00 N ATOM 1725 CA LEU B 36 -2.178 -7.558 6.278 1.00 0.00 C ATOM 1726 C LEU B 36 -1.971 -9.071 6.369 1.00 0.00 C ATOM 1727 O LEU B 36 -1.172 -9.604 5.584 1.00 0.00 O ATOM 1728 CB LEU B 36 -1.366 -6.764 7.305 1.00 0.00 C ATOM 1729 CG LEU B 36 0.148 -6.990 7.283 1.00 0.00 C ATOM 1730 CD1 LEU B 36 0.745 -6.563 5.941 1.00 0.00 C ATOM 1731 CD2 LEU B 36 0.823 -6.286 8.461 1.00 0.00 C ATOM 0 H LEU B 36 -3.826 -6.673 7.210 1.00 0.00 H new ATOM 0 HA LEU B 36 -1.810 -7.243 5.301 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -1.557 -5.702 7.148 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.736 -7.011 8.300 1.00 0.00 H new ATOM 0 HG LEU B 36 0.337 -8.058 7.395 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.822 -6.734 5.951 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.292 -7.147 5.139 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.547 -5.504 5.775 1.00 0.00 H new ATOM 0 HD21 LEU B 36 1.898 -6.462 8.423 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.628 -5.215 8.405 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.424 -6.679 9.396 1.00 0.00 H new ATOM 1743 N ARG B 37 -2.682 -9.721 7.306 1.00 0.00 N ATOM 1744 CA ARG B 37 -2.577 -11.158 7.494 1.00 0.00 C ATOM 1745 C ARG B 37 -3.042 -11.870 6.221 1.00 0.00 C ATOM 1746 O ARG B 37 -2.262 -12.660 5.670 1.00 0.00 O ATOM 1747 CB ARG B 37 -3.425 -11.636 8.675 1.00 0.00 C ATOM 1748 CG ARG B 37 -2.776 -11.252 10.006 1.00 0.00 C ATOM 1749 CD ARG B 37 -3.836 -11.001 11.080 1.00 0.00 C ATOM 1750 NE ARG B 37 -4.546 -12.261 11.395 1.00 0.00 N ATOM 1751 CZ ARG B 37 -5.786 -12.320 11.924 1.00 0.00 C ATOM 1752 NH1 ARG B 37 -6.434 -11.177 12.188 1.00 0.00 N ATOM 1753 NH2 ARG B 37 -6.361 -13.503 12.180 1.00 0.00 N ATOM 0 H ARG B 37 -3.335 -9.262 7.942 1.00 0.00 H new ATOM 0 HA ARG B 37 -1.534 -11.395 7.706 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -4.421 -11.199 8.613 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -3.548 -12.718 8.625 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -2.105 -12.048 10.331 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -2.168 -10.357 9.874 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -3.367 -10.604 11.980 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -4.546 -10.251 10.733 1.00 0.00 H new ATOM 0 HE ARG B 37 -4.068 -13.140 11.200 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -5.989 -10.281 11.989 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -7.372 -11.203 12.588 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -5.861 -14.368 11.975 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -7.299 -13.538 12.580 1.00 0.00 H new ATOM 1767 N ARG B 38 -4.280 -11.580 5.787 1.00 0.00 N ATOM 1768 CA ARG B 38 -4.840 -12.188 4.591 1.00 0.00 C ATOM 1769 C ARG B 38 -3.945 -11.862 3.394 1.00 0.00 C ATOM 1770 O ARG B 38 -3.880 -12.683 2.466 1.00 0.00 O ATOM 1771 CB ARG B 38 -6.257 -11.684 4.312 1.00 0.00 C ATOM 1772 CG ARG B 38 -7.150 -11.850 5.543 1.00 0.00 C ATOM 1773 CD ARG B 38 -8.542 -12.347 5.146 1.00 0.00 C ATOM 1774 NE ARG B 38 -8.737 -13.735 5.621 1.00 0.00 N ATOM 1775 CZ ARG B 38 -9.944 -14.290 5.862 1.00 0.00 C ATOM 1776 NH1 ARG B 38 -11.048 -13.554 5.667 1.00 0.00 N ATOM 1777 NH2 ARG B 38 -10.038 -15.556 6.291 1.00 0.00 N ATOM 0 H ARG B 38 -4.906 -10.925 6.256 1.00 0.00 H new ATOM 0 HA ARG B 38 -4.889 -13.265 4.750 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -6.223 -10.634 4.022 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -6.683 -12.233 3.472 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -6.692 -12.555 6.237 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -7.235 -10.898 6.066 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -9.305 -11.697 5.574 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -8.657 -12.305 4.063 1.00 0.00 H new ATOM 0 HE ARG B 38 -7.908 -14.308 5.776 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -10.968 -12.591 5.341 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -11.968 -13.958 5.844 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -9.193 -16.109 6.438 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -10.954 -15.967 6.470 1.00 0.00 H new ATOM 1791 N ASP B 39 -3.284 -10.692 3.436 1.00 0.00 N ATOM 1792 CA ASP B 39 -2.402 -10.267 2.361 1.00 