USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 681 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 109 TYR OH : rot 59:sc= -0.781 USER MOD Set 1.2: A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 104 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 107 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Set 3.1: A 102 TYR OH : rot 85:sc= -2.78! USER MOD Set 3.2: A 106 GLN : amide:sc= -6.48! C(o=-9.3!,f=-9.5!) USER MOD Set 4.1: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 100 THR OG1 : rot 99:sc= 1.19 USER MOD Set 5.1: A 40 GLN : amide:sc= 0.864 K(o=-2,f=-6.2) USER MOD Set 5.2: A 72 CYS SG : rot -41:sc= -2.83 USER MOD Set 6.1: A 28 LYS NZ :NH3+ 177:sc= 0.17 (180deg=0.167) USER MOD Set 6.2: A 32 ASN : amide:sc= 1.17 K(o=1.3,f=-0.3) USER MOD Set 7.1: A 27 THR OG1 : rot -146:sc= -2.3! USER MOD Set 7.2: A 88 ASN : amide:sc= -1.13 K(o=-3.4,f=-5!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.73 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 69:sc= 1.29 USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= 1.24 (180deg=0.908) USER MOD Single : A 48 CYS SG : rot -53:sc= -10.4! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 154:sc= 1.18 (180deg=0.338) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -4.39! (180deg=-4.82!) USER MOD Single : A 66 THR OG1 : rot -56:sc= 0.882 USER MOD Single : A 71 ASN : amide:sc= -2.14 K(o=-2.1,f=-3.2!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 81:sc= 1.18 USER MOD Single : A 78 LYS NZ :NH3+ -156:sc= -0.0449 (180deg=-0.291) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -4.62! K(o=-4.6!,f=-2.2) USER MOD Single : A 86 HIS : no HD1:sc= -2.73! K(o=-2.7!,f=-1.4) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 83:sc= 0.163 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -1.89 K(o=-1.9,f=-2.7!) USER MOD Single : A 111 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.2!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -20.375 4.705 -0.361 1.00 0.00 N ATOM 71 CA THR A 27 -19.272 4.837 -1.291 1.00 0.00 C ATOM 72 C THR A 27 -18.242 5.811 -0.729 1.00 0.00 C ATOM 73 O THR A 27 -17.044 5.677 -0.977 1.00 0.00 O ATOM 74 CB THR A 27 -19.791 5.294 -2.659 1.00 0.00 C ATOM 75 OG1 THR A 27 -19.823 4.208 -3.568 1.00 0.00 O ATOM 76 CG2 THR A 27 -18.965 6.388 -3.289 1.00 0.00 C ATOM 0 HA THR A 27 -18.787 3.870 -1.426 1.00 0.00 H new ATOM 0 HB THR A 27 -20.789 5.687 -2.466 1.00 0.00 H new ATOM 0 HG1 THR A 27 -19.619 4.531 -4.471 1.00 0.00 H new ATOM 0 HG21 THR A 27 -19.394 6.658 -4.254 1.00 0.00 H new ATOM 0 HG22 THR A 27 -18.960 7.261 -2.637 1.00 0.00 H new ATOM 0 HG23 THR A 27 -17.943 6.036 -3.432 1.00 0.00 H new ATOM 84 N LYS A 28 -18.716 6.780 0.051 1.00 0.00 N ATOM 85 CA LYS A 28 -17.829 7.755 0.667 1.00 0.00 C ATOM 86 C LYS A 28 -16.891 7.045 1.631 1.00 0.00 C ATOM 87 O LYS A 28 -15.714 7.387 1.739 1.00 0.00 O ATOM 88 CB LYS A 28 -18.633 8.825 1.408 1.00 0.00 C ATOM 89 CG LYS A 28 -18.995 10.024 0.546 1.00 0.00 C ATOM 90 CD LYS A 28 -17.757 10.771 0.071 1.00 0.00 C ATOM 91 CE LYS A 28 -16.909 11.254 1.239 1.00 0.00 C ATOM 92 NZ LYS A 28 -15.593 10.560 1.295 1.00 0.00 N ATOM 0 H LYS A 28 -19.704 6.908 0.269 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.247 8.246 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -19.548 8.377 1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.058 9.168 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.572 9.691 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.633 10.701 1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.160 10.119 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.058 11.624 -0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.749 12.329 1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.447 11.087 2.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.026 10.953 2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.743 9.543 1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.089 10.698 0.396 1.00 0.00 H new ATOM 106 N GLU A 29 -17.424 6.036 2.315 1.00 0.00 N ATOM 107 CA GLU A 29 -16.637 5.252 3.255 1.00 0.00 C ATOM 108 C GLU A 29 -15.525 4.525 2.514 1.00 0.00 C ATOM 109 O GLU A 29 -14.428 4.342 3.037 1.00 0.00 O ATOM 110 CB GLU A 29 -17.527 4.243 3.981 1.00 0.00 C ATOM 111 CG GLU A 29 -18.067 4.751 5.308 1.00 0.00 C ATOM 112 CD GLU A 29 -17.161 4.412 6.475 1.00 0.00 C ATOM 113 OE1 GLU A 29 -17.046 3.214 6.809 1.00 0.00 O ATOM 114 OE2 GLU A 29 -16.566 5.345 7.056 1.00 0.00 O ATOM 0 H GLU A 29 -18.398 5.744 2.234 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.198 5.924 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -18.364 3.979 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -16.959 3.329 4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -18.194 5.832 5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -19.054 4.322 5.482 1.00 0.00 H new ATOM 121 N LEU A 30 -15.820 4.120 1.284 1.00 0.00 N ATOM 122 CA LEU A 30 -14.847 3.422 0.456 1.00 0.00 C ATOM 123 C LEU A 30 -13.671 4.338 0.140 1.00 0.00 C ATOM 124 O LEU A 30 -12.513 3.975 0.345 1.00 0.00 O ATOM 125 CB LEU A 30 -15.508 2.932 -0.836 1.00 0.00 C ATOM 126 CG LEU A 30 -14.563 2.708 -2.019 1.00 0.00 C ATOM 127 CD1 LEU A 30 -13.625 1.548 -1.733 1.00 0.00 C ATOM 128 CD2 LEU A 30 -15.352 2.458 -3.295 1.00 0.00 C ATOM 0 H LEU A 30 -16.726 4.264 0.839 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.474 2.557 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.026 1.996 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.267 3.657 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.965 3.609 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.959 1.401 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.035 1.768 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.207 0.642 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.662 2.301 -4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.976 1.573 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.984 