USER MOD reduce.3.24.130724 H: found=0, std=0, add=1198, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1202 hydrogens (4 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 NoAdj-H: A 96 HIS HE2 : A 96 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD NoAdj-H: A 98 HIS HE2 : A 98 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD NoAdj-H: A 140 HIS HE2 : A 140 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD Single : A 1 SER N :NH3+ -144:sc= 0.309 (180deg=0.0104) USER MOD Single : A 1 SER OG : rot 180:sc= 0.151 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.366 K(o=-0.37,f=-1.2) USER MOD Single : A 13 ASN : amide:sc= -0.0317 K(o=-0.032,f=-0.64) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= 0.834 K(o=0.83,f=-4!) USER MOD Single : A 18 SER OG : rot -32:sc= 0.134 USER MOD Single : A 19 THR OG1 : rot 88:sc= 0.888 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.157 F(o=-1.3,f=-0.16) USER MOD Single : A 25 GLN : amide:sc= -0.009 K(o=-0.009,f=-1.6!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 27 GLN : amide:sc= -0.0981 X(o=-0.098,f=-0.21) USER MOD Single : A 29 ASN : amide:sc= -2.75! C(o=-2.7!,f=-2.9!) USER MOD Single : A 31 LYS NZ :NH3+ -118:sc= -2.45! (180deg=-6.11!) USER MOD Single : A 39 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 73:sc= 0.328 USER MOD Single : A 58 GLN :FLIP amide:sc= -1.23 F(o=-3.6!,f=-1.2) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -2.28! C(o=-4.6!,f=-2.3!) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= -0.0193 (180deg=-0.858) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -163:sc= -6.24! USER MOD Single : A 71 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.39) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.00555 USER MOD Single : A 82 ASN : amide:sc= -0.929 K(o=-0.93,f=-4.1) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -164:sc= -3.5! (180deg=-4.77) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -1.24! C(o=-1.2!,f=-5.3!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0594 USER MOD Single : A 114 CYS SG : rot -126:sc= -0.0498 USER MOD Single : A 116 HIS : no HD1:sc= -0.0983 K(o=-0.098,f=-0.9) USER MOD Single : A 123 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.26) USER MOD Single : A 126 CYS SG : rot 136:sc= -3.04! USER MOD Single : A 128 LYS NZ :NH3+ 153:sc= -0.039 (180deg=-0.624) USER MOD Single : A 129 ASN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 133 SER OG : rot 28:sc= -0.676! USER MOD Single : A 137 HIS : no HD1:sc=-0.00326 X(o=-0.0033,f=-0.077) USER MOD Single : A 138 THR OG1 : rot 87:sc= -0.151 USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.5!) USER MOD Single : A 151 THR OG1 : rot 110:sc= -0.555 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.941 7.807 0.082 1.00 0.00 N ATOM 2 CA SER A 1 8.984 7.091 0.870 1.00 0.00 C ATOM 3 C SER A 1 9.187 7.800 2.213 1.00 0.00 C ATOM 4 O SER A 1 10.120 8.562 2.389 1.00 0.00 O ATOM 5 CB SER A 1 10.297 7.087 0.087 1.00 0.00 C ATOM 6 OG SER A 1 10.412 8.302 -0.643 1.00 0.00 O ATOM 0 H1 SER A 1 7.376 7.117 -0.454 1.00 0.00 H new ATOM 0 H2 SER A 1 7.320 8.336 0.727 1.00 0.00 H new ATOM 0 H3 SER A 1 8.398 8.468 -0.578 1.00 0.00 H new ATOM 0 HA SER A 1 8.666 6.064 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.140 6.978 0.769 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.325 6.236 -0.594 1.00 0.00 H new ATOM 0 HG SER A 1 11.254 8.304 -1.145 1.00 0.00 H new ATOM 14 N ALA A 2 8.321 7.562 3.164 1.00 0.00 N ATOM 15 CA ALA A 2 8.469 8.234 4.496 1.00 0.00 C ATOM 16 C ALA A 2 7.912 7.336 5.598 1.00 0.00 C ATOM 17 O ALA A 2 7.001 6.566 5.373 1.00 0.00 O ATOM 18 CB ALA A 2 7.700 9.554 4.480 1.00 0.00 C ATOM 0 H ALA A 2 7.521 6.935 3.080 1.00 0.00 H new ATOM 0 HA ALA A 2 9.525 8.422 4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.804 10.047 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.101 10.199 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.646 9.359 4.284 1.00 0.00 H new ATOM 24 N LEU A 3 8.443 7.430 6.796 1.00 0.00 N ATOM 25 CA LEU A 3 7.923 6.585 7.900 1.00 0.00 C ATOM 26 C LEU A 3 7.763 7.462 9.132 1.00 0.00 C ATOM 27 O LEU A 3 8.680 8.137 9.552 1.00 0.00 O ATOM 28 CB LEU A 3 8.904 5.446 8.184 1.00 0.00 C ATOM 29 CG LEU A 3 8.458 4.674 9.430 1.00 0.00 C ATOM 30 CD1 LEU A 3 7.014 4.201 9.251 1.00 0.00 C ATOM 31 CD2 LEU A 3 9.369 3.458 9.619 1.00 0.00 C ATOM 0 H LEU A 3 9.209 8.054 7.048 1.00 0.00 H new ATOM 0 HA LEU A 3 6.962 6.150 7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.953 4.774 7.327 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.907 5.846 8.333 1.00 0.00 H new ATOM 0 HG LEU A 3 8.520 5.323 10.303 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.698 3.652 10.138 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.364 5.064 9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.950 3.550 8.379 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.057 2.904 10.504 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.300 2.812 8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.399 3.791 9.744 1.00 0.00 H new ATOM 43 N THR A 4 6.597 7.460 9.709 1.00 0.00 N ATOM 44 CA THR A 4 6.357 8.290 10.914 1.00 0.00 C ATOM 45 C THR A 4 5.690 7.420 11.967 1.00 0.00 C ATOM 46 O THR A 4 4.798 6.664 11.673 1.00 0.00 O ATOM 47 CB THR A 4 5.433 9.451 10.557 1.00 0.00 C ATOM 48 OG1 THR A 4 5.793 9.974 9.288 1.00 0.00 O ATOM 49 CG2 THR A 4 5.569 10.547 11.609 1.00 0.00 C ATOM 0 H THR A 4 5.795 6.914 9.394 1.00 0.00 H new ATOM 0 HA THR A 4 7.299 8.687 11.292 1.00 0.00 H new ATOM 0 HB THR A 4 4.403 9.096 10.525 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.197 10.718 9.060 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.910 11.378 11.356 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.294 10.150 12.586 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.601 10.898 11.637 1.00 0.00 H new ATOM 57 N ILE A 5 6.089 7.520 13.190 1.00 0.00 N ATOM 58 CA ILE A 5 5.423 6.691 14.226 1.00 0.00 C ATOM 59 C ILE A 5 5.331 7.498 15.507 1.00 0.00 C ATOM 60 O ILE A 5 6.348 7.847 16.080 1.00 0.00 O ATOM 61 CB ILE A 5 6.264 5.442 14.497 1.00 0.00 C ATOM 62 CG1 ILE A 5 6.873 4.926 13.185 1.00 0.00 C ATOM 63 CG2 ILE A 5 5.364 4.368 15.104 1.00 0.00 C ATOM 64 CD1 ILE A 5 7.837 3.773 13.478 1.00 0.00 C ATOM 0 H ILE A 5 6.837 8.129 13.521 1.00 0.00 H new ATOM 0 HA ILE A 5 4.430 6.401 13.883 1.00 0.00 H new ATOM 0 HB ILE A 5 7.072 5.685 15.187 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.082 4.589 12.514 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.401 5.733 12.676 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.951 3.471 15.303 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.937 4.736 16.037 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.561 4.129 14.406 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.266 3.411 12.544 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.635 4.124 14.132 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.297 2.962 13.967 1.00 0.00 H new ATOM 76 N PHE A 6 4.153 7.833 15.978 1.00 0.00 N ATOM 77 CA PHE A 6 4.043 8.642 17.221 1.00 0.00 C ATOM 78 C PHE A 6 3.453 7.780 18.336 1.00 0.00 C ATOM 79 O PHE A 6 2.994 6.680 18.101 1.00 0.00 O ATOM 80 CB PHE A 6 3.123 9.842 16.966 1.00 0.00 C ATOM 81 CG PHE A 6 2.145 9.530 15.860 1.00 0.00 C ATOM 82 CD1 PHE A 6 2.511 9.709 14.517 1.00 0.00 C ATOM 83 CD2 PHE A 6 0.859 9.081 16.180 1.00 0.00 C ATOM 84 CE1 PHE A 6 1.590 9.438 13.501 1.00 0.00 C ATOM 85 CE2 PHE A 6 -0.060 8.809 15.162 1.00 0.00 C ATOM 86 CZ PHE A 6 0.305 8.988 13.822 1.00 0.00 C ATOM 0 H PHE A 6 3.263 7.577 15.549 1.00 0.00 H new ATOM 0 HA PHE A 6 5.031 8.995 17.516 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.582 10.094 17.878 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.719 10.714 16.698 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.503 10.056 14.269 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.576 8.945 17.213 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.871 9.576 12.467 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.052 8.461 15.409 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.406 8.779 13.036 1.00 0.00 H new ATOM 96 N SER A 7 3.445 8.270 19.543 1.00 0.00 N ATOM 97 CA SER A 7 2.864 7.472 20.655 1.00 0.00 C ATOM 98 C SER A 7 1.340 7.645 20.668 1.00 0.00 C ATOM 99 O SER A 7 0.810 8.650 20.239 1.00 0.00 O ATOM 100 CB SER A 7 3.443 7.949 21.988 1.00 0.00 C ATOM 101 OG SER A 7 2.996 7.086 23.026 1.00 0.00 O ATOM 0 H SER A 7 3.814 9.184 19.806 1.00 0.00 H new ATOM 0 HA SER A 7 3.109 6.420 20.510 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.532 7.952 21.945 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.129 8.973 22.189 1.00 0.00 H new ATOM 0 HG SER A 7 3.366 7.386 23.883 1.00 0.00 H new ATOM 107 N VAL A 8 0.643 6.664 21.171 1.00 0.00 N ATOM 108 CA VAL A 8 -0.846 6.755 21.231 1.00 0.00 C ATOM 109 C VAL A 8 -1.257 7.947 22.101 1.00 0.00 C ATOM 110 O VAL A 8 -2.369 8.430 22.021 1.00 0.00 O ATOM 111 CB VAL A 8 -1.427 5.469 21.828 1.00 0.00 C ATOM 112 CG1 VAL A 8 -1.009 5.343 23.292 1.00 0.00 C ATOM 113 CG2 VAL A 8 -2.954 5.509 21.749 1.00 0.00 C ATOM 0 H VAL A 8 1.039 5.801 21.544 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.231 6.890 20.220 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.050 4.615 21.264 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.425 4.427 23.712 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.079 5.312 23.358 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.382 6.201 23.852 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.364 4.593 22.174 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.325 6.367 22.309 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.262 5.595 20.707 1.00 0.00 H new ATOM 123 N LYS A 9 -0.371 8.431 22.929 1.00 0.00 N ATOM 124 CA LYS A 9 -0.717 9.596 23.797 1.00 0.00 C ATOM 125 C LYS A 9 -0.259 10.902 23.138 1.00 0.00 C ATOM 126 O LYS A 9 -0.888 11.932 23.281 1.00 0.00 O ATOM 127 CB LYS A 9 -0.021 9.441 25.150 1.00 0.00 C ATOM 128 CG LYS A 9 -0.576 10.479 26.132 1.00 0.00 C ATOM 129 CD LYS A 9 0.274 10.498 27.408 1.00 0.00 C ATOM 130 CE LYS A 9 -0.165 9.364 28.338 1.00 0.00 C ATOM 131 NZ LYS A 9 -1.162 9.883 29.314 1.00 0.00 N ATOM 0 H LYS A 9 0.577 8.071 23.043 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.798 9.628 23.936 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.179 8.435 25.539 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.055 9.572 25.035 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.576 11.466 25.670 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.611 10.243 26.378 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.329 10.387 27.156 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.167 11.458 27.913 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.598 8.550 27.757 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.698 8.956 28.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.461 9.114 29.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.733 10.646 29.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.989 10.252 28.803 1.00 0.00 H new ATOM 145 N ASP A 10 0.839 10.865 22.428 1.00 0.00 N ATOM 146 CA ASP A 10 1.353 12.101 21.761 1.00 0.00 C ATOM 147 C ASP A 10 1.325 11.929 20.236 1.00 0.00 C ATOM 148 O ASP A 10 2.322 11.598 19.628 1.00 0.00 O ATOM 149 CB ASP A 10 2.790 12.361 22.215 1.00 0.00 C ATOM 150 CG ASP A 10 2.781 12.972 23.618 1.00 0.00 C ATOM 151 OD1 ASP A 10 2.075 13.948 23.813 1.00 0.00 O ATOM 152 OD2 ASP A 10 3.478 12.452 24.473 1.00 0.00 O ATOM 0 H ASP A 10 1.405 10.029 22.280 1.00 0.00 H new ATOM 0 HA ASP A 10 0.719 12.944 22.036 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.356 11.430 22.216 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.287 13.035 21.517 1.00 0.00 H new ATOM 157 N PRO A 11 0.193 12.154 19.622 1.00 0.00 N ATOM 158 CA PRO A 11 0.037 12.022 18.150 1.00 0.00 C ATOM 159 C PRO A 11 0.459 13.289 17.397 1.00 0.00 C ATOM 160 O PRO A 11 0.578 13.289 16.188 1.00 0.00 O ATOM 161 CB PRO A 11 -1.459 11.780 17.983 1.00 0.00 C ATOM 162 CG PRO A 11 -2.104 12.485 19.133 1.00 0.00 C ATOM 163 CD PRO A 11 -1.066 12.560 20.263 1.00 0.00 C ATOM 0 HA PRO A 11 0.666 11.231 17.742 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.817 12.172 17.031 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.689 10.715 17.996 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.426 13.484 18.840 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.993 11.948 19.463 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.997 13.567 20.674 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.326 11.896 21.087 1.00 0.00 H new ATOM 171 N GLN A 12 0.678 14.373 18.094 1.00 0.00 N ATOM 172 CA GLN A 12 1.078 15.635 17.404 1.00 0.00 C ATOM 173 C GLN A 12 2.604 15.719 17.288 1.00 0.00 C ATOM 174 O GLN A 12 3.129 16.404 16.432 1.00 0.00 O ATOM 175 CB GLN A 12 0.579 16.830 18.220 1.00 0.00 C ATOM 176 CG GLN A 12 -0.950 16.818 18.285 1.00 0.00 C ATOM 177 CD GLN A 12 -1.518 17.162 16.909 1.00 0.00 C ATOM 178 OE1 GLN A 12 -1.598 16.316 16.041 1.00 0.00 O ATOM 179 NE2 GLN A 12 -1.918 18.382 16.669 1.00 0.00 N ATOM 0 H GLN A 12 0.597 14.439 19.109 1.00 0.00 H new ATOM 0 HA GLN A 12 0.642 15.646 16.405 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.994 16.792 19.227 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.925 17.760 17.768 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.304 15.837 18.602 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.299 17.538 19.025 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.851 19.093 17.397 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.297 18.624 15.753 1.00 0.00 H new ATOM 188 N ASN A 13 3.316 15.022 18.130 1.00 0.00 N ATOM 189 CA ASN A 13 4.807 15.058 18.056 1.00 0.00 C ATOM 190 C ASN A 13 5.359 13.639 18.074 1.00 0.00 C ATOM 191 O ASN A 13 5.456 13.025 19.116 1.00 0.00 O ATOM 192 CB ASN A 13 5.353 15.825 19.256 1.00 0.00 C ATOM 193 CG ASN A 13 4.859 17.268 19.191 1.00 0.00 C ATOM 194 OD1 ASN A 13 4.887 17.883 18.145 1.00 0.00 O ATOM 195 ND2 ASN A 13 4.398 17.834 20.270 1.00 0.00 N ATOM 0 H ASN A 13 2.932 14.429 18.866 1.00 0.00 H new ATOM 0 HA ASN A 13 5.110 15.551 17.132 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.024 15.356 20.184 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.443 15.800 19.255 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.060 18.796 20.237 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.375 17.315 21.148 1.00 0.00 H new ATOM 202 N SER A 14 5.720 13.094 16.949 1.00 0.00 N ATOM 203 CA SER A 14 6.255 11.712 16.962 1.00 0.00 C ATOM 204 C SER A 14 7.696 11.701 17.462 1.00 0.00 C ATOM 205 O SER A 14 8.494 12.553 17.127 1.00 0.00 O ATOM 206 CB SER A 14 6.197 11.128 15.552 1.00 0.00 C ATOM 207 OG SER A 14 7.291 11.626 14.793 1.00 0.00 O ATOM 0 H SER A 14 5.668 13.540 16.033 1.00 0.00 H new ATOM 0 HA SER A 14 5.647 11.107 17.635 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.235 10.039 15.595 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.255 11.396 15.073 1.00 0.00 H new ATOM 0 HG SER A 14 7.258 11.252 13.888 1.00 0.00 H new ATOM 213 N LEU A 15 8.029 10.718 18.246 1.00 0.00 N ATOM 214 CA LEU A 15 9.416 10.605 18.761 1.00 0.00 C ATOM 215 C LEU A 15 10.232 9.755 17.785 1.00 0.00 C ATOM 216 O LEU A 15 11.269 9.232 18.137 1.00 0.00 O ATOM 217 CB LEU A 15 9.408 9.928 20.135 1.00 0.00 C ATOM 218 CG LEU A 15 10.723 10.230 20.866 1.00 0.00 C ATOM 219 CD1 LEU A 15 10.595 11.549 21.629 1.00 0.00 C ATOM 220 CD2 LEU A 15 11.033 9.102 21.855 1.00 0.00 C ATOM 0 H LEU A 15 7.393 9.982 18.554 1.00 0.00 H new ATOM 0 HA LEU A 15 9.854 11.598 18.856 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.563 10.286 20.723 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.283 8.851 20.020 1.00 0.00 H new ATOM 0 HG LEU A 15 11.529 10.307 20.136 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.530 11.762 22.147 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.377 12.355 20.928 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.786 11.472 22.356 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.967 9.319 22.373 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.225 9.023 22.582 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.128 8.160 21.315 1.00 0.00 H new ATOM 232 N TRP A 16 9.821 9.664 16.542 1.00 0.00 N ATOM 233 CA TRP A 16 10.660 8.908 15.564 1.00 0.00 C ATOM 234 C TRP A 16 10.264 9.225 14.112 1.00 0.00 C ATOM 235 O TRP A 16 9.229 8.801 13.650 1.00 0.00 O ATOM 236 CB TRP A 16 10.513 7.393 15.794 1.00 0.00 C ATOM 237 CG TRP A 16 11.598 6.657 15.043 1.00 0.00 C ATOM 238 CD1 TRP A 16 12.726 6.152 15.603 1.00 0.00 C ATOM 239 CD2 TRP A 16 11.679 6.339 13.617 1.00 0.00 C ATOM 240 NE1 TRP A 16 13.494 5.559 14.611 1.00 0.00 N ATOM 241 CE2 TRP A 16 12.894 5.653 13.371 1.00 0.00 C ATOM 242 CE3 TRP A 16 10.833 6.581 12.524 1.00 0.00 C ATOM 243 CZ2 TRP A 16 13.247 5.231 12.082 1.00 0.00 C ATOM 244 CZ3 TRP A 16 11.184 6.160 11.240 1.00 0.00 C ATOM 245 CH2 TRP A 16 12.386 5.492 11.015 1.00 0.00 C ATOM 0 H TRP A 16 8.962 10.070 16.171 1.00 0.00 H new ATOM 0 HA TRP A 16 11.694 9.215 15.722 1.00 0.00 H new ATOM 0 HB2 TRP A 16 10.578 7.169 16.859 1.00 0.00 H new ATOM 0 HB3 TRP A 16 9.532 7.058 15.457 1.00 0.00 H new ATOM 0 HD1 TRP A 16 12.984 6.203 16.650 1.00 0.00 H new ATOM 0 HE1 TRP A 16 14.394 5.108 14.778 1.00 0.00 H new ATOM 0 HE3 TRP A 16 9.898 7.100 12.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 14.177 4.708 11.