0.00 C ATOM 1793 C ASP B 39 -1.142 -11.134 2.367 1.00 0.00 C ATOM 1794 O ASP B 39 -0.631 -11.440 1.280 1.00 0.00 O ATOM 1795 CB ASP B 39 -1.974 -8.809 2.546 1.00 0.00 C ATOM 1796 CG ASP B 39 -2.922 -7.776 1.934 1.00 0.00 C ATOM 1797 OD1 ASP B 39 -4.136 -8.004 1.831 1.00 0.00 O ATOM 1798 OD2 ASP B 39 -2.359 -6.680 1.547 1.00 0.00 O ATOM 0 H ASP B 39 -3.351 -10.030 4.209 1.00 0.00 H new ATOM 0 HA ASP B 39 -2.943 -10.369 1.420 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -1.879 -8.606 3.613 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -0.985 -8.678 2.107 1.00 0.00 H new ATOM 1803 N GLN B 40 -0.673 -11.507 3.572 1.00 0.00 N ATOM 1804 CA GLN B 40 0.516 -12.330 3.715 1.00 0.00 C ATOM 1805 C GLN B 40 0.267 -13.693 3.067 1.00 0.00 C ATOM 1806 O GLN B 40 1.117 -14.137 2.282 1.00 0.00 O ATOM 1807 CB GLN B 40 0.918 -12.485 5.182 1.00 0.00 C ATOM 1808 CG GLN B 40 2.160 -13.369 5.319 1.00 0.00 C ATOM 1809 CD GLN B 40 3.439 -12.531 5.250 1.00 0.00 C ATOM 1810 OE1 GLN B 40 3.641 -11.950 4.071 1.00 0.00 O flip ATOM 1811 NE2 GLN B 40 4.192 -12.420 6.204 1.00 0.00 N flip ATOM 0 H GLN B 40 -1.109 -11.245 4.456 1.00 0.00 H new ATOM 0 HA GLN B 40 1.346 -11.837 3.209 1.00 0.00 H new ATOM 0 HB2 GLN B 40 1.116 -11.504 5.614 1.00 0.00 H new ATOM 0 HB3 GLN B 40 0.093 -12.921 5.745 1.00 0.00 H new ATOM 0 HG2 GLN B 40 2.125 -13.908 6.266 1.00 0.00 H new ATOM 0 HG3 GLN B 40 2.168 -14.117 4.526 1.00 0.00 H new ATOM 0 HE21 GLN B 40 3.977 -12.894 7.081 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.037 -11.854 6.124 1.00 0.00 H new ATOM 1820 N LYS B 41 -0.875 -14.321 3.403 1.00 0.00 N ATOM 1821 CA LYS B 41 -1.229 -15.620 2.858 1.00 0.00 C ATOM 1822 C LYS B 41 -1.275 -15.533 1.332 1.00 0.00 C ATOM 1823 O LYS B 41 -0.782 -16.460 0.672 1.00 0.00 O ATOM 1824 CB LYS B 41 -2.529 -16.128 3.485 1.00 0.00 C ATOM 1825 CG LYS B 41 -2.263 -16.794 4.835 1.00 0.00 C ATOM 1826 CD LYS B 41 -2.852 -18.206 4.877 1.00 0.00 C ATOM 1827 CE LYS B 41 -2.027 -19.169 4.021 1.00 0.00 C ATOM 1828 NZ LYS B 41 -1.852 -20.455 4.715 1.00 0.00 N ATOM 0 H LYS B 41 -1.562 -13.938 4.052 1.00 0.00 H new ATOM 0 HA LYS B 41 -0.470 -16.359 3.112 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -3.223 -15.297 3.616 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -3.007 -16.840 2.812 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -1.189 -16.839 5.017 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -2.697 -16.192 5.633 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -2.880 -18.562 5.907 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -3.881 -18.186 4.519 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -2.523 -19.330 3.064 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -1.053 -18.730 3.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -1.290 -21.097 4.120 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -1.359 -20.298 5.617 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -2.783 -20.880 4.899 1.00 0.00 H new ATOM 1842 N SER B 42 -1.857 -14.439 0.808 1.00 0.00 N ATOM 1843 CA SER B 42 -1.964 -14.236 -0.626 1.00 0.00 C ATOM 1844 C SER B 42 -0.569 -14.013 -1.212 1.00 0.00 C ATOM 1845 O SER B 42 -0.303 -14.520 -2.312 1.00 0.00 O ATOM 1846 CB SER B 42 -2.874 -13.052 -0.958 1.00 0.00 C ATOM 1847 OG SER B 42 -3.138 -12.956 -2.355 1.00 0.00 O ATOM 0 H SER B 42 -2.258 -13.687 1.368 1.00 0.00 H new ATOM 0 HA SER B 42 -2.410 -15.127 -1.068 1.00 0.00 H new ATOM 0 HB2 SER B 42 -3.815 -13.155 -0.418 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.408 -12.129 -0.613 1.00 0.00 H new ATOM 0 HG SER B 42 -3.723 -12.189 -2.525 1.00 0.00 H new ATOM 1853 N LEU B 43 0.281 -13.272 -0.478 1.00 0.00 N ATOM 1854 CA LEU B 43 1.635 -12.986 -0.922 1.00 0.00 C ATOM 1855 C LEU B 43 2.428 -14.292 -0.995 1.00 0.00 C ATOM 1856 O LEU B 43 3.245 -14.436 -1.917 1.00 0.00 O ATOM 1857 CB LEU B 43 2.278 -11.924 -0.029 1.00 0.00 C ATOM 1858 CG LEU B 43 2.415 -10.527 -0.640 1.00 0.00 C ATOM 1859 CD1 LEU B 43 1.146 -9.703 -0.413 1.00 0.00 C ATOM 1860 CD2 LEU B 43 3.662 -9.817 -0.110 1.00 0.00 C ATOM 0 H LEU B 43 0.042 -12.865 0.426 1.00 0.00 H new ATOM 0 HA LEU B 43 1.626 -12.561 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.691 -11.843 0.886 1.00 0.00 H new ATOM 0 HB3 LEU B 43 3.270 -12.272 0.259 1.00 0.00 H new ATOM 0 HG LEU B 43 2.540 -10.636 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU B 43 1.269 -8.715 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU B 43 0.298 -10.206 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU B 43 0.965 -9.600 0.657 1.00 0.00 H new ATOM 0 HD21 LEU B 43 3.736 -8.827 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU B 43 3.592 -9.719 0.973 1.00 0.00 H new ATOM 0 HD23 LEU B 43 4.548 -10.398 -0.365 1.00 0.00 H new ATOM 1872 N ARG B 44 2.179 -15.202 -0.037 1.00 0.00 N ATOM 1873 CA ARG B 44 2.866 -16.482 0.007 1.00 0.00 C ATOM 1874 C ARG B 44 2.407 -17.343 -1.172 1.00 0.00 C ATOM 1875 O ARG B 44 3.243 -18.062 -1.738 1.00 0.00 O ATOM 1876 CB ARG B 44 2.587 -17.228 1.314 1.00 0.00 C ATOM 1877 CG ARG B 44 3.603 -16.844 2.392 1.00 0.00 C ATOM 1878 CD ARG B 44 2.901 -16.435 3.687 1.00 0.00 C ATOM 1879 NE ARG B 44 2.635 -17.629 4.519 1.00 0.00 N ATOM 1880 CZ ARG B 44 2.815 -17.676 5.857 1.00 0.00 C ATOM 1881 NH1 ARG B 44 3.260 -16.582 6.491 1.00 0.00 N ATOM 1882 NH2 ARG B 44 2.551 -18.798 6.540 1.00 0.00 N ATOM 0 H ARG B 44 1.503 -15.064 0.714 1.00 0.00 H new ATOM 0 HA ARG B 44 3.938 -16.292 -0.053 1.00 0.00 H new ATOM 0 HB2 ARG B 44 1.579 -16.998 1.660 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.626 -18.303 1.139 1.00 0.00 H new ATOM 0 HG2 ARG B 44 4.269 -17.685 2.585 1.00 0.00 H new ATOM 0 HG3 ARG B 44 4.223 -16.022 2.035 1.00 0.00 H new ATOM 0 HD2 ARG B 44 3.521 -15.728 4.239 1.00 0.00 H new ATOM 0 HD3 ARG B 44 1.965 -15.926 3.457 1.00 0.00 H new ATOM 0 HE ARG B 44 2.294 -18.470 4.053 1.00 0.00 H new ATOM 0 HH11 ARG B 44 3.457 -15.732 5.963 1.00 0.00 H new ATOM 0 HH12 ARG B 44 3.401 -16.600 7.501 1.00 0.00 H new ATOM 0 HH21 ARG B 44 2.211 -19.625 6.050 1.00 0.00 H new ATOM 0 HH22 ARG B 44 2.690 -18.825 7.550 1.00 0.00 H new ATOM 1896 N GLY B 45 1.108 -17.256 -1.511 1.00 0.00 N ATOM 1897 CA GLY B 45 0.546 -18.021 -2.611 1.00 0.00 C ATOM 1898 C GLY B 45 1.202 -17.580 -3.921 1.00 0.00 C ATOM 1899 O GLY B 45 1.588 -18.453 -4.711 1.00 0.00 O ATOM 0 H GLY B 45 0.436 -16.658 -1.030 1.00 0.00 H new ATOM 0 HA2 GLY B 45 0.710 -19.086 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -0.532 -17.869 -2.662 1.00 0.00 H new ATOM 1903 N ARG B 46 1.312 -16.254 -4.122 1.00 0.00 N ATOM 1904 CA ARG B 46 1.915 -15.705 -5.324 1.00 0.00 C ATOM 1905 C ARG B 46 3.423 -15.960 -5.296 1.00 0.00 C ATOM 1906 O ARG B 46 3.989 -16.266 -6.355 1.00 0.00 O ATOM 1907 CB ARG B 46 1.661 -14.201 -5.446 1.00 0.00 C ATOM 1908 CG ARG B 46 0.204 -13.919 -5.818 1.00 0.00 C ATOM 1909 CD ARG B 46 0.046 -12.506 -6.383 1.00 0.00 C ATOM 1910 NE ARG B 46 -1.063 -12.473 -7.362 1.00 0.00 N ATOM 1911 CZ ARG B 46 -1.103 -11.653 -8.434 1.00 0.00 C ATOM 1912 NH1 ARG B 46 -0.085 -10.809 -8.644 1.00 0.00 N ATOM 1913 NH2 ARG B 46 -2.146 -11.684 -9.275 1.00 0.00 N ATOM 0 H ARG B 46 0.987 -15.551 -3.458 1.00 0.00 H new ATOM 0 HA ARG B 46 1.461 -16.197 -6.184 1.00 0.00 H new ATOM 0 HB2 ARG B 46 1.901 -13.710 -4.503 1.00 0.00 H new ATOM 0 HB3 ARG B 46 2.322 -13.777 -6.202 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -0.135 -14.649 -6.553 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -0.429 -14.036 -4.938 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -0.151 -11.802 -5.574 1.00 0.00 H new ATOM 0 HD3 ARG B 46 0.973 -12.191 -6.861 1.00 0.00 H new ATOM 0 HE ARG B 46 -1.847 -13.110 -7.218 1.00 0.00 H new ATOM 0 HH11 ARG B 46 0.705 -10.792 -7.999 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -0.099 -10.183 -9.449 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -2.917 -12.330 -9.108 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -2.169 -11.061 -10.083 1.00 0.00 H new ATOM 1927 N GLY B 47 4.034 -15.832 -4.104 1.00 0.00 N ATOM 1928 CA GLY B 47 5.461 -16.048 -3.944 1.00 0.00 C ATOM 1929 C GLY B 47 5.797 -17.496 -4.303 1.00 0.00 C ATOM 1930 O GLY B 47 6.863 -17.724 -4.896 1.00 0.00 O ATOM 0 H GLY B 47 3.550 -15.579 -3.243 1.00 0.00 H new ATOM 0 HA2 GLY B 47 6.018 -15.364 -4.584 1.00 0.00 H new ATOM 0 HA3 GLY B 47 5.759 -15.837 -2.917 1.00 0.00 H new ATOM 1934 N SER B 48 4.899 -18.430 -3.945 1.00 0.00 N ATOM 1935 CA SER B 48 5.100 -19.841 -4.229 1.00 0.00 C ATOM 1936 C SER B 48 4.805 -20.106 -5.707 1.00 0.00 C ATOM 