3.320 -3.507 1.00 0.00 H new ATOM 140 N SER A 31 -13.981 5.533 -0.354 1.00 0.00 N ATOM 141 CA SER A 31 -12.951 6.510 -0.691 1.00 0.00 C ATOM 142 C SER A 31 -12.049 6.765 0.513 1.00 0.00 C ATOM 143 O SER A 31 -10.891 7.149 0.361 1.00 0.00 O ATOM 144 CB SER A 31 -13.592 7.820 -1.151 1.00 0.00 C ATOM 145 OG SER A 31 -14.066 7.717 -2.482 1.00 0.00 O ATOM 0 H SER A 31 -14.935 5.848 -0.530 1.00 0.00 H new ATOM 0 HA SER A 31 -12.347 6.109 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.417 8.077 -0.487 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.864 8.628 -1.083 1.00 0.00 H new ATOM 0 HG SER A 31 -14.473 8.567 -2.751 1.00 0.00 H new ATOM 151 N ASN A 32 -12.585 6.535 1.712 1.00 0.00 N ATOM 152 CA ASN A 32 -11.817 6.724 2.935 1.00 0.00 C ATOM 153 C ASN A 32 -10.766 5.628 3.057 1.00 0.00 C ATOM 154 O ASN A 32 -9.638 5.879 3.482 1.00 0.00 O ATOM 155 CB ASN A 32 -12.735 6.723 4.160 1.00 0.00 C ATOM 156 CG ASN A 32 -13.343 8.086 4.428 1.00 0.00 C ATOM 157 OD1 ASN A 32 -12.820 8.865 5.226 1.00 0.00 O ATOM 158 ND2 ASN A 32 -14.453 8.382 3.762 1.00 0.00 N ATOM 0 H ASN A 32 -13.544 6.219 1.858 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.319 7.692 2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -13.533 5.995 4.012 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -12.169 6.402 5.035 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.906 9.285 3.902 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.852 7.707 3.110 1.00 0.00 H new ATOM 165 N LEU A 33 -11.135 4.416 2.647 1.00 0.00 N ATOM 166 CA LEU A 33 -10.209 3.291 2.677 1.00 0.00 C ATOM 167 C LEU A 33 -9.185 3.473 1.572 1.00 0.00 C ATOM 168 O LEU A 33 -7.989 3.258 1.765 1.00 0.00 O ATOM 169 CB LEU A 33 -10.946 1.960 2.490 1.00 0.00 C ATOM 170 CG LEU A 33 -12.351 1.891 3.093 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.134 0.741 2.480 1.00 0.00 C ATOM 172 CD2 LEU A 33 -12.275 1.746 4.605 1.00 0.00 C ATOM 0 H LEU A 33 -12.064 4.191 2.292 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.716 3.265 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.018 1.752 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.342 1.166 2.930 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.873 2.821 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.131 0.705 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.217 0.890 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.616 -0.198 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.283 1.699 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.737 0.832 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.751 2.603 5.027 1.00 0.00 H new ATOM 184 N ILE A 34 -9.675 3.899 0.416 1.00 0.00 N ATOM 185 CA ILE A 34 -8.827 4.152 -0.733 1.00 0.00 C ATOM 186 C ILE A 34 -7.905 5.329 -0.442 1.00 0.00 C ATOM 187 O ILE A 34 -6.708 5.281 -0.724 1.00 0.00 O ATOM 188 CB ILE A 34 -9.682 4.451 -1.983 1.00 0.00 C ATOM 189 CG1 ILE A 34 -10.338 3.171 -2.494 1.00 0.00 C ATOM 190 CG2 ILE A 34 -8.853 5.101 -3.081 1.00 0.00 C ATOM 191 CD1 ILE A 34 -11.289 3.400 -3.647 1.00 0.00 C ATOM 0 H ILE A 34 -10.666 4.077 0.252 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.228 3.262 -0.928 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.462 5.156 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.561 2.474 -2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.880 2.698 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.486 5.298 -3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.436 6.039 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.042 4.432 -3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.718 2.448 -3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.087 4.072 -3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.748 3.845 -4.482 1.00 0.00 H new ATOM 203 N GLU A 35 -8.473 6.385 0.134 1.00 0.00 N ATOM 204 CA GLU A 35 -7.704 7.572 0.476 1.00 0.00 C ATOM 205 C GLU A 35 -6.514 7.191 1.344 1.00 0.00 C ATOM 206 O GLU A 35 -5.432 7.770 1.230 1.00 0.00 O ATOM 207 CB GLU A 35 -8.583 8.588 1.208 1.00 0.00 C ATOM 208 CG GLU A 35 -9.324 9.534 0.277 1.00 0.00 C ATOM 209 CD GLU A 35 -8.512 10.768 -0.067 1.00 0.00 C ATOM 210 OE1 GLU A 35 -7.512 10.634 -0.803 1.00 0.00 O ATOM 211 OE2 GLU A 35 -8.876 11.867 0.401 1.00 0.00 O ATOM 0 H GLU A 35 -9.463 6.440 0.373 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.341 8.027 -0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.308 8.053 1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.961 9.172 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.583 9.006 -0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.261 9.838 0.744 1.00 0.00 H new ATOM 218 N THR A 36 -6.714 6.188 2.194 1.00 0.00 N ATOM 219 CA THR A 36 -5.649 5.710 3.059 1.00 0.00 C ATOM 220 C THR A 36 -4.695 4.857 2.237 1.00 0.00 C ATOM 221 O THR A 36 -3.478 4.919 2.409 1.00 0.00 O ATOM 222 CB THR A 36 -6.226 4.921 4.244 1.00 0.00 C ATOM 223 OG1 THR A 36 -5.620 5.331 5.457 1.00 0.00 O ATOM 224 CG2 THR A 36 -6.051 3.420 4.135 1.00 0.00 C ATOM 0 H THR A 36 -7.601 5.695 2.300 1.00 0.00 H new ATOM 0 HA THR A 36 -5.102 6.557 3.473 1.00 0.00 H new ATOM 0 HB THR A 36 -7.294 5.139 4.229 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.000 4.820 6.202 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.485 2.938 5.011 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.552 3.060 3.237 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.989 3.181 4.079 1.00 0.00 H new ATOM 232 N PHE A 37 -5.264 4.082 1.318 1.00 0.00 N ATOM 233 CA PHE A 37 -4.472 3.239 0.440 1.00 0.00 C ATOM 234 C PHE A 37 -3.567 4.115 -0.408 1.00 0.00 C ATOM 235 O PHE A 37 -2.391 3.815 -0.598 1.00 0.00 O ATOM 236 CB PHE A 37 -5.378 2.394 -0.456 1.00 0.00 C ATOM 237 CG PHE A 37 -4.713 1.167 -1.022 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.651 0.548 -0.369 1.00 0.00 C ATOM 239 CD2 PHE A 37 -5.151 0.637 -2.223 1.00 0.00 C ATOM 240 CE1 PHE A 37 -3.049 -0.572 -0.909 1.00 0.00 C ATOM 241 CE2 PHE A 