USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 953 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 LYS NZ :NH3+ -169:sc= 0.47 (180deg=0) USER MOD Set 1.2: A 99 GLN : amide:sc= -2.28 K(o=-1.8,f=-5.3!) USER MOD Set 2.1: A 79 CYS SG : rot -124:sc= 0.239 USER MOD Set 2.2: A 83 ASN : amide:sc= 0.0463 X(o=0.29,f=0.2) USER MOD Set 3.1: A 56 ASN : amide:sc= 0.423 K(o=1.4,f=-0.68) USER MOD Set 3.2: A 62 TYR OH : rot -18:sc= 1.02 USER MOD Set 4.1: A 46 LYS NZ :NH3+ 180:sc=-0.00275 (180deg=0) USER MOD Set 4.2: A 48 MET CE :methyl 154:sc= -0.486 (180deg=-1.4!) USER MOD Set 5.1: A 20 GLN : amide:sc= 0 X(o=0,f=0.0026) USER MOD Set 5.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 18 GLN : amide:sc= -4.06! K(o=-7!,f=0) USER MOD Set 6.2: A 106 GLN : amide:sc= -2.97! K(o=-7!,f=1.4) USER MOD Set 7.1: A 14 LYS NZ :NH3+ -179:sc= -0.523 (180deg=-1.05) USER MOD Set 7.2: A 15 THR OG1 : rot 74:sc= 0.241 USER MOD Set 7.3: A 110 GLN : amide:sc= 0.198 K(o=-0.084,f=-2.9) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.106 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 48:sc= 0.757 USER MOD Single : A 6 SER OG : rot 180:sc=0.000339 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.7) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.923 K(o=-0.92,f=-0.31) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 56:sc= 0.448 USER MOD Single : A 53 MET CE :methyl -162:sc= -1.04 (180deg=-1.79) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.093 K(o=-0.093,f=-1.2!) USER MOD Single : A 77 SER OG : rot 73:sc= 0.572 USER MOD Single : A 78 ASN : amide:sc= -7.25! C(o=-7.2!,f=-13!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 30:sc= -0.0105 USER MOD Single : A 85 LYS NZ :NH3+ -163:sc= -0.0311 (180deg=-0.327) USER MOD Single : A 87 THR OG1 : rot -85:sc= 0.209 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -156:sc= -0.132 (180deg=-0.708) USER MOD Single : A 114 MET CE :methyl -123:sc= -1.16 (180deg=-5.02!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.288 27.829 -5.780 1.00 0.00 N ATOM 2 CA GLY A 1 7.489 27.115 -4.801 1.00 0.00 C ATOM 3 C GLY A 1 6.002 27.257 -5.051 1.00 0.00 C ATOM 4 O GLY A 1 5.586 27.861 -6.040 1.00 0.00 O ATOM 0 H1 GLY A 1 8.867 27.152 -6.316 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.661 28.341 -6.433 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.909 28.507 -5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.758 26.059 -4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.724 27.488 -3.804 1.00 0.00 H new ATOM 8 N SER A 2 5.196 26.698 -4.155 1.00 0.00 N ATOM 9 CA SER A 2 3.745 26.762 -4.285 1.00 0.00 C ATOM 10 C SER A 2 3.084 26.947 -2.922 1.00 0.00 C ATOM 11 O SER A 2 3.693 26.688 -1.885 1.00 0.00 O ATOM 12 CB SER A 2 3.216 25.490 -4.952 1.00 0.00 C ATOM 13 OG SER A 2 3.654 25.400 -6.297 1.00 0.00 O ATOM 0 H SER A 2 5.523 26.195 -3.330 1.00 0.00 H new ATOM 0 HA SER A 2 3.498 27.622 -4.908 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.556 24.616 -4.396 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.126 25.485 -4.920 1.00 0.00 H new ATOM 0 HG SER A 2 3.304 24.578 -6.701 1.00 0.00 H new ATOM 19 N SER A 3 1.833 27.397 -2.935 1.00 0.00 N ATOM 20 CA SER A 3 1.089 27.621 -1.701 1.00 0.00 C ATOM 21 C SER A 3 1.398 26.535 -0.675 1.00 0.00 C ATOM 22 O SER A 3 1.561 26.814 0.512 1.00 0.00 O ATOM 23 CB SER A 3 -0.413 27.657 -1.986 1.00 0.00 C ATOM 24 OG SER A 3 -1.110 28.350 -0.964 1.00 0.00 O ATOM 0 H SER A 3 1.314 27.613 -3.786 1.00 0.00 H new ATOM 0 HA SER A 3 1.397 28.582 -1.290 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.593 28.141 -2.946 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.796 26.640 -2.066 1.00 0.00 H new ATOM 0 HG SER A 3 -2.068 28.360 -1.171 1.00 0.00 H new ATOM 30 N GLY A 4 1.477 25.293 -1.143 1.00 0.00 N ATOM 31 CA GLY A 4 1.766 24.182 -0.256 1.00 0.00 C ATOM 32 C GLY A 4 0.619 23.194 -0.171 1.00 0.00 C ATOM 33 O GLY A 4 -0.545 23.588 -0.103 1.00 0.00 O ATOM 0 H GLY A 4 1.346 25.037 -2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.661 23.666 -0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.986 24.565 0.741 1.00 0.00 H new ATOM 37 N SER A 5 0.948 21.906 -0.178 1.00 0.00 N ATOM 38 CA SER A 5 -0.064 20.858 -0.107 1.00 0.00 C ATOM 39 C SER A 5 0.174 19.953 1.097 1.00 0.00 C ATOM 40 O SER A 5 0.968 19.014 1.036 1.00 0.00 O ATOM 41 CB SER A 5 -0.059 20.028 -1.392 1.00 0.00 C ATOM 42 OG SER A 5 1.214 19.448 -1.619 1.00 0.00 O ATOM 0 H SER A 5 1.907 21.563 -0.232 1.00 0.00 H new ATOM 0 HA SER A 5 -1.038 21.335 0.006 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.813 19.244 -1.325 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.330 20.660 -2.238 1.00 0.00 H new ATOM 0 HG SER A 5 1.534 19.028 -0.793 1.00 0.00 H new ATOM 48 N SER A 6 -0.519 20.243 2.194 1.00 0.00 N ATOM 49 CA SER A 6 -0.381 19.459 3.416 1.00 0.00 C ATOM 50 C SER A 6 -1.589 18.548 3.616 1.00 0.00 C ATOM 51 O SER A 6 -1.445 17.349 3.846 1.00 0.00 O ATOM 52 CB SER A 6 -0.218 20.383 4.624 1.00 0.00 C ATOM 53 OG SER A 6 -1.184 21.419 4.607 1.00 0.00 O ATOM 0 H SER A 6 -1.182 21.015 2.261 1.00 0.00 H new ATOM 0 HA SER A 6 0.509 18.837 3.321 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.316 19.806 5.543 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.783 20.815 4.623 1.00 0.00 H new ATOM 0 HG SER A 6 -1.060 21.995 5.390 1.00 0.00 H new ATOM 59 N GLY A 7 -2.781 19.130 3.527 1.00 0.00 N ATOM 60 CA GLY A 7 -3.998 18.358 3.701 1.00 0.00 C ATOM 61 C GLY A 7 -3.921 16.997 3.037 1.00 0.00 C ATOM 62 O GLY A 7 -4.289 15.985 3.635 1.00 0.00 O ATOM 0 H GLY A 7 -2.926 20.122 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.194 18.229 4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.839 18.914 3.287 1.00 0.00 H new ATOM 66 N PHE A 8 -3.443 16.971 1.798 1.00 0.00 N ATOM 67 CA PHE A 8 -3.321 15.725 1.051 1.00 0.00 C ATOM 68 C PHE A 8 -2.417 14.737 1.784 1.00 0.00 C ATOM 69 O PHE A 8 -2.670 13.532 1.789 1.00 0.00 O ATOM 70 CB PHE A 8 -2.769 15.996 -0.349 1.00 0.00 C ATOM 71 CG PHE A 8 -2.505 14.748 -1.142 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.553 14.006 -1.661 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.207 14.318 -1.369 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.312 12.857 -2.389 1.00 0.00 C ATOM 75 CE2 PHE A 8 -0.960 13.169 -2.098 1.00 0.00 C ATOM 76 CZ PHE A 8 -2.015 12.438 -2.609 1.00 0.00 C ATOM 0 H PHE A 8 -3.133 17.799 1.289 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.315 15.285 0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.476 16.621 -0.895 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.843 16.564 -0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.570 14.329 -1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.379 14.887 -0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.138 12.286 -2.786 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.056 12.844 -2.268 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.826 11.541 -3.179 1.00 0.00 H new ATOM 86 N LEU A 9 -1.362 15.257 2.402 1.00 0.00 N ATOM 87 CA LEU A 9 -0.418 14.423 3.138 1.00 0.00 C ATOM 88 C LEU A 9 -1.105 13.730 4.311 1.00 0.00 C ATOM 89 O LEU A 9 -0.907 12.537 4.542 1.00 0.00 O ATOM 90 CB LEU A 9 0.753 15.267 3.643 1.00 0.00 C ATOM 91 CG LEU A 9 1.479 16.106 2.591 1.00 0.00 C ATOM 92 CD1 LEU A 9 2.646 16.853 3.217 1.00 0.00 C ATOM 93 CD2 LEU A 9 1.959 15.226 1.446 1.00 0.00 C ATOM 0 H LEU A 9 -1.139 16.252 2.408 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.039 13.659 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.384 15.936 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.478 14.602 4.112 1.00 0.00 H new ATOM 0 HG LEU A 9 0.778 16.839 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.151 17.445 2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.277 17.513 4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.348 16.138 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.473 15.840 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.644 14.470 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.104 14.737 0.980 1.00 0.00 H new ATOM 105 N ILE A 10 -1.913 14.486 5.047 1.00 0.00 N ATOM 106 CA ILE A 10 -2.630 13.943 6.194 1.00 0.00 C ATOM 107 C ILE A 10 -3.572 12.821 5.773 1.00 0.00 C ATOM 108 O ILE A 10 -3.569 11.739 6.362 1.00 0.00 O ATOM 109 CB ILE A 10 -3.442 15.035 6.917 1.00 0.00 C ATOM 110 CG1 ILE A 10 -2.506 16.098 7.496 1.00 0.00 C ATOM 111 CG2 ILE A 10 -4.297 14.419 8.015 1.00 0.00 C ATOM 112 CD1 ILE A 10 -2.146 17.186 6.510 1.00 0.00 C ATOM 0 H ILE A 10 -2.087 15.475 4.870 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.879 13.546 6.877 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.103 15.515 6.195 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.978 16.551 8.368 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.592 15.616 7.843 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.865 15.203 8.517 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.985 13.696 7.578 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.654 13.917 8.738 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.480 17.905 6.988 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.645 16.745 5.648 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.053 17.694 6.182 1.00 0.00 H new ATOM 124 N LEU A 11 -4.375 13.084 4.748 1.00 0.00 N ATOM 125 CA LEU A 11 -5.322 12.093 4.245 1.00 0.00 C ATOM 126 C LEU A 11 -4.630 10.757 3.994 1.00 0.00 C ATOM 127 O LEU A 11 -5.159 9.699 4.339 1.00 0.00 O ATOM 128 CB LEU A 11 -5.975 12.593 2.954 1.00 0.00 C ATOM 129 CG LEU A 11 -6.687 11.536 2.110 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.894 10.984 2.852 1.00 0.00 C ATOM 131 CD2 LEU A 11 -7.104 12.118 0.767 1.00 0.00 C ATOM 0 H LEU A 11 -4.390 13.973 4.249 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.093 11.945 5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.695 13.369 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.207 13.063 2.340 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.992 10.716 1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.388 10.233 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.569 10.529 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.591 11.794 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.609 11.352 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.781 12.957 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.221 12.463 0.230 1.00 0.00 H new ATOM 143 N LEU A 12 -3.447 10.813 3.395 1.00 0.00 N ATOM 144 CA LEU A 12 -2.681 9.606 3.100 1.00 0.00 C ATOM 145 C LEU A 12 -2.264 8.899 4.386 1.00 0.00 C ATOM 146 O LEU A 12 -2.552 7.717 4.577 1.00 0.00 O ATOM 147 CB LEU A 12 -1.443 9.954 2.271 1.00 0.00 C ATOM 148 CG LEU A 12 -1.705 10.633 0.926 1.00 0.00 C ATOM 149 CD1 LEU A 12 -0.410 11.169 0.337 1.00 0.00 C ATOM 150 CD2 LEU A 12 -2.371 9.664 -0.040 1.00 0.00 C ATOM 0 H LEU A 12 -2.996 11.680 3.104 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.317 8.932 2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.803 10.606 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.882 9.037 2.089 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.380 11.473 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.617 11.649 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.027 11.897 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.289 10.347 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.550 10.164 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.721 8.804 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.320 9.329 0.378 1.00 0.00 H new ATOM 162 N ARG A 13 -1.585 9.629 5.264 1.00 0.00 N ATOM 163 CA ARG A 13 -1.128 9.072 6.531 1.00 0.00 C ATOM 164 C ARG A 13 -2.274 8.382 7.265 1.00 0.00 C ATOM 165 O ARG A 13 -2.098 7.314 7.852 1.00 0.00 O ATOM 166 CB ARG A 13 -0.534 10.172 7.412 1.00 0.00 C ATOM 167 CG ARG A 13 0.724 10.801 6.836 1.00 0.00 C ATOM 168 CD ARG A 13 0.899 12.235 7.312 1.00 0.00 C ATOM 169 NE ARG A 13 1.634 12.307 8.571 1.00 0.00 N ATOM 170 CZ ARG A 13 2.032 13.447 9.126 1.00 0.00 C ATOM 171 NH1 ARG A 13 1.766 14.603 8.534 1.00 0.00 N ATOM 172 NH2 ARG A 13 2.696 13.431 10.274 1.00 0.00 N ATOM 0 H ARG A 13 -1.339 10.609 5.121 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.357 8.332 6.317 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.283 10.950 7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.305 9.756 8.393 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.593 10.211 7.128 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.676 10.781 5.747 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.428 12.808 6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.080 12.698 7.437 1.00 0.00 H new ATOM 0 HE ARG A 13 1.854 11.434 9.051 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.255 14.618 7.651 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.072 15.477 8.961 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.902 12.543 10.732 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.001 14.307 10.699 1.00 0.00 H new ATOM 186 N LYS A 14 -3.451 8.999 7.229 1.00 0.00 N ATOM 187 CA LYS A 14 -4.627 8.445 7.889 1.00 0.00 C ATOM 188 C LYS A 14 -5.120 7.197 7.165 1.00 0.00 C ATOM 189 O LYS A 14 -5.551 6.231 7.795 1.00 0.00 O ATOM 190 CB LYS A 14 -5.745 9.490 7.945 1.00 0.00 C ATOM 191 CG LYS A 14 -7.105 8.908 8.289 1.00 0.00 C ATOM 192 CD LYS A 14 -7.848 8.453 7.044 1.00 0.00 C ATOM 193 CE LYS A 14 -8.624 9.598 6.409 1.00 0.00 C ATOM 194 NZ LYS A 14 -9.181 9.220 5.081 1.00 0.00 N ATOM 0 H LYS A 14 -3.615 9.884 6.749 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.346 8.167 8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.486 10.248 8.684 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.808 9.994 6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.980 8.064 8.968 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.699 9.655 8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.138 8.049 6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.534 7.646 7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.436 9.898 7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.969 10.462 6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.688 10.031 4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.406 8.942 4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.839 8.423 5.195 1.00 0.00 H new ATOM 208 N THR A 15 -5.053 7.222 5.837 1.00 0.00 N ATOM 209 CA THR A 15 -5.492 6.092 5.028 1.00 0.00 C ATOM 210 C THR A 15 -4.612 4.871 5.266 1.00 0.00 C ATOM 211 O THR A 15 -5.101 3.805 5.641 1.00 0.00 O ATOM 212 CB THR A 15 -5.478 6.438 3.527 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.495 