1937 O SER B 48 5.626 -20.763 -6.364 1.00 0.00 O ATOM 1938 CB SER B 48 4.215 -20.722 -3.345 1.00 0.00 C ATOM 1939 OG SER B 48 4.940 -21.813 -2.784 1.00 0.00 O ATOM 0 H SER B 48 4.028 -18.221 -3.457 1.00 0.00 H new ATOM 0 HA SER B 48 6.137 -20.094 -4.009 1.00 0.00 H new ATOM 0 HB2 SER B 48 3.789 -20.119 -2.543 1.00 0.00 H new ATOM 0 HB3 SER B 48 3.381 -21.105 -3.934 1.00 0.00 H new ATOM 0 HG SER B 48 4.341 -22.351 -2.225 1.00 0.00 H new ATOM 1945 N THR B 49 3.657 -19.600 -6.193 1.00 0.00 N ATOM 1946 CA THR B 49 3.261 -19.782 -7.579 1.00 0.00 C ATOM 1947 C THR B 49 4.344 -19.205 -8.494 1.00 0.00 C ATOM 1948 O THR B 49 4.887 -19.960 -9.313 1.00 0.00 O ATOM 1949 CB THR B 49 1.888 -19.139 -7.782 1.00 0.00 C ATOM 1950 OG1 THR B 49 1.036 -19.845 -6.885 1.00 0.00 O ATOM 1951 CG2 THR B 49 1.301 -19.437 -9.164 1.00 0.00 C ATOM 0 H THR B 49 2.994 -19.062 -5.635 1.00 0.00 H new ATOM 0 HA THR B 49 3.167 -20.837 -7.835 1.00 0.00 H new ATOM 0 HB THR B 49 1.970 -18.061 -7.646 1.00 0.00 H new ATOM 0 HG1 THR B 49 1.024 -19.389 -6.018 1.00 0.00 H new ATOM 0 HG21 THR B 49 0.326 -18.958 -9.256 1.00 0.00 H new ATOM 0 HG22 THR B 49 1.969 -19.052 -9.934 1.00 0.00 H new ATOM 0 HG23 THR B 49 1.189 -20.514 -9.287 1.00 0.00 H new ATOM 1959 N LEU B 50 4.630 -17.900 -8.339 1.00 0.00 N ATOM 1960 CA LEU B 50 5.638 -17.232 -9.146 1.00 0.00 C ATOM 1961 C LEU B 50 7.022 -17.756 -8.760 1.00 0.00 C ATOM 1962 O LEU B 50 7.912 -17.765 -9.624 1.00 0.00 O ATOM 1963 CB LEU B 50 5.500 -15.714 -9.026 1.00 0.00 C ATOM 1964 CG LEU B 50 4.126 -15.136 -9.372 1.00 0.00 C ATOM 1965 CD1 LEU B 50 3.988 -13.702 -8.854 1.00 0.00 C ATOM 1966 CD2 LEU B 50 3.853 -15.231 -10.874 1.00 0.00 C ATOM 0 H LEU B 50 4.170 -17.296 -7.658 1.00 0.00 H new ATOM 0 HA LEU B 50 5.493 -17.459 -10.202 1.00 0.00 H new ATOM 0 HB2 LEU B 50 5.746 -15.426 -8.004 1.00 0.00 H new ATOM 0 HB3 LEU B 50 6.242 -15.249 -9.675 1.00 0.00 H new ATOM 0 HG LEU B 50 3.367 -15.735 -8.869 1.00 0.00 H new ATOM 0 HD11 LEU B 50 3.003 -13.315 -9.113 1.00 0.00 H new ATOM 0 HD12 LEU B 50 4.108 -13.693 -7.771 1.00 0.00 H new ATOM 0 HD13 LEU B 50 4.755 -13.075 -9.309 1.00 0.00 H new ATOM 0 HD21 LEU B 50 2.870 -14.813 -11.092 1.00 0.00 H new ATOM 0 HD22 LEU B 50 4.614 -14.672 -11.418 1.00 0.00 H new ATOM 0 HD23 LEU B 50 3.880 -16.276 -11.183 1.00 0.00 H new ATOM 1978 N GLY B 51 7.176 -18.175 -7.491 1.00 0.00 N ATOM 1979 CA GLY B 51 8.441 -18.695 -7.000 1.00 0.00 C ATOM 1980 C GLY B 51 9.479 -17.571 -6.988 1.00 0.00 C ATOM 1981 O GLY B 51 10.674 -17.872 -7.123 1.00 0.00 O ATOM 0 H GLY B 51 6.431 -18.159 -6.794 1.00 0.00 H new ATOM 0 HA2 GLY B 51 8.316 -19.101 -5.996 1.00 0.00 H new ATOM 0 HA3 GLY B 51 8.782 -19.513 -7.634 1.00 0.00 H new ATOM 1985 N LEU B 52 9.011 -16.321 -6.830 1.00 0.00 N ATOM 1986 CA LEU B 52 9.893 -15.166 -6.802 1.00 0.00 C ATOM 1987 C LEU B 52 10.126 -14.743 -5.350 1.00 0.00 C ATOM 1988 O LEU B 52 9.188 -14.850 -4.547 1.00 0.00 O ATOM 1989 CB LEU B 52 9.340 -14.048 -7.687 1.00 0.00 C ATOM 1990 CG LEU B 52 9.697 -14.129 -9.173 1.00 0.00 C ATOM 1991 CD1 LEU B 52 8.885 -13.121 -9.988 1.00 0.00 C ATOM 1992 CD2 LEU B 52 11.202 -13.958 -9.385 1.00 0.00 C ATOM 0 H LEU B 52 8.022 -16.096 -6.720 1.00 0.00 H new ATOM 0 HA LEU B 52 10.867 -15.420 -7.221 1.00 0.00 H new ATOM 0 HB2 LEU B 52 8.254 -14.042 -7.595 1.00 0.00 H new ATOM 0 HB3 LEU B 52 9.698 -13.094 -7.299 1.00 0.00 H new ATOM 0 HG LEU B 52 9.432 -15.123 -9.534 1.00 0.00 H new ATOM 0 HD11 LEU B 52 9.158 -13.200 -11.040 1.00 0.00 H new ATOM 0 HD12 LEU B 52 7.822 -13.332 -9.872 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.096 -12.112 -9.633 1.00 0.00 H new ATOM 0 HD21 LEU B 52 11.429 -14.020 -10.449 1.00 0.00 H new ATOM 0 HD22 LEU B 52 11.515 -12.986 -9.003 1.00 0.00 H new ATOM 0 HD23 LEU B 52 11.736 -14.746 -8.854 1.00 0.00 H new ATOM 2004 N ASN B 53 11.351 -14.278 -5.048 1.00 0.00 N ATOM 2005 CA ASN B 53 11.700 -13.844 -3.706 1.00 0.00 C ATOM 2006 C ASN B 53 10.944 -12.556 -3.377 1.00 0.00 C ATOM 2007 O ASN B 53 11.011 -11.612 -4.178 1.00 0.00 O ATOM 2008 CB ASN B 53 13.198 -13.554 -3.593 1.00 0.00 C ATOM 2009 CG ASN B 53 13.682 -13.719 -2.151 1.00 0.00 C ATOM 2010 OD1 ASN B 53 12.972 -13.034 -1.261 1.00 0.00 O flip ATOM 2011 ND2 ASN B 53 14.636 -14.423 -1.866 1.00 0.00 N flip ATOM 0 