37 -4.550 -0.480 -2.765 1.00 0.00 C ATOM 242 CZ PHE A 37 -3.498 -1.085 -2.108 1.00 0.00 C ATOM 0 H PHE A 37 -6.271 4.023 1.165 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.866 2.563 1.043 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.254 2.088 0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.736 3.013 -1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.294 0.947 0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.974 1.104 -2.743 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.227 -1.046 -0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.903 -0.881 -3.704 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.027 -1.959 -2.532 1.00 0.00 H new ATOM 252 N ALA A 38 -4.127 5.219 -0.896 1.00 0.00 N ATOM 253 CA ALA A 38 -3.370 6.165 -1.701 1.00 0.00 C ATOM 254 C ALA A 38 -2.155 6.648 -0.921 1.00 0.00 C ATOM 255 O ALA A 38 -1.073 6.827 -1.479 1.00 0.00 O ATOM 256 CB ALA A 38 -4.246 7.340 -2.110 1.00 0.00 C ATOM 0 H ALA A 38 -5.102 5.478 -0.746 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.031 5.665 -2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.662 8.037 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.092 6.977 -2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.612 7.849 -1.218 1.00 0.00 H new ATOM 262 N GLU A 39 -2.339 6.824 0.386 1.00 0.00 N ATOM 263 CA GLU A 39 -1.257 7.249 1.256 1.00 0.00 C ATOM 264 C GLU A 39 -0.345 6.056 1.517 1.00 0.00 C ATOM 265 O GLU A 39 0.880 6.172 1.491 1.00 0.00 O ATOM 266 CB GLU A 39 -1.834 7.817 2.564 1.00 0.00 C ATOM 267 CG GLU A 39 -1.041 7.475 3.818 1.00 0.00 C ATOM 268 CD GLU A 39 0.174 8.363 4.001 1.00 0.00 C ATOM 269 OE1 GLU A 39 1.021 8.408 3.084 1.00 0.00 O ATOM 270 OE2 GLU A 39 0.279 9.015 5.062 1.00 0.00 O ATOM 0 H GLU A 39 -3.230 6.677 0.861 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.673 8.039 0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.896 8.902 2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.853 7.449 2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.689 7.568 4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.721 6.434 3.768 1.00 0.00 H new ATOM 277 N GLN A 40 -0.968 4.903 1.746 1.00 0.00 N ATOM 278 CA GLN A 40 -0.240 3.669 1.987 1.00 0.00 C ATOM 279 C GLN A 40 0.631 3.338 0.782 1.00 0.00 C ATOM 280 O GLN A 40 1.746 2.836 0.925 1.00 0.00 O ATOM 281 CB GLN A 40 -1.220 2.525 2.256 1.00 0.00 C ATOM 282 CG GLN A 40 -2.006 2.685 3.548 1.00 0.00 C ATOM 283 CD GLN A 40 -1.272 2.127 4.749 1.00 0.00 C ATOM 284 OE1 GLN A 40 -0.105 1.745 4.658 1.00 0.00 O ATOM 285 NE2 GLN A 40 -1.955 2.078 5.886 1.00 0.00 N ATOM 0 H GLN A 40 -1.983 4.802 1.769 1.00 0.00 H new ATOM 0 HA GLN A 40 0.398 3.798 2.861 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.919 2.453 1.422 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.668 1.586 2.291 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.215 3.742 3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.968 2.182 3.449 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.921 2.406 5.915 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.514 1.713 6.730 1.00 0.00 H new ATOM 294 N SER A 41 0.115 3.641 -0.407 1.00 0.00 N ATOM 295 CA SER A 41 0.846 3.396 -1.642 1.00 0.00 C ATOM 296 C SER A 41 2.112 4.237 -1.660 1.00 0.00 C ATOM 297 O SER A 41 3.209 3.724 -1.871 1.00 0.00 O ATOM 298 CB SER A 41 -0.024 3.725 -2.856 1.00 0.00 C ATOM 299 OG SER A 41 -1.221 2.967 -2.847 1.00 0.00 O ATOM 0 H SER A 41 -0.807 4.057 -0.538 1.00 0.00 H new ATOM 0 HA SER A 41 1.114 2.341 -1.690 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.263 4.788 -2.858 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.532 3.522 -3.771 1.00 0.00 H new ATOM 0 HG SER A 41 -1.796 3.272 -2.115 1.00 0.00 H new ATOM 305 N ARG A 42 1.955 5.531 -1.404 1.00 0.00 N ATOM 306 CA ARG A 42 3.097 6.432 -1.358 1.00 0.00 C ATOM 307 C ARG A 42 3.995 6.030 -0.202 1.00 0.00 C ATOM 308 O ARG A 42 5.217 6.123 -0.280 1.00 0.00 O ATOM 309 CB ARG A 42 2.651 7.889 -1.187 1.00 0.00 C ATOM 310 CG ARG A 42 1.336 8.220 -1.875 1.00 0.00 C ATOM 311 CD ARG A 42 1.480 9.404 -2.819 1.00 0.00 C ATOM 312 NE ARG A 42 0.205 9.783 -3.422 1.00 0.00 N ATOM 313 CZ ARG A 42 0.095 10.445 -4.573 1.00 0.00 C ATOM 314 NH1 ARG A 42 1.180 10.808 -5.247 1.00 0.00 N ATOM 315 NH2 ARG A 42 -1.105 10.748 -5.050 1.00 0.00 N ATOM 0 H ARG A 42 1.054 5.976 -1.227 1.00 0.00 H new ATOM 0 HA ARG A 42 3.639 6.358 -2.301 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.557 8.107 -0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.429 8.544 -1.579 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.987 7.350 -2.432 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.578 8.443 -1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.890 10.254 -2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.193 9.156 -3.605 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.652 9.526 -2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.106 10.580 -4.884 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.088 11.315 -6.127 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.942 10.474 -4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.191 11.255 -5.931 1.00 0.00 H new ATOM 329 N VAL A 43 3.368 5.560 0.868 1.00 0.00 N ATOM 330 CA VAL A 43 4.094 5.114 2.041 1.00 0.00 C ATOM 331 C VAL A 43 4.969 3.921 1.688 1.00 0.00 C ATOM 332 O VAL A 43 6.176 3.935 1.913 1.00 0.00 O ATOM 333 CB VAL A 43 3.130 4.741 3.184 1.00 0.00 C ATOM 334 CG1 VAL A 43 3.768 3.749 4.145 1.00 0.00 C ATOM 335 CG2 VAL A 43 2.690 5.991 3.922 1.00 0.00 C ATOM 0 H VAL A 43 2.354 5.479 0.944 1.00 0.00 H new ATOM 0 HA VAL A 43 4.724 5.935 2.383 1.00 0.00 H new ATOM 0 HB VAL A 43 2.254 4.261 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.062 3.507 4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.034 2.840 3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.666 4.189 4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.009 5.717 