7.402 3.236 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.697 5.191 2.682 1.00 0.00 C ATOM 0 H THR A 15 -4.699 8.013 5.299 1.00 0.00 H new ATOM 0 HA THR A 15 -6.514 5.863 5.331 1.00 0.00 H new ATOM 0 HB THR A 15 -4.502 6.857 3.283 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.217 8.281 3.567 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.683 5.460 1.626 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.904 4.471 2.883 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.661 4.748 2.931 1.00 0.00 H new ATOM 222 N LEU A 16 -3.312 5.033 5.046 1.00 0.00 N ATOM 223 CA LEU A 16 -2.362 3.941 5.237 1.00 0.00 C ATOM 224 C LEU A 16 -2.709 3.130 6.482 1.00 0.00 C ATOM 225 O LEU A 16 -2.715 1.900 6.449 1.00 0.00 O ATOM 226 CB LEU A 16 -0.940 4.492 5.353 1.00 0.00 C ATOM 227 CG LEU A 16 0.117 3.517 5.870 1.00 0.00 C ATOM 228 CD1 LEU A 16 0.335 2.388 4.875 1.00 0.00 C ATOM 229 CD2 LEU A 16 1.425 4.245 6.148 1.00 0.00 C ATOM 0 H LEU A 16 -2.891 5.909 4.736 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.421 3.284 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.628 4.847 4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.960 5.359 6.014 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.242 3.086 6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.091 1.704 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.600 1.848 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.671 2.801 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.166 3.535 6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.788 4.705 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.259 5.017 6.899 1.00 0.00 H new ATOM 241 N GLU A 17 -2.998 3.829 7.575 1.00 0.00 N ATOM 242 CA GLU A 17 -3.346 3.172 8.830 1.00 0.00 C ATOM 243 C GLU A 17 -4.527 2.225 8.639 1.00 0.00 C ATOM 244 O GLU A 17 -4.471 1.059 9.028 1.00 0.00 O ATOM 245 CB GLU A 17 -3.681 4.213 9.900 1.00 0.00 C ATOM 246 CG GLU A 17 -2.532 5.158 10.211 1.00 0.00 C ATOM 247 CD GLU A 17 -2.896 6.196 11.254 1.00 0.00 C ATOM 248 OE1 GLU A 17 -3.890 6.923 11.047 1.00 0.00 O ATOM 249 OE2 GLU A 17 -2.187 6.281 12.279 1.00 0.00 O ATOM 0 H GLU A 17 -2.998 4.848 7.617 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.485 2.589 9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.541 4.796 9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.976 3.699 10.815 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.677 4.581 10.562 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.223 5.662 9.295 1.00 0.00 H new ATOM 256 N GLN A 18 -5.597 2.737 8.037 1.00 0.00 N ATOM 257 CA GLN A 18 -6.792 1.938 7.795 1.00 0.00 C ATOM 258 C GLN A 18 -6.431 0.593 7.174 1.00 0.00 C ATOM 259 O GLN A 18 -6.935 -0.451 7.591 1.00 0.00 O ATOM 260 CB GLN A 18 -7.759 2.692 6.881 1.00 0.00 C ATOM 261 CG GLN A 18 -8.413 3.893 7.545 1.00 0.00 C ATOM 262 CD GLN A 18 -9.694 4.316 6.855 1.00 0.00 C ATOM 263 OE1 GLN A 18 -10.705 3.615 6.912 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.660 5.469 6.195 1.00 0.00 N ATOM 0 H GLN A 18 -5.660 3.701 7.709 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.277 1.756 8.754 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.221 3.026 5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.536 2.006 6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.628 3.655 8.587 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.713 4.728 7.547 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.801 6.019 6.173 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.493 5.804 5.710 1.00 0.00 H new ATOM 273 N LEU A 19 -5.556 0.624 6.174 1.00 0.00 N ATOM 274 CA LEU A 19 -5.127 -0.594 5.495 1.00 0.00 C ATOM 275 C LEU A 19 -4.508 -1.579 6.481 1.00 0.00 C ATOM 276 O LEU A 19 -4.825 -2.768 6.465 1.00 0.00 O ATOM 277 CB LEU A 19 -4.121 -0.258 4.392 1.00 0.00 C ATOM 278 CG LEU A 19 -4.647 0.604 3.244 1.00 0.00 C ATOM 279 CD1 LEU A 19 -3.502 1.059 2.352 1.00 0.00 C ATOM 280 CD2 LEU A 19 -5.684 -0.160 2.435 1.00 0.00 C ATOM 0 H LEU A 19 -5.130 1.479 5.816 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.005 -1.060 5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.273 0.255 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.744 -1.192 3.975 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.125 1.487 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.894 1.671 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.794 1.645 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.996 0.188 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.047 0.469 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.231 -1.061 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.518 -0.436 3.080 1.00 0.00 H new ATOM 292 N GLN A 20 -3.626 -1.075 7.339 1.00 0.00 N ATOM 293 CA GLN A 20 -2.965 -1.911 8.333 1.00 0.00 C ATOM 294 C GLN A 20 -3.987 -2.678 9.167 1.00 0.00 C ATOM 295 O GLN A 20 -3.804 -3.859 9.455 1.00 0.00 O ATOM 296 CB GLN A 20 -2.084 -1.056 9.245 1.00 0.00 C ATOM 297 CG GLN A 20 -0.910 -0.412 8.526 1.00 0.00 C ATOM 298 CD GLN A 20 0.279 -0.183 9.439 1.00 0.00 C ATOM 299 OE1 GLN A 20 0.504 0.929 9.918 1.00 0.00 O ATOM 300 NE2 GLN A 20 1.048 -1.238 9.685 1.00 0.00 N ATOM 0 H GLN A 20 -3.353 -0.092 7.365 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.339 -2.631 7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.695 -0.275 9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.706 -1.677 10.057 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.607 -1.046 7.693 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.227 0.541 8.102 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.824 -2.141 9.267 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.862 -1.145 10.292 1.00 0.00 H new ATOM 309 N GLU A 21 -5.062 -1.996 9.550 1.00 0.00 N ATOM 310 CA GLU A 21 -6.113 -2.614 10.351 1.00 0.00 C ATOM 311 C GLU A 21 -6.490 -3.982 9.791 1.00 0.00 C ATOM 312 O GLU A 21 -6.675 -4.942 10.539 1.00 0.00 O ATOM 313 CB GLU A 21 -7.346 -1.711 10.398 1.00 0.00 C ATOM 314 CG GLU A 21 -7.089 -0.360 11.045 1.00 0.00 C ATOM 315 CD GLU A 21 -6.986 -0.447 12.555 1.00 0.00 C ATOM 316 OE1 GLU A 21 -7.861 -1.090 13.173 1.00 0.00 O ATOM 317 OE2 GLU A 21 -6.032 0.128 13.119 1.00 0.00 O ATOM 0 H GLU A 21 -5.228 -1.016 9.319 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.732 -2.748 11.363 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.710 -1.554 9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.139 -2.221 10.945 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.166 0.061 10.645 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.893 0.325 10.778 1.00 0.00 H new ATOM 324 N LYS A 22 -6.602 -4.064 8.470 1.00 0.00 N ATOM 325 CA LYS A 22 -6.958 -5.313 7.808 1.00 0.00 C ATOM 326 C LYS A 22 -5.904 -6.385 8.068 1.00 0.00 C ATOM 327 O LYS A 22 -6.233 -7.544 8.317 1.00 0.00 O ATOM 328 CB LYS A 22 -7.113 -5.090 6.302 1.00 0.00 C ATOM 329 CG LYS A 22 -8.170 -4.059 5.946 1.00 0.00 C ATOM 330 CD LYS A 22 -9.487 -4.345 6.649 1.00 0.00 C ATOM 331 CE LYS A 22 -10.559 -3.341 6.255 1.00 0.00 C ATOM 332 NZ LYS A 22 -11.918 -3.790 6.667 1.00 0.00 N ATOM 0 H LYS A 22 -6.451 -3.279 7.836 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.908 -5.655 8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.155 -4.773 5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.367 -6.038 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.818 -3.065 6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.326 -4.054 4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.822 -5.352 6.401 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.338 -4.315 7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.340 -2.377 6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.538 -3.192 5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.634 -3.181 6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.065 -4.774 6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.005 -3.729 7.702 1.00 0.00 H new ATOM 346 N ASP A 23 -4.637 -5.989 8.008 1.00 0.00 N ATOM 347 CA ASP A 23 -3.534 -6.916 8.239 1.00 0.00 C ATOM 348 C ASP A 23 -3.344 -7.171 9.732 1.00 0.00 C ATOM 349 O ASP A 23 -2.603 -6.455 10.406 1.00 0.00 O ATOM 350 CB ASP A 23 -2.243 -6.365 7.635 1.00 0.00 C ATOM 351 CG ASP A 23 -1.120 -7.384 7.642 1.00 0.00 C ATOM 352 OD1 ASP A 23 -1.418 -8.595 7.696 1.00 0.00 O ATOM 353 OD2 ASP A 23 0.058 -6.970 7.595 1.00 0.00 O ATOM 0 H ASP A 23 -4.348 -5.033 7.801 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.778 -7.862 7.755 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.432 -6.044 6.611 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.932 -5.482 8.193 1.00 0.00 H new ATOM 358 N THR A 24 -4.018 -8.197 10.242 1.00 0.00 N ATOM 359 CA THR A 24 -3.925 -8.547 11.654 1.00 0.00 C ATOM 360 C THR A 24 -2.690 -9.396 11.929 1.00 0.00 C ATOM 361 O THR A 24 -2.213 -9.466 13.061 1.00 0.00 O ATOM 362 CB THR A 24 -5.176 -9.311 12.127 1.00 0.00 C ATOM 363 OG1 THR A 24 -5.253 -10.579 11.468 1.00 0.00 O ATOM 364 CG2 THR A 24 -6.438 -8.510 11.845 1.00 0.00 C ATOM 0 H THR A 24 -4.635 -8.800 9.698 1.00 0.00 H new ATOM 0 HA THR A 24 -3.850 -7.611 12.208 1.00 0.00 H new ATOM 0 HB THR A 24 -5.096 -9.465 13.203 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.050 -11.059 11.775 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.308 -9.070 12.188 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.389 -7.557 12.371 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.522 -8.329 10.773 1.00 0.00 H new ATOM 372 N GLY A 25 -2.177 -10.042 10.887 1.00 0.00 N ATOM 373 CA GLY A 25 -1.000 -10.879 11.038 1.00 0.00 C ATOM 374 C GLY A 25 0.290 -10.100 10.875 1.00 0.00 C ATOM 375 O GLY A 25 1.359 -10.568 11.264 1.00 0.00 O ATOM 0 H GLY A 25 -2.555 -10.001 9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.016 -11.348 12.022 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.032 -11.682 10.301 1.00 0.00 H new ATOM 379 N ASN A 26 0.191 -8.908 10.295 1.00 0.00 N ATOM 380 CA ASN A 26 1.360 -8.063 10.079 1.00 0.00 C ATOM 381 C ASN A 26 2.369 -8.754 9.166 1.00 0.00 C ATOM 382 O ASN A 26 3.579 -8.646 9.367 1.00 0.00 O ATOM 383 CB ASN A 26 2.019 -7.716 11.415 1.00 0.00 C ATOM 384 CG ASN A 26 1.006 -7.547 12.531 1.00 0.00 C ATOM 385 OD1 ASN A 26 -0.065 -6.973 12.332 1.00 0.00 O ATOM 386 ND2 ASN A 26 1.342 -8.046 13.715 1.00 0.00 N ATOM 0 H ASN A 26 -0.687 -8.506 9.966 1.00 0.00 H new ATOM 0 HA ASN A 26 1.028 -7.144 9.596 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.725 -8.502 11.684 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.593 -6.796 11.306 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.702 -7.961 14.504 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.240 -8.514 13.835 1.00 0.00 H new ATOM 393 N ILE A 27 1.862 -9.464 8.163 1.00 0.00 N ATOM 394 CA ILE A 27 2.718 -10.171 7.219 1.00 0.00 C ATOM 395 C ILE A 27 3.402 -9.200 6.263 1.00 0.00 C ATOM 396 O ILE A 27 4.528 -9.434 5.824 1.00 0.00 O ATOM 397 CB ILE A 27 1.921 -11.204 6.401 1.00 0.00 C ATOM 398 CG1 ILE A 27 1.147 -12.137 7.333 1.00 0.00 C ATOM 399 CG2 ILE A 27 2.855 -12.000 5.501 1.00 0.00 C ATOM 400 CD1 ILE A 27 0.341 -13.188 6.602 1.00 0.00 C ATOM 0 H ILE A 27 0.863 -9.565 7.984 1.00 0.00 H new ATOM 0 HA ILE A 27 3.474 -10.691 7.807 1.00 0.00 H new ATOM 0 HB ILE A 27 1.205 -10.675 5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.849 -12.631 8.005 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.476 -11.543 7.954 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.278 -12.726 4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.366 -11.323 4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.591 -12.522 6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.182 -13.814 7.325 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.385 -12.702 5.951 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.009 -13.807 6.002 1.00 0.00 H new ATOM 412 N PHE A 28 2.715 -8.108 5.946 1.00 0.00 N ATOM 413 CA PHE A 28 3.256 -7.099 5.042 1.00 0.00 C ATOM 414 C PHE A 28 3.732 -5.873 5.817 1.00 0.00 C ATOM 415 O PHE A 28 4.432 -5.017 5.277 1.00 0.00 O ATOM 416 CB PHE A 28 2.201 -6.687 4.013 1.00 0.00 C ATOM 417 CG PHE A 28 1.393 -7.840 3.489 1.00 0.00 C ATOM 418 CD1 PHE A 28 0.325 -8.341 4.216 1.00 0.00 C ATOM 419 CD2 PHE A 28 1.701 -8.421 2.270 1.00 0.00 C ATOM 420 CE1 PHE A 28 -0.419 -9.403 3.735 1.00 0.00 C ATOM 421 CE2 PHE A 28 0.959 -9.482 1.784 1.00 0.00 C ATOM 422 CZ PHE A 28 -0.103 -9.972 2.518 1.00 0.00 C ATOM 0 H PHE A 28 1.782 -7.899 6.302 1.00 0.00 H new ATOM 0 HA PHE A 28 4.110 -7.533 4.523 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.529 -5.958 4.466 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.694 -6.190 3.178 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.071 -7.898 5.168 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.530 -8.041 1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.247 -9.787 4.312 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.210 -9.927 0.832 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.685 -10.799 2.140 1.00 0.00 H new ATOM 432 N SER A 29 3.346 -5.798 7.087 1.00 0.00 N ATOM 433 CA SER A 29 3.730 -4.676 7.936 1.00 0.00 C ATOM 434 C SER A 29 5.235 -4.433 7.870 1.00 0.00 C ATOM 435 O SER A 29 5.701 -3.307 8.039 1.00 0.00 O ATOM 436 CB SER A 29 3.307 -4.935 9.383 1.00 0.00 C ATOM 437 OG SER A 29 3.052 -3.722 10.066 1.00 0.00 O ATOM 0 H SER A 29 2.769 -6.500 7.550 1.00 0.00 H new ATOM 0 HA SER A 29 3.220 -3.785 7.570 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.413 -5.558 9.397 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.090 -5.489 9.900 1.00 0.00 H new ATOM 0 HG SER A 29 2.782 -3.916 10.988 1.00 0.00 H new ATOM 443 N GLU A 30 5.989 -5.499 7.622 1.00 0.00 N ATOM 444 CA GLU A 30 7.441 -5.403 7.534 1.00 0.00 C ATOM 445 C GLU A 30 7.944 -5.956 6.203 1.00 0.00 C ATOM 446 O GLU A 30 7.327 -6.827 5.591 1.00 0.00 O ATOM 447 CB GLU A 30 8.096 -6.159 8.692 1.00 0.00 C ATOM 448 CG GLU A 30 7.400 -5.950 10.026 1.00 0.00 C ATOM 449 CD GLU A 30 8.239 -6.413 11.201 1.00 0.00 C ATOM 450 OE1 GLU A 30 9.479 -6.276 11.137 1.00 0.00 O ATOM 451 OE2 GLU A 30 7.655 -6.914 12.186 1.00 0.00 O ATOM 0 H GLU A 30 5.619 -6.438 7.479 1.00 0.00 H new ATOM 0 HA GLU A 30 7.713 -4.349 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.106 -7.224 8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.135 -5.842 8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.165 -4.893 10.147 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.453 -6.489 10.026 1.00 0.00 H new ATOM 458 N PRO A 31 9.092 -5.436 5.742 1.00 0.00 N ATOM 459 CA PRO A 31 9.703 -5.861 4.479 1.00 0.00 C ATOM 460 C PRO A 31 10.260 -7.279 4.554 1.00 0.00 C ATOM 461 O PRO A 31 10.894 -7.656 5.540 1.00 0.00 O ATOM 462 CB PRO A 31 10.835 -4.851 4.276 1.00 0.00 C ATOM 463 CG PRO A 31 11.172 -4.378 5.648 1.00 0.00 C ATOM 464 CD PRO A 31 9.882 -4.394 6.419 1.00 0.00 C ATOM 0 HA PRO A 31 8.981 -5.882 3.663 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.696 -5.314 3.794 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.519 -4.025 3.639 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.913 -5.027 6.114 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.599 -3.375 5.621 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.045 -4.633 7.470 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.382 -3.426 6.386 1.00 0.00 H new ATOM 472 N VAL A 32 10.021 -8.060 3.506 1.00 0.00 N ATOM 473 CA VAL A 32 10.500 -9.436 3.452 1.00 0.00 C ATOM 474 C VAL A 32 12.023 -9.488 3.491 1.00 0.00 C ATOM 475 O VAL A 32 12.713 -8.794 2.745 1.00 0.00 O ATOM 476 CB VAL A 32 10.004 -10.154 2.182 1.00 0.00 C ATOM 477 CG1 VAL A 32 10.629 -11.536 2.072 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.486 -10.242 2.179 1.00 0.00 C ATOM 0 H VAL A 32 9.498 -7.763 2.682 1.00 0.00 H new ATOM 0 HA VAL A 32 10.099 -9.946 4.328 1.00 0.00 H new ATOM 0 HB VAL A 32 10.312 -9.573 1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.267 -12.028 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.714 -11.442 2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.355 -12.130 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.153 -10.752 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.152 -10.800 3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.063 -9.238 2.206 1.00 0.00 H new ATOM 488 N PRO A 33 12.563 -10.333 4.381 1.00 0.00 N ATOM 489 CA PRO A 33 14.011 -10.499 4.539 1.00 0.00 C ATOM 490 C PRO A 33 14.648 -11.198 3.342 1.00 0.00 C ATOM 491 O PRO A 33 14.067 -12.119 2.767 1.00 0.00 O ATOM 492 CB PRO A 33 14.135 -11.367 5.793 1.00 0.00 C ATOM 493 CG PRO A 33 12.848 -12.115 5.864 1.00 0.00 C ATOM 494 CD PRO A 33 11.802 -11.193 5.303 1.00 0.00 C ATOM 0 HA PRO A 33 14.525 -9.541 4.616 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.984 -12.046 5.722 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.288 -10.757 6.683 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.902 -13.040 5.289 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.614 -12.392 6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.018 -11.744 4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.317 -10.611 6.087 1.00 0.00 H new ATOM 502 N LEU A 34 15.845 -10.757 2.973 1.00 0.00 N ATOM 503 CA LEU A 34 16.562 -11.340 1.846 1.00 0.00 C ATOM 504 C LEU A 34 17.344 -12.576 2.278 1.00 0.00 C ATOM 505 O LEU A 34 17.591 -13.478 1.478 1.00 0.00 O ATOM 506 CB LEU A 34 17.512 -10.310 1.231 1.00 0.00 C ATOM 507 CG LEU A 34 16.853 -9.131 0.515 1.00 0.00 C ATOM 508 CD1 LEU A 34 17.904 -8.237 -0.123 1.00 0.00 C ATOM 509 CD2 LEU A 34 15.865 -9.627 -0.530 1.00 0.00 C ATOM 0 H LEU A 34 16.340 -9.996 3.439 1.00 0.00 H new ATOM 0 HA LEU A 34 15.829 -11.640 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.151 -9.917 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.161 -10.823 0.522 1.00 0.00 H new ATOM 0 HG LEU A 34 16.307 -8.543 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.415 -7.404 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.572 -7.853 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.480 -8.813 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.405 -8.774 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.389 -10.239 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.092 -10.224 -0.046 1.00 0.00 H new ATOM 521 N SER A 35 17.730 -12.611 3.550 1.00 0.00 N ATOM 522 CA SER A 35 18.485 -13.735 4.088 1.00 0.00 C ATOM 523 C SER A 35 17.780 -15.056 3.791 1.00 0.00 C ATOM 524 O SER A 35 18.426 -16.063 3.505 1.00 0.00 O ATOM 525 CB SER A 35 18.675 -13.574 5.598 1.00 0.00 C ATOM 526 OG SER A 35 19.738 -14.382 6.069 1.00 0.00 O ATOM 0 H SER A 35 17.532 -11.874 4.226 1.00 0.00 H new ATOM 0 HA SER A 35 19.462 -13.748 3.605 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.878 -12.529 5.832 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.753 -13.844 6.114 1.00 0.00 H new ATOM 0 HG SER A 35 19.839 -14.259 7.036 1.00 0.00 H new ATOM 532 N GLU A 36 16.454 -15.040 3.864 1.00 0.00 N ATOM 533 CA GLU A 36 15.661 -16.236 3.604 1.00 0.00 C ATOM 534 C GLU A 36 15.257 -16.312 2.134 1.00 0.00 C ATOM 535 O GLU A 36 15.022 -17.395 1.599 1.00 0.00 O ATOM 536 CB GLU A 36 14.412 -16.250 4.489 1.00 0.00 C ATOM 537 CG GLU A 36 13.683 -17.583 4.490 1.00 0.00 C ATOM 538 CD GLU A 36 12.917 -17.827 5.775 1.00 0.00 C ATOM 539 OE1 GLU A 36 13.477 -17.557 6.859 1.00 0.00 O ATOM 540 OE2 GLU A 36 11.760 -18.289 5.700 1.00 0.00 O ATOM 0 H GLU A 36 15.906 -14.213 4.101 1.00 0.00 H new ATOM 0 HA GLU A 36 16.274 -17.106 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.698 -16.001 5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.728 -15.472 4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.992 -17.616 3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.404 -18.387 4.343 1.00 0.00 H new ATOM 547 N VAL A 37 15.178 -15.153 1.488 1.00 0.00 N ATOM 548 CA VAL A 37 14.802 -15.087 0.080 1.00 0.00 C ATOM 549 C VAL A 37 15.880 -14.391 -0.743 1.00 0.00 C ATOM 550 O VAL A 37 15.815 -13.189 -1.006 1.00 0.00 O ATOM 551 CB VAL A 37 13.466 -14.346 -0.110 1.00 0.00 C ATOM 552 CG1 VAL A 37 12.793 -14.782 -1.404 1.00 0.00 C ATOM 553 CG2 VAL A 37 12.551 -14.582 1.082 1.00 0.00 C ATOM 0 H VAL A 37 15.369 -14.247 1.917 1.00 0.00 H new ATOM 0 HA VAL A 37 14.690 -16.114 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 37 13.670 -13.277 -0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.850 -14.248 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.446 -14.556 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.601 -15.854 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.611 -14.051 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.352 -15.649 1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.033 -14.216 1.989 1.00 0.00 H new ATOM 563 N PRO A 38 16.895 -15.160 -1.162 1.00 0.00 N ATOM 564 CA PRO A 38 18.006 -14.638 -1.964 1.00 0.00 C ATOM 565 C PRO A 38 17.576 -14.266 -3.379 1.00 0.00 C ATOM 566 O PRO A 38 18.232 -13.468 -4.048 1.00 0.00 O ATOM 567 CB PRO A 38 18.998 -15.803 -1.995 1.00 0.00 C ATOM 568 CG PRO A 38 18.162 -17.018 -1.790 1.00 0.00 C ATOM 569 CD PRO A 38 17.036 -16.600 -0.886 1.00 0.00 C ATOM 0 HA PRO A 38 18.417 -13.721 -1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.530 -15.844 -2.945 1.00 0.00 H new ATOM 0 HB3 PRO A 38 19.750 -15.703 -1.212 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.781 -17.394 -2.740 1.00 0.00 H new ATOM 0 HG3 PRO A 38 18.745 -17.821 -1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.118 -17.144 -1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.271 -16.787 0.162 1.00 0.00 H new ATOM 577 N ASP A 39 16.469 -14.849 -3.827 1.00 0.00 N ATOM 578 CA ASP A 39 15.950 -14.577 -5.163 1.00 0.00 C ATOM 579 C ASP A 39 14.666 -13.757 -5.090 1.00 0.00 C ATOM 580 O ASP A 39 13.823 -13.824 -5.985 1.00 0.00 O ATOM 581 CB ASP A 39 15.692 -15.887 -5.909 1.00 0.00 C ATOM 582 CG ASP A 39 16.965 -16.500 -6.459 1.00 0.00 C ATOM 583 OD1 ASP A 39 17.408 -16.072 -7.545 1.00 0.00 O ATOM 584 OD2 ASP A 39 17.517 -17.409 -5.803 1.00 0.00 O ATOM 0 H ASP A 39 15.914 -15.512 -3.286 1.00 0.00 H new ATOM 0 HA ASP A 39 16.698 -14.000 -5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.212 -16.597 -5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.997 -15.704 -6.728 1.00 0.00 H new ATOM 589 N TYR A 40 14.523 -12.984 -4.019 1.00 0.00 N ATOM 590 CA TYR A 40 13.340 -12.154 -3.827 1.00 0.00 C ATOM 591 C TYR A 40 13.125 -11.228 -5.021 1.00 0.00 C ATOM 592 O TYR A 40 12.107 -11.307 -5.709 1.00 0.00 O ATOM 593 CB TYR A 40 13.471 -11.330 -2.545 1.00 0.00 C ATOM 594 CG TYR A 40 12.297 -10.410 -2.294 1.00 0.00 C ATOM 595 CD1 TYR A 40 10.993 -10.882 -2.362 1.00 0.00 C ATOM 596 CD2 TYR A 40 12.494 -9.070 -1.987 1.00 0.00 C ATOM 597 CE1 TYR A 40 9.918 -10.045 -2.133 1.00 0.00 C ATOM 598 CE2 TYR A 40 11.425 -8.225 -1.755 1.00 0.00 C ATOM 599 CZ TYR A 40 10.139 -8.718 -1.831 1.00 0.00 C ATOM 600 OH TYR A 40 9.071 -7.882 -1.601 1.00 0.00 O ATOM 0 H TYR A 40 15.212 -12.915 -3.270 1.00 0.00 H new ATOM 0 HA TYR A 40 12.476 -12.812 -3.740 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.579 -12.007 -1.697 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.383 -10.736 -2.597 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.816 -11.921 -2.598 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.500 -8.681 -1.929 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.910 -10.428 -2.190 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.596 -7.186 -1.516 1.00 0.00 H new ATOM 0 HH TYR A 40 9.399 -6.980 -1.401 1.00 0.00 H new ATOM 610 N LEU A 41 14.093 -10.350 -5.261 1.00 0.00 N ATOM 611 CA LEU A 41 14.013 -9.408 -6.372 1.00 0.00 C ATOM 612 C LEU A 41 13.994 -10.142 -7.709 1.00 0.00 C ATOM 613 O LEU A 41 13.305 -9.734 -8.643 1.00 0.00 O ATOM 614 CB LEU A 41 15.192 -8.435 -6.328 1.00 0.00 C ATOM 615 CG LEU A 41 15.403 -7.696 -5.006 1.00 0.00 C ATOM 616 CD1 LEU A 41 16.713 -6.923 -5.030 1.00 0.00 C ATOM 617 CD2 LEU A 41 14.235 -6.762 -4.725 1.00 0.00 C ATOM 0 H LEU A 41 14.942 -10.271 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 41 13.084 -8.847 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.102 -8.987 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.057 -7.695 -7.117 1.00 0.00 H new ATOM 0 HG LEU A 41 15.454 -8.432 -4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.846 -6.403 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.541 -7.615 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.692 -6.196 -5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.402 -6.244 -3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.152 -6.031 -5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.313 -7.340 -4.664 1.00 0.00 H new ATOM 629 N ASP A 42 14.754 -11.229 -7.792 1.00 0.00 N ATOM 630 CA ASP A 42 14.823 -12.022 -9.013 1.00 0.00 C ATOM 631 C ASP A 42 13.436 -12.201 -9.624 1.00 0.00 C ATOM 632 O ASP A 42 13.301 -12.442 -10.824 1.00 0.00 O ATOM 633 CB ASP A 42 15.447 -13.388 -8.724 1.00 0.00 C ATOM 634 CG ASP A 42 16.961 -13.358 -8.784 1.00 0.00 C ATOM 635 OD1 ASP A 42 17.509 -13.253 -9.902 1.00 0.00 O ATOM 636 OD2 ASP A 42 17.600 -13.440 -7.714 1.00 0.00 O ATOM 0 H ASP A 42 15.331 -11.581 -7.028 1.00 0.00 H new ATOM 0 HA ASP A 42 15.449 -11.489 -9.729 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.132 -13.726 -7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.072 -14.115 -9.445 1.00 0.00 H new ATOM 641 N HIS A 43 12.408 -12.082 -8.789 1.00 0.00 N ATOM 642 CA HIS A 43 11.031 -12.231 -9.247 1.00 0.00 C ATOM 643 C HIS A 43 10.261 -10.924 -9.088 1.00 0.00 C ATOM 644 O HIS A 43 9.287 -10.676 -9.799 1.00 0.00 O ATOM 645 CB HIS A 43 10.331 -13.347 -8.470 1.00 0.00 C ATOM 646 CG HIS A 43 10.658 -14.721 -8.970 1.00 0.00 C ATOM 647 ND1 HIS A 43 9.899 -15.377 -9.915 1.00 0.00 N ATOM 648 CD2 HIS A 43 11.668 -15.561 -8.649 1.00 0.00 C ATOM 649 CE1 HIS A 43 10.428 -16.564 -10.155 1.00 0.00 C ATOM 650 NE2 HIS A 43 11.504 -16.700 -9.400 1.00 0.00 N ATOM 0 H HIS A 43 12.502 -11.883 -7.793 1.00 0.00 H new ATOM 0 HA HIS A 43 11.052 -12.493 -10.305 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.609 -13.276 -7.418 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.253 -13.196 -8.525 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.456 -15.372 -7.936 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.046 -17.298 -10.850 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.114 -17.517 -9.378 1.00 0.00 H new ATOM 659 N ILE A 44 10.705 -10.092 -8.152 1.00 0.00 N ATOM 660 CA ILE A 44 10.057 -8.811 -7.901 1.00 0.00 C ATOM 661 C ILE A 44 10.915 -7.654 -8.402 1.00 0.00 C ATOM 662 O ILE A 44 12.049 -7.470 -7.962 1.00 0.00 O ATOM 663 CB ILE A 44 9.770 -8.609 -6.401 1.00 0.00 C ATOM 664 CG1 ILE A 44 8.810 -9.687 -5.894 1.00 0.00 C ATOM 665 CG2 ILE A 44 9.196 -7.222 -6.153 1.00 0.00 C ATOM 666 CD1 ILE A 44 7.699 -10.013 -6.868 1.00 0.00 C ATOM 0 H ILE A 44 11.510 -10.282 -7.555 1.00 0.00 H new ATOM 0 HA ILE A 44 9.113 -8.823 -8.445 1.00 0.00 H new ATOM 0 HB ILE A 44 10.708 -8.696 -5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.375 -10.595 -5.683 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.371 -9.358 -4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.999 -7.095 -5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.911 -6.468 -6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.266 -7.108 -6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.057 -10.785 -6.443 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.110 -9.117 -7.061 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.129 -10.373 -7.803 1.00 0.00 H new ATOM 678 N LYS A 45 10.364 -6.875 -9.328 1.00 0.00 N ATOM 679 CA LYS A 45 11.076 -5.733 -9.889 1.00 0.00 C ATOM 680 C LYS A 45 11.005 -4.532 -8.950 1.00 0.00 C ATOM 681 O LYS A 45 11.978 -3.795 -8.793 1.00 0.00 O ATOM 682 CB LYS A 45 10.492 -5.361 -11.254 1.00 0.00 C ATOM 683 CG LYS A 45 10.959 -6.266 -12.381 1.00 0.00 C ATOM 684 CD LYS A 45 12.394 -5.963 -12.781 1.00 0.00 C ATOM 685 CE LYS A 45 12.675 -6.388 -14.214 1.00 0.00 C ATOM 686 NZ LYS A 45 13.987 -5.875 -14.697 1.00 0.00 N ATOM 0 H LYS A 45 9.427 -7.014 -9.705 1.00 0.00 H new ATOM 0 HA LYS A 45 12.122 -6.015 -10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.404 -5.397 -11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.765 -4.332 -11.489 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.879 -7.307 -12.069 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.305 -6.141 -13.244 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.585 -4.895 -12.673 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.077 -6.479 -12.107 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.664 -7.476 -14.279 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.880 -6.022 -14.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.142 -6.186 -15.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.989 -4.836 -14.