H ASN B 53 12.110 -14.197 -5.725 1.00 0.00 H new ATOM 0 HA ASN B 53 11.433 -14.643 -3.014 1.00 0.00 H new ATOM 0 HB2 ASN B 53 13.753 -14.228 -4.246 1.00 0.00 H new ATOM 0 HB3 ASN B 53 13.402 -12.539 -3.935 1.00 0.00 H new ATOM 0 HD21 ASN B 53 15.138 -14.923 -2.600 1.00 0.00 H new ATOM 0 HD22 ASN B 53 14.932 -14.512 -0.894 1.00 0.00 H new ATOM 2018 N ILE B 54 10.249 -12.542 -2.226 1.00 0.00 N ATOM 2019 CA ILE B 54 9.488 -11.380 -1.799 1.00 0.00 C ATOM 2020 C ILE B 54 10.451 -10.292 -1.321 1.00 0.00 C ATOM 2021 O ILE B 54 10.181 -9.110 -1.577 1.00 0.00 O ATOM 2022 CB ILE B 54 8.443 -11.778 -0.755 1.00 0.00 C ATOM 2023 CG1 ILE B 54 7.147 -12.242 -1.426 1.00 0.00 C ATOM 2024 CG2 ILE B 54 8.198 -10.639 0.237 1.00 0.00 C ATOM 2025 CD1 ILE B 54 7.411 -13.416 -2.371 1.00 0.00 C ATOM 0 H ILE B 54 10.206 -13.331 -1.581 1.00 0.00 H new ATOM 0 HA ILE B 54 8.927 -10.964 -2.636 1.00 0.00 H new ATOM 0 HB ILE B 54 8.832 -12.623 -0.186 1.00 0.00 H new ATOM 0 HG12 ILE B 54 6.425 -12.538 -0.665 1.00 0.00 H new ATOM 0 HG13 ILE B 54 6.704 -11.415 -1.982 1.00 0.00 H new ATOM 0 HG21 ILE B 54 7.451 -10.948 0.968 1.00 0.00 H new ATOM 0 HG22 ILE B 54 9.129 -10.396 0.749 1.00 0.00 H new ATOM 0 HG23 ILE B 54 7.839 -9.760 -0.299 1.00 0.00 H new ATOM 0 HD11 ILE B 54 6.475 -13.727 -2.835 1.00 0.00 H new ATOM 0 HD12 ILE B 54 8.115 -13.109 -3.144 1.00 0.00 H new ATOM 0 HD13 ILE B 54 7.831 -14.249 -1.808 1.00 0.00 H new ATOM 2037 N GLU B 55 11.540 -10.705 -0.647 1.00 0.00 N ATOM 2038 CA GLU B 55 12.532 -9.773 -0.140 1.00 0.00 C ATOM 2039 C GLU B 55 13.139 -8.995 -1.309 1.00 0.00 C ATOM 2040 O GLU B 55 13.181 -7.758 -1.235 1.00 0.00 O ATOM 2041 CB GLU B 55 13.618 -10.489 0.664 1.00 0.00 C ATOM 2042 CG GLU B 55 13.057 -11.032 1.981 1.00 0.00 C ATOM 2043 CD GLU B 55 14.173 -11.605 2.857 1.00 0.00 C ATOM 2044 OE1 GLU B 55 15.321 -11.036 2.720 1.00 0.00 O ATOM 2045 OE2 GLU B 55 13.934 -12.549 3.625 1.00 0.00 O ATOM 0 H GLU B 55 11.745 -11.684 -0.447 1.00 0.00 H new ATOM 0 HA GLU B 55 12.041 -9.077 0.540 1.00 0.00 H new ATOM 0 HB2 GLU B 55 14.031 -11.308 0.075 1.00 0.00 H new ATOM 0 HB3 GLU B 55 14.437 -9.800 0.870 1.00 0.00 H new ATOM 0 HG2 GLU B 55 12.542 -10.235 2.517 1.00 0.00 H new ATOM 0 HG3 GLU B 55 12.318 -11.806 1.774 1.00 0.00 H new ATOM 2052 N ALA B 56 13.591 -9.721 -2.346 1.00 0.00 N ATOM 2053 CA ALA B 56 14.188 -9.103 -3.517 1.00 0.00 C ATOM 2054 C ALA B 56 13.131 -8.270 -4.245 1.00 0.00 C ATOM 2055 O ALA B 56 13.480 -7.202 -4.769 1.00 0.00 O ATOM 2056 CB ALA B 56 14.632 -10.188 -4.501 1.00 0.00 C ATOM 0 H ALA B 56 13.549 -10.739 -2.386 1.00 0.00 H new ATOM 0 HA ALA B 56 15.030 -8.491 -3.193 1.00 0.00 H new ATOM 0 HB1 ALA B 56 15.080 -9.722 -5.379 1.00 0.00 H new ATOM 0 HB2 ALA B 56 15.365 -10.837 -4.021 1.00 0.00 H new ATOM 0 HB3 ALA B 56 13.768 -10.779 -4.805 1.00 0.00 H new ATOM 2062 N ALA B 57 11.882 -8.767 -4.263 1.00 0.00 N ATOM 2063 CA ALA B 57 10.787 -8.073 -4.920 1.00 0.00 C ATOM 2064 C ALA B 57 10.553 -6.728 -4.229 1.00 0.00 C ATOM 2065 O ALA B 57 10.351 -5.729 -4.935 1.00 0.00 O ATOM 2066 CB ALA B 57 9.494 -8.873 -4.751 1.00 0.00 C ATOM 0 H ALA B 57 11.616 -9.650 -3.826 1.00 0.00 H new ATOM 0 HA ALA B 57 11.041 -7.947 -5.972 1.00 0.00 H new ATOM 0 HB1 ALA B 57 8.675 -8.350 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA B 57 9.616 -9.860 -5.198 1.00 0.00 H new ATOM 0 HB3 ALA B 57 9.269 -8.980 -3.690 1.00 0.00 H new ATOM 2072 N THR B 58 10.583 -6.729 -2.884 1.00 0.00 N ATOM 2073 CA THR B 58 10.375 -5.518 -2.109 1.00 0.00 C ATOM 2074 C THR B 58 11.411 -4.470 -2.520 1.00 0.00 C ATOM 2075 O THR B 58 11.061 -3.281 -2.567 1.00 0.00 O ATOM 2076 CB THR B 58 10.431 -5.875 -0.622 1.00 0.00 C ATOM 2077 OG1 THR B 58 9.290 -6.704 -0.421 1.00 0.00 O ATOM 2078 CG2 THR B 58 10.175 -4.666 0.280 1.00 0.00 C ATOM 0 H THR B 58 10.751 -7.563 -2.321 1.00 0.00 H new ATOM 0 HA THR B 58 9.395 -5.081 -2.303 1.00 0.00 H new ATOM 0 HB THR B 58 11.406 -6.303 -0.388 1.00 0.00 H new ATOM 0 HG1 THR B 58 9.471 -7.601 -0.773 1.00 0.00 H new ATOM 0 HG21 THR B 58 10.226 -4.974 1.324 1.00 0.00 H new ATOM 0 HG22 THR B 58 10.930 -3.903 0.089 1.00 0.00 H new ATOM 0 HG23 THR B 58 9.186 -4.258 0.070 1.00 0.00 H new ATOM 2086 N HIS B 59 12.644 -4.922 -2.808 1.00 0.00 N ATOM 2087 CA HIS B 59 13.717 -4.029 -3.211 