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 10.517 6.354 10.413 1.00 0.00 H new ATOM 0 HH2 TRP A 16 12.651 5.177 10.017 1.00 0.00 H new ATOM 256 N HIS A 17 11.064 9.968 13.394 1.00 0.00 N ATOM 257 CA HIS A 17 10.717 10.270 11.967 1.00 0.00 C ATOM 258 C HIS A 17 11.979 10.222 11.134 1.00 0.00 C ATOM 259 O HIS A 17 12.940 10.925 11.382 1.00 0.00 O ATOM 260 CB HIS A 17 10.081 11.636 11.807 1.00 0.00 C ATOM 261 CG HIS A 17 9.756 11.865 10.352 1.00 0.00 C ATOM 262 ND1 HIS A 17 9.397 10.828 9.499 1.00 0.00 N ATOM 263 CD2 HIS A 17 9.728 13.006 9.584 1.00 0.00 C ATOM 264 CE1 HIS A 17 9.169 11.358 8.280 1.00 0.00 C ATOM 265 NE2 HIS A 17 9.356 12.681 8.283 1.00 0.00 N ATOM 0 H HIS A 17 11.937 10.378 13.727 1.00 0.00 H new ATOM 0 HA HIS A 17 9.995 9.523 11.637 1.00 0.00 H new ATOM 0 HB2 HIS A 17 9.175 11.701 12.409 1.00 0.00 H new ATOM 0 HB3 HIS A 17 10.759 12.410 12.167 1.00 0.00 H new ATOM 0 HD1 HIS A 17 9.320 9.842 9.750 1.00 0.00 H new ATOM 0 HD2 HIS A 17 9.959 14.000 9.936 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.873 10.786 7.413 1.00 0.00 H new ATOM 274 N SER A 18 11.975 9.382 10.156 1.00 0.00 N ATOM 275 CA SER A 18 13.176 9.244 9.282 1.00 0.00 C ATOM 276 C SER A 18 12.793 8.619 7.946 1.00 0.00 C ATOM 277 O SER A 18 11.978 7.721 7.894 1.00 0.00 O ATOM 278 CB SER A 18 14.191 8.333 9.970 1.00 0.00 C ATOM 279 OG SER A 18 14.318 8.725 11.329 1.00 0.00 O ATOM 0 H SER A 18 11.191 8.776 9.914 1.00 0.00 H new ATOM 0 HA SER A 18 13.600 10.233 9.109 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.868 7.294 9.907 1.00 0.00 H new ATOM 0 HB3 SER A 18 15.156 8.398 9.468 1.00 0.00 H new ATOM 0 HG SER A 18 14.184 9.693 11.404 1.00 0.00 H new ATOM 285 N THR A 19 13.403 9.044 6.871 1.00 0.00 N ATOM 286 CA THR A 19 13.082 8.403 5.566 1.00 0.00 C ATOM 287 C THR A 19 14.387 8.042 4.846 1.00 0.00 C ATOM 288 O THR A 19 14.962 8.852 4.151 1.00 0.00 O ATOM 289 CB THR A 19 12.318 9.434 4.733 1.00 0.00 C ATOM 290 OG1 THR A 19 12.240 9.000 3.385 1.00 0.00 O ATOM 291 CG2 THR A 19 13.047 10.778 4.806 1.00 0.00 C ATOM 0 H THR A 19 14.096 9.792 6.840 1.00 0.00 H new ATOM 0 HA THR A 19 12.491 7.498 5.709 1.00 0.00 H new ATOM 0 HB THR A 19 11.308 9.546 5.126 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.450 8.431 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.507 11.517 4.214 1.00 0.00 H new ATOM 0 HG22 THR A 19 13.096 11.109 5.843 1.00 0.00 H new ATOM 0 HG23 THR A 19 14.057 10.666 4.413 1.00 0.00 H new ATOM 299 N ASN A 20 14.830 6.813 4.963 1.00 0.00 N ATOM 300 CA ASN A 20 16.066 6.370 4.243 1.00 0.00 C ATOM 301 C ASN A 20 15.832 4.974 3.649 1.00 0.00 C ATOM 302 O ASN A 20 15.016 4.229 4.154 1.00 0.00 O ATOM 303 CB ASN A 20 17.265 6.366 5.183 1.00 0.00 C ATOM 304 CG ASN A 20 18.382 7.199 4.550 1.00 0.00 C ATOM 305 OD1 ASN A 20 18.566 7.146 3.258 1.00 0.00 O flip ATOM 306 ND2 ASN A 20 19.087 7.912 5.237 1.00 0.00 N flip ATOM 0 H ASN A 20 14.385 6.092 5.531 1.00 0.00 H new ATOM 0 HA ASN A 20 16.283 7.070 3.436 1.00 0.00 H new ATOM 0 HB2 ASN A 20 16.987 6.779 6.153 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.606 5.346 5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 20 18.942 7.952 6.246 1.00 0.00 H new ATOM 0 HD22 ASN A 20 19.823 8.470 4.805 1.00 0.00 H new ATOM 313 N ALA A 21 16.512 4.589 2.594 1.00 0.00 N ATOM 314 CA ALA A 21 16.237 3.214 2.064 1.00 0.00 C ATOM 315 C ALA A 21 16.513 2.180 3.172 1.00 0.00 C ATOM 316 O ALA A 21 15.648 1.406 3.527 1.00 0.00 O ATOM 317 CB ALA A 21 17.163 2.925 0.873 1.00 0.00 C ATOM 0 H ALA A 21 17.214 5.137 2.096 1.00 0.00 H new ATOM 0 HA ALA A 21 15.197 3.152 1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 21 16.961 1.925 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.984 3.658 0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.202 2.987 1.197 1.00 0.00 H new ATOM 323 N GLU A 22 17.709 2.140 3.716 1.00 0.00 N ATOM 324 CA GLU A 22 18.008 1.131 4.782 1.00 0.00 C ATOM 325 C GLU A 22 17.214 1.442 6.054 1.00 0.00 C ATOM 326 O GLU A 22 16.899 0.562 6.815 1.00 0.00 O ATOM 327 CB GLU A 22 19.503 1.134 5.116 1.00 0.00 C ATOM 328 CG GLU A 22 20.316 0.678 3.903 1.00 0.00 C ATOM 329 CD GLU A 22 21.804 0.646 4.271 1.00 0.00 C ATOM 330 OE1 GLU A 22 22.136 1.103 5.353 1.00 0.00 O ATOM 331 OE2 GLU A 22 22.584 0.165 3.466 1.00 0.00 O ATOM 0 H GLU A 22 18.483 2.757 3.470 1.00 0.00 H new ATOM 0 HA GLU A 22 17.720 0.149 4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.814 2.135 5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.696 0.473 5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.988 -0.311 3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 22 20.152 1.356 3.065 1.00 0.00 H new ATOM 338 N GLU A 23 16.919 2.684 6.311 1.00 0.00 N ATOM 339 CA GLU A 23 16.165 3.005 7.560 1.00 0.00 C ATOM 340 C GLU A 23 14.725 2.499 7.427 1.00 0.00 C ATOM 341 O GLU A 23 14.210 1.840 8.306 1.00 0.00 O ATOM 342 CB GLU A 23 16.169 4.512 7.799 1.00 0.00 C ATOM 343 CG GLU A 23 17.597 4.959 8.124 1.00 0.00 C ATOM 344 CD GLU A 23 18.018 4.378 9.473 1.00 0.00 C ATOM 345 OE1 GLU A 23 17.144 3.955 10.211 1.00 0.00 O ATOM 346 OE2 GLU A 23 19.207 4.367 9.748 1.00 0.00 O ATOM 0 H GLU A 23 17.161 3.482 5.723 1.00 0.00 H new ATOM 0 HA GLU A 23 16.644 2.515 8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.802 5.035 6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.499 4.765 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 23 18.280 4.626 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.651 6.047 8.152 1.00 0.00 H new ATOM 353 N ILE A 24 14.067 2.790 6.338 1.00 0.00 N ATOM 354 CA ILE A 24 12.664 2.313 6.164 1.00 0.00 C ATOM 355 C ILE A 24 12.638 0.779 6.145 1.00 0.00 C ATOM 356 O ILE A 24 11.763 0.162 6.717 1.00 0.00 O ATOM 357 CB ILE A 24 12.122 2.860 4.839 1.00 0.00 C ATOM 358 CG1 ILE A 24 12.091 4.392 4.882 1.00 0.00 C ATOM 359 CG2 ILE A 24 10.707 2.345 4.616 1.00 0.00 C ATOM 360 CD1 ILE A 24 11.789 4.936 3.483 1.00 0.00 C ATOM 0 H ILE A 24 14.439 3.337 5.562 1.00 0.00 H new ATOM 0 HA ILE A 24 12.045 2.664 6.990 1.00 0.00 H new ATOM 0 HB ILE A 24 12.770 2.529 4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.332 4.731 5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.048 4.776 5.234 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.322 2.735 3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.718 1.256 4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.066 2.676 5.434 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.767 6.025 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.564 4.608 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.821 4.563 3.149 1.00 0.00 H new ATOM 372 N GLN A 25 13.585 0.158 5.499 1.00 0.00 N ATOM 373 CA GLN A 25 13.602 -1.335 5.454 1.00 0.00 C ATOM 374 C GLN A 25 13.880 -1.915 6.848 1.00 0.00 C ATOM 375 O GLN A 25 13.280 -2.881 7.249 1.00 0.00 O ATOM 376 CB GLN A 25 14.696 -1.790 4.491 1.00 0.00 C ATOM 377 CG GLN A 25 14.331 -1.360 3.072 1.00 0.00 C ATOM 378 CD GLN A 25 15.495 -1.671 2.132 1.00 0.00 C ATOM 379 OE1 GLN A 25 16.622 -1.811 2.565 1.00 0.00 O ATOM 380 NE2 GLN A 25 15.270 -1.788 0.852 1.00 0.00 N ATOM 0 H GLN A 25 14.348 0.617 5.000 1.00 0.00 H new ATOM 0 HA GLN A 25 12.629 -1.691 5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.654 -1.357 4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.810 -2.873 4.537 1.00 0.00 H new ATOM 0 HG2 GLN A 25 13.433 -1.882 2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 25 14.106 -0.294 3.050 1.00 0.00 H new ATOM 0 HE21 GLN A 25 14.325 -1.671 0.488 1.00 0.00 H new ATOM 0 HE22 GLN A 25 16.040 -1.997 0.216 1.00 0.00 H new ATOM 389 N GLN A 26 14.807 -1.351 7.571 1.00 0.00 N ATOM 390 CA GLN A 26 15.132 -1.889 8.929 1.00 0.00 C ATOM 391 C GLN A 26 13.942 -1.738 9.883 1.00 0.00 C ATOM 392 O GLN A 26 13.643 -2.631 10.645 1.00 0.00 O ATOM 393 CB GLN A 26 16.336 -1.145 9.509 1.00 0.00 C ATOM 394 CG GLN A 26 17.617 -1.596 8.803 1.00 0.00 C ATOM 395 CD GLN A 26 18.803 -0.803 9.358 1.00 0.00 C ATOM 396 OE1 GLN A 26 19.021 0.331 8.977 1.00 0.00 O ATOM 397 NE2 GLN A 26 19.582 -1.353 10.250 1.00 0.00 N ATOM 0 H GLN A 26 15.356 -0.541 7.283 1.00 0.00 H new ATOM 0 HA GLN A 26 15.364 -2.949 8.823 1.00 0.00 H new ATOM 0 HB2 GLN A 26 16.203 -0.070 9.388 1.00 0.00 H new ATOM 0 HB3 GLN A 26 16.413 -1.338 10.579 1.00 0.00 H new ATOM 0 HG2 GLN A 26 17.774 -2.664 8.956 1.00 0.00 H new ATOM 0 HG3 GLN A 26 17.529 -1.438 7.728 1.00 0.00 H new ATOM 0 HE21 GLN A 26 19.399 -2.304 10.570 1.00 0.00 H new ATOM 0 HE22 GLN A 26 20.373 -0.831 10.627 1.00 0.00 H new ATOM 406 N GLN A 27 13.273 -0.616 9.872 1.00 0.00 N ATOM 407 CA GLN A 27 12.118 -0.426 10.800 1.00 0.00 C ATOM 408 C GLN A 27 10.957 -1.337 10.392 1.00 0.00 C ATOM 409 O GLN A 27 10.311 -1.952 11.216 1.00 0.00 O ATOM 410 CB GLN A 27 11.668 1.035 10.732 1.00 0.00 C ATOM 411 CG GLN A 27 12.747 1.928 11.342 1.00 0.00 C ATOM 412 CD GLN A 27 12.702 1.805 12.865 1.00 0.00 C ATOM 413 OE1 GLN A 27 13.464 1.061 13.449 1.00 0.00 O ATOM 414 NE2 GLN A 27 11.829 2.504 13.536 1.00 0.00 N ATOM 0 H GLN A 27 13.475 0.176 9.262 1.00 0.00 H new ATOM 0 HA GLN A 27 12.422 -0.679 11.816 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.485 1.323 9.697 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.728 1.163 11.269 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.729 1.636 10.971 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.589 2.965 11.044 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.190 3.129 13.045 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.786 2.426 14.552 1.00 0.00 H new ATOM 423 N LEU A 28 10.681 -1.407 9.125 1.00 0.00 N ATOM 424 CA LEU A 28 9.550 -2.260 8.655 1.00 0.00 C ATOM 425 C LEU A 28 9.872 -3.740 8.921 1.00 0.00 C ATOM 426 O LEU A 28 9.024 -4.506 9.328 1.00 0.00 O ATOM 427 CB LEU A 28 9.334 -2.023 7.155 1.00 0.00 C ATOM 428 CG LEU A 28 8.634 -0.675 6.945 1.00 0.00 C ATOM 429 CD1 LEU A 28 8.886 -0.182 5.522 1.00 0.00 C ATOM 430 CD2 LEU A 28 7.125 -0.837 7.154 1.00 0.00 C ATOM 0 H LEU A 28 11.187 -0.912 8.390 1.00 0.00 H new ATOM 0 HA LEU A 28 8.640 -2.000 9.195 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.291 -2.033 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.732 -2.827 6.732 1.00 0.00 H new ATOM 0 HG LEU A 28 9.029 0.045 7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.387 0.776 5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.958 -0.062 5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.493 -0.908 4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.632 0.123 7.004 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.734 -1.561 6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.934 -1.188 8.168 1.00 0.00 H new ATOM 442 N ASN A 29 11.092 -4.138 8.706 1.00 0.00 N ATOM 443 CA ASN A 29 11.483 -5.557 8.954 1.00 0.00 C ATOM 444 C ASN A 29 11.450 -5.849 10.456 1.00 0.00 C ATOM 445 O ASN A 29 11.117 -6.936 10.883 1.00 0.00 O ATOM 446 CB ASN A 29 12.898 -5.787 8.422 1.00 0.00 C ATOM 447 CG ASN A 29 12.929 -5.502 6.920 1.00 0.00 C ATOM 448 OD1 ASN A 29 13.954 -5.137 6.380 1.00 0.00 O ATOM 449 ND2 ASN A 29 11.839 -5.650 6.221 1.00 0.00 N ATOM 0 H ASN A 29 11.844 -3.538 8.366 1.00 0.00 H new ATOM 0 HA ASN A 29 10.784 -6.221 8.445 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.603 -5.138 8.941 1.00 0.00 H new ATOM 0 HB3 ASN A 29 13.208 -6.814 8.615 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.846 -5.459 5.219 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.979 -5.957 6.676 1.00 0.00 H new ATOM 456 N ALA A 30 11.810 -4.886 11.258 1.00 0.00 N ATOM 457 CA ALA A 30 11.822 -5.102 12.731 1.00 0.00 C ATOM 458 C ALA A 30 10.410 -5.431 13.208 1.00 0.00 C ATOM 459 O ALA A 30 10.223 -6.056 14.233 1.00 0.00 O ATOM 460 CB ALA A 30 12.320 -3.836 13.434 1.00 0.00 C ATOM 0 H ALA A 30 12.097 -3.955 10.955 1.00 0.00 H new ATOM 0 HA ALA A 30 12.488 -5.931 12.970 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.328 -3.997 14.512 1.00 0.00 H new ATOM 0 HB2 ALA A 30 13.330 -3.605 13.095 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.658 -3.003 13.196 1.00 0.00 H new ATOM 466 N LYS A 31 9.412 -5.014 12.481 1.00 0.00 N ATOM 467 CA LYS A 31 8.016 -5.304 12.901 1.00 0.00 C ATOM 468 C LYS A 31 7.473 -6.476 12.077 1.00 0.00 C ATOM 469 O LYS A 31 6.329 -6.863 12.203 1.00 0.00 O ATOM 470 CB LYS A 31 7.167 -4.055 12.664 1.00 0.00 C ATOM 471 CG LYS A 31 5.807 -4.204 13.350 1.00 0.00 C ATOM 472 CD LYS A 31 5.205 -2.817 13.589 1.00 0.00 C ATOM 473 CE LYS A 31 5.018 -2.093 12.252 1.00 0.00 C ATOM 474 NZ LYS A 31 4.395 -0.761 12.492 1.00 0.00 N ATOM 0 H LYS A 31 9.504 -4.485 11.614 1.00 0.00 H new ATOM 0 HA LYS A 31 7.984 -5.572 13.957 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.683 -3.176 13.051 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.028 -3.898 11.594 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.138 -4.801 12.730 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.921 -4.732 14.297 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.246 -2.910 14.099 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.858 -2.235 14.240 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.980 -1.972 11.754 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.388 -2.687 11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.472 -0.718 12.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.263 -0.618 13.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.014 -0.015 12.115 1.00 0.00 H new ATOM 488 N GLY A 32 8.298 -7.052 11.244 1.00 0.00 N ATOM 489 CA GLY A 32 7.840 -8.209 10.421 1.00 0.00 C ATOM 490 C GLY A 32 7.202 -7.714 9.118 1.00 0.00 C ATOM 491 O GLY A 32 6.434 -8.417 8.491 1.00 0.00 O ATOM 0 H GLY A 32 9.268 -6.772 11.098 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.684 -8.861 10.196 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.120 -8.803 10.984 1.00 0.00 H new ATOM 495 N VAL A 33 7.524 -6.521 8.701 1.00 0.00 N ATOM 496 CA VAL A 33 6.944 -5.993 7.431 1.00 0.00 C ATOM 497 C VAL A 33 8.023 -6.004 6.346 1.00 0.00 C ATOM 498 O VAL A 33 9.129 -5.546 6.554 1.00 0.00 O ATOM 499 CB VAL A 33 6.440 -4.566 7.653 1.00 0.00 C ATOM 500 CG1 VAL A 33 5.913 -3.997 6.335 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.312 -4.585 8.687 1.00 0.00 C ATOM 0 H VAL A 33 8.163 -5.888 9.183 1.00 0.00 H new ATOM 0 HA VAL A 33 6.108 -6.619 7.117 1.00 0.00 H new ATOM 0 HB VAL A 33 7.258 -3.942 8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.554 -2.980 6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.715 -3.987 5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.094 -4.618 5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.949 -3.570 8.849 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.495 -5.208 8.323 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.687 -4.990 9.627 1.00 0.00 H new ATOM 511 N ARG A 34 7.715 -6.535 5.194 1.00 0.00 N ATOM 512 CA ARG A 34 8.735 -6.585 4.102 1.00 0.00 C ATOM 513 C ARG A 34 8.679 -5.293 3.285 1.00 0.00 C ATOM 514 O ARG A 34 7.628 -4.705 3.116 1.00 0.00 O ATOM 515 CB ARG A 34 8.449 -7.777 3.184 1.00 0.00 C ATOM 516 CG ARG A 34 8.609 -9.083 3.967 1.00 0.00 C ATOM 517 CD ARG A 34 8.440 -10.272 3.017 1.00 0.00 C ATOM 518 NE ARG A 34 8.350 -11.532 3.807 1.00 0.00 N ATOM 519 CZ ARG A 34 8.009 -12.648 3.222 1.00 0.00 C ATOM 520 NH1 ARG A 34 7.752 -12.662 1.942 1.00 0.00 N ATOM 521 NH2 ARG A 34 7.925 -13.749 3.917 1.00 0.00 N ATOM 0 H ARG A 34 6.806 -6.935 4.960 1.00 0.00 H new ATOM 0 HA ARG A 34 9.726 -6.694 4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.438 -7.704 2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.131 -7.766 2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.591 -9.118 4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 34 7.869 -9.134 4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.541 -10.144 2.414 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.283 -10.322 2.327 1.00 0.00 H new ATOM 0 HE ARG A 34 8.555 -11.523 4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.818 -11.801 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.486 -13.534 1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.126 -13.737 4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.659 -14.621 3.460 1.00 0.00 H new ATOM 535 N PHE A 35 9.793 -4.841 2.772 1.00 0.00 N ATOM 536 CA PHE A 35 9.783 -3.588 1.968 1.00 0.00 C ATOM 537 C PHE A 35 10.807 -3.717 0.841 1.00 0.00 C ATOM 538 O PHE A 35 11.930 -4.128 1.052 1.00 0.00 O ATOM 539 CB PHE A 35 10.168 -2.409 2.865 1.00 0.00 C ATOM 540 CG PHE A 35 9.844 -1.105 2.168 1.00 0.00 C ATOM 541 CD1 PHE A 35 8.521 -0.648 2.118 1.00 0.00 C ATOM 542 CD2 PHE A 35 10.868 -0.347 1.582 1.00 0.00 C ATOM 543 CE1 PHE A 35 8.221 0.562 1.485 1.00 0.00 C ATOM 544 CE2 PHE A 35 10.565 0.865 0.948 1.00 0.00 C ATOM 545 CZ PHE A 35 9.242 1.318 0.900 1.00 0.00 C ATOM 0 H PHE A 35 10.705 -5.285 2.876 1.00 0.00 H new ATOM 0 HA PHE A 35 8.789 -3.421 1.552 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.630 -2.469 3.811 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.232 -2.452 3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.732 -1.231 2.569 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.889 -0.697 1.619 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.200 0.913 1.448 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.353 1.450 0.496 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.009 2.252 0.411 1.00 0.00 H new ATOM 555 N GLU A 36 10.421 -3.384 -0.357 1.00 0.00 N ATOM 556 CA GLU A 36 11.364 -3.507 -1.501 1.00 0.00 C ATOM 557 C GLU A 36 11.153 -2.339 -2.461 1.00 0.00 C ATOM 558 O GLU A 36 10.093 -1.748 -2.511 1.00 0.00 O ATOM 559 CB GLU A 36 11.102 -4.828 -2.227 1.00 0.00 C ATOM 560 CG GLU A 36 12.158 -5.042 -3.311 1.00 0.00 C ATOM 561 CD GLU A 36 13.536 -5.191 -2.660 1.00 0.00 C ATOM 562 OE1 GLU A 36 13.584 -5.591 -1.509 1.00 0.00 O ATOM 563 OE2 GLU A 36 14.517 -4.901 -3.325 1.00 0.00 O ATOM 0 H GLU A 36 9.493 -3.032 -0.594 1.00 0.00 H new ATOM 0 HA GLU A 36 12.391 -3.490 -1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.124 -5.654 -1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.107 -4.817 -2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.921 -5.932 -3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.160 -4.200 -4.003 1.00 0.00 H new ATOM 570 N ARG A 37 12.157 -1.993 -3.218 1.00 0.00 N ATOM 571 CA ARG A 37 12.007 -0.855 -4.165 1.00 0.00 C ATOM 572 C ARG A 37 11.739 -1.379 -5.577 1.00 0.00 C ATOM 573 O ARG A 37 12.597 -1.971 -6.202 1.00 0.00 O ATOM 574 CB ARG A 37 13.295 -0.030 -4.161 1.00 0.00 C ATOM 575 CG ARG A 37 13.140 1.166 -5.102 1.00 0.00 C ATOM 576 CD ARG A 37 14.387 2.046 -5.019 1.00 0.00 C ATOM 577 NE ARG A 37 14.221 3.227 -5.911 1.00 0.00 N ATOM 578 CZ ARG A 37 15.134 4.158 -5.937 1.00 0.00 C ATOM 579 NH1 ARG A 37 16.188 4.060 -5.175 1.00 0.00 N ATOM 580 NH2 ARG A 37 14.992 5.189 -6.725 1.00 0.00 N ATOM 0 H ARG A 37 13.070 -2.447 -3.222 1.00 0.00 H new ATOM 0 HA ARG A 37 11.167 -0.234 -3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 37 13.515 0.315 -3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 37 14.136 -0.648 -4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.994 0.820 -6.125 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.256 1.743 -4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.547 2.373 -3.991 1.00 0.00 H new ATOM 0 HD3 ARG A 37 15.268 1.476 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 37 13.393 3.308 -6.502 1.00 0.00 H new ATOM 0 HH11 ARG A 37 16.298 3.255 -4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.902 4.788 -5.196 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.167 5.266 -7.320 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.706 5.917 -6.746 1.00 0.00 H new ATOM 594 N TRP A 38 10.552 -1.168 -6.091 1.00 0.00 N ATOM 595 CA TRP A 38 10.233 -1.661 -7.462 1.00 0.00 C ATOM 596 C TRP A 38 10.267 -0.485 -8.437 1.00 0.00 C ATOM 597 O TRP A 38 9.890 0.621 -8.107 1.00 0.00 O ATOM 598 CB TRP A 38 8.828 -2.275 -7.484 1.00 0.00 C ATOM 599 CG TRP A 38 8.790 -3.525 -6.665 1.00 0.00 C ATOM 600 CD1 TRP A 38 8.988 -3.597 -5.328 1.00 0.00 C ATOM 601 CD2 TRP A 38 8.517 -4.882 -7.109 1.00 0.00 C ATOM 602 NE1 TRP A 38 8.866 -4.912 -4.928 1.00 0.00 N ATOM 603 CE2 TRP A 38 8.575 -5.741 -5.988 1.00 0.00 C ATOM 604 CE3 TRP A 38 8.234 -5.447 -8.364 1.00 0.00 C ATOM 605 CZ2 TRP A 38 8.358 -7.109 -6.106 1.00 0.00 C ATOM 606 CZ3 TRP A 38 8.014 -6.828 -8.487 1.00 0.00 C ATOM 607 CH2 TRP A 38 8.076 -7.657 -7.358 1.00 0.00 C ATOM 0 H TRP A 38 9.793 -0.676 -5.619 1.00 0.00 H new ATOM 0 HA TRP A 38 10.966 -2.415 -7.749 1.00 0.00 H new ATOM 0 HB2 TRP A 38 8.105 -1.557 -7.097 1.00 0.00 H new ATOM 0 HB3 TRP A 38 8.538 -2.497 -8.511 1.00 0.00 H new ATOM 0 HD1 TRP A 38 9.206 -2.761 -4.680 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.978 -5.231 -3.966 1.00 0.00 H new ATOM 0 HE3 TRP A 38 8.185 -4.815 -9.