4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.563 6.493 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.182 6.662 3.230 1.00 0.00 H new ATOM 345 N LEU A 44 4.364 2.890 1.110 1.00 0.00 N ATOM 346 CA LEU A 44 5.122 1.715 0.716 1.00 0.00 C ATOM 347 C LEU A 44 6.315 2.151 -0.122 1.00 0.00 C ATOM 348 O LEU A 44 7.444 1.760 0.143 1.00 0.00 O ATOM 349 CB LEU A 44 4.239 0.729 -0.064 1.00 0.00 C ATOM 350 CG LEU A 44 4.312 -0.748 0.371 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.353 -1.503 -0.443 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.606 -0.882 1.860 1.00 0.00 C ATOM 0 H LEU A 44 3.365 2.845 0.907 1.00 0.00 H new ATOM 0 HA LEU A 44 5.477 1.200 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.203 1.059 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.509 0.788 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 44 3.333 -1.189 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.386 -2.543 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.089 -1.462 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.332 -1.046 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.650 -1.937 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.562 -0.410 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.817 -0.394 2.432 1.00 0.00 H new ATOM 364 N GLU A 45 6.061 3.001 -1.113 1.00 0.00 N ATOM 365 CA GLU A 45 7.133 3.505 -1.957 1.00 0.00 C ATOM 366 C GLU A 45 8.094 4.357 -1.128 1.00 0.00 C ATOM 367 O GLU A 45 9.292 4.403 -1.405 1.00 0.00 O ATOM 368 CB GLU A 45 6.563 4.292 -3.151 1.00 0.00 C ATOM 369 CG GLU A 45 6.592 5.807 -2.997 1.00 0.00 C ATOM 370 CD GLU A 45 6.220 6.528 -4.278 1.00 0.00 C ATOM 371 OE1 GLU A 45 6.430 5.952 -5.366 1.00 0.00 O ATOM 372 OE2 GLU A 45 5.718 7.669 -4.192 1.00 0.00 O ATOM 0 H GLU A 45 5.132 3.351 -1.348 1.00 0.00 H new ATOM 0 HA GLU A 45 7.692 2.662 -2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.124 4.022 -4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.532 3.978 -3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.904 6.102 -2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.589 6.118 -2.685 1.00 0.00 H new ATOM 379 N LYS A 46 7.563 5.016 -0.097 1.00 0.00 N ATOM 380 CA LYS A 46 8.386 5.846 0.778 1.00 0.00 C ATOM 381 C LYS A 46 9.305 4.962 1.618 1.00 0.00 C ATOM 382 O LYS A 46 10.523 5.149 1.637 1.00 0.00 O ATOM 383 CB LYS A 46 7.511 6.751 1.671 1.00 0.00 C ATOM 384 CG LYS A 46 7.254 6.222 3.082 1.00 0.00 C ATOM 385 CD LYS A 46 6.498 7.228 3.932 1.00 0.00 C ATOM 386 CE LYS A 46 6.237 6.685 5.328 1.00 0.00 C ATOM 387 NZ LYS A 46 7.329 7.040 6.276 1.00 0.00 N ATOM 0 H LYS A 46 6.574 4.991 0.150 1.00 0.00 H new ATOM 0 HA LYS A 46 9.002 6.500 0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.988 7.728 1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.551 6.903 1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.685 5.294 3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.204 5.984 3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.071 8.153 4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.551 7.474 3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.291 7.079 5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.134 5.601 5.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.970 6.995 7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.116 6.369 6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.664 8.004 6.074 1.00 0.00 H new ATOM 401 N GLU A 47 8.717 3.983 2.295 1.00 0.00 N ATOM 402 CA GLU A 47 9.489 3.064 3.112 1.00 0.00 C ATOM 403 C GLU A 47 10.339 2.165 2.226 1.00 0.00 C ATOM 404 O GLU A 47 11.424 1.740 2.614 1.00 0.00 O ATOM 405 CB GLU A 47 8.564 2.216 3.987 1.00 0.00 C ATOM 406 CG GLU A 47 7.934 2.976 5.145 1.00 0.00 C ATOM 407 CD GLU A 47 8.907 3.906 5.846 1.00 0.00 C ATOM 408 OE1 GLU A 47 9.673 3.425 6.707 1.00 0.00 O ATOM 409 OE2 GLU A 47 8.901 5.115 5.532 1.00 0.00 O ATOM 0 H GLU A 47 7.712 3.808 2.293 1.00 0.00 H new ATOM 0 HA GLU A 47 10.144 3.645 3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.771 1.802 3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.130 1.373 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.089 3.556 4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.538 2.262 5.868 1.00 0.00 H new ATOM 416 N CYS A 48 9.834 1.887 1.028 1.00 0.00 N ATOM 417 CA CYS A 48 10.540 1.044 0.074 1.00 0.00 C ATOM 418 C CYS A 48 11.716 1.790 -0.542 1.00 0.00 C ATOM 419 O CYS A 48 12.739 1.188 -0.869 1.00 0.00 O ATOM 420 CB CYS A 48 9.587 0.575 -1.026 1.00 0.00 C ATOM 421 SG CYS A 48 8.381 -0.655 -0.479 1.00 0.00 S ATOM 0 H CYS A 48 8.935 2.236 0.696 1.00 0.00 H new ATOM 0 HA CYS A 48 10.923 0.175 0.608 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.055 1.439 -1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.172 0.156 -1.845 1.00 0.00 H new ATOM 0 HG CYS A 48 9.000 -1.647 0.089 1.00 0.00 H new ATOM 427 N THR A 49 11.570 3.103 -0.702 1.00 0.00 N ATOM 428 CA THR A 49 12.635 3.909 -1.282 1.00 0.00 C ATOM 429 C THR A 49 13.843 3.950 -0.353 1.00 0.00 C ATOM 430 O THR A 49 14.982 4.041 -0.811 1.00 0.00 O ATOM 431 CB THR A 49 12.145 5.330 -1.596 1.00 0.00 C ATOM 432 OG1 THR A 49 13.052 5.988 -2.462 1.00 0.00 O ATOM 433 CG2 THR A 49 11.964 6.208 -0.374 1.00 0.00 C ATOM 0 H THR A 49 10.733 3.625 -0.441 1.00 0.00 H new ATOM 0 HA THR A 49 12.936 3.443 -2.220 1.00 0.00 H new ATOM 0 HB THR A 49 11.168 5.192 -2.060 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.724 6.892 -2.653 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.616 7.194 -0.683 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.229 5.756 0.293 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.916 6.306 0.148 1.00 0.00 H new ATOM 441 N LYS A 50 13.594 3.878 0.954 1.00 0.00 N ATOM 442 CA LYS A 50 14.680 3.904 1.924 1.00 0.00 C ATOM 443 C LYS A 50 15.324 2.523 2.072 1.00 0.00 C ATOM 444 O LYS A 50 16.488 2.417 2.457 1.00 0.00 O ATOM 445 CB LYS A 50 14.183 4.423 3.278 1.00 0.00 C ATOM 446 CG LYS A 50 13.570 3.356 4.171 1.00 