1.00 0.00 C ATOM 2088 C HIS B 59 13.350 -3.366 -4.539 1.00 0.00 C ATOM 2089 O HIS B 59 13.435 -2.132 -4.626 1.00 0.00 O ATOM 2090 CB HIS B 59 15.054 -4.771 -3.269 1.00 0.00 C ATOM 2091 CG HIS B 59 15.683 -5.010 -1.916 1.00 0.00 C ATOM 2092 ND1 HIS B 59 17.025 -4.791 -1.664 1.00 0.00 N ATOM 2093 CD2 HIS B 59 15.138 -5.450 -0.745 1.00 0.00 C ATOM 2094 CE1 HIS B 59 17.268 -5.090 -0.396 1.00 0.00 C ATOM 2095 NE2 HIS B 59 16.097 -5.498 0.172 1.00 0.00 N ATOM 0 H HIS B 59 12.911 -5.905 -2.766 1.00 0.00 H new ATOM 0 HA HIS B 59 13.841 -3.242 -2.467 1.00 0.00 H new ATOM 0 HB2 HIS B 59 14.904 -5.731 -3.763 1.00 0.00 H new ATOM 0 HB3 HIS B 59 15.748 -4.200 -3.885 1.00 0.00 H new ATOM 0 HD2 HIS B 59 14.102 -5.714 -0.590 1.00 0.00 H new ATOM 0 HE1 HIS B 59 18.225 -5.022 0.100 1.00 0.00 H new ATOM 0 HE2 HIS B 59 15.978 -5.792 1.142 1.00 0.00 H new ATOM 2103 N VAL B 60 12.956 -4.183 -5.532 1.00 0.00 N ATOM 2104 CA VAL B 60 12.580 -3.678 -6.842 1.00 0.00 C ATOM 2105 C VAL B 60 11.445 -2.663 -6.686 1.00 0.00 C ATOM 2106 O VAL B 60 11.485 -1.625 -7.364 1.00 0.00 O ATOM 2107 CB VAL B 60 12.217 -4.842 -7.767 1.00 0.00 C ATOM 2108 CG1 VAL B 60 11.861 -4.338 -9.167 1.00 0.00 C ATOM 2109 CG2 VAL B 60 13.350 -5.869 -7.825 1.00 0.00 C ATOM 0 H VAL B 60 12.893 -5.197 -5.440 1.00 0.00 H new ATOM 0 HA VAL B 60 13.419 -3.160 -7.307 1.00 0.00 H new ATOM 0 HB VAL B 60 11.337 -5.337 -7.355 1.00 0.00 H new ATOM 0 HG11 VAL B 60 11.607 -5.185 -9.805 1.00 0.00 H new ATOM 0 HG12 VAL B 60 11.008 -3.662 -9.104 1.00 0.00 H new ATOM 0 HG13 VAL B 60 12.714 -3.808 -9.591 1.00 0.00 H new ATOM 0 HG21 VAL B 60 13.067 -6.686 -8.489 1.00 0.00 H new ATOM 0 HG22 VAL B 60 14.255 -5.392 -8.202 1.00 0.00 H new ATOM 0 HG23 VAL B 60 13.537 -6.262 -6.825 1.00 0.00 H new ATOM 2119 N GLY B 61 10.473 -2.975 -5.811 1.00 0.00 N ATOM 2120 CA GLY B 61 9.341 -2.097 -5.571 1.00 0.00 C ATOM 2121 C GLY B 61 9.849 -0.741 -5.078 1.00 0.00 C ATOM 2122 O GLY B 61 9.366 0.287 -5.576 1.00 0.00 O ATOM 0 H GLY B 61 10.459 -3.835 -5.262 1.00 0.00 H new ATOM 0 HA2 GLY B 61 8.763 -1.971 -6.487 1.00 0.00 H new ATOM 0 HA3 GLY B 61 8.674 -2.539 -4.831 1.00 0.00 H new ATOM 2126 N LYS B 62 10.799 -0.763 -4.126 1.00 0.00 N ATOM 2127 CA LYS B 62 11.365 0.456 -3.574 1.00 0.00 C ATOM 2128 C LYS B 62 11.833 1.360 -4.716 1.00 0.00 C ATOM 2129 O LYS B 62 11.591 2.573 -4.644 1.00 0.00 O ATOM 2130 CB LYS B 62 12.464 0.126 -2.561 1.00 0.00 C ATOM 2131 CG LYS B 62 13.369 1.335 -2.321 1.00 0.00 C ATOM 2132 CD LYS B 62 12.567 2.525 -1.789 1.00 0.00 C ATOM 2133 CE LYS B 62 12.882 3.796 -2.578 1.00 0.00 C ATOM 2134 NZ LYS B 62 13.474 4.816 -1.697 1.00 0.00 N ATOM 0 H LYS B 62 11.184 -1.620 -3.730 1.00 0.00 H new ATOM 0 HA LYS B 62 10.608 1.010 -3.019 1.00 0.00 H new ATOM 0 HB2 LYS B 62 12.013 -0.188 -1.620 1.00 0.00 H new ATOM 0 HB3 LYS B 62 13.059 -0.712 -2.925 1.00 0.00 H new ATOM 0 HG2 LYS B 62 14.151 1.072 -1.609 1.00 0.00 H new ATOM 0 HG3 LYS B 62 13.865 1.613 -3.251 1.00 0.00 H new ATOM 0 HD2 LYS B 62 11.501 2.308 -1.854 1.00 0.00 H new ATOM 0 HD3 LYS B 62 12.797 2.681 -0.735 1.00 0.00 H new ATOM 0 HE2 LYS B 62 13.570 3.565 -3.391 1.00 0.00 H new ATOM 0 HE3 LYS B 62 11.971 4.184 -3.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 12.961 5.713 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 13.406 4.502 -0.708 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 14.474 4.954 -1.949 1.00 0.00 H new ATOM 2148 N GLN B 63 12.482 0.760 -5.731 1.00 0.00 N ATOM 2149 CA GLN B 63 12.976 1.506 -6.876 1.00 0.00 C ATOM 2150 C GLN B 63 11.791 2.002 -7.707 1.00 0.00 C ATOM 2151 O GLN B 63 11.859 3.129 -8.219 1.00 0.00 O ATOM 2152 CB GLN B 63 13.929 0.664 -7.725 1.00 0.00 C ATOM 2153 CG GLN B 63 15.388 0.991 -7.401 1.00 0.00 C ATOM 2154 CD GLN B 63 15.806 0.366 -6.068 1.00 0.00 C ATOM 2155 OE1 GLN B 63 15.355 -0.872 -5.886 1.00 0.00 O flip ATOM 2156 NE2 GLN B 63 16.493 0.968 -5.259 1.00 0.00 N flip ATOM 0 H GLN B 63 12.671 -0.242 -5.770 1.00 0.00 H new ATOM 0 HA GLN B 63 13.545 2.363 -6.516 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.742 -0.395 -7.546 1.00 0.00 H new ATOM 0 HB3 GLN B 63 13.738 0.847 -8.782 1.00 0.00 H new ATOM 0 HG2 GLN B 63 16.033 0.622 -8.198 1.00 0.00 H new ATOM 0 HG3 GLN B 63 15.521 2.072 -7.358 1.00 0.00 H new ATOM 0 