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.407 -7.744 -5.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 7.796 -7.254 -9.455 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.906 -8.719 -7.457 1.00 0.00 H new ATOM 618 N GLN A 39 10.718 -0.717 -9.637 1.00 0.00 N ATOM 619 CA GLN A 39 10.783 0.385 -10.635 1.00 0.00 C ATOM 620 C GLN A 39 9.532 0.355 -11.520 1.00 0.00 C ATOM 621 O GLN A 39 9.259 -0.622 -12.188 1.00 0.00 O ATOM 622 CB GLN A 39 12.031 0.203 -11.500 1.00 0.00 C ATOM 623 CG GLN A 39 13.270 0.241 -10.602 1.00 0.00 C ATOM 624 CD GLN A 39 14.533 0.247 -11.464 1.00 0.00 C ATOM 625 OE1 GLN A 39 14.423 0.214 -12.763 1.00 0.00 O flip ATOM 626 NE2 GLN A 39 15.633 0.286 -10.949 1.00 0.00 N flip ATOM 0 H GLN A 39 11.045 -1.624 -9.970 1.00 0.00 H new ATOM 0 HA GLN A 39 10.831 1.344 -10.120 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.983 -0.745 -12.035 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.086 0.991 -12.251 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.246 1.129 -9.970 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.276 -0.623 -9.938 1.00 0.00 H new ATOM 0 HE21 GLN A 39 15.720 0.312 -9.933 1.00 0.00 H new ATOM 0 HE22 GLN A 39 16.469 0.293 -11.533 1.00 0.00 H new ATOM 635 N ALA A 40 8.775 1.420 -11.536 1.00 0.00 N ATOM 636 CA ALA A 40 7.550 1.457 -12.386 1.00 0.00 C ATOM 637 C ALA A 40 7.824 2.335 -13.616 1.00 0.00 C ATOM 638 O ALA A 40 7.189 3.349 -13.827 1.00 0.00 O ATOM 639 CB ALA A 40 6.385 2.030 -11.568 1.00 0.00 C ATOM 0 H ALA A 40 8.953 2.267 -10.996 1.00 0.00 H new ATOM 0 HA ALA A 40 7.287 0.452 -12.716 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.487 2.059 -12.185 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.207 1.399 -10.697 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.633 3.039 -11.240 1.00 0.00 H new ATOM 645 N ASP A 41 8.777 1.948 -14.424 1.00 0.00 N ATOM 646 CA ASP A 41 9.114 2.749 -15.638 1.00 0.00 C ATOM 647 C ASP A 41 8.336 2.219 -16.842 1.00 0.00 C ATOM 648 O ASP A 41 8.478 2.709 -17.946 1.00 0.00 O ATOM 649 CB ASP A 41 10.618 2.659 -15.926 1.00 0.00 C ATOM 650 CG ASP A 41 10.979 1.235 -16.355 1.00 0.00 C ATOM 651 OD1 ASP A 41 10.672 0.879 -17.481 1.00 0.00 O ATOM 652 OD2 ASP A 41 11.564 0.527 -15.552 1.00 0.00 O ATOM 0 H ASP A 41 9.339 1.107 -14.294 1.00 0.00 H new ATOM 0 HA ASP A 41 8.843 3.789 -15.459 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.890 3.365 -16.710 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.185 2.936 -15.037 1.00 0.00 H new ATOM 657 N ARG A 42 7.524 1.214 -16.652 1.00 0.00 N ATOM 658 CA ARG A 42 6.760 0.660 -17.805 1.00 0.00 C ATOM 659 C ARG A 42 5.469 1.457 -17.995 1.00 0.00 C ATOM 660 O ARG A 42 4.664 1.587 -17.093 1.00 0.00 O ATOM 661 CB ARG A 42 6.411 -0.804 -17.530 1.00 0.00 C ATOM 662 CG ARG A 42 7.684 -1.651 -17.537 1.00 0.00 C ATOM 663 CD ARG A 42 7.511 -2.802 -18.527 1.00 0.00 C ATOM 664 NE ARG A 42 7.394 -2.245 -19.903 1.00 0.00 N ATOM 665 CZ ARG A 42 7.209 -3.041 -20.919 1.00 0.00 C ATOM 666 NH1 ARG A 42 7.134 -4.331 -20.734 1.00 0.00 N ATOM 667 NH2 ARG A 42 7.100 -2.546 -22.121 1.00 0.00 N ATOM 0 H ARG A 42 7.358 0.756 -15.756 1.00 0.00 H new ATOM 0 HA ARG A 42 7.368 0.729 -18.707 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.910 -0.893 -16.566 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.716 -1.170 -18.286 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.542 -1.039 -17.817 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.883 -2.040 -16.538 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.361 -3.481 -18.467 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.622 -3.382 -18.279 1.00 0.00 H new ATOM 0 HE ARG A 42 7.459 -1.238 -20.051 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.220 -4.717 -19.794 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.989 -4.953 -21.530 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.160 -1.538 -22.265 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.955 -3.167 -22.917 1.00 0.00 H new ATOM 681 N ASP A 43 5.271 1.996 -19.169 1.00 0.00 N ATOM 682 CA ASP A 43 4.040 2.793 -19.434 1.00 0.00 C ATOM 683 C ASP A 43 2.916 1.872 -19.909 1.00 0.00 C ATOM 684 O ASP A 43 3.120 0.999 -20.731 1.00 0.00 O ATOM 685 CB ASP A 43 4.337 3.840 -20.507 1.00 0.00 C ATOM 686 CG ASP A 43 5.357 4.842 -19.964 1.00 0.00 C ATOM 687 OD1 ASP A 43 5.545 4.870 -18.758 1.00 0.00 O ATOM 688 OD2 ASP A 43 5.933 5.563 -20.761 1.00 0.00 O ATOM 0 H ASP A 43 5.912 1.917 -19.958 1.00 0.00 H new ATOM 0 HA ASP A 43 3.726 3.290 -18.516 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.725 3.358 -21.404 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.420 4.355 -20.793 1.00 0.00 H new ATOM 693 N LEU A 44 1.731 2.061 -19.393 1.00 0.00 N ATOM 694 CA LEU A 44 0.585 1.202 -19.797 1.00 0.00 C ATOM 695 C LEU A 44 -0.439 2.031 -20.577 1.00 0.00 C ATOM 696 O LEU A 44 -1.521 1.569 -20.873 1.00 0.00 O ATOM 697 CB LEU A 44 -0.078 0.602 -18.551 1.00 0.00 C ATOM 698 CG LEU A 44 0.147 1.497 -17.318 1.00 0.00 C ATOM 699 CD1 LEU A 44 -0.700 0.970 -16.171 1.00 0.00 C ATOM 700 CD2 LEU A 44 1.620 1.473 -16.903 1.00 0.00 C ATOM 0 H LEU A 44 1.508 2.779 -18.704 1.00 0.00 H new ATOM 0 HA LEU A 44 0.952 0.396 -20.433 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.147 0.481 -18.726 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.328 -0.392 -18.362 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.134 2.521 -17.562 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.550 1.595 -15.291 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.752 0.991 -16.456 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.406 -0.055 -15.943 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.763 2.110 -16.030 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.912 0.452 -16.658 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.235 1.840 -17.724 1.00 0.00 H new ATOM 712 N GLY A 45 -0.107 3.250 -20.908 1.00 0.00 N ATOM 713 CA GLY A 45 -1.064 4.110 -21.663 1.00 0.00 C ATOM 714 C GLY A 45 -1.270 5.413 -20.892 1.00 0.00 C ATOM 715 O GLY A 45 -0.487 5.754 -20.030 1.00 0.00 O ATOM 0 H GLY A 45 0.787 3.688 -20.688 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.677 4.319 -22.660 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.015 3.593 -21.792 1.00 0.00 H new ATOM 719 N ALA A 46 -2.314 6.146 -21.174 1.00 0.00 N ATOM 720 CA ALA A 46 -2.542 7.411 -20.428 1.00 0.00 C ATOM 721 C ALA A 46 -3.309 7.100 -19.144 1.00 0.00 C ATOM 722 O ALA A 46 -2.892 7.458 -18.062 1.00 0.00 O ATOM 723 CB ALA A 46 -3.360 8.376 -21.287 1.00 0.00 C ATOM 0 H ALA A 46 -3.012 5.923 -21.884 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.584 7.870 -20.186 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.525 9.302 -20.737 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.818 8.592 -22.208 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.321 7.922 -21.530 1.00 0.00 H new ATOM 729 N ALA A 47 -4.414 6.407 -19.248 1.00 0.00 N ATOM 730 CA ALA A 47 -5.180 6.043 -18.026 1.00 0.00 C ATOM 731 C ALA A 47 -4.912 4.568 -17.691 1.00 0.00 C ATOM 732 O ALA A 47 -5.158 3.704 -18.509 1.00 0.00 O ATOM 733 CB ALA A 47 -6.676 6.215 -18.295 1.00 0.00 C ATOM 0 H ALA A 47 -4.816 6.079 -20.126 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.874 6.683 -17.199 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.239 5.949 -17.401 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.881 7.253 -18.558 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.975 5.566 -19.118 1.00 0.00 H new ATOM 739 N PRO A 48 -4.450 4.254 -16.511 1.00 0.00 N ATOM 740 CA PRO A 48 -4.207 2.850 -16.119 1.00 0.00 C ATOM 741 C PRO A 48 -5.512 2.162 -15.723 1.00 0.00 C ATOM 742 O PRO A 48 -6.320 2.713 -15.005 1.00 0.00 O ATOM 743 CB PRO A 48 -3.275 2.966 -14.923 1.00 0.00 C ATOM 744 CG PRO A 48 -3.611 4.276 -14.303 1.00 0.00 C ATOM 745 CD PRO A 48 -4.099 5.176 -15.435 1.00 0.00 C ATOM 0 HA PRO A 48 -3.786 2.253 -16.928 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.428 2.146 -14.222 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.230 2.931 -15.231 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.381 4.159 -13.541 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.739 4.708 -13.812 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.958 5.771 -15.126 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.324 5.875 -15.749 1.00 0.00 H new ATOM 753 N THR A 49 -5.714 0.961 -16.169 1.00 0.00 N ATOM 754 CA THR A 49 -6.953 0.202 -15.811 1.00 0.00 C ATOM 755 C THR A 49 -6.551 -1.040 -15.013 1.00 0.00 C ATOM 756 O THR A 49 -5.391 -1.242 -14.715 1.00 0.00 O ATOM 757 CB THR A 49 -7.688 -0.233 -17.080 1.00 0.00 C ATOM 758 OG1 THR A 49 -7.374 0.660 -18.137 1.00 0.00 O ATOM 759 CG2 THR A 49 -9.198 -0.226 -16.830 1.00 0.00 C ATOM 0 H THR A 49 -5.067 0.458 -16.777 1.00 0.00 H new ATOM 0 HA THR A 49 -7.612 0.838 -15.220 1.00 0.00 H new ATOM 0 HB THR A 49 -7.375 -1.241 -17.352 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.843 0.381 -18.951 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.718 -0.536 -17.736 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.436 -0.916 -16.020 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.517 0.779 -16.555 1.00 0.00 H new ATOM 767 N ALA A 50 -7.490 -1.885 -14.666 1.00 0.00 N ATOM 768 CA ALA A 50 -7.118 -3.107 -13.895 1.00 0.00 C ATOM 769 C ALA A 50 -6.538 -4.180 -14.829 1.00 0.00 C ATOM 770 O ALA A 50 -5.492 -4.728 -14.567 1.00 0.00 O ATOM 771 CB ALA A 50 -8.360 -3.661 -13.195 1.00 0.00 C ATOM 0 H ALA A 50 -8.482 -1.783 -14.880 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.362 -2.840 -13.157 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.092 -4.554 -12.631 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.760 -2.909 -12.515 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.114 -3.915 -13.940 1.00 0.00 H new ATOM 777 N GLU A 51 -7.216 -4.514 -15.895 1.00 0.00 N ATOM 778 CA GLU A 51 -6.689 -5.584 -16.805 1.00 0.00 C ATOM 779 C GLU A 51 -5.326 -5.173 -17.364 1.00 0.00 C ATOM 780 O GLU A 51 -4.420 -5.969 -17.461 1.00 0.00 O ATOM 781 CB GLU A 51 -7.659 -5.780 -17.967 1.00 0.00 C ATOM 782 CG GLU A 51 -9.000 -6.277 -17.435 1.00 0.00 C ATOM 783 CD GLU A 51 -9.960 -6.477 -18.607 1.00 0.00 C ATOM 784 OE1 GLU A 51 -9.639 -6.018 -19.692 1.00 0.00 O ATOM 785 OE2 GLU A 51 -10.996 -7.083 -18.403 1.00 0.00 O ATOM 0 H GLU A 51 -8.104 -4.099 -16.177 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.585 -6.511 -16.240 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.794 -4.841 -18.503 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.250 -6.497 -18.679 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.866 -7.214 -16.895 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.414 -5.558 -16.728 1.00 0.00 H new ATOM 792 N THR A 52 -5.192 -3.944 -17.755 1.00 0.00 N ATOM 793 CA THR A 52 -3.878 -3.520 -18.324 1.00 0.00 C ATOM 794 C THR A 52 -2.859 -3.490 -17.183 1.00 0.00 C ATOM 795 O THR A 52 -1.869 -4.173 -17.214 1.00 0.00 O ATOM 796 CB THR A 52 -4.006 -2.128 -18.956 1.00 0.00 C ATOM 797 OG1 THR A 52 -2.712 -1.645 -19.289 1.00 0.00 O ATOM 798 CG2 THR A 52 -4.673 -1.158 -17.977 1.00 0.00 C ATOM 0 H THR A 52 -5.913 -3.224 -17.710 1.00 0.00 H new ATOM 0 HA THR A 52 -3.556 -4.216 -19.098 1.00 0.00 H new ATOM 0 HB THR A 52 -4.620 -2.201 -19.854 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.789 -0.756 -19.695 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.757 -0.175 -18.440 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.667 -1.525 -17.722 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.070 -1.083 -17.072 1.00 0.00 H new ATOM 806 N VAL A 53 -3.080 -2.689 -16.192 1.00 0.00 N ATOM 807 CA VAL A 53 -2.095 -2.605 -15.077 1.00 0.00 C ATOM 808 C VAL A 53 -1.703 -4.025 -14.652 1.00 0.00 C ATOM 809 O VAL A 53 -0.600 -4.279 -14.219 1.00 0.00 O ATOM 810 CB VAL A 53 -2.735 -1.870 -13.896 1.00 0.00 C ATOM 811 CG1 VAL A 53 -1.809 -1.917 -12.681 1.00 0.00 C ATOM 812 CG2 VAL A 53 -2.986 -0.412 -14.281 1.00 0.00 C ATOM 0 H VAL A 53 -3.897 -2.086 -16.099 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.207 -2.063 -15.401 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.678 -2.356 -13.646 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.275 -1.391 -11.848 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.630 -2.955 -12.400 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.861 -1.439 -12.927 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.442 0.113 -13.441 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.040 0.065 -14.537 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.656 -0.373 -15.140 1.00 0.00 H new ATOM 822 N ILE A 54 -2.600 -4.947 -14.782 1.00 0.00 N ATOM 823 CA ILE A 54 -2.292 -6.354 -14.399 1.00 0.00 C ATOM 824 C ILE A 54 -1.341 -7.016 -15.411 1.00 0.00 C ATOM 825 O ILE A 54 -0.310 -7.536 -15.047 1.00 0.00 O ATOM 826 CB ILE A 54 -3.590 -7.153 -14.333 1.00 0.00 C ATOM 827 CG1 ILE A 54 -4.263 -6.948 -12.965 1.00 0.00 C ATOM 828 CG2 ILE A 54 -3.288 -8.633 -14.568 1.00 0.00 C ATOM 829 CD1 ILE A 54 -3.362 -7.447 -11.825 1.00 0.00 C ATOM 0 H ILE A 54 -3.543 -4.793 -15.139 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.801 -6.343 -13.426 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.273 -6.805 -15.108 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.486 -5.891 -12.821 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.214 -7.480 -12.941 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.214 -9.205 -14.521 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.832 -8.760 -15.550 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.601 -8.991 -13.801 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.863 -7.290 -10.870 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.161 -8.510 -11.959 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.422 -6.896 -11.837 1.00 0.00 H new ATOM 841 N ALA A 55 -1.697 -7.028 -16.673 1.00 0.00 N ATOM 842 CA ALA A 55 -0.833 -7.694 -17.699 1.00 0.00 C ATOM 843 C ALA A 55 0.523 -6.988 -17.824 1.00 0.00 C ATOM 844 O ALA A 55 1.542 -7.621 -18.019 1.00 0.00 O ATOM 845 CB ALA A 55 -1.542 -7.654 -19.055 1.00 0.00 C ATOM 0 H ALA A 55 -2.550 -6.605 -17.038 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.660 -8.724 -17.387 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.918 -8.138 -19.806 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.495 -8.178 -18.983 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.719 -6.618 -19.343 1.00 0.00 H new ATOM 851 N ALA A 56 0.550 -5.686 -17.738 1.00 0.00 N ATOM 852 CA ALA A 56 1.861 -5.001 -17.889 1.00 0.00 C ATOM 853 C ALA A 56 2.728 -5.316 -16.672 1.00 0.00 C ATOM 854 O ALA A 56 3.801 -5.872 -16.809 1.00 0.00 O ATOM 855 CB ALA A 56 1.617 -3.489 -17.969 1.00 0.00 C ATOM 0 H ALA A 56 -0.256 -5.082 -17.574 1.00 0.00 H new ATOM 0 HA ALA A 56 2.366 -5.342 -18.793 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.570 -2.972 -18.080 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.982 -3.268 -18.827 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.125 -3.151 -17.057 1.00 0.00 H new ATOM 861 N TYR A 57 2.321 -4.970 -15.482 1.00 0.00 N ATOM 862 CA TYR A 57 3.196 -5.265 -14.322 1.00 0.00 C ATOM 863 C TYR A 57 3.105 -6.745 -13.979 1.00 0.00 C ATOM 864 O TYR A 57 3.539 -7.168 -12.932 1.00 0.00 O ATOM 865 CB TYR A 57 2.773 -4.419 -13.116 1.00 0.00 C ATOM 866 CG TYR A 57 2.951 -2.957 -13.443 1.00 0.00 C ATOM 867 CD1 TYR A 57 4.230 -2.386 -13.437 1.00 0.00 C ATOM 868 CD2 TYR A 57 1.838 -2.174 -13.748 1.00 0.00 C ATOM 869 CE1 TYR A 57 4.389 -1.027 -13.741 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.993 -0.817 -14.050 1.00 0.00 C ATOM 871 CZ TYR A 57 3.271 -0.243 -14.048 1.00 0.00 C ATOM 872 OH TYR A 57 3.427 1.096 -14.347 1.00 0.00 O ATOM 0 H TYR A 57 1.438 -4.505 -15.268 1.00 0.00 H new ATOM 0 HA TYR A 57 4.226 -5.019 -14.578 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.733 -4.622 -12.862 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.371 -4.684 -12.244 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.092 -2.992 -13.199 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.853 -2.617 -13.751 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.374 -0.585 -13.738 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.129 -0.213 -14.284 1.00 0.00 H new ATOM 0 HH TYR A 57 3.828 1.188 -15.237 1.00 0.00 H new ATOM 882 N GLN A 58 2.552 -7.536 -14.858 1.00 0.00 N ATOM 883 CA GLN A 58 2.453 -8.996 -14.581 1.00 0.00 C ATOM 884 C GLN A 58 3.854 -9.560 -14.373 1.00 0.00 C ATOM 885 O GLN A 58 4.117 -10.268 -13.421 1.00 0.00 O ATOM 886 CB GLN A 58 1.798 -9.681 -15.782 1.00 0.00 C ATOM 887 CG GLN A 58 1.776 -11.194 -15.580 1.00 0.00 C ATOM 888 CD GLN A 58 1.022 -11.526 -14.292 1.00 0.00 C ATOM 889 OE1 GLN A 58 0.118 -10.697 -13.843 1.00 0.00 O flip ATOM 890 NE2 GLN A 58 1.260 -12.552 -13.688 1.00 0.00 N flip ATOM 0 H GLN A 58 2.166 -7.235 -15.753 1.00 0.00 H new ATOM 0 HA GLN A 58 1.855 -9.170 -13.686 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.782 -9.310 -15.912 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.345 -9.436 -16.692 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.295 -11.678 -16.430 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.794 -11.579 -15.527 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.966 -13.199 -14.040 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.754 -12.767 -12.829 1.00 0.00 H new ATOM 899 N HIS A 59 4.754 -9.258 -15.263 1.00 0.00 N ATOM 900 CA HIS A 59 6.135 -9.770 -15.147 1.00 0.00 C ATOM 901 C HIS A 59 6.690 -9.395 -13.770 1.00 0.00 C ATOM 902 O HIS A 59 7.569 -10.049 -13.244 1.00 0.00 O ATOM 903 CB HIS A 59 6.972 -9.136 -16.263 1.00 0.00 C ATOM 904 CG HIS A 59 7.322 -7.720 -15.895 1.00 0.00 C ATOM 905 ND1 HIS A 59 8.046 -7.193 -14.856 1.00 0.00 N flip ATOM 906 CD2 HIS A 59 6.903 -6.635 -16.653 1.00 0.00 C flip ATOM 907 CE1 HIS A 59 8.075 -5.810 -14.965 1.00 0.00 C flip ATOM 908 NE2 HIS A 59 7.375 -5.523 -16.061 1.00 0.00 N flip ATOM 0 H HIS A 59 4.583 -8.668 -16.077 1.00 0.00 H new ATOM 0 HA HIS A 59 6.163 -10.855 -15.247 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.881 -9.716 -16.422 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.416 -9.151 -17.200 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.307 -6.676 -17.553 1.00 0.00 H new ATOM 0 HE1 HIS A 59 8.563 -5.113 -14.300 1.00 0.00 H new ATOM 0 HE2 HIS A 59 7.216 -4.577 -16.409 1.00 0.00 H new ATOM 917 N ALA A 60 6.168 -8.352 -13.177 1.00 0.00 N ATOM 918 CA ALA A 60 6.646 -7.939 -11.823 1.00 0.00 C ATOM 919 C ALA A 60 5.896 -8.741 -10.753 1.00 0.00 C ATOM 920 O ALA A 60 6.439 -9.080 -9.720 1.00 0.00 O ATOM 921 CB ALA A 60 6.390 -6.441 -11.617 1.00 0.00 C ATOM 0 H ALA A 60 5.431 -7.768 -13.572 1.00 0.00 H new ATOM 0 HA ALA A 60 7.715 -8.133 -11.742 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.740 -6.145 -10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.926 -5.872 -12.377 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.322 -6.240 -11.699 1.00 0.00 H new ATOM 927 N ILE A 61 4.650 -9.048 -10.995 1.00 0.00 N ATOM 928 CA ILE A 61 3.858 -9.826 -10.001 1.00 0.00 C ATOM 929 C ILE A 61 4.494 -11.200 -9.808 1.00 0.00 C ATOM 930 O ILE A 61 4.530 -11.727 -8.715 1.00 0.00 O ATOM 931 CB ILE A 61 2.417 -9.987 -10.504 1.00 0.00 C ATOM 932 CG1 ILE A 61 1.734 -8.617 -10.537 1.00 0.00 C ATOM 933 CG2 ILE A 61 1.641 -10.920 -9.572 1.00 0.00 C ATOM 934 CD1 ILE A 61 0.373 -8.738 -11.226 1.00 0.00 C ATOM 0 H ILE A 61 4.145 -8.792 -11.843 1.00 0.00 H new ATOM 0 HA ILE A 61 3.848 -9.296 -9.048 1.00 0.00 H new ATOM 0 HB ILE A 61 2.433 -10.414 -11.507 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.607 -8.238 -9.523 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.360 -7.900 -11.069 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.619 -11.030 -9.935 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.125 -11.897 -9.549 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.626 -10.499 -8.567 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.112 -7.762 -11.248 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.512 -9.098 -12.246 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.252 -9.441 -10.675 1.00 0.00 H new ATOM 946 N ASP A 62 5.002 -11.787 -10.859 1.00 0.00 N ATOM 947 CA ASP A 62 5.641 -13.123 -10.728 1.00 0.00 C ATOM 948 C ASP A 62 7.016 -12.978 -10.069 1.00 0.00 C ATOM 949 O ASP A 62 7.493 -13.879 -9.407 1.00 0.00 O ATOM 950 CB ASP A 62 5.802 -13.748 -12.114 1.00 0.00 C ATOM 951 CG ASP A 62 6.105 -15.237 -11.965 1.00 0.00 C ATOM 952 OD1 ASP A 62 5.905 -15.753 -10.879 1.00 0.00 O ATOM 953 OD2 ASP A 62 6.528 -15.837 -12.940 1.00 0.00 O ATOM 0 H ASP A 62 5.001 -11.397 -11.801 1.00 0.00 H new ATOM 0 HA ASP A 62 5.013 -13.764 -10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.892 -13.607 -12.697 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.608 -13.254 -12.657 1.00 0.00 H new ATOM 958 N LYS A 63 7.662 -11.854 -10.246 1.00 0.00 N ATOM 959 CA LYS A 63 9.008 -11.675 -9.631 1.00 0.00 C ATOM 960 C LYS A 63 8.880 -11.755 -8.113 1.00 0.00 C ATOM 961 O LYS A 63 9.669 -12.403 -7.457 1.00 0.00 O ATOM 962 CB LYS A 63 9.573 -10.308 -10.033 1.00 0.00 C ATOM 963 CG LYS A 63 10.960 -10.109 -9.418 1.00 0.00 C ATOM 964 CD LYS A 63 11.437 -8.683 -9.703 1.00 0.00 C ATOM 965 CE LYS A 63 12.552 -8.317 -8.723 1.00 0.00 C ATOM 966 NZ LYS A 63 13.451 -9.490 -8.530 1.00 0.00 N ATOM 0 H LYS A 63 7.318 -11.060 -10.785 1.00 0.00 H new ATOM 0 HA LYS A 63 9.681 -12.458 -9.980 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.635 -10.237 -11.119 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.902 -9.516 -9.699 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.923 -10.285 -8.343 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.663 -10.830 -9.835 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.799 -8.607 -10.728 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.607 -7.983 -9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.121 -7.469 -9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.125 -8.012 -7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.367 -9.168 -8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.017 -10.153 -7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.598 -9.968 -9.442 1.00 0.00 H new ATOM 980 N LEU A 64 7.944 -11.059 -7.534 1.00 0.00 N ATOM 981 CA LEU A 64 7.861 -11.067 -6.053 1.00 0.00 C ATOM 982 C LEU A 64 7.917 -12.513 -5.600 1.00 0.00 C ATOM 983 O LEU A 64 8.891 -12.941 -5.012 1.00 0.00 O ATOM 984 CB LEU A 64 6.504 -10.469 -5.644 1.00 0.00 C ATOM 985 CG LEU A 64 6.245 -10.667 -4.155 1.00 0.00 C ATOM 986 CD1 LEU A 64 7.469 -10.243 -3.363 1.00 0.00 C ATOM 987 CD2 LEU A 64 5.064 -9.792 -3.739 1.00 0.00 C ATOM 0 H LEU A 64 7.244 -10.494 -8.015 1.00 0.00 H new ATOM 0 HA LEU A 64 8.672 -10.492 -5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.485 -9.405 -5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.707 -10.939 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 64 6.028 -11.717 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.281 -10.386 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.325 -10.847 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.681 -9.191 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.869 -9.925 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.299 -8.746 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.180 -10.079 -4.308 1.00 0.00 H new ATOM 999 N VAL A 65 6.929 -13.286 -5.886 1.00 0.00 N ATOM 1000 CA VAL A 65 7.003 -14.706 -5.486 1.00 0.00 C ATOM 1001 C VAL A 65 6.281 -15.555 -6.518 1.00 0.00 C ATOM 1002 O VAL A 65 5.105 -15.366 -6.759 1.00 0.00 O ATOM 1003 CB VAL A 65 6.338 -14.871 -4.131 1.00 0.00 C ATOM 1004 CG1 VAL A 65 6.046 -16.349 -3.886 1.00 0.00 C ATOM 1005 CG2 VAL A 65 7.266 -14.343 -3.035 1.00 0.00 C ATOM 0 H VAL A 65 6.079 -13.005 -6.374 1.00 0.00 H new ATOM 0 HA VAL A 65 8.044 -15.023 -5.424 1.00 0.00 H new ATOM 0 HB VAL A 65 5.405 -14.308 -4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.569 -16.469 -2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.382 -16.723 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.979 -16.912 -3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.786 -14.462 -2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.201 -14.903 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.472 -13.287 -3.210 1.00 0.00 H new ATOM 1015 N ALA A 66 6.947 -16.509 -7.108 1.00 0.00 N ATOM 1016 CA ALA A 66 6.242 -17.370 -8.092 1.00 0.00 C ATOM 1017 C ALA A 66 6.024 -18.739 -7.456 1.00 0.00 C ATOM 1018 O ALA A 66 6.933 -19.538 -7.344 1.00 0.00 O ATOM 1019 CB ALA A 66 7.120 -17.520 -9.338 1.00 0.00 C ATOM 0 H ALA A 66 7.932 -16.726 -6.954 1.00 0.00 H new ATOM 0 HA ALA A 66 5.285 -16.930 -8.373 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.612 -18.151 -10.067 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.305 -16.538 -9.773 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.069 -17.978 -9.061 1.00 0.00 H new ATOM 1025 N GLU A 67 4.816 -19.022 -7.061 1.00 0.00 N ATOM 1026 CA GLU A 67 4.510 -20.345 -6.455 1.00 0.00 C ATOM 1027 C GLU A 67 2.994 -20.505 -6.355 1.00 0.00 C ATOM 1028 O GLU A 67 2.263 -19.537 -6.422 1.00 0.00 O ATOM 1029 CB GLU A 67 5.150 -20.438 -5.069 1.00 0.00 C ATOM 1030 CG GLU A 67 4.347 -19.601 -4.079 1.00 0.00 C ATOM 1031 CD GLU A 67 5.142 -19.448 -2.781 1.00 0.00 C ATOM 1032 OE1 GLU A 67 6.182 -20.078 -2.668 1.00 0.00 O ATOM 1033 OE2 GLU A 67 4.700 -18.701 -1.923 1.00 0.00 O ATOM 0 H GLU A 67 4.021 -18.387 -7.133 1.00 0.00 H new ATOM 0 HA GLU A 67 4.916 -21.143 -7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.182 -21.477 -4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.180 -20.084 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.132 -18.621 -4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.388 -20.078 -3.877 1.00 0.00 H new ATOM 1040 N LYS A 68 2.515 -21.701 -6.156 1.00 0.00 N ATOM 1041 CA LYS A 68 1.043 -21.904 -6.011 1.00 0.00 C ATOM 1042 C LYS A 68 0.285 -21.000 -6.994 1.00 0.00 C ATOM 1043 O LYS A 68 0.846 -20.487 -7.943 1.00 0.00 O ATOM 1044 CB LYS A 68 0.639 -21.544 -4.572 1.00 0.00 C ATOM 1045 CG LYS A 68 0.788 -22.774 -3.666 1.00 0.00 C ATOM 1046 CD LYS A 68 2.272 -23.091 -3.466 1.00 0.00 C ATOM 1047 CE LYS A 68 2.420 -24.280 -2.513 1.00 0.00 C ATOM 1048 NZ LYS A 68 3.865 -24.616 -2.358 1.00 0.00 N ATOM 0 H LYS A 68 3.078 -22.549 -6.087 1.00 0.00 H new ATOM 0 HA LYS A 68 0.794 -22.943 -6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.264 -20.731 -4.202 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.391 -21.189 -4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.313 -22.588 -2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.280 -23.629 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.737 -23.320 -4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.789 -22.221 -3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.986 -24.038 -1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.875 -25.141 -2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.966 -25.424 -1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.265 -24.863 -3.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.372 -23.795 -1.970 1.00 0.00 H new ATOM 1062 N GLY A 69 -0.987 -20.798 -6.772 1.00 0.00 N ATOM 1063 CA GLY A 69 -1.777 -19.924 -7.684 1.00 0.00 C ATOM 1064 C GLY A 69 -1.926 -18.534 -7.056 1.00 0.00 C ATOM 1065 O GLY A 69 -2.608 -17.678 -7.582 1.00 0.00 O ATOM 0 H GLY A 69 -1.513 -21.202 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.281 -19.847 -8.651 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.759 -20.361 -7.864 1.00 0.00 H new ATOM 1069 N TYR A 70 -1.295 -18.309 -5.929 1.00 0.00 N ATOM 1070 CA TYR A 70 -1.400 -16.981 -5.251 1.00 0.00 C ATOM 1071 C TYR A 70 -2.836 -16.461 -5.363 1.00 0.00 C ATOM 1072 O TYR A 70 -3.078 -15.328 -5.730 1.00 0.00 O ATOM 1073 CB TYR A 70 -0.432 -15.980 -5.900 1.00 0.00 C ATOM 1074 CG TYR A 70 0.792 -15.791 -5.031 1.00 0.00 C ATOM 1075 CD1 TYR A 70 1.344 -16.877 -4.346 1.00 0.00 C ATOM 1076 CD2 TYR A 70 1.365 -14.512 -4.905 1.00 0.00 C ATOM 1077 CE1 TYR A 70 2.460 -16.696 -3.531 1.00 0.00 C ATOM 1078 CE2 TYR A 70 2.494 -14.324 -4.095 1.00 0.00 C ATOM 1079 CZ TYR A 70 3.042 -15.423 -3.404 1.00 0.00 C ATOM 1080 OH TYR A 70 4.135 -15.249 -2.580 1.00 0.00 O ATOM 0 H TYR A 70 -0.709 -18.992 -5.448 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.137 -17.095 -4.199 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.134 -16.339 -6.885 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.933 -15.023 -6.047 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.905 -17.858 -4.448 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.935 -13.674 -5.433 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.878 -17.536 -2.996 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.940 -13.345 -4.001 1.00 0.00 H new ATOM 0 HH TYR A 70 4.249 -14.295 -2.384 1.00 0.00 H new ATOM 1090 N GLN A 71 -3.797 -17.280 -5.042 1.00 0.00 N ATOM 1091 CA GLN A 71 -5.212 -16.827 -5.129 1.00 0.00 C ATOM 1092 C GLN A 71 -5.405 -15.994 -6.396 1.00 0.00 C ATOM 1093 O GLN A 71 -5.663 -16.520 -7.460 1.00 0.00 O ATOM 1094 CB GLN A 71 -5.558 -15.980 -3.902 1.00 0.00 C ATOM 1095 CG GLN A 71 -5.802 -16.896 -2.702 1.00 0.00 C ATOM 1096 CD GLN A 71 -7.122 -17.647 -2.895 1.00 0.00 C ATOM 1097 OE1 GLN A 71 -8.159 -17.040 -3.078 1.00 0.00 O ATOM 1098 NE2 GLN A 71 -7.127 -18.952 -2.868 1.00 0.00 N ATOM 0 H GLN A 71 -3.665 -18.240 -4.724 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.868 -17.697 -5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.745 -15.287 -3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.445 -15.379 -4.100 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.980 -17.604 -2.598 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.836 -16.310 -1.784 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.257 -19.462 -2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.001 -19.461 -3.000 1.00 0.00 H new ATOM 1107 N SER A 72 -5.278 -14.698 -6.295 1.00 0.00 N ATOM 1108 CA SER A 72 -5.450 -13.848 -7.494 1.00 0.00 C ATOM 1109 C SER A 72 -5.003 -12.425 -7.169 1.00 0.00 C ATOM 1110 O SER A 72 -4.740 -12.088 -6.031 1.00 0.00 O ATOM 1111 CB SER A 72 -6.918 -13.849 -7.919 1.00 0.00 C ATOM 1112 OG SER A 72 -7.685 -13.114 -6.975 1.00 0.00 O ATOM 0 H SER A 72 -5.063 -14.198 -5.433 1.00 0.00 H new ATOM 0 HA SER A 72 -4.845 -14.240 -8.312 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.021 -13.407 -8.910 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.288 -14.872 -7.986 1.00 0.00 H new ATOM 0 HG SER A 72 -8.626 -13.113 -7.248 1.00 0.00 H new ATOM 1118 N TRP A 73 -4.935 -11.592 -8.162 1.00 0.00 N ATOM 1119 CA TRP A 73 -4.525 -10.182 -7.927 1.00 0.00 C ATOM 1120 C TRP A 73 -5.527 -9.250 -8.607 1.00 0.00 C ATOM 1121 O TRP A 73 -6.115 -9.587 -9.615 1.00 0.00 O ATOM 1122 CB TRP A 73 -3.124 -9.952 -8.488 1.00 0.00 C ATOM 1123 CG TRP A 73 -2.811 -10.986 -9.518 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -3.279 -10.990 -10.788 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -1.954 -12.157 -9.392 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -2.757 -12.085 -11.452 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -1.932 -12.833 -10.635 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -1.197 -12.690 -8.331 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -1.181 -13.995 -10.821 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -0.436 -13.857 -8.517 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -0.425 -14.505 -9.761 1.00 0.00 C ATOM 0 H TRP A 73 -5.146 -11.826 -9.132 1.00 0.00 H new ATOM 0 HA TRP A 73 -4.510 -9.975 -6.857 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -3.058 -8.957 -8.928 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -2.390 -9.994 -7.684 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -3.950 -10.258 -11.213 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -2.957 -12.312 -12.426 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -1.201 -12.199 -7.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -1.184 -14.497 -11.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 0.143 -14.257 -7.698 1.00 0.00 H new ATOM 0 HH2 TRP A 73 0.167 -15.397 -9.900 1.00 0.00 H new ATOM 1142 N ASP A 74 -5.738 -8.084 -8.058 1.00 0.00 N ATOM 1143 CA ASP A 74 -6.714 -7.135 -8.664 1.00 0.00 C ATOM 1144 C ASP A 74 -6.192 -5.708 -8.512 1.00 0.00 C ATOM 1145 O ASP A 74 -5.241 -5.463 -7.801 1.00 0.00 O ATOM 1146 CB ASP A 74 -8.058 -7.259 -7.944 1.00 0.00 C ATOM 1147 CG ASP A 74 -8.690 -8.617 -8.254 1.00 0.00 C ATOM 1148 OD1 ASP A 74 -8.348 -9.189 -9.276 1.00 0.00 O ATOM 1149 OD2 ASP A 74 -9.507 -9.062 -7.465 1.00 0.00 O ATOM 0 H ASP A 74 -5.275 -7.748 -7.214 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.842 -7.369 -9.721 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.916 -7.151 -6.869 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.725 -6.457 -8.260 1.00 0.00 H new ATOM 1154 N VAL A 75 -6.801 -4.768 -9.181 1.00 0.00 N ATOM 1155 CA VAL A 75 -6.335 -3.354 -9.085 1.00 0.00 C ATOM 1156 C VAL A 75 -7.459 -2.474 -8.548 1.00 0.00 C ATOM 1157 O VAL A 75 -8.623 -2.797 -8.674 1.00 0.00 O ATOM 1158 CB VAL A 75 -5.934 -2.859 -10.468 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.017 -1.640 -10.342 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -5.204 -3.980 -11.207 1.00 0.00 C ATOM 0 H VAL A 75 -7.604 -4.918 -9.792 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.480 -3.304 -8.410 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.826 -2.571 -11.024 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.735 -1.293 -11.336 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.541 -0.843 -9.814 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.121 -1.915 -9.786 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.913 -3.633 -12.199 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.313 -4.265 -10.647 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.864 -4.842 -11.303 1.00 0.00 H new ATOM 1170 N ILE A 76 -7.121 -1.363 -7.945 1.00 0.00 N ATOM 1171 CA ILE A 76 -8.177 -0.465 -7.402 1.00 0.00 C ATOM 1172 C ILE A 76 -7.995 0.934 -7.993 1.00 0.00 C ATOM 1173 O ILE A 76 -7.180 1.711 -7.538 1.00 0.00 O ATOM 1174 CB ILE A 76 -8.027 -0.383 -5.881 1.00 0.00 C ATOM 1175 CG1 ILE A 76 -7.970 -1.793 -5.293 1.00 0.00 C ATOM 1176 CG2 ILE A 76 -9.228 0.362 -5.299 1.00 0.00 C ATOM 1177 CD1 ILE A 76 -7.584 -1.710 -3.815 1.00 0.00 C ATOM 0 H ILE A 76 -6.163 -1.042 -7.807 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.162 -0.853 -7.660 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.108 0.148 -5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.937 -2.284 -5.401 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.244 -2.397 -5.837 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.127 0.424 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.270 1.368 -5.718 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.144 -0.174 -5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.543 -2.714 -3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.607 -1.236 -3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.327 -1.121 -3.277 1.00 0.00 H new ATOM 1189 N SER A 77 -8.758 1.256 -9.006 1.00 0.00 N ATOM 1190 CA SER A 77 -8.649 2.601 -9.639 1.00 0.00 C ATOM 1191 C SER A 77 -9.978 3.348 -9.494 1.00 0.00 C ATOM 1192 O SER A 77 -11.037 2.793 -9.706 1.00 0.00 O ATOM 1193 CB SER A 77 -8.317 2.435 -11.123 1.00 0.00 C ATOM 1194 OG SER A 77 -8.737 1.148 -11.557 1.00 0.00 O ATOM 0 H SER A 77 -9.456 0.640 -9.423 1.00 0.00 H new ATOM 0 HA SER A 77 -7.860 3.171 -9.148 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.814 3.209 -11.708 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.245 2.554 -11.283 1.00 0.00 H new ATOM 0 HG SER A 77 -8.527 1.039 -12.508 1.00 0.00 H new ATOM 1200 N LEU A 78 -9.930 4.606 -9.147 1.00 0.00 N ATOM 1201 CA LEU A 78 -11.186 5.392 -8.999 1.00 0.00 C ATOM 1202 C LEU A 78 -11.345 6.335 -10.194 1.00 0.00 C ATOM 1203 O LEU A 78 -10.464 7.107 -10.512 1.00 0.00 O ATOM 1204 CB LEU A 78 -11.127 6.207 -7.705 1.00 0.00 C ATOM 1205 CG LEU A 78 -11.503 5.318 -6.519 1.00 0.00 C ATOM 1206 CD1 LEU A 78 -10.539 4.135 -6.436 1.00 0.00 C ATOM 1207 CD2 LEU A 78 -11.418 6.133 -5.226 1.00 0.00 C ATOM 0 H LEU A 78 -9.071 5.124 -8.959 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.038 4.713 -8.961 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.125 6.613 -7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.809 7.055 -7.767 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.519 4.948 -6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.810 3.504 -5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.597 3.553 -7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.522 4.503 -6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.686 5.501 -4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.401 6.503 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.107 6.976 -5.281 1.00 0.00 H new ATOM 1219 N ARG A 79 -12.468 6.276 -10.856 1.00 0.00 N ATOM 1220 CA ARG A 79 -12.695 7.167 -12.034 1.00 0.00 C ATOM 1221 C ARG A 79 -13.593 8.345 -11.631 1.00 0.00 C ATOM 1222 O ARG A 79 -14.480 8.214 -10.810 1.00 0.00 O ATOM 1223 CB ARG A 79 -13.368 6.368 -13.159 1.00 0.00 C ATOM 1224 CG ARG A 79 -12.312 5.632 -14.000 1.00 0.00 C ATOM 1225 CD ARG A 79 -11.768 4.428 -13.226 1.00 0.00 C ATOM 1226 NE ARG A 79 -10.283 4.524 -13.138 1.00 0.00 N ATOM 1227 CZ ARG A 79 -9.563 4.534 -14.228 1.00 0.00 C ATOM 1228 NH1 ARG A 79 -10.143 4.463 -15.394 1.00 0.00 N ATOM 1229 NH2 ARG A 79 -8.262 4.615 -14.151 1.00 0.00 N ATOM 0 H ARG A 79 -13.241 5.649 -10.633 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.737 7.551 -12.384 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.069 5.650 -12.734 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.945 7.039 -13.795 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.752 5.301 -14.941 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.497 6.311 -14.250 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.201 4.399 -12.226 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.054 3.502 -13.725 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.829 4.582 -12.226 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.159 4.400 -15.455 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.580 4.471 -16.245 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.808 4.670 -13.240 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.700 4.623 -15.002 1.00 0.00 H new ATOM 1243 N ALA A 80 -13.366 9.493 -12.214 1.00 0.00 N ATOM 1244 CA ALA A 80 -14.198 10.693 -11.888 1.00 0.00 C ATOM 1245 C ALA A 80 -15.522 10.631 -12.658 1.00 0.00 C ATOM 1246 O ALA A 80 -16.481 11.299 -12.327 1.00 0.00 O ATOM 1247 CB ALA A 80 -13.427 11.955 -12.279 1.00 0.00 C ATOM 0 H ALA A 80 -12.635 9.653 -12.907 1.00 0.00 H new ATOM 0 HA ALA A 80 -14.413 10.712 -10.820 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -14.026 12.835 -12.045 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.490 11.996 -11.723 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.214 11.935 -13.348 1.00 0.00 H new ATOM 1253 N ASP A 81 -15.573 9.833 -13.686 1.00 0.00 N ATOM 1254 CA ASP A 81 -16.824 9.722 -14.489 1.00 0.00 C ATOM 1255 C ASP A 81 -17.724 8.642 -13.884 1.00 0.00 C ATOM 1256 O ASP A 81 -18.617 8.137 -14.534 1.00 0.00 O ATOM 1257 CB ASP A 81 -16.478 9.352 -15.936 1.00 0.00 C ATOM 1258 CG ASP A 81 -15.714 10.501 -16.598 1.00 0.00 C ATOM 1259 OD1 ASP A 81 -15.638 11.561 -15.997 1.00 0.00 O ATOM 1260 OD2 ASP A 81 -15.220 10.303 -17.696 1.00 0.00 O ATOM 0 H ASP A 81 -14.800 9.250 -14.007 1.00 0.00 H new ATOM 0 HA ASP A 81 -17.347 10.678 -14.478 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -15.875 8.444 -15.954 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -17.390 9.140 -16.495 1.00 0.00 H new ATOM 1265 N ASN A 82 -17.498 8.288 -12.644 1.00 0.00 N ATOM 1266 CA ASN A 82 -18.345 7.242 -11.993 1.00 0.00 C ATOM 1267 C ASN A 82 -18.878 7.755 -10.635 1.00 0.00 C ATOM 1268 O ASN A 82 -18.144 8.352 -9.870 1.00 0.00 O ATOM 1269 CB ASN A 82 -17.498 5.987 -11.772 1.00 0.00 C ATOM 1270 CG ASN A 82 -17.035 5.443 -13.127 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -16.167 6.013 -13.759 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -17.584 4.359 -13.605 1.00 0.00 N ATOM 0 H ASN A 82 -16.763 8.678 -12.054 1.00 0.00 H new ATOM 0 HA ASN A 82 -19.194 7.011 -12.636 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.636 6.222 -11.148 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -18.078 5.231 -11.243 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.284 3.991 -14.508 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -18.312 3.880 -13.075 1.00 0.00 H new ATOM 1279 N PRO A 83 -20.137 7.517 -10.318 1.00 0.00 N ATOM 1280 CA PRO A 83 -20.740 7.958 -9.016 1.00 0.00 C ATOM 1281 C PRO A 83 -20.271 7.082 -7.844 1.00 0.00 C ATOM 1282 O PRO A 83 -20.581 7.324 -6.692 1.00 0.00 O ATOM 1283 CB PRO A 83 -22.243 7.787 -9.241 1.00 0.00 C ATOM 1284 CG PRO A 83 -22.368 6.720 -10.277 1.00 0.00 C ATOM 1285 CD PRO A 83 -21.121 6.811 -11.156 1.00 0.00 C ATOM 0 HA PRO A 83 -20.452 8.976 -8.753 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -22.749 7.501 -8.319 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -22.699 8.718 -9.578 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -22.443 5.737 -9.812 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -23.271 6.861 -10.871 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -20.763 5.822 -11.443 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -21.323 7.356 -12.078 1.00 0.00 H new ATOM 1293 N GLN A 84 -19.531 6.060 -8.152 1.00 0.00 N ATOM 1294 CA GLN A 84 -19.036 5.145 -7.084 1.00 0.00 C ATOM 1295 C GLN A 84 -17.788 5.740 -6.437 1.00 0.00 C ATOM 1296 O GLN A 84 -17.135 5.111 -5.638 1.00 0.00 O ATOM 1297 CB GLN A 84 -18.696 3.776 -7.676 1.00 0.00 C ATOM 1298 CG GLN A 84 -19.962 3.132 -8.242 1.00 0.00 C ATOM 1299 CD GLN A 84 -19.639 1.720 -8.730 1.00 0.00 C ATOM 1300 OE1 GLN A 84 -18.826 1.540 -9.615 1.00 0.00 O ATOM 1301 NE2 GLN A 84 -20.240 0.699 -8.182 1.00 0.00 N ATOM 0 H GLN A 84 -19.244 5.815 -9.100 1.00 0.00 H new ATOM 0 HA GLN A 84 -19.818 5.025 -6.334 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.949 3.884 -8.462 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -18.262 3.135 -6.909 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -20.738 3.096 -7.477 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -20.352 3.732 -9.064 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -20.923 0.848 -7.439 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -20.027 -0.247 -8.497 1.00 0.00 H new ATOM 1310 N LYS A 85 -17.452 6.948 -6.766 1.00 0.00 N ATOM 1311 CA LYS A 85 -16.243 7.561 -6.157 1.00 0.00 C ATOM 1312 C LYS A 85 -16.599 8.115 -4.773 1.00 0.00 C ATOM 1313 O LYS A 85 -15.765 8.204 -3.893 1.00 0.00 O ATOM 1314 CB LYS A 85 -15.747 8.684 -7.067 1.00 0.00 C ATOM 1315 CG LYS A 85 -14.253 8.907 -6.845 1.00 0.00 C ATOM 1316 CD LYS A 85 -13.749 9.911 -7.877 1.00 0.00 C ATOM 1317 CE LYS A 85 -12.224 9.859 -7.947 1.00 0.00 C ATOM 1318 NZ LYS A 85 -11.675 9.512 -6.604 1.00 0.00 N ATOM 0 H LYS A 85 -17.957 7.538 -7.427 1.00 0.00 H new ATOM 0 HA LYS A 85 -15.456 6.815 -6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.935 8.429 -8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.296 9.602 -6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -14.072 9.279 -5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -13.712 7.965 -6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.175 9.686 -8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.076 10.916 -7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.908 9.119 -8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.831 10.822 -8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.660 9.738 -6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.172 10.060 -5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.809 8.496 -6.426 1.00 0.00 H new ATOM 1332 N GLU A 86 -17.836 8.485 -4.577 1.00 0.00 N ATOM 1333 CA GLU A 86 -18.257 9.030 -3.252 1.00 0.00 C ATOM 1334 C GLU A 86 -18.498 7.871 -2.279 1.00 0.00 C ATOM 1335 O GLU A 86 -17.974 7.847 -1.175 1.00 0.00 O ATOM 1336 CB GLU A 86 -19.552 9.825 -3.423 1.00 0.00 C ATOM 1337 CG GLU A 86 -19.452 10.694 -4.676 1.00 0.00 C ATOM 1338 CD GLU A 86 -20.693 11.581 -4.783 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -21.149 12.053 -3.754 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -21.170 11.766 -5.890 1.00 0.00 O ATOM 0 H GLU A 86 -18.575 8.434 -5.278 1.00 0.00 H new ATOM 0 HA GLU A 86 -17.476 9.680 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -20.401 9.146 -3.505 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -19.727 10.449 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.554 11.311 -4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.364 10.065 -5.562 1.00 0.00 H new ATOM 1347 N ALA A 87 -19.276 6.898 -2.676 1.00 0.00 N ATOM 1348 CA ALA A 87 -19.541 5.740 -1.778 1.00 0.00 C ATOM 1349 C ALA A 87 -18.251 4.943 -1.596 1.00 0.00 C ATOM 1350 O ALA A 87 -18.063 4.272 -0.600 1.00 0.00 O ATOM 1351 CB ALA A 87 -20.617 4.843 -2.387 1.00 0.00 C ATOM 0 H ALA A 87 -19.739 6.857 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 87 -19.890 6.103 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -20.805 3.998 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -21.536 5.414 -2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -20.279 4.475 -3.356 1.00 0.00 H new ATOM 1357 N LEU A 88 -17.363 4.996 -2.554 1.00 0.00 N ATOM 1358 CA LEU A 88 -16.100 4.222 -2.431 1.00 0.00 C ATOM 1359 C LEU A 88 -15.316 4.734 -1.229 1.00 0.00 C ATOM 1360 O LEU A 88 -14.502 4.032 -0.678 1.00 0.00 O ATOM 1361 CB LEU A 88 -15.229 4.349 -3.689 1.00 0.00 C ATOM 1362 CG LEU A 88 -15.620 3.251 -4.691 1.00 0.00 C ATOM 1363 CD1 LEU A 88 -15.125 3.606 -6.100 1.00 0.00 C ATOM 1364 CD2 LEU A 88 -14.983 1.925 -4.264 1.00 0.00 C ATOM 0 H LEU A 88 -17.460 5.540 -3.411 1.00 0.00 H new ATOM 0 HA LEU A 88 -16.360 3.171 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -15.362 5.333 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.175 4.259 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.706 3.163 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.411 2.817 -6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.572 4.548 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.040 3.705 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.259 1.144 -4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.898 2.032 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.338 1.654 -3.270 1.00 0.00 H new ATOM 1376 N ARG A 89 -15.543 5.950 -0.809 1.00 0.00 N ATOM 1377 CA ARG A 89 -14.776 6.446 0.367 1.00 0.00 C ATOM 1378 C ARG A 89 -15.091 5.566 1.582 1.00 0.00 C ATOM 1379 O ARG A 89 -14.234 4.964 2.145 1.00 0.00 O ATOM 1380 CB ARG A 89 -15.229 7.879 0.668 1.00 0.00 C ATOM 1381 CG ARG A 89 -14.783 8.808 -0.457 1.00 0.00 C ATOM 1382 CD ARG A 89 -13.349 9.265 -0.199 1.00 0.00 C ATOM 1383 NE ARG A 89 -13.317 10.115 1.024 1.00 0.00 N ATOM 1384 CZ ARG A 89 -13.634 11.378 0.953 1.00 0.00 C ATOM 1385 NH1 ARG A 89 -13.985 11.899 -0.191 1.00 0.00 N ATOM 1386 NH2 ARG A 89 -13.604 12.118 2.026 1.00 0.00 N ATOM 0 H ARG A 89 -16.209 6.606 -1.218 1.00 0.00 H new ATOM 0 HA ARG A 89 -13.707 6.417 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.313 7.913 0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -14.807 8.212 1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.845 8.293 -1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -15.446 9.671 -0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.697 8.401 -0.073 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.974 9.825 -1.055 1.00 0.00 H new ATOM 0 HE ARG A 89 -13.046 9.708 1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.011 11.318 -1.029 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.233 12.887 -0.247 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.333 11.709 2.920 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -13.852 13.106 1.971 1.00 0.00 H new ATOM 1400 N GLU A 90 -16.315 5.496 1.982 1.00 0.00 N ATOM 1401 CA GLU A 90 -16.654 4.642 3.180 1.00 0.00 C ATOM 1402 C GLU A 90 -16.279 3.183 2.878 1.00 0.00 C ATOM 1403 O GLU A 90 -16.002 2.375 3.742 1.00 0.00 O ATOM 1404 CB GLU A 90 -18.142 4.743 3.511 1.00 0.00 C ATOM 1405 CG GLU A 90 -18.413 3.971 4.807 1.00 0.00 C ATOM 1406 CD GLU A 90 -19.909 4.001 5.122 1.00 0.00 C ATOM 1407 OE1 GLU A 90 -20.641 4.619 4.367 1.00 0.00 O ATOM 1408 OE2 GLU A 90 -20.296 3.406 6.114 1.00 0.00 O ATOM 0 H GLU A 90 -17.102 5.980 1.550 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.090 4.997 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -18.433 5.787 3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -18.739 4.333 2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -18.074 2.940 4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -17.850 4.412 5.629 1.00 0.00 H new ATOM 1415 N LYS A 91 -16.294 2.893 1.628 1.00 0.00 N ATOM 1416 CA LYS A 91 -15.965 1.517 1.150 1.00 0.00 C ATOM 1417 C LYS A 91 -14.495 1.148 1.436 1.00 0.00 C ATOM 1418 O LYS A 91 -14.206 0.054 1.879 1.00 0.00 O ATOM 1419 CB LYS A 91 -16.212 1.416 -0.346 1.00 0.00 C ATOM 1420 CG LYS A 91 -16.333 -0.055 -0.757 1.00 0.00 C ATOM 1421 CD LYS A 91 -17.769 -0.532 -0.525 1.00 0.00 C ATOM 1422 CE LYS A 91 -18.542 -0.490 -1.846 1.00 0.00 C ATOM 1423 NZ LYS A 91 -20.005 -0.438 -1.562 1.00 0.00 N ATOM 0 H LYS A 91 -16.524 3.557 0.888 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.608 0.822 1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.123 1.952 -0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.395 1.889 -0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.064 -0.174 -1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.638 -0.664 -0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.766 -1.546 -0.125 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -18.258 0.101 0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.242 0.381 -2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.308 -1.370 -2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.532 -0.409 -2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -20.284 -1.282 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -20.221 0.414 -1.006 1.00 0.00 H new ATOM 1437 N PHE A 92 -13.560 2.042 1.221 1.00 0.00 N ATOM 1438 CA PHE A 92 -12.125 1.719 1.509 1.00 0.00 C ATOM 1439 C PHE A 92 -11.651 2.413 2.776 1.00 0.00 C ATOM 1440 O PHE A 92 -10.571 2.164 3.271 1.00 0.00 O ATOM 1441 CB PHE A 92 -11.258 2.217 0.362 1.00 0.00 C ATOM 1442 CG PHE A 92 -10.990 1.087 -0.580 1.00 0.00 C ATOM 1443 CD1 PHE A 92 -10.301 -0.046 -0.133 1.00 0.00 C ATOM 1444 CD2 PHE A 92 -11.433 1.170 -1.898 1.00 0.00 C ATOM 1445 CE1 PHE A 92 -10.056 -1.104 -1.010 1.00 0.00 C ATOM 1446 CE2 PHE A 92 -11.192 0.125 -2.782 1.00 0.00 C ATOM 1447 CZ PHE A 92 -10.502 -1.023 -2.342 1.00 0.00 C ATOM 0 H PHE A 92 -13.727 2.981 0.859 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.043 0.639 1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -11.759 3.031 -0.161 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -10.319 2.616 0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.959 -0.102 0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -11.965 2.048 -2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.526 -1.981 -0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -11.533 0.192 -3.805 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.316 -1.838 -3.026 1.00 0.00 H new ATOM 1457 N LEU A 93 -12.422 3.319 3.260 1.00 0.00 N ATOM 1458 CA LEU A 93 -12.007 4.087 4.459 1.00 0.00 C ATOM 1459 C LEU A 93 -12.474 3.393 5.728 1.00 0.00 C ATOM 1460 O LEU A 93 -12.341 3.935 6.805 1.00 0.00 O ATOM 1461 CB LEU A 93 -12.591 5.506 4.413 1.00 0.00 C ATOM 1462 CG LEU A 93 -11.986 6.300 3.246 1.00 0.00 C ATOM 1463 CD1 LEU A 93 -12.577 7.707 3.228 1.00 0.00 C ATOM 1464 CD2 LEU A 93 -10.474 6.397 3.423 1.00 0.00 C ATOM 0 H LEU A 93 -13.334 3.570 2.879 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.918 4.143 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -13.674 5.456 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.389 6.019 5.353 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.214 5.792 2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.148 8.271 2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.658 7.646 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.347 8.210 4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.046 6.961 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.249 6.904 4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.045 5.395 3.440 1.00 0.00 H new ATOM 1476 N ASN A 94 -13.000 2.199 5.644 1.00 0.00 N ATOM 1477 CA ASN A 94 -13.435 1.511 6.884 1.00 0.00 C ATOM 1478 C ASN A 94 -12.401 0.441 7.216 1.00 0.00 C ATOM 1479 O ASN A 94 -11.465 0.221 6.471 1.00 0.00 O ATOM 1480 CB ASN A 94 -14.791 0.855 6.642 1.00 0.00 C ATOM 1481 CG ASN A 94 -14.616 -0.308 5.665 1.00 0.00 C ATOM 1482 OD1 ASN A 94 -13.580 -0.441 5.042 1.00 0.00 O ATOM 1483 ND2 ASN A 94 -15.589 -1.160 5.499 1.00 0.00 N ATOM 0 H ASN A 94 -13.144 1.679 4.778 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.523 2.219 7.708 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -15.209 0.496 7.583 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -15.494 1.583 6.238 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -15.481 -1.937 4.847 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -16.458 -1.049 6.021 1.00 0.00 H new ATOM 1490 N GLU A 95 -12.547 -0.220 8.320 1.00 0.00 N ATOM 1491 CA GLU A 95 -11.556 -1.268 8.683 1.00 0.00 C ATOM 1492 C GLU A 95 -11.765 -2.526 7.827 1.00 0.00 C ATOM 1493 O GLU A 95 -12.847 -3.077 7.766 1.00 0.00 O ATOM 1494 CB GLU A 95 -11.738 -1.641 10.158 1.00 0.00 C ATOM 1495 CG GLU A 95 -10.618 -1.017 10.990 1.00 0.00 C ATOM 1496 CD GLU A 95 -10.729 0.507 10.935 1.00 0.00 C ATOM 1497 OE1 GLU A 95 -11.823 0.995 10.704 1.00 0.00 O ATOM 1498 OE2 GLU A 95 -9.716 1.160 11.123 1.00 0.00 O ATOM 0 H GLU A 95 -13.306 -0.084 8.988 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.553 -0.878 8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.707 -1.291 10.514 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.728 -2.725 10.273 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.684 -1.360 12.023 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.647 -1.335 10.609 1.00 0.00 H new ATOM 1505 N HIS A 96 -10.729 -3.005 7.196 1.00 0.00 N ATOM 1506 CA HIS A 96 -10.860 -4.243 6.384 1.00 0.00 C ATOM 1507 C HIS A 96 -9.643 -5.125 6.704 1.00 0.00 C ATOM 1508 O HIS A 96 -8.509 -4.716 6.535 1.00 0.00 O ATOM 1509 CB HIS A 96 -10.921 -3.860 4.895 1.00 0.00 C ATOM 1510 CG HIS A 96 -9.879 -4.605 4.123 1.00 0.00 C ATOM 1511 ND1 HIS A 96 -10.184 -5.730 3.370 1.00 0.00 N ATOM 1512 CD2 HIS A 96 -8.525 -4.421 3.998 1.00 0.00 C ATOM 1513 CE1 HIS A 96 -9.037 -6.183 2.838 1.00 0.00 C ATOM 1514 NE2 HIS A 96 -8.007 -5.423 3.196 1.00 0.00 N ATOM 0 H HIS A 96 -9.797 -2.591 7.209 1.00 0.00 H new ATOM 0 HA HIS A 96 -11.772 -4.794 6.615 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.910 -4.085 4.495 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.768 -2.787 4.782 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -11.110 -6.138 3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -7.956 -3.623 4.452 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -8.961 -7.052 2.202 1.00 0.00 H new ATOM 1522 N THR A 97 -9.865 -6.312 7.220 1.00 0.00 N ATOM 1523 CA THR A 97 -8.711 -7.181 7.611 1.00 0.00 C ATOM 1524 C THR A 97 -8.868 -8.632 7.132 1.00 0.00 C ATOM 1525 O THR A 97 -9.953 -9.156 6.978 1.00 0.00 O ATOM 1526 CB THR A 97 -8.600 -7.189 9.133 1.00 0.00 C ATOM 1527 OG1 THR A 97 -8.353 -5.870 9.596 1.00 0.00 O ATOM 1528 CG2 THR A 97 -7.456 -8.113 9.560 1.00 0.00 C ATOM 0 H THR A 97 -10.788 -6.713 7.386 1.00 0.00 H new ATOM 0 HA THR A 97 -7.819 -6.770 7.138 1.00 0.00 H new ATOM 0 HB THR A 97 -9.533 -7.553 9.564 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.283 -5.874 10.574 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.378 -8.117 10.647 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.654 -9.125 9.206 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.520 -7.755 9.131 1.00 0.00 H new ATOM 1536 N HIS A 98 -7.749 -9.280 6.938 1.00 0.00 N ATOM 1537 CA HIS A 98 -7.743 -10.710 6.510 1.00 0.00 C ATOM 1538 C HIS A 98 -6.739 -11.508 7.345 1.00 0.00 C ATOM 1539 O HIS A 98 -5.864 -10.956 7.983 1.00 0.00 O ATOM 1540 CB HIS A 98 -7.334 -10.797 5.054 1.00 0.00 C ATOM 1541 CG HIS A 98 -6.592 -9.555 4.689 1.00 0.00 C ATOM 1542 ND1 HIS A 98 -5.356 -9.226 5.235 1.00 0.00 N ATOM 1543 CD2 HIS A 98 -6.919 -8.539 3.846 1.00 0.00 C ATOM 1544 CE1 HIS A 98 -4.991 -8.042 4.710 1.00 0.00 C ATOM 1545 NE2 HIS A 98 -5.915 -7.591 3.859 1.00 0.00 N ATOM 0 H HIS A 98 -6.823 -8.871 7.060 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.743 -11.121 6.650 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.707 -11.673 4.890 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -8.214 -10.911 4.421 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -4.825 -9.779 5.908 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -7.823 -8.482 3.258 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -4.072 -7.525 4.946 1.00 0.00 H new ATOM 1553 N GLY A 99 -6.862 -12.809 7.335 1.00 0.00 N ATOM 1554 CA GLY A 99 -5.924 -13.668 8.113 1.00 0.00 C ATOM 1555 C GLY A 99 -4.698 -14.002 7.260 1.00 0.00 C ATOM 1556 O GLY A 99 -4.014 -14.977 7.500 1.00 0.00 O ATOM 0 H GLY A 99 -7.579 -13.317 6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.616 -13.154 9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.426 -14.586 8.420 1.00 0.00 H new ATOM 1560 N GLU A 100 -4.393 -13.197 6.280 1.00 0.00 N ATOM 1561 CA GLU A 100 -3.195 -13.456 5.435 1.00 0.00 C ATOM 1562 C GLU A 100 -2.611 -12.110 5.026 1.00 0.00 C ATOM 1563 O GLU A 100 -3.338 -11.215 4.646 1.00 0.00 O ATOM 1564 CB GLU A 100 -3.599 -14.228 4.180 1.00 0.00 C ATOM 1565 CG GLU A 100 -3.247 -15.702 4.357 1.00 0.00 C ATOM 1566 CD GLU A 100 -1.723 -15.852 4.397 1.00 0.00 C ATOM 1567 OE1 GLU A 100 -1.046 -14.920 3.995 1.00 0.00 O ATOM 1568 OE2 GLU A 100 -1.262 -16.896 4.828 1.00 0.00 O ATOM 0 H GLU A 100 -4.927 -12.365 6.027 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.465 -14.044 5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.668 -14.117 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.085 -13.822 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.687 -16.086 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.661 -16.289 3.537 1.00 0.00 H new ATOM 1575 N ASP A 101 -1.326 -11.920 5.124 1.00 0.00 N ATOM 1576 CA ASP A 101 -0.753 -10.601 4.762 1.00 0.00 C ATOM 1577 C ASP A 101 -0.751 -10.395 3.251 1.00 0.00 C ATOM 1578 O ASP A 101 -0.218 -11.193 2.507 1.00 0.00 O ATOM 1579 CB ASP A 101 0.687 -10.559 5.251 1.00 0.00 C ATOM 1580 CG ASP A 101 1.567 -11.395 4.317 1.00 0.00 C ATOM 1581 OD1 ASP A 101 1.119 -12.447 3.895 1.00 0.00 O ATOM 1582 OD2 ASP A 101 2.674 -10.964 4.041 1.00 0.00 O ATOM 0 H ASP A 101 -0.653 -12.619 5.438 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.358 -9.818 5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.043 -9.529 5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.748 -10.945 6.268 1.00 0.00 H new ATOM 1587 N GLU A 102 -1.376 -9.350 2.795 1.00 0.00 N ATOM 1588 CA GLU A 102 -1.446 -9.121 1.331 1.00 0.00 C ATOM 1589 C GLU A 102 -0.478 -8.007 0.978 1.00 0.00 C ATOM 1590 O GLU A 102 -0.256 -7.087 1.741 1.00 0.00 O ATOM 1591 CB GLU A 102 -2.869 -8.702 0.913 1.00 0.00 C ATOM 1592 CG GLU A 102 -3.722 -8.338 2.131 1.00 0.00 C ATOM 1593 CD GLU A 102 -3.344 -6.937 2.613 1.00 0.00 C ATOM 1594 OE1 GLU A 102 -2.415 -6.829 3.399 1.00 0.00 O ATOM 1595 OE2 GLU A 102 -3.991 -5.994 2.187 1.00 0.00 O ATOM 0 H GLU A 102 -1.840 -8.647 3.371 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.188 -10.042 0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.815 -7.849 0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.343 -9.515 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.780 -8.373 1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.566 -9.064 2.929 1.00 0.00 H new ATOM 1602 N VAL A 103 0.123 -8.112 -0.167 1.00 0.00 N ATOM 1603 CA VAL A 103 1.118 -7.101 -0.590 1.00 0.00 C ATOM 1604 C VAL A 103 0.482 -6.143 -1.580 1.00 0.00 C ATOM 1605 O VAL A 103 -0.335 -6.536 -2.390 1.00 0.00 O ATOM 1606 CB VAL A 103 2.293 -7.820 -1.255 1.00 0.00 C ATOM 1607 CG1 VAL A 103 3.266 -6.795 -1.818 1.00 0.00 C ATOM 1608 CG2 VAL A 103 3.009 -8.694 -0.223 1.00 0.00 C ATOM 0 H VAL A 103 -0.035 -8.865 -0.836 1.00 0.00 H new ATOM 0 HA VAL A 103 1.467 -6.538 0.275 1.00 0.00 H new ATOM 0 HB VAL A 103 1.921 -8.448 -2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.103 -7.309 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.756 -6.176 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.638 -6.164 -1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.846 -9.206 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.380 -8.069 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.312 -9.431 0.176 1.00 0.00 H new ATOM 1618 N ARG A 104 0.851 -4.886 -1.530 1.00 0.00 N ATOM 1619 CA ARG A 104 0.258 -3.925 -2.485 1.00 0.00 C ATOM 1620 C ARG A 104 1.366 -3.169 -3.215 1.00 0.00 C ATOM 1621 O ARG A 104 2.232 -2.572 -2.608 1.00 0.00 O ATOM 1622 CB ARG A 104 -0.638 -2.928 -1.753 1.00 0.00 C ATOM 1623 CG ARG A 104 -1.549 -3.677 -0.776 1.00 0.00 C ATOM 1624 CD ARG A 104 -2.390 -2.671 0.013 1.00 0.00 C ATOM 1625 NE ARG A 104 -2.993 -3.348 1.196 1.00 0.00 N ATOM 1626 CZ ARG A 104 -2.241 -3.688 2.207 1.00 0.00 C ATOM 1627 NH1 ARG A 104 -0.960 -3.437 2.182 1.00 0.00 N ATOM 1628 NH2 ARG A 104 -2.769 -4.278 3.244 1.00 0.00 N ATOM 0 H ARG A 104 1.529 -4.496 -0.875 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.343 -4.480 -3.205 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.028 -2.203 -1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -1.239 -2.369 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -2.199 -4.362 -1.321 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -0.950 -4.280 -0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -1.769 -1.836 0.336 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.174 -2.259 -0.622 1.00 0.00 H new ATOM 0 HE ARG A 104 -3.993 -3.546 1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -0.547 -2.975 1.372 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.373 -3.703 2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -3.770 -4.474 3.265 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -2.181 -4.544 4.034 1.00 0.00 H new ATOM 1642 N PHE A 105 1.328 -3.187 -4.516 1.00 0.00 N ATOM 1643 CA PHE A 105 2.355 -2.472 -5.317 1.00 0.00 C ATOM 1644 C PHE A 105 1.658 -1.390 -6.130 1.00 0.00 C ATOM 1645 O PHE A 105 0.759 -1.676 -6.891 1.00 0.00 O ATOM 1646 CB PHE A 105 3.013 -3.458 -6.281 1.00 0.00 C ATOM 1647 CG PHE A 105 3.778 -2.715 -7.353 1.00 0.00 C ATOM 1648 CD1 PHE A 105 4.642 -1.661 -7.019 1.00 0.00 C ATOM 1649 CD2 PHE A 105 3.616 -3.085 -8.691 1.00 0.00 C ATOM 1650 CE1 PHE A 105 5.336 -0.980 -8.027 1.00 0.00 C ATOM 1651 CE2 PHE A 105 4.308 -2.405 -9.697 1.00 0.00 C ATOM 1652 CZ PHE A 105 5.168 -1.351 -9.365 1.00 0.00 C ATOM 0 H PHE A 105 0.619 -3.673 -5.065 1.00 0.00 H new ATOM 0 HA PHE A 105 3.108 -2.036 -4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.688 -4.116 -5.734 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.253 -4.090 -6.740 1.00 0.00 H new ATOM 0 HD1 PHE A 105 4.772 -1.375 -5.986 1.00 0.00 H new ATOM 0 HD2 PHE A 105 2.954 -3.899 -8.948 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.001 -0.168 -7.771 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.179 -2.692 -10.730 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.702 -0.824 -10.142 1.00 0.00 H new ATOM 1662 N PHE A 106 2.030 -0.155 -5.980 1.00 0.00 N ATOM 1663 CA PHE A 106 1.329 0.913 -6.750 1.00 0.00 C ATOM 1664 C PHE A 106 1.971 1.056 -8.137 1.00 0.00 C ATOM 1665 O PHE A 106 3.032 0.523 -8.391 1.00 0.00 O ATOM 1666 CB PHE A 106 1.460 2.223 -5.974 1.00 0.00 C ATOM 1667 CG PHE A 106 0.738 2.076 -4.657 1.00 0.00 C ATOM 1668 CD1 PHE A 106 1.336 1.361 -3.610 1.00 0.00 C ATOM 1669 CD2 PHE A 106 -0.534 2.635 -4.485 1.00 0.00 C ATOM 1670 CE1 PHE A 106 0.663 1.210 -2.393 1.00 0.00 C ATOM 1671 CE2 PHE A 106 -1.204 2.486 -3.264 1.00 0.00 C ATOM 1672 CZ PHE A 106 -0.604 1.772 -2.220 1.00 0.00 C ATOM 0 H PHE A 106 2.780 0.164 -5.366 1.00 0.00 H new ATOM 0 HA PHE A 106 0.277 0.660 -6.880 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.511 2.459 -5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.036 3.047 -6.548 1.00 0.00 H new ATOM 0 HD1 PHE A 106 2.316 0.927 -3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -0.998 3.181 -5.293 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.123 0.658 -1.587 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -2.183 2.922 -3.128 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.122 1.656 -1.279 1.00 0.00 H new ATOM 1682 N VAL A 107 1.363 1.798 -9.028 1.00 0.00 N ATOM 1683 CA VAL A 107 1.980 1.990 -10.373 1.00 0.00 C ATOM 1684 C VAL A 107 1.753 3.426 -10.839 1.00 0.00 C ATOM 1685 O VAL A 107 2.601 4.024 -11.471 1.00 0.00 O ATOM 1686 CB VAL A 107 1.405 1.010 -11.389 1.00 0.00 C ATOM 1687 CG1 VAL A 107 1.446 -0.390 -10.793 1.00 0.00 C ATOM 1688 CG2 VAL A 107 -0.032 1.385 -11.741 1.00 0.00 C ATOM 0 H VAL A 107 0.473 2.275 -8.883 1.00 0.00 H new ATOM 0 HA VAL A 107 3.050 1.798 -10.293 1.00 0.00 H new ATOM 0 HB VAL A 107 1.998 1.044 -12.303 1.00 0.00 H new ATOM 0 HG11 VAL A 107 1.037 -1.103 -11.509 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.477 -0.658 -10.563 1.00 0.00 H new ATOM 0 HG13 VAL A 107 0.853 -0.414 -9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.426 0.674 -12.468 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.645 1.361 -10.840 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.052 2.388 -12.167 1.00 0.00 H new ATOM 1698 N GLU A 108 0.621 3.993 -10.527 1.00 0.00 N ATOM 1699 CA GLU A 108 0.352 5.388 -10.946 1.00 0.00 C ATOM 1700 C GLU A 108 -0.430 6.100 -9.843 1.00 0.00 C ATOM 1701 O GLU A 108 -1.433 5.608 -9.365 1.00 0.00 O ATOM 1702 CB GLU A 108 -0.464 5.373 -12.237 1.00 0.00 C ATOM 1703 CG GLU A 108 0.427 4.936 -13.406 1.00 0.00 C ATOM 1704 CD GLU A 108 1.504 5.996 -13.649 1.00 0.00 C ATOM 1705 OE1 GLU A 108 1.341 7.100 -13.158 1.00 0.00 O ATOM 1706 OE2 GLU A 108 2.472 5.685 -14.324 1.00 0.00 O ATOM 0 H GLU A 108 -0.128 3.546 -9.999 1.00 0.00 H new ATOM 0 HA GLU A 108 1.290 5.915 -11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.309 4.692 -12.137 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.875 6.364 -12.431 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.891 3.975 -13.184 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.174 4.800 -14.305 1.00 0.00 H new ATOM 1713 N GLY A 109 0.020 7.250 -9.433 1.00 0.00 N ATOM 1714 CA GLY A 109 -0.699 7.989 -8.365 1.00 0.00 C ATOM 1715 C GLY A 109 -0.076 7.678 -7.005 1.00 0.00 C ATOM 1716 O GLY A 109 0.825 6.873 -6.886 1.00 0.00 O ATOM 0 H GLY A 109 0.856 7.710 -9.793 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -0.653 9.061 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.753 7.710 -8.364 1.00 0.00 H new ATOM 1720 N ALA A 110 -0.550 8.334 -5.986 1.00 0.00 N ATOM 1721 CA ALA A 110 0.008 8.108 -4.621 1.00 0.00 C ATOM 1722 C ALA A 110 -1.126 7.927 -3.610 1.00 0.00 C ATOM 1723 O ALA A 110 -2.188 8.504 -3.731 1.00 0.00 O ATOM 1724 CB ALA A 110 0.868 9.309 -4.215 1.00 0.00 C ATOM 0 H ALA A 110 -1.303 9.020 -6.037 1.00 0.00 H new ATOM 0 HA ALA A 110 0.619 7.206 -4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.276 9.144 -3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 110 1.685 9.428 -4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 110 0.256 10.211 -4.212 1.00 0.00 H new ATOM 1730 N GLY A 111 -0.884 7.134 -2.601 1.00 0.00 N ATOM 1731 CA GLY A 111 -1.913 6.896 -1.549 1.00 0.00 C ATOM 1732 C GLY A 111 -1.224 6.870 -0.181 1.00 0.00 C ATOM 1733 O GLY A 111 -0.155 6.313 -0.032 1.00 0.00 O ATOM 0 H GLY A 111 -0.006 6.635 -2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.669 7.681 -1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.427 5.952 -1.731 1.00 0.00 H new ATOM 1737 N LEU A 112 -1.823 7.457 0.824 1.00 0.00 N ATOM 1738 CA LEU A 112 -1.185 7.440 2.170 1.00 0.00 C ATOM 1739 C LEU A 112 -1.636 6.173 2.889 1.00 0.00 C ATOM 1740 O LEU A 112 -2.815 5.908 3.011 1.00 0.00 O ATOM 1741 CB LEU A 112 -1.631 8.666 2.984 1.00 0.00 C ATOM 1742 CG LEU A 112 -0.450 9.271 3.758 1.00 0.00 C ATOM 1743 CD1 LEU A 112 0.126 10.442 2.962 1.00 0.00 C ATOM 1744 CD2 LEU A 112 -0.940 9.781 5.117 1.00 0.00 C ATOM 0 H LEU A 112 -2.718 7.943 0.770 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.100 7.464 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.055 9.416 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.418 8.378 3.681 1.00 0.00 H new ATOM 0 HG LEU A 112 0.317 8.511 3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.965 10.875 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.469 10.087 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.645 11.200 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.103 10.211 5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.704 10.543 4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.362 8.952 5.686 1.00 0.00 H new ATOM 1756 N PHE A 113 -0.713 5.376 3.337 1.00 0.00 N ATOM 1757 CA PHE A 113 -1.096 4.110 4.016 1.00 0.00 C ATOM 1758 C PHE A 113 -0.879 4.237 5.525 1.00 0.00 C ATOM 1759 O PHE A 113 0.136 4.726 5.974 1.00 0.00 O ATOM 1760 CB PHE A 113 -0.225 2.984 3.471 1.00 0.00 C ATOM 1761 CG PHE A 113 -1.011 1.703 3.469 1.00 0.00 C ATOM 1762 CD1 PHE A 113 -1.901 1.424 2.422 1.00 0.00 C ATOM 1763 CD2 PHE A 113 -0.844 0.789 4.512 1.00 0.00 C ATOM 1764 CE1 PHE A 113 -2.618 0.223 2.425 1.00 0.00 C ATOM 1765 CE2 PHE A 113 -1.558 -0.407 4.510 1.00 0.00 C ATOM 1766 CZ PHE A 113 -2.442 -0.692 3.470 1.00 0.00 C ATOM 0 H PHE A 113 0.290 5.545 3.263 1.00 0.00 H new ATOM 0 HA PHE A 113 -2.149 3.898 3.829 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.106 3.222 2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.671 2.873 4.082 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.032 2.133 1.618 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -0.162 1.010 5.320 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -3.306 0.002 1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.427 -1.115 5.315 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.992 -1.621 3.471 1.00 0.00 H new ATOM 1776 N CYS A 114 -1.828 3.797 6.308 1.00 0.00 N ATOM 1777 CA CYS A 114 -1.685 3.887 7.791 1.00 0.00 C ATOM 1778 C CYS A 114 -1.721 2.480 8.392 1.00 0.00 C ATOM 1779 O CYS A 114 -2.335 1.582 7.853 1.00 0.00 O ATOM 1780 CB CYS A 114 -2.836 4.716 8.362 1.00 0.00 C ATOM 1781 SG CYS A 114 -2.370 5.346 9.993 1.00 0.00 S ATOM 0 H CYS A 114 -2.699 3.378 5.983 1.00 0.00 H new ATOM 0 HA CYS A 114 -0.736 4.363 8.038 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -3.069 5.544 7.693 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.736 4.105 8.439 1.00 0.00 H new ATOM 0 HG CYS A 114 -3.272 5.003 10.864 1.00 0.00 H new ATOM 1787 N LEU A 115 -1.066 2.282 9.505 1.00 0.00 N ATOM 1788 CA LEU A 115 -1.061 0.933 10.141 1.00 0.00 C ATOM 1789 C LEU A 115 -1.287 1.065 11.650 1.00 0.00 C ATOM 1790 O LEU A 115 -0.629 1.837 12.321 1.00 0.00 O ATOM 1791 CB LEU A 115 0.293 0.265 9.899 1.00 0.00 C ATOM 1792 CG LEU A 115 0.169 -0.749 8.765 1.00 0.00 C ATOM 1793 CD1 LEU A 115 1.565 -1.140 8.276 1.00 0.00 C ATOM 1794 CD2 LEU A 115 -0.561 -1.991 9.281 1.00 0.00 C ATOM 0 H LEU A 115 -0.534 2.997 10.001 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.859 0.331 9.706 1.00 0.00 H new ATOM 0 HB2 LEU A 115 1.041 1.017 9.648 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.633 -0.231 10.808 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.392 -0.312 7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.477 -1.864 7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.086 -0.253 7.915 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.128 -1.582 9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.653 -2.720 8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.004 -2.429 10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.554 -1.710 9.631 1.00 0.00 H new ATOM 1806 N HIS A 116 -2.201 0.305 12.193 1.00 0.00 N ATOM 1807 CA HIS A 116 -2.454 0.373 13.660 1.00 0.00 C ATOM 1808 C HIS A 116 -1.813 -0.845 14.331 1.00 0.00 C ATOM 1809 O HIS A 116 -2.262 -1.962 14.164 1.00 0.00 O ATOM 1810 CB HIS A 116 -3.962 0.373 13.922 1.00 0.00 C ATOM 1811 CG HIS A 116 -4.239 1.098 15.210 1.00 0.00 C ATOM 1812 ND1 HIS A 116 -3.400 0.995 16.309 1.00 0.00 N ATOM 1813 CD2 HIS A 116 -5.256 1.940 15.592 1.00 0.00 C ATOM 1814 CE1 HIS A 116 -3.920 1.754 17.292 1.00 0.00 C ATOM 1815 NE2 HIS A 116 -5.049 2.351 16.904 1.00 0.00 N ATOM 0 H HIS A 116 -2.783 -0.360 11.683 1.00 0.00 H new ATOM 0 HA HIS A 116 -2.023 1.287 14.068 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -4.487 0.857 13.098 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -4.333 -0.650 13.979 