0.00 C ATOM 447 CD LYS A 50 12.393 3.907 4.957 1.00 0.00 C ATOM 448 CE LYS A 50 12.850 4.878 6.031 1.00 0.00 C ATOM 449 NZ LYS A 50 11.722 5.324 6.894 1.00 0.00 N ATOM 0 H LYS A 50 12.661 3.802 1.359 1.00 0.00 H new ATOM 0 HA LYS A 50 15.444 4.588 1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.018 4.886 3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.443 5.204 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.242 2.513 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.325 2.977 4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.704 4.410 4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.844 3.085 5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.613 4.404 6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.313 5.746 5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.087 5.600 7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.248 6.138 6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.041 4.546 7.005 1.00 0.00 H new ATOM 463 N ILE A 51 14.567 1.465 1.758 1.00 0.00 N ATOM 464 CA ILE A 51 15.085 0.099 1.853 1.00 0.00 C ATOM 465 C ILE A 51 16.486 0.003 1.254 1.00 0.00 C ATOM 466 O ILE A 51 16.736 0.487 0.149 1.00 0.00 O ATOM 467 CB ILE A 51 14.156 -0.914 1.140 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.786 -0.947 1.826 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.778 -2.310 1.115 1.00 0.00 C ATOM 470 CD1 ILE A 51 12.811 -1.557 3.210 1.00 0.00 C ATOM 0 H ILE A 51 13.601 1.529 1.438 1.00 0.00 H new ATOM 0 HA ILE A 51 15.127 -0.150 2.913 1.00 0.00 H new ATOM 0 HB ILE A 51 14.025 -0.589 0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.400 0.070 1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.092 -1.511 1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 51 14.103 -3.000 0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.729 -2.275 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.946 -2.652 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.806 -1.545 3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.166 -2.586 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.479 -0.980 3.850 1.00 0.00 H new ATOM 606 N LEU A 60 12.280 -1.255 10.053 1.00 0.00 N ATOM 607 CA LEU A 60 11.583 -0.628 8.940 1.00 0.00 C ATOM 608 C LEU A 60 10.895 -1.690 8.090 1.00 0.00 C ATOM 609 O LEU A 60 9.682 -1.647 7.891 1.00 0.00 O ATOM 610 CB LEU A 60 12.568 0.201 8.098 1.00 0.00 C ATOM 611 CG LEU A 60 12.440 0.060 6.576 1.00 0.00 C ATOM 612 CD1 LEU A 60 11.046 0.457 6.115 1.00 0.00 C ATOM 613 CD2 LEU A 60 13.496 0.900 5.875 1.00 0.00 C ATOM 0 HA LEU A 60 10.819 0.045 9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.441 1.252 8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.582 -0.077 8.384 1.00 0.00 H new ATOM 0 HG LEU A 60 12.600 -0.985 6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.976 0.350 5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.308 -0.188 6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.853 1.494 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.392 0.789 4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.367 1.948 6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 60 14.488 0.566 6.180 1.00 0.00 H new ATOM 625 N ARG A 61 11.674 -2.648 7.596 1.00 0.00 N ATOM 626 CA ARG A 61 11.126 -3.721 6.780 1.00 0.00 C ATOM 627 C ARG A 61 10.096 -4.498 7.578 1.00 0.00 C ATOM 628 O ARG A 61 9.044 -4.871 7.060 1.00 0.00 O ATOM 629 CB ARG A 61 12.241 -4.643 6.299 1.00 0.00 C ATOM 630 CG ARG A 61 13.490 -3.889 5.890 1.00 0.00 C ATOM 631 CD ARG A 61 14.564 -4.822 5.383 1.00 0.00 C ATOM 632 NE ARG A 61 15.439 -4.168 4.416 1.00 0.00 N ATOM 633 CZ ARG A 61 16.487 -4.756 3.845 1.00 0.00 C ATOM 634 NH1 ARG A 61 16.791 -6.015 4.137 1.00 0.00 N ATOM 635 NH2 ARG A 61 17.232 -4.085 2.979 1.00 0.00 N ATOM 0 H ARG A 61 12.681 -2.701 7.747 1.00 0.00 H new ATOM 0 HA ARG A 61 10.639 -3.290 5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.491 -5.348 7.092 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.882 -5.229 5.453 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.241 -3.165 5.114 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.870 -3.325 6.742 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.157 -5.184 6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.100 -5.694 4.922 1.00 0.00 H new ATOM 0 HE ARG A 61 15.235 -3.201 4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 61 16.220 -6.536 4.802 1.00 0.00 H new ATOM 0 HH12 ARG A 61 17.596 -6.461 3.696 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.002 -3.118 2.750 1.00 0.00 H new ATOM 0 HH22 ARG A 61 18.036 -4.535 2.541 1.00 0.00 H new ATOM 649 N TYR A 62 10.391 -4.708 8.857 1.00 0.00 N ATOM 650 CA TYR A 62 9.465 -5.404 9.735 1.00 0.00 C ATOM 651 C TYR A 62 8.173 -4.609 9.809 1.00 0.00 C ATOM 652 O TYR A 62 7.087 -5.144 9.612 1.00 0.00 O ATOM 653 CB TYR A 62 10.065 -5.582 11.132 1.00 0.00 C ATOM 654 CG TYR A 62 10.432 -7.013 11.449 1.00 0.00 C ATOM 655 CD1 TYR A 62 9.486 -7.893 11.955 1.00 0.00 C ATOM 656 CD2 TYR A 62 11.722 -7.484 11.240 1.00 0.00 C ATOM 657 CE1 TYR A 62 9.812 -9.203 12.246 1.00 0.00 C ATOM 658 CE2 TYR A 62 12.058 -8.793 11.528 1.00 0.00 C ATOM 659 CZ TYR A 62 11.100 -9.649 12.030 1.00 0.00 C ATOM 660 OH TYR A 62 11.430 -10.953 12.318 1.00 0.00 O ATOM 0 H TYR A 62 11.258 -4.408 9.303 1.00 0.00 H new ATOM 0 HA TYR A 62 9.265 -6.398 9.334 1.00 0.00 H new ATOM 0 HB2 TYR A 62 10.955 -4.959 11.219 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.351 -5.225 11.874 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.477 -7.547 12.124 1.00 0.00 H new ATOM 0 HD2 TYR A 62 12.474 -6.817 10.846 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.064 -9.874 12.640 1.00 0.00 H new ATOM 0 HE2 TYR A 62 13.066 -9.144 11.361 1.00 0.00 H new ATOM 0 HH TYR A 62 12.375 -11.105 12.108 1.00 0.00 H new ATOM 670 N LYS A 63 8.309 -3.312 10.051 1.00 0.00 N ATOM 671 CA LYS A 63 7.162 -2.421 10.106 1.00 0.00 C ATOM 672 C LYS A 63 6.456 -2.434 8.754 