HE21 GLN B 63 16.806 1.917 -5.462 1.00 0.00 H new ATOM 0 HE22 GLN B 63 16.754 0.522 -4.380 1.00 0.00 H new ATOM 2165 N ILE B 64 10.746 1.163 -7.824 1.00 0.00 N ATOM 2166 CA ILE B 64 9.559 1.513 -8.587 1.00 0.00 C ATOM 2167 C ILE B 64 8.929 2.773 -7.991 1.00 0.00 C ATOM 2168 O ILE B 64 8.416 3.597 -8.762 1.00 0.00 O ATOM 2169 CB ILE B 64 8.601 0.323 -8.663 1.00 0.00 C ATOM 2170 CG1 ILE B 64 9.087 -0.707 -9.684 1.00 0.00 C ATOM 2171 CG2 ILE B 64 7.172 0.788 -8.953 1.00 0.00 C ATOM 2172 CD1 ILE B 64 8.876 -0.205 -11.114 1.00 0.00 C ATOM 0 H ILE B 64 10.710 0.238 -7.395 1.00 0.00 H new ATOM 0 HA ILE B 64 9.823 1.746 -9.619 1.00 0.00 H new ATOM 0 HB ILE B 64 8.589 -0.169 -7.690 1.00 0.00 H new ATOM 0 HG12 ILE B 64 10.144 -0.915 -9.520 1.00 0.00 H new ATOM 0 HG13 ILE B 64 8.552 -1.646 -9.542 1.00 0.00 H new ATOM 0 HG21 ILE B 64 6.511 -0.077 -9.002 1.00 0.00 H new ATOM 0 HG22 ILE B 64 6.838 1.455 -8.158 1.00 0.00 H new ATOM 0 HG23 ILE B 64 7.148 1.317 -9.905 1.00 0.00 H new ATOM 0 HD11 ILE B 64 9.230 -0.957 -11.819 1.00 0.00 H new ATOM 0 HD12 ILE B 64 7.815 -0.021 -11.282 1.00 0.00 H new ATOM 0 HD13 ILE B 64 9.432 0.721 -11.260 1.00 0.00 H new ATOM 2184 N VAL B 65 8.979 2.897 -6.652 1.00 0.00 N ATOM 2185 CA VAL B 65 8.417 4.045 -5.964 1.00 0.00 C ATOM 2186 C VAL B 65 9.312 5.263 -6.196 1.00 0.00 C ATOM 2187 O VAL B 65 8.778 6.340 -6.497 1.00 0.00 O ATOM 2188 CB VAL B 65 8.221 3.722 -4.481 1.00 0.00 C ATOM 2189 CG1 VAL B 65 7.956 4.994 -3.673 1.00 0.00 C ATOM 2190 CG2 VAL B 65 7.095 2.705 -4.285 1.00 0.00 C ATOM 0 H VAL B 65 9.407 2.207 -6.035 1.00 0.00 H new ATOM 0 HA VAL B 65 7.432 4.285 -6.365 1.00 0.00 H new ATOM 0 HB VAL B 65 9.144 3.276 -4.111 1.00 0.00 H new ATOM 0 HG11 VAL B 65 7.820 4.736 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL B 65 8.803 5.672 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL B 65 7.055 5.481 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL B 65 6.977 2.493 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL B 65 6.164 3.112 -4.680 1.00 0.00 H new ATOM 0 HG23 VAL B 65 7.341 1.784 -4.813 1.00 0.00 H new ATOM 2200 N GLU B 66 10.636 5.072 -6.055 1.00 0.00 N ATOM 2201 CA GLU B 66 11.595 6.147 -6.249 1.00 0.00 C ATOM 2202 C GLU B 66 11.501 6.655 -7.690 1.00 0.00 C ATOM 2203 O GLU B 66 11.762 7.846 -7.913 1.00 0.00 O ATOM 2204 CB GLU B 66 13.019 5.697 -5.919 1.00 0.00 C ATOM 2205 CG GLU B 66 13.466 6.244 -4.561 1.00 0.00 C ATOM 2206 CD GLU B 66 14.948 5.953 -4.314 1.00 0.00 C ATOM 2207 OE1 GLU B 66 15.275 4.707 -4.364 1.00 0.00 O ATOM 2208 OE2 GLU B 66 15.732 6.886 -4.086 1.00 0.00 O ATOM 0 H GLU B 66 11.056 4.176 -5.806 1.00 0.00 H new ATOM 0 HA GLU B 66 11.352 6.959 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU B 66 13.067 4.608 -5.910 1.00 0.00 H new ATOM 0 HB3 GLU B 66 13.702 6.040 -6.696 1.00 0.00 H new ATOM 0 HG2 GLU B 66 13.291 7.319 -4.523 1.00 0.00 H new ATOM 0 HG3 GLU B 66 12.867 5.795 -3.769 1.00 0.00 H new ATOM 2215 N LYS B 67 11.134 5.757 -8.621 1.00 0.00 N ATOM 2216 CA LYS B 67 11.009 6.112 -10.025 1.00 0.00 C ATOM 2217 C LYS B 67 9.772 6.995 -10.214 1.00 0.00 C ATOM 2218 O LYS B 67 9.837 7.935 -11.018 1.00 0.00 O ATOM 2219 CB LYS B 67 11.007 4.855 -10.898 1.00 0.00 C ATOM 2220 CG LYS B 67 12.432 4.369 -11.161 1.00 0.00 C ATOM 2221 CD LYS B 67 12.515 3.606 -12.485 1.00 0.00 C ATOM 2222 CE LYS B 67 13.580 2.509 -12.419 1.00 0.00 C ATOM 2223 NZ LYS B 67 14.923 3.101 -12.303 1.00 0.00 N ATOM 0 H LYS B 67 10.921 4.781 -8.415 1.00 0.00 H new ATOM 0 HA LYS B 67 11.871 6.695 -10.349 1.00 0.00 H new ATOM 0 HB2 LYS B 67 10.435 4.068 -10.407 1.00 0.00 H new ATOM 0 HB3 LYS B 67 10.510 5.066 -11.845 1.00 0.00 H new ATOM 0 HG2 LYS B 67 13.112 5.221 -11.185 1.00 0.00 H new ATOM 0 HG3 LYS B 67 12.757 3.724 -10.344 1.00 0.00 H new ATOM 0 HD2 LYS B 67 11.546 3.164 -12.715 1.00 0.00 H new ATOM 0 HD3 LYS B 67 12.750 4.298 -13.294 1.00 0.00 H new ATOM 0 HE2 LYS B 67 13.388 1.858 -11.566 1.00 0.00 H new ATOM 0 HE3 LYS B 67 13.526 1.887 -13.313 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 15.637 2.345 -12.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 15.090 3.743 -13.