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -6.087 2.236 14.969 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -3.479 1.866 18.271 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -5.637 2.977 17.454 1.00 0.00 H new ATOM 1824 N ILE A 117 -0.769 -0.640 15.090 1.00 0.00 N ATOM 1825 CA ILE A 117 -0.105 -1.791 15.773 1.00 0.00 C ATOM 1826 C ILE A 117 0.280 -1.409 17.212 1.00 0.00 C ATOM 1827 O ILE A 117 1.077 -0.520 17.438 1.00 0.00 O ATOM 1828 CB ILE A 117 1.144 -2.192 14.988 1.00 0.00 C ATOM 1829 CG1 ILE A 117 0.713 -2.830 13.661 1.00 0.00 C ATOM 1830 CG2 ILE A 117 1.966 -3.197 15.800 1.00 0.00 C ATOM 1831 CD1 ILE A 117 1.926 -2.995 12.746 1.00 0.00 C ATOM 0 H ILE A 117 -0.348 0.272 15.267 1.00 0.00 H new ATOM 0 HA ILE A 117 -0.797 -2.632 15.812 1.00 0.00 H new ATOM 0 HB ILE A 117 1.755 -1.310 14.793 1.00 0.00 H new ATOM 0 HG12 ILE A 117 0.252 -3.800 13.847 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -0.038 -2.207 13.175 1.00 0.00 H new ATOM 0 HG21 ILE A 117 2.855 -3.480 15.236 1.00 0.00 H new ATOM 0 HG22 ILE A 117 2.265 -2.744 16.745 1.00 0.00 H new ATOM 0 HG23 ILE A 117 1.364 -4.084 15.997 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.613 -3.449 11.805 1.00 0.00 H new ATOM 0 HD12 ILE A 117 2.368 -2.019 12.549 1.00 0.00 H new ATOM 0 HD13 ILE A 117 2.663 -3.636 13.230 1.00 0.00 H new ATOM 1843 N GLY A 118 -0.273 -2.084 18.181 1.00 0.00 N ATOM 1844 CA GLY A 118 0.063 -1.774 19.607 1.00 0.00 C ATOM 1845 C GLY A 118 -0.433 -0.367 19.973 1.00 0.00 C ATOM 1846 O GLY A 118 -1.515 0.036 19.597 1.00 0.00 O ATOM 0 H GLY A 118 -0.945 -2.840 18.051 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -0.395 -2.512 20.265 1.00 0.00 H new ATOM 0 HA3 GLY A 118 1.141 -1.838 19.757 1.00 0.00 H new ATOM 1850 N ASP A 119 0.353 0.386 20.710 1.00 0.00 N ATOM 1851 CA ASP A 119 -0.064 1.766 21.107 1.00 0.00 C ATOM 1852 C ASP A 119 0.672 2.796 20.242 1.00 0.00 C ATOM 1853 O ASP A 119 0.976 3.887 20.676 1.00 0.00 O ATOM 1854 CB ASP A 119 0.284 1.997 22.580 1.00 0.00 C ATOM 1855 CG ASP A 119 1.558 1.228 22.933 1.00 0.00 C ATOM 1856 OD1 ASP A 119 2.630 1.727 22.637 1.00 0.00 O ATOM 1857 OD2 ASP A 119 1.438 0.152 23.495 1.00 0.00 O ATOM 0 H ASP A 119 1.270 0.100 21.054 1.00 0.00 H new ATOM 0 HA ASP A 119 -1.139 1.875 20.963 1.00 0.00 H new ATOM 0 HB2 ASP A 119 0.426 3.061 22.768 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -0.539 1.668 23.214 1.00 0.00 H new ATOM 1862 N GLU A 120 0.958 2.452 19.021 1.00 0.00 N ATOM 1863 CA GLU A 120 1.664 3.408 18.117 1.00 0.00 C ATOM 1864 C GLU A 120 0.987 3.389 16.753 1.00 0.00 C ATOM 1865 O GLU A 120 0.482 2.367 16.328 1.00 0.00 O ATOM 1866 CB GLU A 120 3.126 2.988 17.956 1.00 0.00 C ATOM 1867 CG GLU A 120 3.944 3.518 19.131 1.00 0.00 C ATOM 1868 CD GLU A 120 3.492 2.832 20.420 1.00 0.00 C ATOM 1869 OE1 GLU A 120 2.997 1.721 20.335 1.00 0.00 O ATOM 1870 OE2 GLU A 120 3.652 3.430 21.471 1.00 0.00 O ATOM 0 H GLU A 120 0.734 1.548 18.605 1.00 0.00 H new ATOM 0 HA GLU A 120 1.622 4.410 18.544 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.200 1.901 17.909 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.525 3.375 17.018 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.005 3.334 18.961 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.818 4.597 19.218 1.00 0.00 H new ATOM 1877 N VAL A 121 0.972 4.490 16.043 1.00 0.00 N ATOM 1878 CA VAL A 121 0.331 4.501 14.703 1.00 0.00 C ATOM 1879 C VAL A 121 1.410 4.789 13.657 1.00 0.00 C ATOM 1880 O VAL A 121 2.039 5.828 13.679 1.00 0.00 O ATOM 1881 CB VAL A 121 -0.714 5.621 14.670 1.00 0.00 C ATOM 1882 CG1 VAL A 121 -1.949 5.163 13.891 1.00 0.00 C ATOM 1883 CG2 VAL A 121 -1.115 5.980 16.104 1.00 0.00 C ATOM 0 H VAL A 121 1.377 5.378 16.338 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.147 3.543 14.496 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.289 6.495 14.177 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.686 5.966 13.873 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -1.662 4.911 12.870 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.379 4.286 14.374 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -1.859 6.777 16.085 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.536 5.102 16.595 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.236 6.317 16.654 1.00 0.00 H new ATOM 1893 N PHE A 122 1.642 3.885 12.754 1.00 0.00 N ATOM 1894 CA PHE A 122 2.689 4.110 11.725 1.00 0.00 C ATOM 1895 C PHE A 122 2.042 4.778 10.512 1.00 0.00 C ATOM 1896 O PHE A 122 0.959 4.421 10.097 1.00 0.00 O ATOM 1897 CB PHE A 122 3.278 2.755 11.318 1.00 0.00 C ATOM 1898 CG PHE A 122 3.969 2.110 12.503 1.00 0.00 C ATOM 1899 CD1 PHE A 122 3.220 1.681 13.607 1.00 0.00 C ATOM 1900 CD2 PHE A 122 5.358 1.929 12.490 1.00 0.00 C ATOM 1901 CE1 PHE A 122 3.860 1.076 14.694 1.00 0.00 C ATOM 1902 CE2 PHE A 122 5.995 1.322 13.579 1.00 0.00 C ATOM 1903 CZ PHE A 122 5.247 0.897 14.680 1.00 0.00 C ATOM 0 H PHE A 122 1.149 2.995 12.683 1.00 0.00 H new ATOM 0 HA PHE A 122 3.482 4.748 12.115 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.487 2.102 10.949 1.00 0.00 H new ATOM 0 HB3 PHE A 122 3.988 2.889 10.502 1.00 0.00 H new ATOM 0 HD1 PHE A 122 2.149 1.817 13.619 1.00 0.00 H new ATOM 0 HD2 PHE A 122 5.937 2.258 11.640 1.00 0.00 H new ATOM 0 HE1 PHE A 122 3.282 0.747 15.545 1.00 0.00 H new ATOM 0 HE2 PHE A 122 7.066 1.182 13.568 1.00 0.00 H new ATOM 0 HZ PHE A 122 5.740 0.430 15.520 1.00 0.00 H new ATOM 1913 N GLN A 123 2.722 5.713 9.919 1.00 0.00 N ATOM 1914 CA GLN A 123 2.190 6.381 8.702 1.00 0.00 C ATOM 1915 C GLN A 123 3.235 6.233 7.595 1.00 0.00 C ATOM 1916 O GLN A 123 4.242 6.911 7.604 1.00 0.00 O ATOM 1917 CB GLN A 123 1.937 7.866 8.993 1.00 0.00 C ATOM 1918 CG GLN A 123 1.085 8.474 7.878 1.00 0.00 C ATOM 1919 CD GLN A 123 0.785 9.937 8.209 1.00 0.00 C ATOM 1920 OE1 GLN A 123 -0.074 10.225 9.019 1.00 0.00 O ATOM 1921 NE2 GLN A 123 1.459 10.881 7.611 1.00 0.00 N ATOM 0 H GLN A 123 3.635 6.048 10.228 1.00 0.00 H new ATOM 0 HA GLN A 123 1.247 5.927 8.396 1.00 0.00 H new ATOM 0 HB2 GLN A 123 1.431 7.977 9.952 1.00 0.00 H new ATOM 0 HB3 GLN A 123 2.885 8.398 9.070 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.610 8.405 6.925 1.00 0.00 H new ATOM 0 HG3 GLN A 123 0.155 7.916 7.770 1.00 0.00 H new ATOM 0 HE21 GLN A 123 2.180 10.640 6.931 1.00 0.00 H new ATOM 0 HE22 GLN A 123 1.265 11.859 7.824 1.00 0.00 H new ATOM 1930 N VAL A 124 3.028 5.344 6.658 1.00 0.00 N ATOM 1931 CA VAL A 124 4.041 5.163 5.576 1.00 0.00 C ATOM 1932 C VAL A 124 3.434 5.532 4.222 1.00 0.00 C ATOM 1933 O VAL A 124 2.376 5.061 3.857 1.00 0.00 O ATOM 1934 CB VAL A 124 4.482 3.699 5.527 1.00 0.00 C ATOM 1935 CG1 VAL A 124 5.825 3.593 4.798 1.00 0.00 C ATOM 1936 CG2 VAL A 124 4.619 3.150 6.947 1.00 0.00 C ATOM 0 H VAL A 124 2.208 4.740 6.595 1.00 0.00 H new ATOM 0 HA VAL A 124 4.895 5.808 5.785 1.00 0.00 H new ATOM 0 HB VAL A 124 3.733 3.115 4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 124 6.139 2.550 4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 124 5.719 3.974 3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 124 6.575 4.180 5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.933 2.107 6.905 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.363 3.732 7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.659 3.219 7.458 1.00 0.00 H new ATOM 1946 N LEU A 125 4.096 6.365 3.472 1.00 0.00 N ATOM 1947 CA LEU A 125 3.550 6.748 2.146 1.00 0.00 C ATOM 1948 C LEU A 125 3.958 5.678 1.139 1.00 0.00 C ATOM 1949 O LEU A 125 5.070 5.180 1.170 1.00 0.00 O ATOM 1950 CB LEU A 125 4.120 8.103 1.720 1.00 0.00 C ATOM 1951 CG LEU A 125 2.992 9.133 1.612 1.00 0.00 C ATOM 1952 CD1 LEU A 125 3.593 10.537 1.576 1.00 0.00 C ATOM 1953 CD2 LEU A 125 2.191 8.891 0.329 1.00 0.00 C ATOM 0 H LEU A 125 4.987 6.795 3.719 1.00 0.00 H new ATOM 0 HA LEU A 125 2.464 6.828 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.862 8.439 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.630 8.008 0.761 1.00 0.00 H new ATOM 0 HG LEU A 125 2.331 9.037 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.793 11.273 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 125 4.162 10.713 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.254 10.628 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.389 9.626 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.850 8.986 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 125 1.763 7.889 0.351 1.00 0.00 H new ATOM 1965 N CYS A 126 3.061 5.327 0.253 1.00 0.00 N ATOM 1966 CA CYS A 126 3.373 4.283 -0.766 1.00 0.00 C ATOM 1967 C CYS A 126 3.110 4.822 -2.171 1.00 0.00 C ATOM 1968 O CYS A 126 2.086 5.418 -2.443 1.00 0.00 O ATOM 1969 CB CYS A 126 2.494 3.058 -0.536 1.00 0.00 C ATOM 1970 SG CYS A 126 0.761 3.571 -0.430 1.00 0.00 S ATOM 0 H CYS A 126 2.122 5.721 0.192 1.00 0.00 H new ATOM 0 HA CYS A 126 4.424 4.009 -0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 126 2.624 2.345 -1.350 1.00 0.00 H new ATOM 0 HB3 CYS A 126 2.791 2.551 0.382 1.00 0.00 H new ATOM 0 HG CYS A 126 0.024 2.757 -1.126 1.00 0.00 H new ATOM 1976 N GLU A 127 4.022 4.592 -3.070 1.00 0.00 N ATOM 1977 CA GLU A 127 3.831 5.060 -4.468 1.00 0.00 C ATOM 1978 C GLU A 127 4.444 4.041 -5.437 1.00 0.00 C ATOM 1979 O GLU A 127 5.138 3.130 -5.034 1.00 0.00 O ATOM 1980 CB GLU A 127 4.519 6.414 -4.645 1.00 0.00 C ATOM 1981 CG GLU A 127 4.038 7.375 -3.556 1.00 0.00 C ATOM 1982 CD GLU A 127 4.646 8.756 -3.803 1.00 0.00 C ATOM 1983 OE1 GLU A 127 5.482 8.864 -4.685 1.00 0.00 O ATOM 1984 OE2 GLU A 127 4.264 9.683 -3.107 1.00 0.00 O ATOM 0 H GLU A 127 4.897 4.097 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 127 2.766 5.162 -4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 127 5.601 6.295 -4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.295 6.822 -5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.950 7.437 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.330 7.006 -2.573 1.00 0.00 H new ATOM 1991 N LYS A 128 4.204 4.195 -6.713 1.00 0.00 N ATOM 1992 CA LYS A 128 4.784 3.252 -7.722 1.00 0.00 C ATOM 1993 C LYS A 128 6.284 3.098 -7.484 1.00 0.00 C ATOM 1994 O LYS A 128 6.960 2.307 -8.115 1.00 0.00 O ATOM 1995 CB LYS A 128 4.551 3.823 -9.133 1.00 0.00 C ATOM 1996 CG LYS A 128 5.447 5.048 -9.437 1.00 0.00 C ATOM 1997 CD LYS A 128 4.899 6.311 -8.763 1.00 0.00 C ATOM 1998 CE LYS A 128 3.513 6.646 -9.317 1.00 0.00 C ATOM 1999 NZ LYS A 128 3.374 8.127 -9.455 1.00 0.00 N ATOM 0 H LYS A 128 3.627 4.939 -7.105 1.00 0.00 H new ATOM 0 HA LYS A 128 4.303 2.278 -7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 128 4.743 3.045 -9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 128 3.504 4.109 -9.237 1.00 0.00 H new ATOM 0 HG2 LYS A 128 6.462 4.856 -9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 128 5.505 5.202 -10.514 1.00 0.00 H new ATOM 0 HD2 LYS A 128 4.841 6.161 -7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 128 5.578 7.146 -8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 128 3.371 6.165 -10.285 1.00 0.00 H new ATOM 0 HE3 LYS A 128 2.741 6.258 -8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 2.691 8.343 -10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 3.037 8.529 -8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 4.297 8.541 -9.696 1.00 0.00 H new ATOM 2013 N ASN A 129 6.796 3.855 -6.571 1.00 0.00 N ATOM 2014 CA ASN A 129 8.243 3.785 -6.260 1.00 0.00 C ATOM 2015 C ASN A 129 8.574 2.498 -5.515 1.00 0.00 C ATOM 2016 O ASN A 129 9.383 1.706 -5.960 1.00 0.00 O ATOM 2017 CB ASN A 129 8.623 4.981 -5.406 1.00 0.00 C ATOM 2018 CG ASN A 129 9.216 6.063 -6.303 1.00 0.00 C ATOM 2019 OD1 ASN A 129 10.214 6.668 -5.969 1.00 0.00 O ATOM 2020 ND2 ASN A 129 8.638 6.330 -7.440 1.00 0.00 N ATOM 0 H ASN A 129 6.269 4.530 -6.017 1.00 0.00 H new ATOM 0 HA ASN A 129 8.807 3.796 -7.193 1.00 0.00 H new ATOM 0 HB2 ASN A 129 7.747 5.364 -4.883 1.00 0.00 H new ATOM 0 HB3 ASN A 129 9.345 4.686 -4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 129 9.024 7.049 -8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 129 7.800 5.820 -7.718 1.00 0.00 H new ATOM 2027 N ASP A 130 7.983 2.296 -4.372 1.00 0.00 N ATOM 2028 CA ASP A 130 8.291 1.069 -3.577 1.00 0.00 C ATOM 2029 C ASP A 130 7.087 0.115 -3.502 1.00 0.00 C ATOM 2030 O ASP A 130 6.121 0.229 -4.242 1.00 0.00 O ATOM 2031 CB ASP A 130 8.727 1.479 -2.168 1.00 0.00 C ATOM 2032 CG ASP A 130 10.018 2.301 -2.262 1.00 0.00 C ATOM 2033 OD1 ASP A 130 10.613 2.312 -3.328 1.00 0.00 O ATOM 2034 OD2 ASP A 130 10.391 2.908 -1.271 1.00 0.00 O ATOM 0 H ASP A 130 7.300 2.925 -3.951 1.00 0.00 H new ATOM 0 HA ASP A 130 9.097 0.532 -4.077 1.00 0.00 H new ATOM 0 HB2 ASP A 130 7.943 2.064 -1.687 1.00 0.00 H new ATOM 0 HB3 ASP A 130 8.888 0.594 -1.552 1.00 0.00 H new ATOM 2039 N LEU A 131 7.128 -0.807 -2.571 1.00 0.00 N ATOM 2040 CA LEU A 131 5.994 -1.756 -2.392 1.00 0.00 C ATOM 2041 C LEU A 131 5.892 -2.167 -0.928 1.00 0.00 C ATOM 2042 O LEU A 131 6.700 -2.925 -0.433 1.00 0.00 O ATOM 2043 CB LEU A 131 6.222 -2.968 -3.297 1.00 0.00 C ATOM 2044 CG LEU A 131 5.772 -4.297 -2.642 1.00 0.00 C ATOM 2045 CD1 LEU A 131 5.237 -5.227 -3.723 1.00 0.00 C ATOM 2046 CD2 LEU A 131 6.953 -4.997 -1.954 1.00 0.00 C ATOM 0 H LEU A 131 7.906 -0.941 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 131 5.053 -1.282 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 131 5.678 -2.826 -4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.280 -3.033 -3.551 1.00 0.00 H new ATOM 0 HG LEU A 131 5.005 -4.072 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 131 4.918 -6.166 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 131 4.388 -4.757 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.021 -5.425 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 131 6.611 -5.928 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 131 7.726 -5.214 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 131 7.361 -4.346 -1.181 1.00 0.00 H new ATOM 2058 N ILE A 132 4.932 -1.666 -0.219 1.00 0.00 N ATOM 2059 CA ILE A 132 4.818 -2.028 1.211 1.00 0.00 C ATOM 2060 C ILE A 132 3.714 -3.058 1.405 1.00 0.00 C ATOM 2061 O ILE A 132 2.735 -3.088 0.687 1.00 0.00 O ATOM 2062 CB ILE A 132 4.483 -0.779 1.994 1.00 0.00 C ATOM 2063 CG1 ILE A 132 4.724 -1.036 3.485 1.00 0.00 C ATOM 2064 CG2 ILE A 132 3.013 -0.413 1.769 1.00 0.00 C ATOM 2065 CD1 ILE A 132 4.494 0.253 4.275 1.00 0.00 C ATOM 0 H ILE A 132 4.221 -1.022 -0.566 1.00 0.00 H new ATOM 0 HA ILE A 132 5.759 -2.455 1.558 1.00 0.00 H new ATOM 0 HB ILE A 132 5.115 0.043 1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.053 -1.817 3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.742 -1.393 3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 132 2.772 0.488 2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 132 2.841 -0.233 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 132 2.378 -1.233 2.105 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.666 0.066 5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 132 5.183 1.022 3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 132 3.468 0.591 4.129 1.00 0.00 H new ATOM 2077 N SER A 133 3.872 -3.901 2.380 1.00 0.00 N ATOM 2078 CA SER A 133 2.850 -4.947 2.651 1.00 0.00 C ATOM 2079 C SER A 133 2.693 -5.089 4.161 1.00 0.00 C ATOM 2080 O SER A 133 3.676 -5.092 4.885 1.00 0.00 O ATOM 2081 CB SER A 133 3.333 -6.271 2.068 1.00 0.00 C ATOM 2082 OG SER A 133 2.329 -7.257 2.260 1.00 0.00 O ATOM 0 H SER A 133 4.675 -3.912 3.009 1.00 0.00 H new ATOM 0 HA SER A 133 1.896 -4.674 2.200 1.00 0.00 H new ATOM 0 HB2 SER A 133 3.550 -6.157 1.006 1.00 0.00 H new ATOM 0 HB3 SER A 133 4.260 -6.579 2.552 1.00 0.00 H new ATOM 0 HG SER A 133 1.449 -6.827 2.288 1.00 0.00 H new ATOM 2088 N VAL A 134 1.486 -5.186 4.662 1.00 0.00 N ATOM 2089 CA VAL A 134 1.308 -5.289 6.133 1.00 0.00 C ATOM 2090 C VAL A 134 0.936 -6.726 6.512 1.00 0.00 C ATOM 2091 O VAL A 134 0.305 -7.430 5.747 1.00 0.00 O ATOM 2092 CB VAL A 134 0.165 -4.356 6.539 1.00 0.00 C ATOM 2093 CG1 VAL A 134 0.431 -2.951 5.999 1.00 0.00 C ATOM 2094 CG2 VAL A 134 -1.147 -4.880 5.945 1.00 0.00 C ATOM 0 H VAL A 134 0.625 -5.198 4.115 1.00 0.00 H new ATOM 0 HA VAL A 134 2.232 -5.014 6.641 1.00 0.00 H new ATOM 0 HB VAL A 134 0.095 -4.321 7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -0.385 -2.289 6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 134 1.368 -2.575 6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 134 0.500 -2.986 4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -1.965 -4.219 6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -1.068 -4.910 4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -1.342 -5.884 6.323 1.00 0.00 H new ATOM 2104 N PRO A 135 1.336 -7.162 7.683 1.00 0.00 N ATOM 2105 CA PRO A 135 1.055 -8.545 8.170 1.00 0.00 C ATOM 2106 C PRO A 135 -0.433 -8.797 8.421 1.00 0.00 C ATOM 2107 O PRO A 135 -1.204 -7.880 8.624 1.00 0.00 O ATOM 2108 CB PRO A 135 1.836 -8.650 9.481 1.00 0.00 C ATOM 2109 CG PRO A 135 2.048 -7.248 9.933 1.00 0.00 C ATOM 2110 CD PRO A 135 2.096 -6.388 8.675 1.00 0.00 C ATOM 0 HA PRO A 135 1.348 -9.286 7.427 1.00 0.00 H new ATOM 0 HB2 PRO A 135 1.280 -9.222 10.224 1.00 0.00 H new ATOM 0 HB3 PRO A 135 2.787 -9.162 9.331 1.00 0.00 H new ATOM 0 HG2 PRO A 135 1.241 -6.927 10.591 1.00 0.00 H new ATOM 0 HG3 PRO A 135 2.975 -7.159 10.499 1.00 0.00 H new ATOM 0 HD2 PRO A 135 1.649 -5.409 8.844 1.00 0.00 H new ATOM 0 HD3 PRO A 135 3.122 -6.218 8.347 1.00 0.00 H new ATOM 2118 N ALA A 136 -0.840 -10.038 8.416 1.00 0.00 N ATOM 2119 CA ALA A 136 -2.273 -10.355 8.666 1.00 0.00 C ATOM 2120 C ALA A 136 -2.627 -9.962 10.103 1.00 0.00 C ATOM 2121 O ALA A 136 -1.775 -9.557 10.866 1.00 0.00 O ATOM 2122 CB ALA A 136 -2.509 -11.854 8.472 1.00 0.00 C ATOM 0 H ALA A 136 -0.240 -10.846 8.249 1.00 0.00 H new ATOM 0 HA ALA A 136 -2.900 -9.801 7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -3.559 -12.084 8.656 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.249 -12.134 7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.887 -12.414 9.171 1.00 0.00 H new ATOM 2128 N HIS A 137 -3.881 -10.064 10.466 1.00 0.00 N ATOM 2129 CA HIS A 137 -4.310 -9.690 11.850 1.00 0.00 C ATOM 2130 C HIS A 137 -4.031 -8.209 12.095 1.00 0.00 C ATOM 2131 O HIS A 137 -4.317 -7.682 13.150 1.00 0.00 O ATOM 2132 CB HIS A 137 -3.560 -10.539 12.881 1.00 0.00 C ATOM 2133 CG HIS A 137 -3.770 -11.989 12.561 1.00 0.00 C ATOM 2134 ND1 HIS A 137 -5.021 -12.487 12.238 1.00 0.00 N ATOM 2135 CD2 HIS A 137 -2.910 -13.057 12.501 1.00 0.00 C ATOM 2136 CE1 HIS A 137 -4.886 -13.801 11.999 1.00 0.00 C ATOM 2137 NE2 HIS A 137 -3.620 -14.199 12.147 1.00 0.00 N ATOM 0 H HIS A 137 -4.632 -10.393 9.859 1.00 0.00 H new ATOM 0 HA