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.748 -6.245 -14.092 1.00 0.00 H new ATOM 700 N LYS A 46 9.846 -4.341 -8.329 1.00 0.00 N ATOM 701 CA LYS A 46 9.646 -3.232 -7.404 1.00 0.00 C ATOM 702 C LYS A 46 9.005 -3.714 -6.106 1.00 0.00 C ATOM 703 O LYS A 46 7.785 -3.695 -5.944 1.00 0.00 O ATOM 704 CB LYS A 46 8.771 -2.154 -8.047 1.00 0.00 C ATOM 705 CG LYS A 46 8.491 -0.972 -7.135 1.00 0.00 C ATOM 706 CD LYS A 46 7.884 0.191 -7.901 1.00 0.00 C ATOM 707 CE LYS A 46 7.191 1.171 -6.967 1.00 0.00 C ATOM 708 NZ LYS A 46 8.168 1.959 -6.166 1.00 0.00 N ATOM 0 H LYS A 46 9.030 -4.941 -8.450 1.00 0.00 H new ATOM 0 HA LYS A 46 10.622 -2.807 -7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.259 -1.795 -8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.824 -2.600 -8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.813 -1.278 -6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.417 -0.651 -6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.665 0.708 -8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.168 -0.187 -8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.568 1.850 -7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.527 0.626 -6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.656 2.615 -5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.746 1.314 -5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.785 2.499 -6.805 1.00 0.00 H new ATOM 722 N PRO A 47 9.846 -4.156 -5.159 1.00 0.00 N ATOM 723 CA PRO A 47 9.382 -4.649 -3.858 1.00 0.00 C ATOM 724 C PRO A 47 8.824 -3.535 -2.980 1.00 0.00 C ATOM 725 O PRO A 47 9.543 -2.611 -2.603 1.00 0.00 O ATOM 726 CB PRO A 47 10.649 -5.240 -3.231 1.00 0.00 C ATOM 727 CG PRO A 47 11.770 -4.507 -3.883 1.00 0.00 C ATOM 728 CD PRO A 47 11.312 -4.208 -5.283 1.00 0.00 C ATOM 0 HA PRO A 47 8.566 -5.364 -3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.659 -5.099 -2.150 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.718 -6.312 -3.413 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.001 -3.588 -3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.678 -5.110 -3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.718 -3.264 -5.646 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.629 -4.981 -5.983 1.00 0.00 H new ATOM 736 N MET A 48 7.537 -3.629 -2.660 1.00 0.00 N ATOM 737 CA MET A 48 6.884 -2.628 -1.825 1.00 0.00 C ATOM 738 C MET A 48 6.249 -3.275 -0.598 1.00 0.00 C ATOM 739 O MET A 48 5.825 -4.430 -0.641 1.00 0.00 O ATOM 740 CB MET A 48 5.818 -1.880 -2.628 1.00 0.00 C ATOM 741 CG MET A 48 5.215 -0.699 -1.886 1.00 0.00 C ATOM 742 SD MET A 48 6.381 0.661 -1.679 1.00 0.00 S ATOM 743 CE MET A 48 6.935 0.891 -3.366 1.00 0.00 C ATOM 0 H MET A 48 6.927 -4.387 -2.966 1.00 0.00 H new ATOM 0 HA MET A 48 7.642 -1.919 -1.491 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.259 -1.526 -3.560 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.022 -2.575 -2.895 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.340 -0.342 -2.429 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.870 -1.029 -0.906 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.268 1.920 -3.503 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.762 0.211 -3.573 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.113 0.682 -4.051 1.00 0.00 H new ATOM 753 N ASP A 49 6.188 -2.523 0.496 1.00 0.00 N ATOM 754 CA ASP A 49 5.605 -3.023 1.736 1.00 0.00 C ATOM 755 C ASP A 49 4.982 -1.887 2.540 1.00 0.00 C ATOM 756 O ASP A 49 5.153 -0.713 2.211 1.00 0.00 O ATOM 757 CB ASP A 49 6.668 -3.735 2.574 1.00 0.00 C ATOM 758 CG ASP A 49 8.042 -3.113 2.417 1.00 0.00 C ATOM 759 OD1 ASP A 49 8.529 -3.034 1.271 1.00 0.00 O ATOM 760 OD2 ASP A 49 8.628 -2.704 3.442 1.00 0.00 O ATOM 0 H ASP A 49 6.535 -1.565 0.549 1.00 0.00 H new ATOM 0 HA ASP A 49 4.820 -3.735 1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.378 -3.707 3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.712 -4.785 2.284 1.00 0.00 H new ATOM 765 N PHE A 50 4.259 -2.243 3.597 1.00 0.00 N ATOM 766 CA PHE A 50 3.609 -1.253 4.449 1.00 0.00 C ATOM 767 C PHE A 50 4.639 -0.329 5.092 1.00 0.00 C ATOM 768 O PHE A 50 4.405 0.869 5.245 1.00 0.00 O ATOM 769 CB PHE A 50 2.782 -1.947 5.532 1.00 0.00 C ATOM 770 CG PHE A 50 1.371 -2.245 5.110 1.00 0.00 C ATOM 771 CD1 PHE A 50 0.592 -1.270 4.511 1.00 0.00 C ATOM 772 CD2 PHE A 50 0.825 -3.503 5.313 1.00 0.00 C ATOM 773 CE1 PHE A 50 -0.706 -1.541 4.121 1.00 0.00 C ATOM 774 CE2 PHE A 50 -0.472 -3.780 4.925 1.00 0.00 C ATOM 775 CZ PHE A 50 -1.239 -2.798 4.329 1.00 0.00 C ATOM 0 H PHE A 50 4.108 -3.210 3.884 1.00 0.00 H new ATOM 0 HA PHE A 50 2.947 -0.651 3.826 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.273 -2.879 5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.761 -1.317 6.422 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.004 -0.285 4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.420 -4.275 5.779 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.302 -0.771 3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.886 -4.764 5.088 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.253 -3.013 4.026 1.00 0.00 H new ATOM 785 N PHE A 51 5.780 -0.896 5.467 1.00 0.00 N ATOM 786 CA PHE A 51 6.847 -0.126 6.096 1.00 0.00 C ATOM 787 C PHE A 51 7.559 0.754 5.073 1.00 0.00 C ATOM 788 O PHE A 51 7.837 1.926 5.328 1.00 0.00 O ATOM 789 CB PHE A 51 7.853 -1.060 6.769 1.00 0.00 C ATOM 790 CG PHE A 51 9.229 -0.471 6.895 1.00 0.00 C ATOM 791 CD1 PHE A 51 9.538 0.382 7.942 1.00 0.00 C ATOM 792 CD2 PHE A 51 10.212 -0.768 5.965 1.00 0.00 C ATOM 793 CE1 PHE A 51 10.803 0.926 8.061 1.00 0.00 C ATOM 794 CE2 PHE A 51 11.479 -0.228 6.079 1.00 0.00 C ATOM 795 CZ PHE A 51 11.774 0.621 7.127 1.00 0.00 C ATOM 0 H PHE A 51 5.990 -1.887 5.346 1.00 0.00 H new ATOM 0 HA PHE A 51 6.397 0.517 6.853 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.486 -1.321 7.762 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.914 -1.987 6.198 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.782 0.625 8.674 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.986 -1.429 5.142 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.032 1.588 8.883 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.237 -0.470 5.349 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.763 1.046 7.216 1.00 0.00 H new ATOM 805 N THR A 52 7.853 0.180 3.910 1.00 0.00 N ATOM 806 CA THR A 52 8.533 0.908 2.847 1.00 0.00 C ATOM 807 C THR A 52 7.700 2.092 2.371 1.00 0.00 C ATOM 808 O THR A 52 8.164 3.232 2.377 1.00 0.00 O ATOM 809 CB THR A 52 8.839 -0.006 1.646 1.00 0.00 C ATOM 810 OG1 THR A 52 9.936 -0.873 1.957 1.00 0.00 O ATOM 811 CG2 THR A 52 9.172 0.817 0.410 1.00 0.00 C ATOM 0 H THR A 52 7.630 -0.789 3.681 1.00 0.00 H new ATOM 0 HA THR A 52 9.472 1.272 3.265 1.00 0.00 H new ATOM 0 HB THR A 52 7.952 -0.603 1.437 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.732 -1.379 2.771 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.384 0.150 -0.425 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.325 1.455 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.046 1.437 0.610 1.00 0.00 H new ATOM 819 N MET A 53 6.466 1.815 1.960 1.00 0.00 N ATOM 820 CA MET A 53 5.568 2.859 1.483 1.00 0.00 C ATOM 821 C MET A 53 5.501 4.015 2.476 1.00 0.00 C ATOM 822 O MET A 53 5.435 5.180 2.083 1.00 0.00 O ATOM 823 CB MET A 53 4.167 2.289 1.252 1.00 0.00 C ATOM 824 CG MET A 53 3.466 1.864 2.531 1.00 0.00 C ATOM 825 SD MET A 53 1.812 1.212 2.233 1.00 0.00 S ATOM 826 CE MET A 53 1.270 2.265 0.889 1.00 0.00 C ATOM 0 H MET A 53 6.066 0.877 1.948 1.00 0.00 H new ATOM 0 HA MET A 53 5.960 3.237 0.539 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.558 3.038 0.745 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.238 1.431 0.584 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.066 1.106 3.035 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.400 2.718 3.205 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.185 2.215 0.802 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.571 3.293 1.088 1.00 0.00 H new ATOM 0 HE3 MET A 53 1.724 1.928 -0.043 1.00 0.00 H new ATOM 836 N LYS A 54 5.521 3.686 3.762 1.00 0.00 N ATOM 837 CA LYS A 54 5.465 4.697 4.812 1.00 0.00 C ATOM 838 C LYS A 54 6.617 5.687 4.677 1.00 0.00 C ATOM 839 O LYS A 54 6.404 6.897 4.616 1.00 0.00 O ATOM 840 CB LYS A 54 5.508 4.034 6.190 1.00 0.00 C ATOM 841 CG LYS A 54 4.827 4.847 7.278 1.00 0.00 C ATOM 842 CD LYS A 54 5.502 6.194 7.472 1.00 0.00 C ATOM 843 CE LYS A 54 5.286 6.727 8.881 1.00 0.00 C ATOM 844 NZ LYS A 54 6.249 6.136 9.851 1.00 0.00 N ATOM 0 H LYS A 54 5.576 2.726 4.104 1.00 0.00 H new ATOM 0 HA LYS A 54 4.527 5.242 4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.032 3.055 6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.548 3.866 6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.779 4.998 7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.846 4.291 8.215 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.570 6.098 7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.109 6.907 6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.392 7.812 8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.267 6.507 9.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.069 6.524 10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.131 5.103 9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.220 6.368 9.561 1.00 0.00 H new ATOM 858 N GLN A 55 7.839 5.164 4.628 1.00 0.00 N ATOM 859 CA GLN A 55 9.024 6.003 4.499 1.00 0.00 C ATOM 860 C GLN A 55 8.865 6.997 3.352 1.00 0.00 C ATOM 861 O GLN A 55 9.023 8.202 3.537 1.00 0.00 O ATOM 862 CB GLN A 55 10.265 5.138 4.271 1.00 0.00 C ATOM 863 CG GLN A 55 10.474 4.082 5.345 1.00 0.00 C ATOM 864 CD GLN A 55 11.249 4.607 6.537 1.00 0.00 C ATOM 865 OE1 GLN A 55 12.367 5.103 6.396 1.00 0.00 O ATOM 866 NE2 GLN A 55 10.658 4.500 7.722 1.00 0.00 N ATOM 0 H GLN A 55 8.033 4.164 4.676 1.00 0.00 H new ATOM 0 HA GLN A 55 9.145 6.562 5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.183 4.647 3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.144 5.781 4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.504 3.714 5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.006 3.233 4.916 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.730 4.082 7.793 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.132 4.836 8.560 1.00 0.00 H new ATOM 875 N ASN A 56 8.553 6.481 2.168 1.00 0.00 N ATOM 876 CA ASN A 56 8.374 7.323 0.991 1.00 0.00 C ATOM 877 C ASN A 56 7.317 8.393 1.243 1.00 0.00 C ATOM 878 O ASN A 56 7.488 9.553 0.862 1.00 0.00 O ATOM 879 CB ASN A 56 7.975 6.471 -0.215 1.00 0.00 C ATOM 880 CG ASN A 56 8.952 5.339 -0.473 1.00 0.00 C ATOM 881 OD1 ASN A 56 10.086 5.363 0.004 1.00 0.00 O ATOM 882 ND2 ASN A 56 8.514 4.341 -1.231 1.00 0.00 N ATOM 0 H ASN A 56 8.419 5.484 1.998 1.00 0.00 H new ATOM 0 HA ASN A 56 9.323 7.817 0.781 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.980 6.058 -0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.915 7.104 -1.100 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.126 3.552 -1.439 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.565 4.363 -1.605 1.00 0.00 H new ATOM 889 N LEU A 57 6.225 7.998 1.888 1.00 0.00 N ATOM 890 CA LEU A 57 5.139 8.923 2.193 1.00 0.00 C ATOM 891 C LEU A 57 5.616 10.036 3.121 1.00 0.00 C ATOM 892 O LEU A 57 5.291 11.206 2.921 1.00 0.00 O ATOM 893 CB LEU A 57 3.969 8.175 2.835 1.00 0.00 C ATOM 894 CG LEU A 57 2.890 9.044 3.480 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.540 8.345 3.427 1.00 0.00 C ATOM 896 CD2 LEU A 57 3.263 9.377 4.918 1.00 0.00 C ATOM 0 H LEU A 57 6.068 7.043 2.210 1.00 0.00 H new ATOM 0 HA LEU A 57 4.805 9.372 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.499 7.554 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.367 7.502 3.594 1.00 0.00 H new ATOM 0 HG LEU A 57 2.817 9.976 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.784 8.978 3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.268 8.157 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.599 7.398 3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.484 9.996 5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.364 8.455 5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.209 9.918 4.932 1.00 0.00 H new ATOM 908 N GLU A 58 6.390 9.662 4.135 1.00 0.00 N ATOM 909 CA GLU A 58 6.913 10.630 5.093 1.00 0.00 C ATOM 910 C GLU A 58 7.951 11.536 4.439 1.00 0.00 C ATOM 911 O GLU A 58 8.290 12.594 4.968 1.00 0.00 O ATOM 912 CB GLU A 58 7.532 9.910 6.293 1.00 0.00 C ATOM 913 CG GLU A 58 6.510 9.230 7.188 1.00 0.00 C ATOM 914 CD GLU A 58 5.885 10.183 8.188 1.00 0.00 C ATOM 915 OE1 GLU A 58 6.641 10.858 8.918 1.00 0.00 O ATOM 916 OE2 GLU A 58 4.640 10.255 8.241 1.00 0.00 O ATOM 0 H GLU A 58 6.669 8.697 4.314 1.00 0.00 H new ATOM 0 HA GLU A 58 6.083 11.247 5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.240 9.164 5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.099 10.629 6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.726 8.792 6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.989 8.410 7.723 1.00 0.00 H new ATOM 923 N ALA A 59 8.454 11.113 3.284 1.00 0.00 N ATOM 924 CA ALA A 59 9.452 11.886 2.556 1.00 0.00 C ATOM 925 C ALA A 59 8.799 12.774 1.502 1.00 0.00 C ATOM 926 O ALA A 59 9.480 13.362 0.663 1.00 0.00 O ATOM 927 CB ALA A 59 10.470 10.958 1.909 1.00 0.00 C ATOM 0 H ALA A 59 8.186 10.239 2.832 1.00 0.00 H new ATOM 0 HA ALA A 59 9.965 12.531 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.209 11.549 1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.968 10.370 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.962 10.289 1.214 1.00 0.00 H new ATOM 933 N TYR A 60 7.474 12.866 1.553 1.00 0.00 N ATOM 934 CA TYR A 60 6.728 13.679 0.600 1.00 0.00 C ATOM 935 C TYR A 60 6.952 13.190 -0.828 1.00 0.00 C ATOM 936 O TYR A 60 7.109 13.988 -1.752 1.00 0.00 O ATOM 937 CB TYR A 60 7.141 15.147 0.718 1.00 0.00 C ATOM 938 CG TYR A 60 6.593 15.833 1.949 1.00 0.00 C ATOM 939 CD1 TYR A 60 6.830 15.318 3.218 1.00 0.00 C ATOM 940 CD2 TYR A 60 5.840 16.995 1.846 1.00 0.00 C ATOM 941 CE1 TYR A 60 6.332 15.940 4.347 1.00 0.00 C ATOM 942 CE2 TYR A 60 5.338 17.624 2.968 1.00 0.00 C ATOM 943 CZ TYR A 60 5.587 17.093 4.216 1.00 0.00 C ATOM 944 OH TYR A 60 5.089 17.716 5.337 1.00 0.00 O ATOM 0 H TYR A 60 6.895 12.388 2.244 1.00 0.00 H new ATOM 0 HA TYR A 60 5.668 13.586 0.834 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.229 15.210 0.731 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.802 15.684 -0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.414 14.416 3.324 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.643 17.415 0.870 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.525 15.526 5.326 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.754 18.527 2.869 1.00 0.00 H new ATOM 0 HH TYR A 60 4.588 18.515 5.072 1.00 0.00 H new ATOM 954 N ARG A 61 6.965 11.872 -0.999 1.00 0.00 N ATOM 955 CA ARG A 61 7.171 11.275 -2.313 1.00 0.00 C ATOM 956 C ARG A 61 5.840 11.071 -3.032 1.00 0.00 C ATOM 957 O ARG A 61 5.791 10.990 -4.259 