1.00 0.00 C ATOM 673 O LYS A 63 5.229 -2.415 8.673 1.00 0.00 O ATOM 674 CB LYS A 63 7.628 -1.004 10.466 1.00 0.00 C ATOM 675 CG LYS A 63 6.579 0.077 10.258 1.00 0.00 C ATOM 676 CD LYS A 63 7.198 1.355 9.715 1.00 0.00 C ATOM 677 CE LYS A 63 6.977 1.491 8.216 1.00 0.00 C ATOM 678 NZ LYS A 63 5.895 2.463 7.901 1.00 0.00 N ATOM 0 H LYS A 63 9.206 -2.854 10.213 1.00 0.00 H new ATOM 0 HA LYS A 63 6.462 -2.756 10.872 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.941 -0.992 11.510 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.506 -0.761 9.867 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.817 -0.282 9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.078 0.287 11.203 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.766 2.215 10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.267 1.361 9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.904 1.812 7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.724 0.517 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.931 2.707 6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.972 2.038 8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.025 3.324 8.470 1.00 0.00 H new ATOM 692 N ILE A 64 7.254 -2.472 7.696 1.00 0.00 N ATOM 693 CA ILE A 64 6.742 -2.497 6.340 1.00 0.00 C ATOM 694 C ILE A 64 5.906 -3.754 6.077 1.00 0.00 C ATOM 695 O ILE A 64 4.767 -3.670 5.617 1.00 0.00 O ATOM 696 CB ILE A 64 7.918 -2.410 5.331 1.00 0.00 C ATOM 697 CG1 ILE A 64 7.911 -1.048 4.636 1.00 0.00 C ATOM 698 CG2 ILE A 64 7.882 -3.541 4.309 1.00 0.00 C ATOM 699 CD1 ILE A 64 8.777 -0.984 3.392 1.00 0.00 C ATOM 0 H ILE A 64 8.272 -2.486 7.757 1.00 0.00 H new ATOM 0 HA ILE A 64 6.089 -1.634 6.209 1.00 0.00 H new ATOM 0 HB ILE A 64 8.846 -2.520 5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.886 -0.795 4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.251 -0.290 5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.724 -3.439 3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.948 -4.499 4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.949 -3.494 3.747 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.718 0.014 2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.811 -1.204 3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.425 -1.717 2.666 1.00 0.00 H new ATOM 711 N GLU A 65 6.490 -4.918 6.347 1.00 0.00 N ATOM 712 CA GLU A 65 5.813 -6.191 6.109 1.00 0.00 C ATOM 713 C GLU A 65 4.826 -6.550 7.219 1.00 0.00 C ATOM 714 O GLU A 65 3.842 -7.247 6.974 1.00 0.00 O ATOM 715 CB GLU A 65 6.844 -7.311 5.958 1.00 0.00 C ATOM 716 CG GLU A 65 7.463 -7.385 4.571 1.00 0.00 C ATOM 717 CD GLU A 65 6.732 -8.350 3.658 1.00 0.00 C ATOM 718 OE1 GLU A 65 5.768 -7.921 2.990 1.00 0.00 O ATOM 719 OE2 GLU A 65 7.125 -9.535 3.610 1.00 0.00 O ATOM 0 H GLU A 65 7.431 -5.007 6.731 1.00 0.00 H new ATOM 0 HA GLU A 65 5.241 -6.079 5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.636 -7.166 6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.368 -8.265 6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.459 -6.392 4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.505 -7.692 4.658 1.00 0.00 H new ATOM 726 N THR A 66 5.097 -6.105 8.439 1.00 0.00 N ATOM 727 CA THR A 66 4.233 -6.417 9.564 1.00 0.00 C ATOM 728 C THR A 66 3.239 -5.294 9.867 1.00 0.00 C ATOM 729 O THR A 66 2.343 -5.469 10.693 1.00 0.00 O ATOM 730 CB THR A 66 5.081 -6.708 10.799 1.00 0.00 C ATOM 731 OG1 THR A 66 5.526 -5.506 11.402 1.00 0.00 O ATOM 732 CG2 THR A 66 6.299 -7.560 10.509 1.00 0.00 C ATOM 0 H THR A 66 5.906 -5.529 8.672 1.00 0.00 H new ATOM 0 HA THR A 66 3.651 -7.298 9.294 1.00 0.00 H new ATOM 0 HB THR A 66 4.425 -7.264 11.469 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.011 -4.969 10.741 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.855 -7.727 11.432 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.983 -8.519 10.098 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.937 -7.049 9.789 1.00 0.00 H new ATOM 740 N GLU A 67 3.392 -4.140 9.216 1.00 0.00 N ATOM 741 CA GLU A 67 2.485 -3.020 9.464 1.00 0.00 C ATOM 742 C GLU A 67 1.991 -2.370 8.166 1.00 0.00 C ATOM 743 O GLU A 67 0.790 -2.164 7.996 1.00 0.00 O ATOM 744 CB GLU A 67 3.161 -1.982 10.377 1.00 0.00 C ATOM 745 CG GLU A 67 3.213 -0.568 9.809 1.00 0.00 C ATOM 746 CD GLU A 67 3.660 0.458 10.833 1.00 0.00 C ATOM 747 OE1 GLU A 67 4.010 0.058 11.964 1.00 0.00 O ATOM 748 OE2 GLU A 67 3.660 1.663 10.504 1.00 0.00 O ATOM 0 H GLU A 67 4.121 -3.958 8.526 1.00 0.00 H new ATOM 0 HA GLU A 67 1.604 -3.417 9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.631 -1.957 11.329 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.178 -2.312 10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.894 -0.547 8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.227 -0.295 9.434 1.00 0.00 H new ATOM 755 N LEU A 68 2.908 -2.027 7.263 1.00 0.00 N ATOM 756 CA LEU A 68 2.522 -1.380 6.009 1.00 0.00 C ATOM 757 C LEU A 68 1.770 -2.339 5.086 1.00 0.00 C ATOM 758 O LEU A 68 0.541 -2.393 5.122 1.00 0.00 O ATOM 759 CB LEU A 68 3.746 -0.796 5.297 1.00 0.00 C ATOM 760 CG LEU A 68 4.363 0.436 5.968 1.00 0.00 C ATOM 761 CD1 LEU A 68 5.436 1.050 5.081 1.00 0.00 C ATOM 762 CD2 LEU A 68 3.287 1.463 6.293 1.00 0.00 C ATOM 0 H LEU A 68 3.910 -2.183 7.373 1.00 0.00 H new ATOM 0 HA LEU A 68 1.845 -0.564 6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.509 -1.571 5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.462 -0.532 4.278 1.00 0.00 H new ATOM 0 HG LEU A 68 4.830 0.119 6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.861 1.923 5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.222 0.317 4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.994 1.351 4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.744 2.331 6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.790 1.773 5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.555 1.022 6.970 1.00 0.00 H new ATOM 774 N ILE A 69 2.506 -3.084 4.255 1.00 0.00 N ATOM 775 CA ILE