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 14.992 3.633 -11.412 1.00 0.00 H new ATOM 2237 N ILE B 68 8.689 6.678 -9.483 1.00 0.00 N ATOM 2238 CA ILE B 68 7.453 7.437 -9.569 1.00 0.00 C ATOM 2239 C ILE B 68 7.608 8.748 -8.797 1.00 0.00 C ATOM 2240 O ILE B 68 6.975 9.741 -9.187 1.00 0.00 O ATOM 2241 CB ILE B 68 6.269 6.586 -9.104 1.00 0.00 C ATOM 2242 CG1 ILE B 68 5.651 5.820 -10.276 1.00 0.00 C ATOM 2243 CG2 ILE B 68 5.235 7.441 -8.369 1.00 0.00 C ATOM 2244 CD1 ILE B 68 5.408 4.356 -9.906 1.00 0.00 C ATOM 0 H ILE B 68 8.656 5.897 -8.828 1.00 0.00 H new ATOM 0 HA ILE B 68 7.240 7.701 -10.605 1.00 0.00 H new ATOM 0 HB ILE B 68 6.638 5.846 -8.394 1.00 0.00 H new ATOM 0 HG12 ILE B 68 4.709 6.287 -10.564 1.00 0.00 H new ATOM 0 HG13 ILE B 68 6.312 5.875 -11.141 1.00 0.00 H new ATOM 0 HG21 ILE B 68 4.404 6.812 -8.049 1.00 0.00 H new ATOM 0 HG22 ILE B 68 5.698 7.902 -7.497 1.00 0.00 H new ATOM 0 HG23 ILE B 68 4.865 8.219 -9.037 1.00 0.00 H new ATOM 0 HD11 ILE B 68 4.968 3.834 -10.756 1.00 0.00 H new ATOM 0 HD12 ILE B 68 6.355 3.886 -9.642 1.00 0.00 H new ATOM 0 HD13 ILE B 68 4.727 4.304 -9.056 1.00 0.00 H new ATOM 2256 N LEU B 69 8.435 8.728 -7.736 1.00 0.00 N ATOM 2257 CA LEU B 69 8.670 9.907 -6.920 1.00 0.00 C ATOM 2258 C LEU B 69 9.593 10.867 -7.672 1.00 0.00 C ATOM 2259 O LEU B 69 9.457 12.085 -7.484 1.00 0.00 O ATOM 2260 CB LEU B 69 9.192 9.507 -5.539 1.00 0.00 C ATOM 2261 CG LEU B 69 8.134 9.082 -4.519 1.00 0.00 C ATOM 2262 CD1 LEU B 69 8.783 8.468 -3.278 1.00 0.00 C ATOM 2263 CD2 LEU B 69 7.212 10.251 -4.165 1.00 0.00 C ATOM 0 H LEU B 69 8.948 7.900 -7.433 1.00 0.00 H new ATOM 0 HA LEU B 69 7.735 10.438 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.898 8.686 -5.663 1.00 0.00 H new ATOM 0 HB3 LEU B 69 9.749 10.348 -5.126 1.00 0.00 H new ATOM 0 HG LEU B 69 7.514 8.309 -4.973 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.008 8.175 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.362 7.591 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU B 69 9.442 9.200 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.469 9.922 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU B 69 7.801 11.063 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.708 10.602 -5.065 1.00 0.00 H new ATOM 2275 N LYS B 70 10.499 10.310 -8.496 1.00 0.00 N ATOM 2276 CA LYS B 70 11.435 11.111 -9.267 1.00 0.00 C ATOM 2277 C LYS B 70 10.664 11.932 -10.303 1.00 0.00 C ATOM 2278 O LYS B 70 11.137 13.018 -10.666 1.00 0.00 O ATOM 2279 CB LYS B 70 12.527 10.226 -9.871 1.00 0.00 C ATOM 2280 CG LYS B 70 13.781 11.042 -10.187 1.00 0.00 C ATOM 2281 CD LYS B 70 14.864 10.815 -9.128 1.00 0.00 C ATOM 2282 CE LYS B 70 14.367 11.222 -7.740 1.00 0.00 C ATOM 2283 NZ LYS B 70 14.330 12.689 -7.616 1.00 0.00 N ATOM 0 H LYS B 70 10.594 9.304 -8.637 1.00 0.00 H new ATOM 0 HA LYS B 70 11.953 11.819 -8.621 1.00 0.00 H new ATOM 0 HB2 LYS B 70 12.776 9.424 -9.176 1.00 0.00 H new ATOM 0 HB3 LYS B 70 12.156 9.755 -10.781 1.00 0.00 H new ATOM 0 HG2 LYS B 70 14.163 10.763 -11.169 1.00 0.00 H new ATOM 0 HG3 LYS B 70 13.528 12.101 -10.233 1.00 0.00 H new ATOM 0 HD2 LYS B 70 15.156 9.765 -9.120 1.00 0.00 H new ATOM 0 HD3 LYS B 70 15.754 11.391 -9.383 1.00 0.00 H new ATOM 0 HE2 LYS B 70 13.372 10.811 -7.568 1.00 0.00 H new ATOM 0 HE3 LYS B 70 15.021 10.803 -6.975 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 14.928 12.985 -6.819 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 14.684 13.121 -8.494 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 13.351 12.999 -7.448 1.00 0.00 H new ATOM 2297 N GLU B 71 9.510 11.404 -10.751 1.00 0.00 N ATOM 2298 CA GLU B 71 8.685 12.083 -11.735 1.00 0.00 C ATOM 2299 C GLU B 71 7.886 13.191 -11.046 1.00 0.00 C ATOM 2300 O GLU B 71 7.418 14.103 -11.745 1.00 0.00 O ATOM 2301 CB GLU B 71 7.756 11.107 -12.460 1.00 0.00 C ATOM 2302 CG GLU B 71 8.220 9.661 -12.264 1.00 0.00 C ATOM 2303 CD GLU B 71 7.403 8.701 -13.131 1.00 0.00 C ATOM 2304 OE1 GLU B 71 6.203 8.928 -13.345 1.00 0.00 O ATOM 2305 OE2 GLU B 71 8.058 7.688 -13.588 1.00 0.00 O ATOM 0 H GLU B 71 9.138 10.507 -10.439 1.00 0.00 H new ATOM 0 HA GLU B 71 9.334 12.524 -12.491 1.00 0.00 H new ATOM 0 HB2 GLU B 71 6.739 11.221 -12.085 1.00 0.00 H new ATOM 0 HB3 GLU B 71 7.732 11.344 -13.524 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.277 9.577 -12.518 1.00 0.00 H new ATOM 0 HG3 GLU B 71 8.121 9.383 -11.215 1.00 0.00 H new