1.00 0.00 O ATOM 958 CB ARG A 61 7.900 9.936 -2.181 1.00 0.00 C ATOM 959 CG ARG A 61 9.380 10.078 -1.866 1.00 0.00 C ATOM 960 CD ARG A 61 10.180 8.904 -2.408 1.00 0.00 C ATOM 961 NE ARG A 61 11.617 9.091 -2.227 1.00 0.00 N ATOM 962 CZ ARG A 61 12.524 8.180 -2.562 1.00 0.00 C ATOM 963 NH1 ARG A 61 12.144 7.025 -3.093 1.00 0.00 N ATOM 964 NH2 ARG A 61 13.814 8.423 -2.367 1.00 0.00 N ATOM 0 H ARG A 61 6.835 11.198 -0.245 1.00 0.00 H new ATOM 0 HA ARG A 61 7.783 11.958 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.425 9.349 -1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.787 9.377 -3.110 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.757 11.006 -2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.518 10.147 -0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.867 7.989 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.962 8.775 -3.468 1.00 0.00 H new ATOM 0 HE ARG A 61 11.942 9.969 -1.821 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.153 6.835 -3.245 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.842 6.327 -3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.110 9.310 -1.959 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.509 7.723 -2.625 1.00 0.00 H new ATOM 978 N TYR A 62 4.762 10.989 -2.258 1.00 0.00 N ATOM 979 CA TYR A 62 3.431 10.792 -2.821 1.00 0.00 C ATOM 980 C TYR A 62 2.621 12.084 -2.767 1.00 0.00 C ATOM 981 O TYR A 62 2.212 12.530 -1.695 1.00 0.00 O ATOM 982 CB TYR A 62 2.695 9.684 -2.066 1.00 0.00 C ATOM 983 CG TYR A 62 3.476 8.393 -1.973 1.00 0.00 C ATOM 984 CD1 TYR A 62 4.054 7.824 -3.101 1.00 0.00 C ATOM 985 CD2 TYR A 62 3.637 7.741 -0.756 1.00 0.00 C ATOM 986 CE1 TYR A 62 4.768 6.645 -3.021 1.00 0.00 C ATOM 987 CE2 TYR A 62 4.350 6.561 -0.666 1.00 0.00 C ATOM 988 CZ TYR A 62 4.913 6.017 -1.801 1.00 0.00 C ATOM 989 OH TYR A 62 5.625 4.842 -1.716 1.00 0.00 O ATOM 0 H TYR A 62 4.784 11.056 -1.240 1.00 0.00 H new ATOM 0 HA TYR A 62 3.544 10.498 -3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.465 10.033 -1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.744 9.489 -2.561 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.943 8.313 -4.058 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.197 8.164 0.135 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.210 6.217 -3.908 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.466 6.068 0.288 1.00 0.00 H new ATOM 0 HH TYR A 62 5.709 4.445 -2.608 1.00 0.00 H new ATOM 999 N LEU A 63 2.393 12.679 -3.933 1.00 0.00 N ATOM 1000 CA LEU A 63 1.631 13.919 -4.022 1.00 0.00 C ATOM 1001 C LEU A 63 0.245 13.667 -4.608 1.00 0.00 C ATOM 1002 O LEU A 63 -0.691 14.425 -4.362 1.00 0.00 O ATOM 1003 CB LEU A 63 2.381 14.942 -4.878 1.00 0.00 C ATOM 1004 CG LEU A 63 3.844 15.185 -4.505 1.00 0.00 C ATOM 1005 CD1 LEU A 63 4.635 15.642 -5.720 1.00 0.00 C ATOM 1006 CD2 LEU A 63 3.946 16.208 -3.385 1.00 0.00 C ATOM 0 H LEU A 63 2.725 12.323 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 63 1.512 14.316 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.341 14.615 -5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.850 15.892 -4.822 1.00 0.00 H new ATOM 0 HG LEU A 63 4.270 14.246 -4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.674 15.810 -5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.590 14.875 -6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.209 16.569 -6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.994 16.368 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.503 17.149 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.414 15.841 -2.507 1.00 0.00 H new ATOM 1018 N ASN A 64 0.124 12.596 -5.385 1.00 0.00 N ATOM 1019 CA ASN A 64 -1.148 12.241 -6.005 1.00 0.00 C ATOM 1020 C ASN A 64 -1.603 10.855 -5.560 1.00 0.00 C ATOM 1021 O ASN A 64 -0.862 9.878 -5.679 1.00 0.00 O ATOM 1022 CB ASN A 64 -1.025 12.285 -7.530 1.00 0.00 C ATOM 1023 CG ASN A 64 -0.147 13.426 -8.007 1.00 0.00 C ATOM 1024 OD1 ASN A 64 -0.613 14.554 -8.174 1.00 0.00 O ATOM 1025 ND2 ASN A 64 1.130 13.139 -8.227 1.00 0.00 N ATOM 0 H ASN A 64 0.891 11.959 -5.601 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.895 12.968 -5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.614 11.340 -7.886 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.018 12.386 -7.969 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.768 13.867 -8.548 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.473 12.190 -8.075 1.00 0.00 H new ATOM 1032 N PHE A 65 -2.827 10.776 -5.047 1.00 0.00 N ATOM 1033 CA PHE A 65 -3.382 9.509 -4.584 1.00 0.00 C ATOM 1034 C PHE A 65 -2.893 8.352 -5.451 1.00 0.00 C ATOM 1035 O PHE A 65 -2.313 7.390 -4.951 1.00 0.00 O ATOM 1036 CB PHE A 65 -4.910 9.563 -4.597 1.00 0.00 C ATOM 1037 CG PHE A 65 -5.553 8.569 -3.673 1.00 0.00 C ATOM 1038 CD1 PHE A 65 -5.829 7.282 -4.102 1.00 0.00 C ATOM 1039 CD2 PHE A 65 -5.881 8.923 -2.373 1.00 0.00 C ATOM 1040 CE1 PHE A 65 -6.420 6.364 -3.253 1.00 0.00 C ATOM 1041 CE2 PHE A 65 -6.472 8.010 -1.520 1.00 0.00 C ATOM 1042 CZ PHE A 65 -6.743 6.730 -1.962 1.00 0.00 C ATOM 0 H PHE A 65 -3.453 11.574 -4.942 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.041 9.342 -3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.232 10.567 -4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.263 9.384 -5.613 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.580 6.991 -5.112 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.672 9.923 -2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.628 5.363 -3.600 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.722 8.297 -0.509 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.207 6.016 -1.298 1.00 0.00 H new ATOM 1052 N ASP A 66 -3.134 8.455 -6.754 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.720 7.418 -7.692 1.00 0.00 C ATOM 1054 C ASP A 66 -1.391 6.800 -7.266 1.00 0.00 C ATOM 1055 O ASP A 66 -1.262 5.579 -7.184 1.00 0.00 O ATOM 1056 CB ASP A 66 -2.599 7.997 -9.102 1.00 0.00 C ATOM 1057 CG ASP A 66 -1.853 7.072 -10.045 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -2.505 6.209 -10.670 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -0.618 7.212 -10.158 1.00 0.00 O ATOM 0 H ASP A 66 -3.614 9.246 -7.184 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.480 6.637 -7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.595 8.190 -9.499 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.083 8.956 -9.055 1.00 0.00 H new ATOM 1064 N ASP A 67 -0.408 7.652 -6.998 1.00 0.00 N ATOM 1065 CA ASP A 67 0.911 7.190 -6.581 1.00 0.00 C ATOM 1066 C ASP A 67 0.827 6.417 -5.269 1.00 0.00 C ATOM 1067 O ASP A 67 1.290 5.281 -5.175 1.00 0.00 O ATOM 1068 CB ASP A 67 1.865 8.375 -6.429 1.00 0.00 C ATOM 1069 CG ASP A 67 2.518 8.766 -7.740 1.00 0.00 C ATOM 1070 OD1 ASP A 67 2.715 7.875 -8.593 1.00 0.00 O ATOM 1071 OD2 ASP A 67 2.832 9.962 -7.914 1.00 0.00 O ATOM 0 H ASP A 67 -0.499 8.666 -7.062 1.00 0.00 H new ATOM 0 HA ASP A 67 1.295 6.521 -7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.318 9.229 -6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.638 8.124 -5.702 1.00 0.00 H new ATOM 1076 N PHE A 68 0.232 7.041 -4.258 1.00 0.00 N ATOM 1077 CA PHE A 68 0.089 6.413 -2.950 1.00 0.00 C ATOM 1078 C PHE A 68 -0.627 5.071 -3.067 1.00 0.00 C ATOM 1079 O PHE A 68 -0.419 4.172 -2.252 1.00 0.00 O ATOM 1080 CB PHE A 68 -0.680 7.334 -2.000 1.00 0.00 C ATOM 1081 CG PHE A 68 -1.057 6.676 -0.702 1.00 0.00 C ATOM 1082 CD1 PHE A 68 -0.200 6.716 0.385 1.00 0.00 C ATOM 1083 CD2 PHE A 68 -2.270 6.019 -0.572 1.00 0.00 C ATOM 1084 CE1 PHE A 68 -0.545 6.112 1.579 1.00 0.00 C ATOM 1085 CE2 PHE A 68 -2.620 5.413 0.621 1.00 0.00 C ATOM 1086 CZ PHE A 68 -1.757 5.460 1.697 1.00 0.00 C ATOM 0 H PHE A 68 -0.159 7.981 -4.319 1.00 0.00 H new ATOM 0 HA PHE A 68 1.087 6.238 -2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.073 8.214 -1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.585 7.683 -2.498 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.749 7.225 0.299 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.949 5.980 -1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.132 6.150 2.419 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.568 4.903 0.710 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.029 4.988 2.630 1.00 0.00 H new ATOM 1096 N GLU A 69 -1.471 4.944 -4.086 1.00 0.00 N ATOM 1097 CA GLU A 69 -2.220 3.712 -4.308 1.00 0.00 C ATOM 1098 C GLU A 69 -1.351 2.666 -5.002 1.00 0.00 C ATOM 1099 O GLU A 69 -1.426 1.478 -4.691 1.00 0.00 O ATOM 1100 CB GLU A 69 -3.468 3.993 -5.147 1.00 0.00 C ATOM 1101 CG GLU A 69 -4.136 2.737 -5.681 1.00 0.00 C ATOM 1102 CD GLU A 69 -5.483 3.019 -6.318 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -6.331 3.655 -5.658 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -5.690 2.604 -7.478 1.00 0.00 O ATOM 0 H GLU A 69 -1.653 5.678 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.524 3.321 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.186 4.547 -4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.196 4.634 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.482 2.266 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.265 2.024 -4.866 1.00 0.00 H new ATOM 1111 N GLU A 70 -0.529 3.118 -5.944 1.00 0.00 N ATOM 1112 CA GLU A 70 0.352 2.222 -6.683 1.00 0.00 C ATOM 1113 C GLU A 70 1.161 1.346 -5.729 1.00 0.00 C ATOM 1114 O GLU A 70 1.098 0.119 -5.793 1.00 0.00 O ATOM 1115 CB GLU A 70 1.296 3.024 -7.581 1.00 0.00 C ATOM 1116 CG GLU A 70 1.724 2.277 -8.834 1.00 0.00 C ATOM 1117 CD GLU A 70 3.100 2.692 -9.318 1.00 0.00 C ATOM 1118 OE1 GLU A 70 4.099 2.171 -8.779 1.00 0.00 O ATOM 1119 OE2 GLU A 70 3.178 3.536 -10.234 1.00 0.00 O ATOM 0 H GLU A 70 -0.455 4.099 -6.213 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.268 1.576 -7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.806 3.953 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.183 3.297 -7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.721 1.206 -8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.996 2.455 -9.625 1.00 0.00 H new ATOM 1126 N ASP A 71 1.919 1.987 -4.848 1.00 0.00 N ATOM 1127 CA ASP A 71 2.741 1.269 -3.881 1.00 0.00 C ATOM 1128 C ASP A 71 1.973 0.094 -3.283 1.00 0.00 C ATOM 1129 O ASP A 71 2.412 -1.054 -3.364 1.00 0.00 O ATOM 1130 CB ASP A 71 3.201 2.212 -2.769 1.00 0.00 C ATOM 1131 CG ASP A 71 3.501 3.607 -3.280 1.00 0.00 C ATOM 1132 OD1 ASP A 71 4.562 3.791 -3.912 1.00 0.00 O ATOM 1133 OD2 ASP A 71 2.675 4.515 -3.050 1.00 0.00 O ATOM 0 H ASP A 71 1.982 3.003 -4.783 1.00 0.00 H new ATOM 0 HA ASP A 71 3.616 0.882 -4.402 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.429 2.268 -2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 71 4.093 1.802 -2.295 1.00 0.00 H new ATOM 1138 N PHE A 72 0.826 0.388 -2.681 1.00 0.00 N ATOM 1139 CA PHE A 72 -0.002 -0.643 -2.067 1.00 0.00 C ATOM 1140 C PHE A 72 -0.233 -1.802 -3.033 1.00 0.00 C ATOM 1141 O PHE A 72 0.090 -2.949 -2.731 1.00 0.00 O ATOM 1142 CB PHE A 72 -1.345 -0.055 -1.628 1.00 0.00 C ATOM 1143 CG PHE A 72 -2.361 -1.095 -1.250 1.00 0.00 C ATOM 1144 CD1 PHE A 72 -3.163 -1.681 -2.216 1.00 0.00 C ATOM 1145 CD2 PHE A 72 -2.511 -1.487 0.070 1.00 0.00 C ATOM 1146 CE1 PHE A 72 -4.100 -2.638 -1.870 1.00 0.00 C ATOM 1147 CE2 PHE A 72 -3.445 -2.444 0.421 1.00 0.00 C ATOM 1148 CZ PHE A 72 -4.240 -3.021 -0.551 1.00 0.00 C ATOM 0 H PHE A 72 0.448 1.332 -2.605 1.00 0.00 H new ATOM 0 HA PHE A 72 0.524 -1.022 -1.191 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.182 0.608 -0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.746 0.556 -2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.055 -1.388 -3.250 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.891 -1.040 0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.722 -3.085 -2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.553 -2.740 1.454 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.969 -3.770 -0.279 1.00 0.00 H new ATOM 1158 N ASN A 73 -0.795 -1.490 -4.197 1.00 0.00 N ATOM 1159 CA ASN A 73 -1.071 -2.505 -5.208 1.00 0.00 C ATOM 1160 C ASN A 73 0.064 -3.522 -5.282 1.00 0.00 C ATOM 1161 O ASN A 73 -0.162 -4.730 -5.188 1.00 0.00 O ATOM 1162 CB ASN A 73 -1.274 -1.851 -6.576 1.00 0.00 C ATOM 1163 CG ASN A 73 -2.691 -1.347 -6.770 1.00 0.00 C ATOM 1164 OD1 ASN A 73 -3.651 -1.964 -6.308 1.00 0.00 O ATOM 1165 ND2 ASN A 73 -2.829 -0.220 -7.458 1.00 0.00 N ATOM 0 H ASN A 73 -1.068 -0.544 -4.463 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.985 -3.026 -4.923 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.577 -1.020 -6.686 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.037 -2.571 -7.359 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.758 0.167 -7.622 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.006 0.259 -7.823 1.00 0.00 H new ATOM 1172 N LEU A 74 1.284 -3.027 -5.451 1.00 0.00 N ATOM 1173 CA LEU A 74 2.456 -3.891 -5.537 1.00 0.00 C ATOM 1174 C LEU A 74 2.530 -4.829 -4.336 1.00 0.00 C ATOM 1175 O LEU A 74 2.586 -6.049 -4.492 1.00 0.00 O ATOM 1176 CB LEU A 74 3.731 -3.049 -5.621 1.00 0.00 C ATOM 1177 CG LEU A 74 3.993 -2.360 -6.960 1.00 0.00 C ATOM 1178 CD1 LEU A 74 5.147 -1.378 -6.838 1.00 0.00 C ATOM 1179 CD2 LEU A 74 4.280 -3.390 -8.043 1.00 0.00 C ATOM 0 H LEU A 74 1.488 -2.031 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 74 2.367 -4.494 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.690 -2.285 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.582 -3.691 -5.393 1.00 0.00 H new ATOM 0 HG LEU A 74 3.098 -1.805 -7.242 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.319 -0.897 -7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.903 -0.621 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.047 -1.911 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.464 -2.881 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.159 -3.973 -7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.423 -4.055 -8.149 1.00 0.00 H new ATOM 1191 N ILE A 75 2.530 -4.250 -3.140 1.00 0.00 N ATOM 1192 CA ILE A 75 2.594 -5.035 -1.913 1.00 0.00 C ATOM 1193 C ILE A 75 1.810 -6.335 -2.050 1.00 0.00 C ATOM 1194 O ILE A 75 2.230 -7.382 -1.554 1.00 0.00 O ATOM 1195 CB ILE A 75 2.048 -4.243 -0.710 1.00 0.00 C ATOM 1196 CG1 ILE A 75 2.878 -2.978 -0.484 1.00 0.00 C ATOM 1197 CG2 ILE A 75 2.048 -5.112 0.539 1.00 0.00 C ATOM 1198 CD1 ILE A 75 2.397 -2.140 0.680 1.00 0.00 C ATOM 0 H ILE A 75 2.486 -3.241 -2.994 1.00 0.00 H new ATOM 0 HA ILE A 75 3.645 -5.265 -1.740 1.00 0.00 H new ATOM 0 HB ILE A 75 1.021 -3.947 -0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.917 -3.260 -0.313 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.857 -2.373 -1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.660 -4.539 1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.418 -5.986 0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.066 -5.434 0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.032 -1.260 0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.368 -1.827 0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.444 -2.729 1.596 1.00 0.00 H new ATOM 1210 N VAL A 76 0.670 -6.263 -2.729 1.00 0.00 N ATOM 1211 CA VAL A 76 -0.172 -7.435 -2.935 1.00 0.00 C ATOM 1212 C VAL A 76 0.261 -8.214 -4.172 1.00 0.00 C ATOM 1213 O VAL A 76 0.340 -9.442 -4.149 1.00 0.00 O ATOM 1214 CB VAL A 76 -1.654 -7.043 -3.084 1.00 0.00 C ATOM 1215 CG1 VAL A 76 -2.519 -8.280 -3.270 1.00 0.00 C ATOM 1216 CG2 VAL A 76 -2.114 -6.237 -1.878 1.00 0.00 C ATOM 0 H VAL A 76 0.308 -5.405 -3.146 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.056 -8.065 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.760 -6.420 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.562 -7.982 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.203 -8.813 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.412 -8.932 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.163 -5.968 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.994 -6.834 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.514 -5.331 -1.796 1.00 0.00 H new ATOM 1226 N SER A 77 0.545 -7.491 -5.251 1.00 0.00 N ATOM 1227 CA SER A 77 0.968 -8.113 -6.499 1.00 0.00 C ATOM 1228 C SER A 77 2.237 -8.935 -6.293 1.00 0.00 C ATOM 1229 O SER A 77 2.218 -10.161 -6.389 1.00 0.00 O ATOM 1230 CB SER A 77 1.206 -7.047 -7.571 1.00 0.00 C ATOM 1231 OG SER A 77 0.071 -6.211 -7.719 1.00 0.00 O ATOM 0 H SER A 77 0.490 -6.473 -5.285 1.00 0.00 H new ATOM 0 HA SER A 77 0.173 -8.780 -6.831 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.073 -6.444 -7.303 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.434 -7.528 -8.522 1.00 0.00 H new ATOM 0 HG SER A 77 0.004 -5.610 -6.948 1.00 0.00 H new ATOM 1237 N ASN A 78 3.339 -8.249 -6.009 1.00 0.00 N ATOM 1238 CA ASN A 78 4.619 -8.914 -5.790 1.00 0.00 C ATOM 1239 C ASN A 78 4.448 -10.143 -4.901 1.00 0.00 C ATOM 1240 O ASN A 78 5.237 -11.085 -4.969 1.00 0.00 O ATOM 1241 CB ASN A 78 5.618 -7.946 -5.153 1.00 0.00 C ATOM 1242 CG ASN A 78 4.959 -6.998 -4.169 1.00 0.00 C ATOM 1243 OD1 ASN A 78 4.207 -7.422 -3.291 1.00 0.00 O ATOM 1244 ND2 ASN A 78 5.237 -5.708 -4.314 1.00 0.00 N ATOM 0 H ASN A 78 3.372 -7.233 -5.925 1.00 0.00 H new ATOM 0 HA ASN A 78 5.003 -9.237 -6.758 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.394 -8.514 -4.641 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.110 -7.368 -5.936 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.821 -5.023 -3.683 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.866 -5.402 -5.056 1.00 0.00 H new ATOM 1251 N CYS A 79 3.412 -10.125 -4.070 1.00 0.00 N ATOM 1252 CA CYS A 79 3.137 -11.237 -3.168 1.00 0.00 C ATOM 1253 C CYS A 79 2.329 -12.323 -3.873 1.00 0.00 C ATOM 1254 O CYS A 79 2.555 -13.515 -3.662 1.00 0.00 O ATOM 1255 CB CYS A 79 2.381 -10.745 -1.932 1.00 0.00 C ATOM 1256 SG CYS A 79 2.516 -11.840 -0.500 1.00 0.00 S ATOM 0 H CYS A 79 2.749 -9.353 -4.002 1.00 0.00 H new ATOM 0 HA CYS A 79 4.091 -11.663 -2.856 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.756 -9.759 -1.658 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.328 -10.626 -2.187 1.00 0.00 H new ATOM 0 HG CYS A 79 1.326 -12.171 -0.093 1.00 0.00 H new ATOM 1262 N LEU A 80 1.386 -11.901 -4.708 1.00 0.00 N ATOM 1263 CA LEU A 80 0.543 -12.837 -5.445 1.00 0.00 C ATOM 1264 C LEU A 80 1.249 -13.334 -6.702 1.00 0.00 C ATOM 1265 O LEU A 80 0.795 -14.277 -7.351 1.00 0.00 O ATOM 1266 CB LEU A 80 -0.782 -12.173 -5.820 1.00 0.00 C ATOM 1267 CG LEU A 80 -1.656 -11.710 -4.653 1.00 0.00 C ATOM 1268 CD1 LEU A 80 -2.777 -10.811 -5.150 1.00 0.00 C ATOM 1269 CD2 LEU A 80 -2.222 -12.908 -3.903 1.00 0.00 C ATOM 0 H LEU A 80 1.186 -10.918 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 80 0.344 -13.693 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.567 -11.311 -6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.359 -12.874 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.036 -11.136 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.388 -10.491 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.351 -9.936 -5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.396 -11.360 -5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.841 -12.560 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.827 -13.509 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.403 -13.513 -3.514 1.00 0.00 H new ATOM 1281 N LYS A 81 2.365 -12.696 -7.039 1.00 0.00 N ATOM 1282 CA LYS A 81 3.139 -13.075 -8.216 1.00 0.00 C ATOM 1283 C LYS A 81 4.336 -13.935 -7.827 1.00 0.00 C ATOM 1284 O LYS A 81 4.900 -14.646 -8.659 1.00 0.00 O ATOM 1285 CB LYS A 81 3.613 -11.827 -8.962 1.00 0.00 C ATOM 1286 CG LYS A 81 4.909 -12.033 -9.729 1.00 0.00 C ATOM 1287 CD LYS A 81 5.200 -10.864 -10.657 1.00 0.00 C ATOM 1288 CE LYS A 81 6.337 -11.183 -11.615 1.00 0.00 C ATOM 1289 NZ LYS A 81 6.375 -10.237 -12.764 1.00 0.00 N ATOM 0 H LYS A 81 2.754 -11.913 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 81 2.494 -13.660 -8.872 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.835 -11.512 -9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.749 -11.016 -8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.733 -12.155 -9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.847 -12.953 -10.310 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.303 -10.617 -11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.456 -9.984 -10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.285 -11.142 -11.079 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.224 -12.201 -11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.164 -10.488 -13.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.480 -10.294 -13.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.508 -9.268 -12.411 1.00 0.00 H new ATOM 1303 N TYR A 82 4.721 -13.865 -6.557 1.00 0.00 N ATOM 1304 CA TYR A 82 5.854 -14.636 -6.058 1.00 0.00 C ATOM 1305 C TYR A 82 5.380 -15.890 -5.329 1.00 0.00 C ATOM 1306 O TYR A 82 5.960 -16.965 -5.478 1.00 0.00 O ATOM 1307 CB TYR A 82 6.707 -13.780 -5.121 1.00 0.00 C ATOM 1308 CG TYR A 82 8.071 -14.368 -4.838 1.00 0.00 C ATOM 1309 CD1 TYR A 82 8.994 -14.559 -5.858 1.00 0.00 C ATOM 1310 CD2 TYR A 82 8.437 -14.732 -3.547 1.00 0.00 C ATOM 1311 CE1 TYR A 82 10.240 -15.097 -5.604 1.00 0.00 C ATOM 1312 CE2 TYR A 82 9.683 -15.269 -3.283 1.00 0.00 C ATOM 1313 CZ TYR A 82 10.580 -15.450 -4.315 1.00 0.00 C ATOM 1314 OH TYR A 82 11.821 -15.985 -4.057 1.00 0.00 O ATOM 0 H TYR A 82 4.265 -13.282 -5.855 1.00 0.00 H new ATOM 0 HA TYR A 82 6.459 -14.940 -6.912 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.831 -12.790 -5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 82 6.175 -13.647 -4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.732 -14.282 -6.868 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.736 -14.593 -2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.944 -15.241 -6.410 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.953 -15.545 -2.274 1.00 0.00 H new ATOM 0 HH TYR A 82 12.470 -15.631 -4.700 1.00 0.00 H new ATOM 1324 N ASN A 83 4.319 -15.744 -4.541 1.00 0.00 N ATOM 1325 CA ASN A 83 3.767 -16.864 -3.789 1.00 0.00 C ATOM 1326 C ASN A 83 2.455 -17.339 -4.405 1.00 0.00 C ATOM 1327 O ASN A 83 1.868 -16.655 -5.243 1.00 0.00 O ATOM 1328 CB ASN A 83 3.540 -16.462 -2.329 1.00 0.00 C ATOM 1329 CG ASN A 83 4.764 -15.812 -1.712 1.00 0.00 C ATOM 1330 OD1 ASN A 83 5.847 -16.398 -1.688 1.00 0.00 O ATOM 1331 ND2 ASN A 83 4.597 -14.595 -1.208 1.00 0.00 N ATOM 0 H ASN A 83 3.825 -14.862 -4.407 1.00 0.00 H new ATOM 0 HA ASN A 83 4.484 -17.684 -3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.698 -15.773 -2.271 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.270 -17.345 -1.750 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.384 -14.108 -0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.682 -14.147 -1.250 1.00 0.00 H new ATOM 1338 N ALA A 84 2.001 -18.515 -3.985 1.00 0.00 N ATOM 1339 CA ALA A 84 0.758 -19.081 -4.493 1.00 0.00 C ATOM 1340 C ALA A 84 -0.288 -19.188 -3.391 1.00 0.00 C ATOM 1341 O ALA A 84 0.033 -19.099 -2.205 1.00 0.00 O ATOM 1342 CB ALA A 84 1.015 -20.446 -5.115 1.00 0.00 C ATOM 0 H ALA A 84 2.476 -19.095 -3.293 1.00 0.00 H new ATOM 0 HA ALA A 84 0.370 -18.411 -5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.078 -20.857 -5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.722 -20.343 -5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.430 -21.117 -4.362 1.00 0.00 H new ATOM 1348 N LYS A 85 -1.543 -19.380 -3.786 1.00 0.00 N ATOM 1349 CA LYS A 85 -2.637 -19.501 -2.832 1.00 0.00 C ATOM 1350 C LYS A 85 -2.244 -20.399 -1.664 1.00 0.00 C ATOM 1351 O LYS A 85 -2.415 -20.032 -0.501 1.00 0.00 O ATOM 1352 CB LYS A 85 -3.883 -20.059 -3.522 1.00 0.00 C ATOM 1353 CG LYS A 85 -4.415 -19.169 -4.633 1.00 0.00 C ATOM 1354 CD LYS A 85 -5.178 -19.971 -5.673 1.00 0.00 C ATOM 1355 CE LYS A 85 -5.838 -19.066 -6.701 1.00 0.00 C ATOM 1356 NZ LYS A 85 -6.868 -18.185 -6.085 1.00 0.00 N ATOM 0 H LYS A 85 -1.827 -19.455 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.859 -18.507 -2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.650 -21.041 -3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.666 -20.204 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.069 -18.407 -4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.586 -18.647 -5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.497 -20.658 -6.175 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.937 -20.578 -5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.078 -18.453 -7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.299 -19.675 -7.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.486 -17.801 -6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.438 -18.736 -5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.401 -17.402 -5.585 1.00 0.00 H new ATOM 1370 N ASP A 86 -1.716 -21.576 -1.981 1.00 0.00 N ATOM 1371 CA ASP A 86 -1.297 -22.526 -0.957 1.00 0.00 C ATOM 1372 C ASP A 86 -0.650 -21.805 0.222 1.00 0.00 C ATOM 1373 O ASP A 86 -1.053 -21.984 1.372 1.00 0.00 O ATOM 1374 CB ASP A 86 -0.320 -23.545 -1.546 1.00 0.00 C ATOM 1375 CG ASP A 86 -1.027 -24.694 -2.235 1.00 0.00 C ATOM 1376 OD1 ASP A 86 -1.998 -25.228 -1.657 1.00 0.00 O ATOM 1377 OD2 ASP A 86 -0.612 -25.060 -3.355 1.00 0.00 O ATOM 0 H ASP A 86 -1.568 -21.895 -2.938 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.183 -23.049 -0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.335 -23.045 -2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.314 -23.937 -0.751 1.00 0.00 H new ATOM 1382 N THR A 87 0.358 -20.988 -0.072 1.00 0.00 N ATOM 1383 CA THR A 87 1.062 -20.241 0.963 1.00 0.00 C ATOM 1384 C THR A 87 0.103 -19.358 1.753 1.00 0.00 C ATOM 1385 O THR A 87 -1.080 -19.263 1.426 1.00 0.00 O ATOM 1386 CB THR A 87 2.175 -19.362 0.361 1.00 0.00 C ATOM 1387 OG1 THR A 87 1.601 -18.342 -0.464 1.00 0.00 O ATOM 1388 CG2 THR A 87 3.144 -20.200 -0.459 1.00 0.00 C ATOM 0 H THR A 87 0.704 -20.827 -1.018 1.00 0.00 H new ATOM 0 HA THR A 87 1.510 -20.974 1.633 1.00 0.00 H new ATOM 0 HB THR A 87 2.725 -18.899 1.180 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.441 -18.699 -1.362 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.920 -19.557 -0.873 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.601 -20.956 0.179 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.606 -20.688 -1.271 1.00 0.00 H new ATOM 1396 N ILE A 88 0.621 -18.714 2.794 1.00 0.00 N ATOM 1397 CA ILE A 88 -0.190 -17.838 3.629 1.00 0.00 C ATOM 1398 C ILE A 88 -0.177 -16.408 3.100 1.00 0.00 C ATOM 1399 O ILE A 88 -1.217 -15.863 2.728 1.00 0.00 O ATOM 1400 CB ILE A 88 0.302 -17.838 5.089 1.00 0.00 C ATOM 1401 CG1 ILE A 88 -0.324 -19.001 5.861 1.00 0.00 C ATOM 1402 CG2 ILE A 88 -0.028 -16.512 5.759 1.00 0.00 C ATOM 1403 CD1 ILE A 88 -0.246 -18.841 7.363 1.00 0.00 C ATOM 0 H ILE A 88 1.598 -18.783 3.079 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.208 -18.225 3.597 1.00 0.00 H new ATOM 0 HB ILE A 88 1.385 -17.965 5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.369 -19.100 5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.176 -19.927 5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.326 -16.527 6.790 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.460 -15.700 5.220 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.107 -16.357 5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.709 -19.702 7.845 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.798 -18.772 7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.771 -17.933 7.660 1.00 0.00 H new ATOM 1415 N PHE A 89 1.007 -15.805 3.068 1.00 0.00 N ATOM 1416 CA PHE A 89 1.157 -14.438 2.583 1.00 0.00 C ATOM 1417 C PHE A 89 0.257 -14.188 1.377 1.00 0.00 C ATOM 1418 O PHE A 89 -0.131 -13.052 1.102 1.00 0.00 O ATOM 1419 CB PHE A 89 2.615 -14.163 2.213 1.00 0.00 C ATOM 1420 CG PHE A 89 3.602 -14.899 3.072 1.00 0.00 C ATOM 1421 CD1 PHE A 89 3.477 -14.895 4.452 1.00 0.00 C ATOM 1422 CD2 PHE A 89 4.654 -15.596 2.501 1.00 0.00 C ATOM 1423 CE1 PHE A 89 4.384 -15.572 5.246 1.00 0.00 C ATOM 1424 CE2 PHE A 89 5.563 -16.276 3.289 1.00 0.00 C ATOM 1425 CZ PHE A 89 5.427 -16.264 4.663 1.00 0.00 C ATOM 0 H PHE A 89 1.877 -16.242 3.372 1.00 0.00 H new ATOM 0 HA PHE A 89 0.859 -13.760 3.383 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.775 -14.440 1.171 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.805 -13.093 2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.662 -14.357 4.913 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.765 -15.608 1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.277 -15.560 6.321 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.378 -16.816 2.831 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.136 -16.795 5.281 1.00 0.00 H new ATOM 1435 N TYR A 90 -0.070 -15.256 0.658 1.00 0.00 N ATOM 1436 CA TYR A 90 -0.921 -15.153 -0.521 1.00 0.00 C ATOM 1437 C TYR A 90 -2.352 -14.794 -0.131 1.00 0.00 C ATOM 1438 O TYR A 90 -2.872 -13.751 -0.530 1.00 0.00 O ATOM 1439 CB TYR A 90 -0.909 -16.469 -1.301 1.00 0.00 C ATOM 1440 CG TYR A 90 -1.602 -16.384 -2.642 1.00 0.00 C ATOM 1441 CD1 TYR A 90 -2.974 -16.183 -2.725 1.00 0.00 C ATOM 1442 CD2 TYR A 90 -0.885 -16.505 -3.826 1.00 0.00 C ATOM 1443 CE1 TYR A 90 -3.613 -16.106 -3.948 1.00 0.00 C ATOM 1444 CE2 TYR A 90 -1.514 -16.427 -5.054 1.00 0.00 C ATOM 1445 CZ TYR A 90 -2.878 -16.228 -5.110 1.00 0.00 C