HIS A 137 -5.379 -9.875 11.952 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -2.497 -10.300 12.865 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -3.921 -10.318 13.885 1.00 0.00 H new ATOM 0 HD2 HIS A 137 -1.849 -13.017 12.698 1.00 0.00 H new ATOM 0 HE1 HIS A 137 -5.700 -14.455 11.722 1.00 0.00 H new ATOM 0 HE2 HIS A 137 -3.251 -15.142 12.026 1.00 0.00 H new ATOM 2146 N THR A 138 -3.492 -7.537 11.119 1.00 0.00 N ATOM 2147 CA THR A 138 -3.210 -6.083 11.282 1.00 0.00 C ATOM 2148 C THR A 138 -4.179 -5.276 10.394 1.00 0.00 C ATOM 2149 O THR A 138 -4.174 -5.434 9.189 1.00 0.00 O ATOM 2150 CB THR A 138 -1.762 -5.792 10.878 1.00 0.00 C ATOM 2151 OG1 THR A 138 -0.936 -6.877 11.280 1.00 0.00 O ATOM 2152 CG2 THR A 138 -1.291 -4.509 11.567 1.00 0.00 C ATOM 0 H THR A 138 -3.234 -7.931 10.214 1.00 0.00 H new ATOM 0 HA THR A 138 -3.351 -5.795 12.324 1.00 0.00 H new ATOM 0 HB THR A 138 -1.700 -5.667 9.797 1.00 0.00 H new ATOM 0 HG1 THR A 138 -0.924 -7.558 10.575 1.00 0.00 H new ATOM 0 HG21 THR A 138 -0.260 -4.300 11.281 1.00 0.00 H new ATOM 0 HG22 THR A 138 -1.928 -3.678 11.263 1.00 0.00 H new ATOM 0 HG23 THR A 138 -1.349 -4.634 12.648 1.00 0.00 H new ATOM 2160 N PRO A 139 -5.011 -4.424 10.962 1.00 0.00 N ATOM 2161 CA PRO A 139 -5.980 -3.617 10.160 1.00 0.00 C ATOM 2162 C PRO A 139 -5.281 -2.500 9.380 1.00 0.00 C ATOM 2163 O PRO A 139 -4.402 -1.833 9.888 1.00 0.00 O ATOM 2164 CB PRO A 139 -6.922 -3.016 11.207 1.00 0.00 C ATOM 2165 CG PRO A 139 -6.141 -2.989 12.477 1.00 0.00 C ATOM 2166 CD PRO A 139 -5.120 -4.123 12.401 1.00 0.00 C ATOM 0 HA PRO A 139 -6.493 -4.226 9.416 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -7.239 -2.013 10.920 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -7.825 -3.618 11.314 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -5.641 -2.028 12.601 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -6.799 -3.120 13.336 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -4.159 -3.821 12.817 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -5.452 -4.995 12.965 1.00 0.00 H new ATOM 2174 N HIS A 140 -5.700 -2.259 8.171 1.00 0.00 N ATOM 2175 CA HIS A 140 -5.108 -1.143 7.382 1.00 0.00 C ATOM 2176 C HIS A 140 -6.225 -0.389 6.649 1.00 0.00 C ATOM 2177 O HIS A 140 -7.114 -0.995 6.086 1.00 0.00 O ATOM 2178 CB HIS A 140 -4.096 -1.695 6.385 1.00 0.00 C ATOM 2179 CG HIS A 140 -4.614 -2.969 5.804 1.00 0.00 C ATOM 2180 ND1 HIS A 140 -4.844 -4.095 6.586 1.00 0.00 N ATOM 2181 CD2 HIS A 140 -4.931 -3.328 4.520 1.00 0.00 C ATOM 2182 CE1 HIS A 140 -5.276 -5.071 5.768 1.00 0.00 C ATOM 2183 NE2 HIS A 140 -5.337 -4.643 4.506 1.00 0.00 N ATOM 0 H HIS A 140 -6.429 -2.788 7.693 1.00 0.00 H new ATOM 0 HA HIS A 140 -4.595 -0.453 8.052 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -3.916 -0.968 5.593 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -3.141 -1.870 6.880 1.00 0.00 H new ATOM 0 HD1 HIS A 140 -4.710 -4.168 7.595 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -4.872 -2.682 3.657 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -5.538 -6.068 6.090 1.00 0.00 H new ATOM 2191 N TRP A 141 -6.179 0.916 6.621 1.00 0.00 N ATOM 2192 CA TRP A 141 -7.228 1.686 5.882 1.00 0.00 C ATOM 2193 C TRP A 141 -6.525 2.683 4.949 1.00 0.00 C ATOM 2194 O TRP A 141 -5.431 3.130 5.232 1.00 0.00 O ATOM 2195 CB TRP A 141 -8.126 2.448 6.863 1.00 0.00 C ATOM 2196 CG TRP A 141 -7.302 3.381 7.684 1.00 0.00 C ATOM 2197 CD1 TRP A 141 -6.904 4.618 7.304 1.00 0.00 C ATOM 2198 CD2 TRP A 141 -6.778 3.174 9.021 1.00 0.00 C ATOM 2199 NE1 TRP A 141 -6.159 5.178 8.327 1.00 0.00 N ATOM 2200 CE2 TRP A 141 -6.054 4.324 9.408 1.00 0.00 C ATOM 2201 CE3 TRP A 141 -6.860 2.103 9.926 1.00 0.00 C ATOM 2202 CZ2 TRP A 141 -5.431 4.407 10.655 1.00 0.00 C ATOM 2203 CZ3 TRP A 141 -6.237 2.181 11.179 1.00 0.00 C ATOM 2204 CH2 TRP A 141 -5.523 3.330 11.545 1.00 0.00 C ATOM 0 H TRP A 141 -5.464 1.483 7.076 1.00 0.00 H new ATOM 0 HA TRP A 141 -7.851 0.999 5.310 1.00 0.00 H new ATOM 0 HB2 TRP A 141 -8.886 3.005 6.316 1.00 0.00 H new ATOM 0 HB3 TRP A 141 -8.650 1.745 7.511 1.00 0.00 H new ATOM 0 HD1 TRP A 141 -7.130 5.090 6.359 1.00 0.00 H new ATOM 0 HE1 TRP A 141 -5.739 6.107 8.288 1.00 0.00 H new ATOM 0 HE3 TRP A 141 -7.407 1.213 9.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 -4.882 5.295 10.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 -6.308 1.351 11.866 1.00 0.00 H new ATOM 0 HH2 TRP A 141 -5.045 3.385 12.512 1.00 0.00 H new ATOM 2215 N PHE A 142 -7.126 3.042 3.844 1.00 0.00 N ATOM 2216 CA PHE A 142 -6.453 4.009 2.918 1.00 0.00 C ATOM 2217 C PHE A 142 -6.873 5.434 3.284 1.00 0.00 C ATOM 2218 O PHE A 142 -7.950 5.660 3.793 1.00 0.00 O ATOM 2219 CB PHE A 142 -6.880 3.731 1.471 1.00 0.00 C ATOM 2220 CG PHE A 142 -5.871 2.845 0.773 1.00 0.00 C ATOM 2221 CD1 PHE A 142 -4.694 3.397 0.241 1.00 0.00 C ATOM 2222 CD2 PHE A 142 -6.120 1.474 0.636 1.00 0.00 C ATOM 2223 CE1 PHE A 142 -3.773 2.583 -0.417 1.00 0.00 C ATOM 2224 CE2 PHE A 142 -5.195 0.659 -0.030 1.00 0.00 C ATOM 2225 CZ PHE A 142 -4.021 1.217 -0.555 1.00 0.00 C ATOM 0 H PHE A 142 -8.043 2.713 3.543 1.00 0.00 H new ATOM 0 HA PHE A 142 -5.373 3.896 3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -7.859 3.252 1.462 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -6.980 4.672 0.930 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -4.502 4.455 0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -7.024 1.045 1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -2.867 3.010 -0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -5.386 -0.398 -0.139 1.00 0.00 H new ATOM 0 HZ PHE A 142 -3.307 0.588 -1.067 1.00 0.00 H new ATOM 2235 N ASP A 143 -6.033 6.401 3.028 1.00 0.00 N ATOM 2236 CA ASP A 143 -6.406 7.805 3.360 1.00 0.00 C ATOM 2237 C ASP A 143 -6.961 8.480 2.103 1.00 0.00 C ATOM 2238 O ASP A 143 -6.239 8.748 1.165 1.00 0.00 O ATOM 2239 CB ASP A 143 -5.164 8.564 3.833 1.00 0.00 C ATOM 2240 CG ASP A 143 -5.581 9.908 4.433 1.00 0.00 C ATOM 2241 OD1 ASP A 143 -6.770 10.109 4.613 1.00 0.00 O ATOM 2242 OD2 ASP A 143 -4.704 10.713 4.702 1.00 0.00 O ATOM 0 H ASP A 143 -5.112 6.281 2.607 1.00 0.00 H new ATOM 0 HA ASP A 143 -7.157 7.811 4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -4.626 7.974 4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -4.483 8.723 2.997 1.00 0.00 H new ATOM 2247 N MET A 144 -8.235 8.762 2.077 1.00 0.00 N ATOM 2248 CA MET A 144 -8.820 9.423 0.877 1.00 0.00 C ATOM 2249 C MET A 144 -8.882 10.934 1.094 1.00 0.00 C ATOM 2250 O MET A 144 -8.026 11.674 0.650 1.00 0.00 O ATOM 2251 CB MET A 144 -10.228 8.884 0.631 1.00 0.00 C ATOM 2252 CG MET A 144 -10.162 7.377 0.358 1.00 0.00 C ATOM 2253 SD MET A 144 -9.919 7.089 -1.415 1.00 0.00 S ATOM 2254 CE MET A 144 -10.268 5.311 -1.414 1.00 0.00 C ATOM 0 H MET A 144 -8.893 8.564 2.831 1.00 0.00 H new ATOM 0 HA MET A 144 -8.193 9.211 0.011 1.00 0.00 H new ATOM 0 HB2 MET A 144 -10.860 9.079 1.498 1.00 0.00 H new ATOM 0 HB3 MET A 144 -10.682 9.398 -0.216 1.00 0.00 H new ATOM 0 HG2 MET A 144 -9.345 6.930 0.924 1.00 0.00 H new ATOM 0 HG3 MET A 144 -11.082 6.896 0.692 1.00 0.00 H new ATOM 0 HE1 MET A 144 -10.173 4.921 -2.427 1.00 0.00 H new ATOM 0 HE2 MET A 144 -9.559 4.801 -0.761 1.00 0.00 H new ATOM 0 HE3 MET A 144 -11.282 5.139 -1.053 1.00 0.00 H new ATOM 2264 N GLY A 145 -9.897 11.394 1.772 1.00 0.00 N ATOM 2265 CA GLY A 145 -10.039 12.860 2.025 1.00 0.00 C ATOM 2266 C GLY A 145 -10.287 13.587 0.701 1.00 0.00 C ATOM 2267 O GLY A 145 -11.033 14.543 0.629 1.00 0.00 O ATOM 0 H GLY A 145 -10.640 10.816 2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -10.865 13.042 2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -9.138 13.246 2.501 1.00 0.00 H new ATOM 2271 N SER A 146 -9.662 13.125 -0.341 1.00 0.00 N ATOM 2272 CA SER A 146 -9.822 13.748 -1.682 1.00 0.00 C ATOM 2273 C SER A 146 -10.336 12.692 -2.655 1.00 0.00 C ATOM 2274 O SER A 146 -10.513 11.543 -2.299 1.00 0.00 O ATOM 2275 CB SER A 146 -8.469 14.259 -2.175 1.00 0.00 C ATOM 2276 OG SER A 146 -8.144 15.465 -1.499 1.00 0.00 O ATOM 0 H SER A 146 -9.032 12.323 -0.320 1.00 0.00 H new ATOM 0 HA SER A 146 -10.524 14.579 -1.619 1.00 0.00 H new ATOM 0 HB2 SER A 146 -7.698 13.510 -1.996 1.00 0.00 H new ATOM 0 HB3 SER A 146 -8.503 14.430 -3.251 1.00 0.00 H new ATOM 0 HG SER A 146 -7.275 15.792 -1.813 1.00 0.00 H new ATOM 2282 N GLU A 147 -10.563 13.065 -3.887 1.00 0.00 N ATOM 2283 CA GLU A 147 -11.044 12.072 -4.889 1.00 0.00 C ATOM 2284 C GLU A 147 -9.988 11.854 -5.996 1.00 0.00 C ATOM 2285 O GLU A 147 -10.282 12.008 -7.163 1.00 0.00 O ATOM 2286 CB GLU A 147 -12.336 12.596 -5.525 1.00 0.00 C ATOM 2287 CG GLU A 147 -13.524 12.261 -4.620 1.00 0.00 C ATOM 2288 CD GLU A 147 -14.769 13.000 -5.112 1.00 0.00 C ATOM 2289 OE1 GLU A 147 -14.746 14.219 -5.117 1.00 0.00 O ATOM 2290 OE2 GLU A 147 -15.725 12.334 -5.474 1.00 0.00 O ATOM 0 H GLU A 147 -10.436 14.013 -4.241 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.223 11.122 -4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -12.270 13.674 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -12.477 12.148 -6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -13.703 11.186 -4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -13.302 12.546 -3.592 1.00 0.00 H new ATOM 2297 N PRO A 148 -8.766 11.481 -5.655 1.00 0.00 N ATOM 2298 CA PRO A 148 -7.702 11.221 -6.665 1.00 0.00 C ATOM 2299 C PRO A 148 -7.780 9.805 -7.245 1.00 0.00 C ATOM 2300 O PRO A 148 -8.032 8.846 -6.543 1.00 0.00 O ATOM 2301 CB PRO A 148 -6.418 11.370 -5.860 1.00 0.00 C ATOM 2302 CG PRO A 148 -6.782 10.906 -4.493 1.00 0.00 C ATOM 2303 CD PRO A 148 -8.251 11.284 -4.289 1.00 0.00 C ATOM 0 HA PRO A 148 -7.783 11.893 -7.519 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.612 10.769 -6.282 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -6.073 12.404 -5.850 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -6.640 9.829 -4.397 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -6.151 11.379 -3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -8.796 10.497 -3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -8.350 12.190 -3.691 1.00 0.00 H new ATOM 2311 N ASN A 149 -7.555 9.669 -8.517 1.00 0.00 N ATOM 2312 CA ASN A 149 -7.608 8.315 -9.133 1.00 0.00 C ATOM 2313 C ASN A 149 -6.271 7.609 -8.880 1.00 0.00 C ATOM 2314 O ASN A 149 -5.343 7.712 -9.658 1.00 0.00 O ATOM 2315 CB ASN A 149 -7.850 8.450 -10.638 1.00 0.00 C ATOM 2316 CG ASN A 149 -6.784 9.366 -11.236 1.00 0.00 C ATOM 2317 OD1 ASN A 149 -6.856 10.572 -11.095 1.00 0.00 O ATOM 2318 ND2 ASN A 149 -5.787 8.845 -11.893 1.00 0.00 N ATOM 0 H ASN A 149 -7.337 10.432 -9.157 1.00 0.00 H new ATOM 0 HA ASN A 149 -8.419 7.733 -8.695 1.00 0.00 H new ATOM 0 HB2 ASN A 149 -7.814 7.470 -11.114 1.00 0.00 H new ATOM 0 HB3 ASN A 149 -8.844 8.858 -10.824 1.00 0.00 H new ATOM 0 HD21 ASN A 149 -5.066 9.448 -12.289 1.00 0.00 H new ATOM 0 HD22 ASN A 149 -5.727 7.834 -12.011 1.00 0.00 H new ATOM 2325 N PHE A 150 -6.169 6.901 -7.784 1.00 0.00 N ATOM 2326 CA PHE A 150 -4.898 6.189 -7.455 1.00 0.00 C ATOM 2327 C PHE A 150 -4.954 4.748 -7.969 1.00 0.00 C ATOM 2328 O PHE A 150 -5.956 4.070 -7.865 1.00 0.00 O ATOM 2329 CB PHE A 150 -4.684 6.207 -5.931 1.00 0.00 C ATOM 2330 CG PHE A 150 -5.325 4.994 -5.285 1.00 0.00 C ATOM 2331 CD1 PHE A 150 -6.676 4.690 -5.524 1.00 0.00 C ATOM 2332 CD2 PHE A 150 -4.559 4.163 -4.450 1.00 0.00 C ATOM 2333 CE1 PHE A 150 -7.259 3.561 -4.928 1.00 0.00 C ATOM 2334 CE2 PHE A 150 -5.144 3.035 -3.861 1.00 0.00 C ATOM 2335 CZ PHE A 150 -6.492 2.735 -4.100 1.00 0.00 C ATOM 0 H PHE A 150 -6.916 6.785 -7.099 1.00 0.00 H new ATOM 0 HA PHE A 150 -4.063 6.694 -7.940 1.00 0.00 H new ATOM 0 HB2 PHE A 150 -3.617 6.222 -5.709 1.00 0.00 H new ATOM 0 HB3 PHE A 150 -5.110 7.117 -5.510 1.00 0.00 H new ATOM 0 HD1 PHE A 150 -7.266 5.326 -6.167 1.00 0.00 H new ATOM 0 HD2 PHE A 150 -3.521 4.394 -4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 150 -8.299 3.330 -5.109 1.00 0.00 H new ATOM 0 HE2 PHE A 150 -4.555 2.395 -3.221 1.00 0.00 H new ATOM 0 HZ PHE A 150 -6.939 1.864 -3.644 1.00 0.00 H new ATOM 2345 N THR A 151 -3.874 4.276 -8.527 1.00 0.00 N ATOM 2346 CA THR A 151 -3.847 2.880 -9.042 1.00 0.00 C ATOM 2347 C THR A 151 -3.089 1.999 -8.048 1.00 0.00 C ATOM 2348 O THR A 151 -1.997 2.328 -7.625 1.00 0.00 O ATOM 2349 CB THR A 151 -3.147 2.843 -10.401 1.00 0.00 C ATOM 2350 OG1 THR A 151 -3.896 3.601 -11.340 1.00 0.00 O ATOM 2351 CG2 THR A 151 -3.036 1.393 -10.882 1.00 0.00 C ATOM 0 H THR A 151 -3.007 4.799 -8.649 1.00 0.00 H new ATOM 0 HA THR A 151 -4.866 2.512 -9.159 1.00 0.00 H new ATOM 0 HB THR A 151 -2.148 3.269 -10.306 1.00 0.00 H new ATOM 0 HG1 THR A 151 -3.406 4.419 -11.566 1.00 0.00 H new ATOM 0 HG21 THR A 151 -2.537 1.368 -11.851 1.00 0.00 H new ATOM 0 HG22 THR A 151 -2.459 0.814 -10.161 1.00 0.00 H new ATOM 0 HG23 THR A 151 -4.033 0.964 -10.977 1.00 0.00 H new ATOM 2359 N ALA A 152 -3.662 0.890 -7.663 1.00 0.00 N ATOM 2360 CA ALA A 152 -2.976 -0.006 -6.688 1.00 0.00 C ATOM 2361 C ALA A 152 -3.050 -1.463 -7.147 1.00 0.00 C ATOM 2362 O ALA A 152 -3.933 -1.852 -7.874 1.00 0.00 O ATOM 2363 CB ALA A 152 -3.614 0.131 -5.312 1.00 0.00 C ATOM 0 H ALA A 152 -4.575 0.566 -7.982 1.00 0.00 H new ATOM 0 HA ALA A 152 -1.928 0.290 -6.631 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -3.105 -0.528 -4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -3.527 1.163 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -4.667 -0.144 -5.370 1.00 0.00 H new ATOM 2369 N ILE A 153 -2.122 -2.261 -6.704 1.00 0.00 N ATOM 2370 CA ILE A 153 -2.124 -3.703 -7.082 1.00 0.00 C ATOM 2371 C ILE A 153 -2.154 -4.557 -5.824 1.00 0.00 C ATOM 2372 O ILE A 153 -1.391 -4.339 -4.932 1.00 0.00 O ATOM 2373 CB ILE A 153 -0.863 -4.021 -7.871 1.00 0.00 C ATOM 2374 CG1 ILE A 153 -0.771 -3.036 -9.032 1.00 0.00 C ATOM 2375 CG2 ILE A 153 -0.939 -5.461 -8.390 1.00 0.00 C ATOM 2376 CD1 ILE A 153 0.489 -3.289 -9.858 1.00 0.00 C ATOM 0 H ILE A 153 -1.357 -1.976 -6.093 1.00 0.00 H new ATOM 0 HA ILE A 153 -3.002 -3.916 -7.691 1.00 0.00 H new ATOM 0 HB ILE A 153 0.023 -3.929 -7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -1.652 -3.131 -9.666 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -0.762 -2.015 -8.649 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -0.037 -5.692 -8.956 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -1.025 -6.147 -7.548 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -1.810 -5.569 -9.036 1.00 0.00 H new ATOM 0 HD11 ILE A 153 0.534 -2.575 -10.681 1.00 0.00 H new ATOM 0 HD12 ILE A 153 1.369 -3.170 -9.225 1.00 0.00 H new ATOM 0 HD13 ILE A 153 0.464 -4.303 -10.258 1.00 0.00 H new ATOM 2388 N ARG A 154 -3.039 -5.513 -5.736 1.00 0.00 N ATOM 2389 CA ARG A 154 -3.099 -6.367 -4.508 1.00 0.00 C ATOM 2390 C ARG A 154 -2.703 -7.805 -4.866 1.00 0.00 C ATOM 2391 O ARG A 154 -3.198 -8.377 -5.817 1.00 0.00 O ATOM 2392 CB ARG A 154 -4.522 -6.345 -3.948 1.00 0.00 C ATOM 2393 CG ARG A 154 -4.597 -7.212 -2.686 1.00 0.00 C ATOM 2394 CD ARG A 154 -6.051 -7.311 -2.219 1.00 0.00 C ATOM 2395 NE ARG A 154 -6.574 -5.948 -1.935 1.00 0.00 N ATOM 2396 CZ ARG A 154 -7.858 -5.718 -1.982 1.00 0.00 C ATOM 2397 NH1 ARG A 154 -8.684 -6.686 -2.271 1.00 0.00 N ATOM 2398 NH2 ARG A 154 -8.314 -4.520 -1.738 1.00 0.00 N ATOM 0 H ARG A 154 -3.723 -5.742 -6.458 1.00 0.00 H new ATOM 0 HA ARG A 154 -2.409 -5.982 -3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -4.815 -5.321 -3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -5.223 -6.715 -4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -4.202 -8.207 -2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -3.980 -6.780 -1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -6.658 -7.793 -2.985 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -6.116 -7.931 -1.325 1.00 0.00 H new ATOM 0 HE ARG A 154 -5.929 -5.193 -1.703 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -8.326 -7.622 -2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -9.687 -6.506 -2.308 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -7.667 -3.765 -1.511 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -9.317 -4.339 -1.774 1.00 0.00 H new ATOM 2412 N ILE A 155 -1.802 -8.385 -4.112 1.00 0.00 N ATOM 2413 CA ILE A 155 -1.358 -9.779 -4.410 1.00 0.00 C ATOM 2414 C ILE A 155 -1.405 -10.630 -3.138 1.00 0.00 C ATOM 2415 O ILE A 155 -1.003 -10.194 -2.077 1.00 0.00 O ATOM 2416 CB ILE A 155 0.074 -9.743 -4.934 1.00 0.00 C ATOM 2417 CG1 ILE A 155 0.185 -8.716 -6.060 1.00 0.00 C ATOM 2418 CG2 ILE A 155 0.435 -11.120 -5.482 1.00 0.00 C ATOM 2419 CD1 ILE A 155 1.659 -8.497 -6.388 1.00 0.00 C ATOM 0 H ILE A 155 -1.356 -7.952 -3.303 1.00 0.00 H new ATOM 0 HA ILE A 155 -2.022 -10.215 -5.156 1.00 0.00 H new ATOM 0 HB ILE A 155 0.751 -9.470 -4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -0.349 -9.066 -6.943 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -0.278 -7.776 -5.759 1.00 0.00 H new ATOM 0 HG21 ILE A 155 1.457 -11.105 -5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 155 0.353 -11.861 -4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -0.247 -11.379 -6.292 1.00 0.00 H new ATOM 0 HD11 ILE A 155 1.748 -7.765 -7.191 1.00 0.00 H new ATOM 0 HD12 ILE A 155 2.178 -8.129 -5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 155 2.105 -9.440 -6.705 1.00 0.00 H new ATOM 2431 N PHE A 156 -1.882 -11.845 -3.230 1.00 0.00 N ATOM 2432 CA PHE A 156 -1.936 -12.709 -2.015 1.00 0.00 C ATOM 2433 C PHE A 156 -2.150 -14.168 -2.410 1.00 0.00 C ATOM 2434 O PHE A 156 -2.312 -14.492 -3.569 1.00 0.00 O ATOM 2435 CB PHE A 156 -3.082 -12.252 -1.127 1.00 0.00 C ATOM 2436 CG PHE A 156 -4.387 -12.437 -1.859 1.00 0.00 C ATOM 2437 CD1 PHE A 156 -4.722 -11.575 -2.909 1.00 0.00 C ATOM 2438 CD2 PHE A 156 -5.265 -13.462 -1.486 1.00 0.00 C ATOM 2439 CE1 PHE A 156 -5.932 -11.738 -3.590 1.00 0.00 C ATOM 2440 CE2 PHE A 156 -6.476 -13.626 -2.168 1.00 0.00 C ATOM 2441 CZ PHE A 156 -6.810 -12.763 -3.220 1.00 0.00 C ATOM 0 H PHE A 156 -2.233 -12.273 -4.087 1.00 0.00 H new ATOM 0 HA PHE A 156 -0.992 -12.625 -1.477 1.00 0.00 H new ATOM 0 HB2 PHE A 156 -3.088 -12.824 -0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 156 -2.950 -11.205 -0.855 1.00 0.00 H new ATOM 0 HD1 PHE A 156 -4.045 -10.783 -3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 156 -5.008 -14.125 -0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 156 -6.189 -11.073 -4.401 1.00 0.00 H new ATOM 0 HE2 PHE A 156 -7.153 -14.418 -1.883 1.00 0.00 H new ATOM 0 HZ PHE A 156 -7.745 -12.889 -3.745 1.00 0.00 H new TER 2451 PHE A 156 HETATM 2452 FE FE2 A 180 -5.905 -5.735 2.716 1.00 0.00 FE HETATM 2453 O HOH A 181 -6.497 -6.720 1.081 1.00 0.00 O HETATM 2456 O HOH A 182 -5.951 -4.018 1.700 1.00 0.00 O