ATOM 1446 OH TYR A 90 -3.510 -16.151 -6.330 1.00 0.00 O ATOM 0 H TYR A 90 0.242 -16.203 0.871 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.526 -14.359 -1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.124 -16.781 -1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.390 -17.242 -0.701 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.552 -16.085 -1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.183 -16.663 -3.786 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.681 -15.951 -3.994 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.941 -16.521 -5.965 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.850 -16.255 -7.047 1.00 0.00 H new ATOM 1456 N ARG A 91 -2.981 -15.663 0.652 1.00 0.00 N ATOM 1457 CA ARG A 91 -4.351 -15.439 1.096 1.00 0.00 C ATOM 1458 C ARG A 91 -4.459 -14.140 1.890 1.00 0.00 C ATOM 1459 O ARG A 91 -5.505 -13.491 1.898 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.831 -16.613 1.952 1.00 0.00 C ATOM 1461 CG ARG A 91 -5.105 -17.876 1.152 1.00 0.00 C ATOM 1462 CD ARG A 91 -4.976 -19.121 2.018 1.00 0.00 C ATOM 1463 NE ARG A 91 -6.199 -19.391 2.771 1.00 0.00 N ATOM 1464 CZ ARG A 91 -7.343 -19.762 2.207 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -7.422 -19.905 0.892 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -8.411 -19.990 2.961 1.00 0.00 N ATOM 0 H ARG A 91 -2.564 -16.529 0.992 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.984 -15.359 0.212 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.080 -16.830 2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.740 -16.321 2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.108 -17.829 0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.407 -17.938 0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.741 -19.979 1.388 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.143 -18.997 2.710 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.173 -19.289 3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.603 -19.730 0.310 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.302 -20.190 0.462 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.353 -19.880 3.973 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.290 -20.275 2.528 1.00 0.00 H new ATOM 1480 N ALA A 92 -3.372 -13.766 2.556 1.00 0.00 N ATOM 1481 CA ALA A 92 -3.344 -12.545 3.351 1.00 0.00 C ATOM 1482 C ALA A 92 -3.353 -11.309 2.458 1.00 0.00 C ATOM 1483 O ALA A 92 -3.940 -10.285 2.805 1.00 0.00 O ATOM 1484 CB ALA A 92 -2.124 -12.534 4.260 1.00 0.00 C ATOM 0 H ALA A 92 -2.498 -14.292 2.561 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.242 -12.522 3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.116 -11.616 4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.161 -13.393 4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.219 -12.585 3.655 1.00 0.00 H new ATOM 1490 N ALA A 93 -2.696 -11.411 1.307 1.00 0.00 N ATOM 1491 CA ALA A 93 -2.630 -10.301 0.365 1.00 0.00 C ATOM 1492 C ALA A 93 -3.954 -10.125 -0.370 1.00 0.00 C ATOM 1493 O ALA A 93 -4.359 -9.005 -0.680 1.00 0.00 O ATOM 1494 CB ALA A 93 -1.498 -10.521 -0.629 1.00 0.00 C ATOM 0 H ALA A 93 -2.202 -12.251 1.005 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.434 -9.389 0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.459 -9.685 -1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.551 -10.590 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.672 -11.446 -1.179 1.00 0.00 H new ATOM 1500 N VAL A 94 -4.626 -11.238 -0.646 1.00 0.00 N ATOM 1501 CA VAL A 94 -5.906 -11.206 -1.343 1.00 0.00 C ATOM 1502 C VAL A 94 -6.947 -10.430 -0.545 1.00 0.00 C ATOM 1503 O VAL A 94 -7.729 -9.662 -1.106 1.00 0.00 O ATOM 1504 CB VAL A 94 -6.435 -12.628 -1.612 1.00 0.00 C ATOM 1505 CG1 VAL A 94 -7.884 -12.580 -2.074 1.00 0.00 C ATOM 1506 CG2 VAL A 94 -5.563 -13.335 -2.637 1.00 0.00 C ATOM 0 H VAL A 94 -4.305 -12.174 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.735 -10.704 -2.296 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.394 -13.195 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.241 -13.593 -2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.497 -12.115 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.954 -11.997 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.951 -14.338 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.570 -12.772 -3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.542 -13.402 -2.261 1.00 0.00 H new ATOM 1516 N ARG A 95 -6.953 -10.637 0.768 1.00 0.00 N ATOM 1517 CA ARG A 95 -7.900 -9.958 1.645 1.00 0.00 C ATOM 1518 C ARG A 95 -7.657 -8.451 1.643 1.00 0.00 C ATOM 1519 O ARG A 95 -8.599 -7.660 1.592 1.00 0.00 O ATOM 1520 CB ARG A 95 -7.788 -10.502 3.070 1.00 0.00 C ATOM 1521 CG ARG A 95 -8.649 -9.755 4.076 1.00 0.00 C ATOM 1522 CD ARG A 95 -9.010 -10.636 5.262 1.00 0.00 C ATOM 1523 NE ARG A 95 -9.393 -9.849 6.431 1.00 0.00 N ATOM 1524 CZ ARG A 95 -10.116 -10.330 7.437 1.00 0.00 C ATOM 1525 NH1 ARG A 95 -10.532 -11.588 7.415 1.00 0.00 N ATOM 1526 NH2 ARG A 95 -10.423 -9.551 8.466 1.00 0.00 N ATOM 0 H ARG A 95 -6.313 -11.269 1.248 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.906 -10.147 1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.072 -11.554 3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.747 -10.453 3.388 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.117 -8.871 4.427 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.560 -9.407 3.589 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.831 -11.298 4.986 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.160 -11.270 5.514 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.089 -8.877 6.478 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.297 -12.189 6.625 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.087 -11.955 8.188 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.104 -8.582 8.485 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.978 -9.921 9.238 1.00 0.00 H new ATOM 1540 N LEU A 96 -6.388 -8.062 1.702 1.00 0.00 N ATOM 1541 CA LEU A 96 -6.021 -6.650 1.708 1.00 0.00 C ATOM 1542 C LEU A 96 -6.478 -5.962 0.424 1.00 0.00 C ATOM 1543 O LEU A 96 -7.068 -4.883 0.464 1.00 0.00 O ATOM 1544 CB LEU A 96 -4.507 -6.497 1.870 1.00 0.00 C ATOM 1545 CG LEU A 96 -3.953 -6.758 3.271 1.00 0.00 C ATOM 1546 CD1 LEU A 96 -2.434 -6.814 3.241 1.00 0.00 C ATOM 1547 CD2 LEU A 96 -4.431 -5.687 4.242 1.00 0.00 C ATOM 0 H LEU A 96 -5.597 -8.704 1.746 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.521 -6.174 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.017 -7.178 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.230 -5.485 1.574 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.325 -7.723 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.057 -7.000 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.113 -7.617 2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.042 -5.864 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.027 -5.889 5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.089 -4.709 3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.520 -5.695 4.285 1.00 0.00 H new ATOM 1559 N ARG A 97 -6.203 -6.597 -0.710 1.00 0.00 N ATOM 1560 CA ARG A 97 -6.587 -6.047 -2.004 1.00 0.00 C ATOM 1561 C ARG A 97 -8.105 -5.924 -2.115 1.00 0.00 C ATOM 1562 O ARG A 97 -8.618 -4.963 -2.687 1.00 0.00 O ATOM 1563 CB ARG A 97 -6.053 -6.928 -3.135 1.00 0.00 C ATOM 1564 CG ARG A 97 -6.363 -6.392 -4.524 1.00 0.00 C ATOM 1565 CD ARG A 97 -5.847 -7.324 -5.609 1.00 0.00 C ATOM 1566 NE ARG A 97 -6.281 -6.907 -6.940 1.00 0.00 N ATOM 1567 CZ ARG A 97 -5.676 -5.957 -7.646 1.00 0.00 C ATOM 1568 NH1 ARG A 97 -4.619 -5.329 -7.150 1.00 0.00 N ATOM 1569 NH2 ARG A 97 -6.129 -5.634 -8.850 1.00 0.00 N ATOM 0 H ARG A 97 -5.716 -7.492 -0.759 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.152 -5.051 -2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.973 -7.029 -3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.478 -7.927 -3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.440 -6.265 -4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.912 -5.407 -4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.758 -7.352 -5.575 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.198 -8.337 -5.414 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.092 -7.370 -7.350 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.268 -5.574 -6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.157 -4.600 -7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.942 -6.115 -9.235 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.664 -4.905 -9.391 1.00 0.00 H new ATOM 1583 N GLU A 98 -8.814 -6.903 -1.563 1.00 0.00 N ATOM 1584 CA GLU A 98 -10.271 -6.904 -1.602 1.00 0.00 C ATOM 1585 C GLU A 98 -10.842 -5.852 -0.654 1.00 0.00 C ATOM 1586 O GLU A 98 -11.478 -4.892 -1.087 1.00 0.00 O ATOM 1587 CB GLU A 98 -10.813 -8.287 -1.230 1.00 0.00 C ATOM 1588 CG GLU A 98 -10.652 -9.319 -2.333 1.00 0.00 C ATOM 1589 CD GLU A 98 -11.488 -8.998 -3.558 1.00 0.00 C ATOM 1590 OE1 GLU A 98 -12.703 -8.760 -3.402 1.00 0.00 O ATOM 1591 OE2 GLU A 98 -10.924 -8.985 -4.672 1.00 0.00 O ATOM 0 H GLU A 98 -8.404 -7.705 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.581 -6.660 -2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.300 -8.640 -0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -11.870 -8.198 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.602 -9.379 -2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.934 -10.300 -1.952 1.00 0.00 H new ATOM 1598 N GLN A 99 -10.607 -6.041 0.641 1.00 0.00 N ATOM 1599 CA GLN A 99 -11.098 -5.109 1.649 1.00 0.00 C ATOM 1600 C GLN A 99 -10.445 -3.740 1.489 1.00 0.00 C ATOM 1601 O GLN A 99 -11.130 -2.729 1.336 1.00 0.00 O ATOM 1602 CB GLN A 99 -10.828 -5.655 3.052 1.00 0.00 C ATOM 1603 CG GLN A 99 -11.304 -7.084 3.251 1.00 0.00 C ATOM 1604 CD GLN A 99 -11.480 -7.443 4.714 1.00 0.00 C ATOM 1605 OE1 GLN A 99 -11.557 -6.566 5.574 1.00 0.00 O ATOM 1606 NE2 GLN A 99 -11.544 -8.737 5.003 1.00 0.00 N ATOM 0 H GLN A 99 -10.080 -6.830 1.016 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.173 -4.996 1.511 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.758 -5.606 3.252 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.318 -5.012 3.783 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.251 -7.223 2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.587 -7.768 2.797 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.476 -9.430 4.258 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.662 -9.038 5.970 1.00 0.00 H new ATOM 1615 N GLY A 100 -9.116 -3.715 1.525 1.00 0.00 N ATOM 1616 CA GLY A 100 -8.393 -2.465 1.383 1.00 0.00 C ATOM 1617 C GLY A 100 -9.009 -1.555 0.339 1.00 0.00 C ATOM 1618 O GLY A 100 -9.039 -0.337 0.506 1.00 0.00 O ATOM 0 H GLY A 100 -8.527 -4.539 1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.372 -1.950 2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.358 -2.676 1.112 1.00 0.00 H new ATOM 1622 N GLY A 101 -9.500 -2.148 -0.746 1.00 0.00 N ATOM 1623 CA GLY A 101 -10.109 -1.367 -1.807 1.00 0.00 C ATOM 1624 C GLY A 101 -11.069 -0.320 -1.279 1.00 0.00 C ATOM 1625 O GLY A 101 -11.090 0.812 -1.761 1.00 0.00 O ATOM 0 H GLY A 101 -9.487 -3.155 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.327 -0.878 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.641 -2.034 -2.485 1.00 0.00 H new ATOM 1629 N ALA A 102 -11.866 -0.698 -0.285 1.00 0.00 N ATOM 1630 CA ALA A 102 -12.833 0.217 0.309 1.00 0.00 C ATOM 1631 C ALA A 102 -12.135 1.417 0.942 1.00 0.00 C ATOM 1632 O ALA A 102 -12.633 2.541 0.881 1.00 0.00 O ATOM 1633 CB ALA A 102 -13.680 -0.509 1.343 1.00 0.00 C ATOM 0 H ALA A 102 -11.861 -1.632 0.126 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.484 0.585 -0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.398 0.186 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.214 -1.330 0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.036 -0.905 2.128 1.00 0.00 H new ATOM 1639 N VAL A 103 -10.980 1.170 1.551 1.00 0.00 N ATOM 1640 CA VAL A 103 -10.213 2.230 2.194 1.00 0.00 C ATOM 1641 C VAL A 103 -9.688 3.229 1.169 1.00 0.00 C ATOM 1642 O VAL A 103 -9.787 4.442 1.360 1.00 0.00 O ATOM 1643 CB VAL A 103 -9.027 1.659 2.994 1.00 0.00 C ATOM 1644 CG1 VAL A 103 -8.193 2.784 3.589 1.00 0.00 C ATOM 1645 CG2 VAL A 103 -9.522 0.718 4.081 1.00 0.00 C ATOM 0 H VAL A 103 -10.555 0.245 1.613 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.891 2.740 2.879 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.393 1.090 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.360 2.361 4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.808 3.414 2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.813 3.383 4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.671 0.324 4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.179 1.261 4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.072 -0.106 3.626 1.00 0.00 H new ATOM 1655 N LEU A 104 -9.127 2.712 0.081 1.00 0.00 N ATOM 1656 CA LEU A 104 -8.586 3.558 -0.976 1.00 0.00 C ATOM 1657 C LEU A 104 -9.706 4.232 -1.761 1.00 0.00 C ATOM 1658 O LEU A 104 -9.511 5.294 -2.353 1.00 0.00 O ATOM 1659 CB LEU A 104 -7.711 2.732 -1.920 1.00 0.00 C ATOM 1660 CG LEU A 104 -6.432 2.152 -1.316 1.00 0.00 C ATOM 1661 CD1 LEU A 104 -5.785 1.169 -2.277 1.00 0.00 C ATOM 1662 CD2 LEU A 104 -5.460 3.267 -0.955 1.00 0.00 C ATOM 0 H LEU A 104 -9.035 1.711 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.977 4.333 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.310 1.909 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.436 3.358 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.695 1.616 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.876 0.767 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.478 0.354 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.536 1.680 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.555 2.836 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.204 3.831 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.924 3.933 -0.228 1.00 0.00 H new ATOM 1674 N ARG A 105 -10.880 3.610 -1.761 1.00 0.00 N ATOM 1675 CA ARG A 105 -12.032 4.150 -2.473 1.00 0.00 C ATOM 1676 C ARG A 105 -12.695 5.263 -1.668 1.00 0.00 C ATOM 1677 O ARG A 105 -13.237 6.212 -2.234 1.00 0.00 O ATOM 1678 CB ARG A 105 -13.046 3.041 -2.762 1.00 0.00 C ATOM 1679 CG ARG A 105 -12.788 2.304 -4.066 1.00 0.00 C ATOM 1680 CD ARG A 105 -14.051 1.640 -4.590 1.00 0.00 C ATOM 1681 NE ARG A 105 -13.838 1.005 -5.887 1.00 0.00 N ATOM 1682 CZ ARG A 105 -14.705 0.170 -6.448 1.00 0.00 C ATOM 1683 NH1 ARG A 105 -15.839 -0.128 -5.830 1.00 0.00 N ATOM 1684 NH2 ARG A 105 -14.440 -0.369 -7.632 1.00 0.00 N ATOM 0 H ARG A 105 -11.059 2.731 -1.276 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.681 4.567 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.032 2.325 -1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -14.046 3.473 -2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.407 3.003 -4.811 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.016 1.550 -3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.392 0.894 -3.873 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.843 2.384 -4.677 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.976 1.214 -6.390 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -16.048 0.284 -4.921 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -16.503 -0.770 -6.264 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.569 -0.142 -8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.107 -1.010 -8.061 1.00 0.00 H new ATOM 1698 N GLN A 106 -12.648 5.138 -0.345 1.00 0.00 N ATOM 1699 CA GLN A 106 -13.246 6.134 0.537 1.00 0.00 C ATOM 1700 C GLN A 106 -12.318 7.331 0.714 1.00 0.00 C ATOM 1701 O GLN A 106 -12.774 8.463 0.873 1.00 0.00 O ATOM 1702 CB GLN A 106 -13.565 5.514 1.898 1.00 0.00 C ATOM 1703 CG GLN A 106 -12.347 5.354 2.794 1.00 0.00 C ATOM 1704 CD GLN A 106 -12.715 5.118 4.245 1.00 0.00 C ATOM 1705 OE1 GLN A 106 -13.392 4.143 4.574 1.00 0.00 O ATOM 1706 NE2 GLN A 106 -12.271 6.011 5.122 1.00 0.00 N ATOM 0 H GLN A 106 -12.203 4.358 0.139 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.172 6.481 0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.301 6.135 2.407 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -14.024 4.537 1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -11.745 4.519 2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.728 6.248 2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.713 6.804 4.805 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.488 5.904 6.113 1.00 0.00 H new ATOM 1715 N ALA A 107 -11.015 7.072 0.686 1.00 0.00 N ATOM 1716 CA ALA A 107 -10.023 8.129 0.843 1.00 0.00 C ATOM 1717 C ALA A 107 -9.771 8.845 -0.480 1.00 0.00 C ATOM 1718 O ALA A 107 -9.358 10.005 -0.501 1.00 0.00 O ATOM 1719 CB ALA A 107 -8.726 7.557 1.392 1.00 0.00 C ATOM 0 H ALA A 107 -10.622 6.140 0.556 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.414 8.859 1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.994 8.357 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -8.913 7.098 2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.339 6.806 0.703 1.00 0.00 H new ATOM 1725 N ARG A 108 -10.021 8.147 -1.583 1.00 0.00 N ATOM 1726 CA ARG A 108 -9.819 8.715 -2.910 1.00 0.00 C ATOM 1727 C ARG A 108 -10.703 9.942 -3.117 1.00 0.00 C ATOM 1728 O ARG A 108 -10.240 10.983 -3.583 1.00 0.00 O ATOM 1729 CB ARG A 108 -10.117 7.670 -3.987 1.00 0.00 C ATOM 1730 CG ARG A 108 -10.125 8.236 -5.398 1.00 0.00 C ATOM 1731 CD ARG A 108 -8.721 8.313 -5.975 1.00 0.00 C ATOM 1732 NE ARG A 108 -8.350 7.088 -6.679 1.00 0.00 N ATOM 1733 CZ ARG A 108 -8.873 6.724 -7.845 1.00 0.00 C ATOM 1734 NH1 ARG A 108 -9.783 7.487 -8.434 1.00 0.00 N ATOM 1735 NH2 ARG A 108 -8.484 5.595 -8.424 1.00 0.00 N ATOM 0 H ARG A 108 -10.364 7.186 -1.584 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.776 9.022 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.373 6.876 -3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.086 7.215 -3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.749 7.612 -6.038 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.571 9.230 -5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -8.657 9.158 -6.660 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.009 8.499 -5.171 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.652 6.479 -6.252 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.083 8.356 -7.992 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.183 7.205 -9.329 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.783 5.006 -7.974 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.886 5.316 -9.319 1.00 0.00 H new ATOM 1749 N ARG A 109 -11.978 9.810 -2.767 1.00 0.00 N ATOM 1750 CA ARG A 109 -12.929 10.906 -2.916 1.00 0.00 C ATOM 1751 C ARG A 109 -12.470 12.133 -2.133 1.00 0.00 C ATOM 1752 O ARG A 109 -12.705 13.268 -2.547 1.00 0.00 O ATOM 1753 CB ARG A 109 -14.317 10.474 -2.442 1.00 0.00 C ATOM 1754 CG ARG A 109 -14.462 10.444 -0.929 1.00 0.00 C ATOM 1755 CD ARG A 109 -15.599 9.533 -0.495 1.00 0.00 C ATOM 1756 NE ARG A 109 -15.931 9.704 0.916 1.00 0.00 N ATOM 1757 CZ ARG A 109 -16.916 9.053 1.524 1.00 0.00 C ATOM 1758 NH1 ARG A 109 -17.661 8.190 0.848 1.00 0.00 N ATOM 1759 NH2 ARG A 109 -17.156 9.263 2.813 1.00 0.00 N ATOM 0 H ARG A 109 -12.377 8.955 -2.378 1.00 0.00 H new ATOM 0 HA ARG A 109 -12.980 11.169 -3.973 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -15.061 11.154 -2.856 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -14.535 9.483 -2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.529 10.102 -0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.642 11.454 -0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -16.480 9.740 -1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -15.322 8.495 -0.679 1.00 0.00 H new ATOM 0 HE ARG A 109 -15.376 10.360 1.466 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -17.478 8.024 -0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -18.417 7.691 1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -16.584 9.925 3.337 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -17.913 8.762 3.279 1.00 0.00 H new ATOM 1773 N GLN A 110 -11.816 11.895 -1.000 1.00 0.00 N ATOM 1774 CA GLN A 110 -11.326 12.981 -0.159 1.00 0.00 C ATOM 1775 C GLN A 110 -10.206 13.746 -0.857 1.00 0.00 C ATOM 1776 O GLN A 110 -10.260 14.970 -0.979 1.00 0.00 O ATOM 1777 CB GLN A 110 -10.829 12.432 1.179 1.00 0.00 C ATOM 1778 CG GLN A 110 -11.883 11.648 1.944 1.00 0.00 C ATOM 1779 CD GLN A 110 -11.638 11.645 3.440 1.00 0.00 C ATOM 1780 OE1 GLN A 110 -11.544 10.588 4.064 1.00 0.00 O ATOM 1781 NE2 GLN A 110 -11.533 12.833 4.025 1.00 0.00 N ATOM 0 H GLN A 110 -11.614 10.961 -0.644 1.00 0.00 H new ATOM 0 HA GLN A 110 -12.152 13.669 0.023 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.968 11.788 1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.485 13.261 1.797 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.865 12.075 1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.901 10.620 1.581 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -11.617 13.684 3.469 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.368 12.894 5.030 1.00 0.00 H new ATOM 1790 N ALA A 111 -9.192 13.018 -1.309 1.00 0.00 N ATOM 1791 CA ALA A 111 -8.059 13.628 -1.996 1.00 0.00 C ATOM 1792 C ALA A 111 -8.520 14.432 -3.207 1.00 0.00 C ATOM 1793 O ALA A 111 -7.764 15.236 -3.752 1.00 0.00 O ATOM 1794 CB ALA A 111 -7.060 12.561 -2.416 1.00 0.00 C ATOM 0 H ALA A 111 -9.131 12.004 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.571 14.313 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.220 13.030 -2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.699 12.033 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.545 11.853 -3.089 1.00 0.00 H new ATOM 1800 N GLU A 112 -9.762 14.208 -3.623 1.00 0.00 N ATOM 1801 CA GLU A 112 -10.321 14.912 -4.771 1.00 0.00 C ATOM 1802 C GLU A 112 -11.230 16.053 -4.321 1.00 0.00 C ATOM 1803 O GLU A 112 -11.219 17.137 -4.903 1.00 0.00 O ATOM 1804 CB GLU A 112 -11.103 13.943 -5.660 1.00 0.00 C ATOM 1805 CG GLU A 112 -10.248 12.836 -6.253 1.00 0.00 C ATOM 1806 CD GLU A 112 -10.775 12.342 -7.587 1.00 0.00 C ATOM 1807 OE1 GLU A 112 -10.456 12.971 -8.618 1.00 0.00 O ATOM 1808 OE2 GLU A 112 -11.504 11.330 -7.599 1.00 0.00 O ATOM 0 H GLU A 112 -10.400 13.545 -3.183 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.495 15.333 -5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.907 13.496 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.570 14.503 -6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.228 13.199 -6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.204 12.002 -5.553 1.00 0.00 H new ATOM 1815 N LYS A 113 -12.015 15.799 -3.280 1.00 0.00 N ATOM 1816 CA LYS A 113 -12.930 16.803 -2.749 1.00 0.00 C ATOM 1817 C LYS A 113 -12.164 18.002 -2.200 1.00 0.00 C ATOM 1818 O LYS A 113 -12.706 19.101 -2.092 1.00 0.00 O ATOM 1819 CB LYS A 113 -13.804 16.195 -1.649 1.00 0.00 C ATOM 1820 CG LYS A 113 -13.169 16.246 -0.270 1.00 0.00 C ATOM 1821 CD LYS A 113 -13.995 15.485 0.753 1.00 0.00 C ATOM 1822 CE LYS A 113 -15.138 16.333 1.289 1.00 0.00 C ATOM 1823 NZ LYS A 113 -14.643 17.551 1.990 1.00 0.00 N ATOM 0 H LYS A 113 -12.036 14.906 -2.787 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.568 17.145 -3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.757 16.723 -1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -14.022 15.157 -1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.165 15.824 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -13.064 17.284 0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.395 14.579 0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -13.355 15.171 1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.789 16.627 0.466 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -15.741 15.738 1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -15.361 17.877 2.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -13.764 17.326 2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -14.458 18.301 1.294 1.00 0.00 H new ATOM 1837 N MET A 114 -10.900 17.782 -1.855 1.00 0.00 N ATOM 1838 CA MET A 114 -10.058 18.847 -1.320 1.00 0.00 C ATOM 1839 C MET A 114 -10.204 20.121 -2.144 1.00 0.00 C ATOM 1840 O MET A 114 -10.269 21.221 -1.596 1.00 0.00 O ATOM 1841 CB MET A 114 -8.593 18.405 -1.297 1.00 0.00 C ATOM 1842 CG MET A 114 -8.373 17.061 -0.622 1.00 0.00 C ATOM 1843 SD MET A 114 -6.722 16.899 0.084 1.00 0.00 S ATOM 1844 CE MET A 114 -6.973 15.542 1.226 1.00 0.00 C ATOM 0 H MET A 114 -10.436 16.877 -1.936 1.00 0.00 H new ATOM 0 HA MET A 114 -10.383 19.056 -0.301 1.00 0.00 H new ATOM 0 HB2 MET A 114 -8.222 18.353 -2.321 1.00 0.00 H new ATOM 0 HB3 MET A 114 -8.002 19.162 -0.782 1.00 0.00 H new ATOM 0 HG2 MET A 114 -9.115 16.929 0.165 1.00 0.00 H new ATOM 0 HG3 MET A 114 -8.533 16.264 -1.348 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.697 15.857 2.232 1.00 0.00 H new ATOM 0 HE2 MET A 114 -8.022 15.245 1.214 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.353 14.696 0.928 1.00 0.00 H new ATOM 1854 N GLY A 115 -10.255 19.966 -3.464 1.00 0.00 N ATOM 1855 CA GLY A 115 -10.392 21.114 -4.341 1.00 0.00 C ATOM 1856 C GLY A 115 -11.795 21.252 -4.898 1.00 0.00 C ATOM 1857 O GLY A 115 -12.207 20.475 -5.760 1.00 0.00 O ATOM 0 H GLY A 115 -10.204 19.066 -3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -10.131 22.019 -3.793 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -9.684 21.025 -5.165 1.00 0.00 H new ATOM 1861 N SER A 116 -12.531 22.244 -4.406 1.00 0.00 N ATOM 1862 CA SER A 116 -13.898 22.477 -4.856 1.00 0.00 C ATOM 1863 C SER A 116 -13.929 22.812 -6.345 1.00 0.00 C ATOM 1864 O SER A 116 -13.877 23.978 -6.732 1.00 0.00 O ATOM 1865 CB SER A 116 -14.535 23.614 -4.054 1.00 0.00 C ATOM 1866 OG SER A 116 -15.927 23.696 -4.303 1.00 0.00 O ATOM 0 H SER A 116 -12.203 22.899 -3.696 1.00 0.00 H new ATOM 0 HA SER A 116 -14.469 21.563 -4.693 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.362 23.454 -2.990 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.059 24.559 -4.316 1.00 0.00 H new ATOM 0 HG SER A 116 -16.311 24.429 -3.778 1.00 0.00 H new ATOM 1872 N GLY A 117 -14.016 21.777 -7.176 1.00 0.00 N ATOM 1873 CA GLY A 117 -14.052 21.981 -8.612 1.00 0.00 C ATOM 1874 C GLY A 117 -14.394 20.712 -9.369 1.00 0.00 C ATOM 1875 O GLY A 117 -15.549 20.464 -9.718 1.00 0.00 O ATOM 0 H GLY A 117 -14.062 20.802 -6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -14.787 22.751 -8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -13.083 22.351 -8.948 1.00 0.00 H new ATOM 1879 N PRO A 118 -13.374 19.884 -9.635 1.00 0.00 N ATOM 1880 CA PRO A 118 -13.547 18.620 -10.359 1.00 0.00 C ATOM 1881 C PRO A 118 -14.305 17.582 -9.539 1.00 0.00 C ATOM 1882 O PRO A 118 -14.633 16.504 -10.036 1.00 0.00 O ATOM 1883 CB PRO A 118 -12.111 18.156 -10.612 1.00 0.00 C ATOM 1884 CG PRO A 118 -11.310 18.794 -9.530 1.00 0.00 C ATOM 1885 CD PRO A 118 -11.972 20.115 -9.248 1.00 0.00 C ATOM 0 HA PRO A 118 -14.134 18.749 -11.268 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -12.034 17.069 -10.574 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -11.763 18.466 -11.597 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -11.292 18.168 -8.638 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -10.275 18.935 -9.842 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -11.886 20.391 -8.197 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -11.523 20.921 -9.828 1.00 0.00 H new ATOM 1893 N SER A 119 -14.582 17.914 -8.281 1.00 0.00 N ATOM 1894 CA SER A 119 -15.299 17.008 -7.393 1.00 0.00 C ATOM 1895 C SER A 119 -16.168 17.787 -6.410 1.00 0.00 C ATOM 1896 O SER A 119 -15.678 18.643 -5.674 1.00 0.00 O ATOM 1897 CB SER A 119 -14.313 16.123 -6.629 1.00 0.00 C ATOM 1898 OG SER A 119 -14.993 15.237 -5.755 1.00 0.00 O ATOM 0 H SER A 119 -14.321 18.803 -7.855 1.00 0.00 H new ATOM 0 HA SER A 119 -15.946 16.377 -8.002 1.00 0.00 H new ATOM 0 HB2 SER A 119 -13.711 15.551 -7.335 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.627 16.748 -6.057 1.00 0.00 H new ATOM 0 HG SER A 119 -14.340 14.681 -5.280 1.00 0.00 H new ATOM 1904 N SER A 120 -17.462 17.481 -6.403 1.00 0.00 N ATOM 1905 CA SER A 120 -18.401 18.155 -5.513 1.00 0.00 C ATOM 1906 C SER A 120 -18.237 17.665 -4.078 1.00 0.00 C ATOM 1907 O SER A 120 -17.483 16.730 -3.812 1.00 0.00 O ATOM 1908 CB SER A 120 -19.838 17.920 -5.983 1.00 0.00 C ATOM 1909 OG SER A 120 -20.186 16.549 -5.894 1.00 0.00 O ATOM 0 H SER A 120 -17.884 16.772 -7.003 1.00 0.00 H new ATOM 0 HA SER A 120 -18.187 19.223 -5.540 1.00 0.00 H new ATOM 0 HB2 SER A 120 -20.524 18.512 -5.377 1.00 0.00 H new ATOM 0 HB3 SER A 120 -19.947 18.260 -7.013 1.00 0.00 H new ATOM 0 HG SER A 120 -21.109 16.425 -6.198 1.00 0.00 H new ATOM 1915 N GLY A 121 -18.948 18.307 -3.156 1.00 0.00 N ATOM 1916 CA GLY A 121 -18.867 17.923 -1.758 1.00 0.00 C ATOM 1917 C GLY A 121 -19.518 18.939 -0.840 1.00 0.00 C ATOM 1918 O GLY A 121 -20.716 18.863 -0.569 1.00 0.00 O ATOM 0 H GLY A 121 -19.578 19.085 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -19.348 16.954 -1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -17.821 17.802 -1.477 1.00 0.00 H new TER 1922 GLY A 121