A 69 1.902 -4.033 3.315 1.00 0.00 C ATOM 776 C ILE A 69 0.634 -4.679 3.885 1.00 0.00 C ATOM 777 O ILE A 69 -0.432 -4.603 3.274 1.00 0.00 O ATOM 778 CB ILE A 69 2.922 -5.124 2.901 1.00 0.00 C ATOM 779 CG1 ILE A 69 3.811 -4.594 1.776 1.00 0.00 C ATOM 780 CG2 ILE A 69 2.226 -6.408 2.459 1.00 0.00 C ATOM 781 CD1 ILE A 69 5.170 -4.127 2.237 1.00 0.00 C ATOM 0 H ILE A 69 3.525 -3.048 4.215 1.00 0.00 H new ATOM 0 HA ILE A 69 1.614 -3.466 2.430 1.00 0.00 H new ATOM 0 HB ILE A 69 3.533 -5.364 3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.941 -5.378 1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.301 -3.766 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.974 -7.149 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.623 -6.796 3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.583 -6.198 1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.740 -3.766 1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.051 -3.320 2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.701 -4.957 2.703 1.00 0.00 H new ATOM 793 N PRO A 70 0.726 -5.320 5.063 1.00 0.00 N ATOM 794 CA PRO A 70 -0.427 -5.966 5.696 1.00 0.00 C ATOM 795 C PRO A 70 -1.619 -5.022 5.816 1.00 0.00 C ATOM 796 O PRO A 70 -2.764 -5.424 5.612 1.00 0.00 O ATOM 797 CB PRO A 70 0.085 -6.364 7.089 1.00 0.00 C ATOM 798 CG PRO A 70 1.389 -5.657 7.256 1.00 0.00 C ATOM 799 CD PRO A 70 1.941 -5.467 5.874 1.00 0.00 C ATOM 0 HA PRO A 70 -0.785 -6.813 5.111 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.622 -6.070 7.865 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.212 -7.444 7.166 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.251 -4.698 7.755 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.073 -6.241 7.872 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.580 -4.587 5.810 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.540 -6.320 5.556 1.00 0.00 H new ATOM 807 N ASN A 71 -1.341 -3.765 6.147 1.00 0.00 N ATOM 808 CA ASN A 71 -2.391 -2.763 6.293 1.00 0.00 C ATOM 809 C ASN A 71 -2.839 -2.241 4.932 1.00 0.00 C ATOM 810 O ASN A 71 -4.027 -2.003 4.710 1.00 0.00 O ATOM 811 CB ASN A 71 -1.904 -1.601 7.161 1.00 0.00 C ATOM 812 CG ASN A 71 -1.864 -1.958 8.635 1.00 0.00 C ATOM 813 OD1 ASN A 71 -2.464 -2.944 9.063 1.00 0.00 O ATOM 814 ND2 ASN A 71 -1.154 -1.155 9.419 1.00 0.00 N ATOM 0 H ASN A 71 -0.398 -3.416 6.319 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.243 -3.238 6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.908 -1.300 6.836 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.560 -0.743 7.015 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.090 -1.345 10.419 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.673 -0.349 9.021 1.00 0.00 H new ATOM 821 N CYS A 72 -1.886 -2.069 4.020 1.00 0.00 N ATOM 822 CA CYS A 72 -2.199 -1.580 2.682 1.00 0.00 C ATOM 823 C CYS A 72 -3.110 -2.566 1.967 1.00 0.00 C ATOM 824 O CYS A 72 -4.189 -2.203 1.500 1.00 0.00 O ATOM 825 CB CYS A 72 -0.923 -1.357 1.862 1.00 0.00 C ATOM 826 SG CYS A 72 0.463 -0.660 2.793 1.00 0.00 S ATOM 0 H CYS A 72 -0.897 -2.260 4.182 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.711 -0.623 2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.612 -2.310 1.433 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.154 -0.693 1.029 1.00 0.00 H new ATOM 0 HG CYS A 72 0.026 0.265 3.595 1.00 0.00 H new ATOM 832 N THR A 73 -2.678 -3.821 1.900 1.00 0.00 N ATOM 833 CA THR A 73 -3.471 -4.858 1.258 1.00 0.00 C ATOM 834 C THR A 73 -4.770 -5.059 2.028 1.00 0.00 C ATOM 835 O THR A 73 -5.843 -5.167 1.437 1.00 0.00 O ATOM 836 CB THR A 73 -2.683 -6.168 1.174 1.00 0.00 C ATOM 837 OG1 THR A 73 -3.228 -7.018 0.181 1.00 0.00 O ATOM 838 CG2 THR A 73 -2.658 -6.941 2.474 1.00 0.00 C ATOM 0 H THR A 73 -1.788 -4.142 2.281 1.00 0.00 H new ATOM 0 HA THR A 73 -3.707 -4.545 0.241 1.00 0.00 H new ATOM 0 HB THR A 73 -1.663 -5.873 0.928 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.710 -7.849 0.141 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.083 -7.857 2.341 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.196 -6.332 3.251 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.677 -7.192 2.768 1.00 0.00 H new ATOM 846 N SER A 74 -4.673 -5.075 3.356 1.00 0.00 N ATOM 847 CA SER A 74 -5.856 -5.224 4.193 1.00 0.00 C ATOM 848 C SER A 74 -6.858 -4.133 3.836 1.00 0.00 C ATOM 849 O SER A 74 -8.071 -4.325 3.924 1.00 0.00 O ATOM 850 CB SER A 74 -5.485 -5.136 5.675 1.00 0.00 C ATOM 851 OG SER A 74 -4.990 -6.376 6.152 1.00 0.00 O ATOM 0 H SER A 74 -3.796 -4.987 3.869 1.00 0.00 H new ATOM 0 HA SER A 74 -6.300 -6.203 4.014 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.732 -4.361 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.360 -4.843 6.255 1.00 0.00 H new ATOM 0 HG SER A 74 -4.047 -6.470 5.901 1.00 0.00 H new ATOM 857 N VAL A 75 -6.323 -2.993 3.405 1.00 0.00 N ATOM 858 CA VAL A 75 -7.137 -1.863 2.995 1.00 0.00 C ATOM 859 C VAL A 75 -7.828 -2.185 1.669 1.00 0.00 C ATOM 860 O VAL A 75 -8.934 -1.713 1.401 1.00 0.00 O ATOM 861 CB VAL A 75 -6.264 -0.583 2.886 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.394 0.098 1.532 1.00 0.00 C ATOM 863 CG2 VAL A 75 -6.597 0.390 4.007 1.00 0.00 C ATOM 0 H VAL A 75 -5.318 -2.832 3.332 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.905 -1.674 3.745 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.225 -0.898 2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.763 0.987 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.080 -0.590 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.432 0.386 1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.975 1.280 3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.648 0.673 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.407 -0.085 4.969 1.00 0.00 H new ATOM 873 N ARG A 76 -7.176 -3.020 0.858 1.00 0.00 N ATOM 874 CA ARG A 76 -7.734 -3.441 -0.422 1.00 0.00 C ATOM 875 C ARG A 76 -8.966 -4.297 -0.183 1.00 0.00 C ATOM 876 O ARG A 76 -10.056 -3.984 -0.657 1.00 0.00 O ATOM 877 CB ARG A 76 -6.708 -4.253 -1.216 1.00 0.00 C ATOM 878 CG ARG A 76 -5.493 -3.459 -1.662 1.00 0.00 C ATOM 879 CD ARG A 76 -4.451 -4.366 -2.300 1.00 0.00 C ATOM 880 NE ARG A 76 -5.007 -5.147 -3.401 1.00 0.00 N ATOM 881 CZ ARG A 76 -4.282 -5.943 -4.185 1.00 0.00 C ATOM 882 NH1 ARG A 76 -2.974 -6.063 -3.993 1.00 0.00 N ATOM 883 NH2 ARG A 76 -4.867 -6.620 -5.163 1.00 0.00 N ATOM 0 H ARG A 76 -6.260 -3.417 1.068 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.001 -2.551 -0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.375 -5.092 -0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -7.196 -4.673 -2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.797 -2.692 -2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.057 -2.944 -0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.621 -3.763 -2.667 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.046 -5.040 -1.545 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.009 -5.079 -3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.519 -5.544 -3.242 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.424 -6.674 -4.597 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.872 -6.531 -5.315 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.312 -7.230 -5.764 1.00 0.00 H new ATOM 897 N ASP A 77 -8.781 -5.383 0.569 1.00 0.00 N ATOM 898 CA ASP A 77 -9.877 -6.291 0.889 1.00 0.00 C ATOM 899 C ASP A 77 -11.089 -5.504 1.369 1.00 0.00 C ATOM 900 O ASP A 77 -12.232 -5.860 1.083 1.00 0.00 O ATOM 901 CB ASP A 77 -9.441 -7.296 1.960 1.00 0.00 C ATOM 902 CG ASP A 77 -9.319 -8.705 1.413 1.00 0.00 C ATOM 903 OD1 ASP A 77 -8.604 -8.891 0.406 1.00 0.00 O ATOM 904 OD2 ASP A 77 -9.938 -9.622 1.993 1.00 0.00 O ATOM 0 H ASP A 77 -7.881 -5.653 0.967 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.149 -6.839 -0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.483 -6.986 2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.162 -7.287 2.778 1.00 0.00 H new ATOM 909 N LYS A 78 -10.824 -4.416 2.085 1.00 0.00 N ATOM 910 CA LYS A 78 -11.886 -3.560 2.587 1.00 0.00 C ATOM 911 C LYS A 78 -12.557 -2.842 1.425 1.00 0.00 C ATOM 912 O LYS A 78 -13.781 -2.725 1.372 1.00 0.00 O ATOM 913 CB LYS A 78 -11.324 -2.546 3.588 1.00 0.00 C ATOM 914 CG LYS A 78 -11.218 -3.088 5.005 1.00 0.00 C ATOM 915 CD LYS A 78 -11.695 -2.072 6.033 1.00 0.00 C ATOM 916 CE LYS A 78 -10.551 -1.584 6.908 1.00 0.00 C ATOM 917 NZ LYS A 78 -9.970 -2.684 7.727 1.00 0.00 N ATOM 0 H LYS A 78 -9.883 -4.109 2.329 1.00 0.00 H new ATOM 0 HA LYS A 78 -12.626 -4.174 3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.336 -2.227 3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.960 -1.661 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.810 -3.999 5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.183 -3.359 5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.151 -1.224 5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.467 -2.521 6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.773 -1.149 6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.909 -0.792 7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.507 -2.284 8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.727 -3.333 8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.270 -3.205 7.162 1.00 0.00 H new ATOM 931 N ILE A 79 -11.740 -2.384 0.483 1.00 0.00 N ATOM 932 CA ILE A 79 -12.239 -1.698 -0.695 1.00 0.00 C ATOM 933 C ILE A 79 -12.946 -2.684 -1.618 1.00 0.00 C ATOM 934 O ILE A 79 -14.047 -2.420 -2.102 1.00 0.00 O ATOM 935 CB ILE A 79 -11.085 -1.010 -1.456 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.569 0.188 -0.659 1.00 0.00 C ATOM 937 CG2 ILE A 79 -11.526 -0.581 -2.847 1.00 0.00 C ATOM 938 CD1 ILE A 79 -9.172 0.616 -1.047 1.00 0.00 C ATOM 0 H ILE A 79 -10.725 -2.478 0.516 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.948 -0.936 -0.371 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.274 -1.729 -1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -11.250 1.028 -0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.583 -0.059 0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.694 -0.099 -3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.844 -1.456 -3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.356 0.120 -2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.872 1.471 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.479 -0.209 -0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.156 0.895 -2.101 1.00 0.00 H new ATOM 950 N GLU A 80 -12.306 -3.824 -1.848 1.00 0.00 N ATOM 951 CA GLU A 80 -12.872 -4.855 -2.703 1.00 0.00 C ATOM 952 C GLU A 80 -14.135 -5.431 -2.075 1.00 0.00 C ATOM 953 O GLU A 80 -15.068 -5.821 -2.778 1.00 0.00 O ATOM 954 CB GLU A 80 -11.852 -5.969 -2.944 1.00 0.00 C ATOM 955 CG GLU A 80 -10.545 -5.478 -3.545 1.00 0.00 C ATOM 956 CD GLU A 80 -9.761 -6.587 -4.219 1.00 0.00 C ATOM 957 OE1 GLU A 80 -10.391 -7.450 -4.867 1.00 0.00 O ATOM 958 OE2 GLU A 80 -8.518 -6.593 -4.100 1.00 0.00 O ATOM 0 H GLU A 80 -11.395 -4.056 -1.453 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.130 -4.403 -3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.642 -6.469 -1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.290 -6.714 -3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.756 -4.693 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.934 -5.031 -2.761 1.00 0.00 H new ATOM 965 N SER A 81 -14.165 -5.470 -0.744 1.00 0.00 N ATOM 966 CA SER A 81 -15.322 -5.986 -0.026 1.00 0.00 C ATOM 967 C SER A 81 -16.539 -5.115 -0.306 1.00 0.00 C ATOM 968 O SER A 81 -17.667 -5.602 -0.378 1.00 0.00 O ATOM 969 CB SER A 81 -15.043 -6.033 1.477 1.00 0.00 C ATOM 970 OG SER A 81 -16.182 -6.476 2.194 1.00 0.00 O ATOM 0 H SER A 81 -13.403 -5.151 -0.146 1.00 0.00 H new ATOM 0 HA SER A 81 -15.523 -7.000 -0.372 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.204 -6.700 1.673 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.752 -5.043 1.827 1.00 0.00 H new ATOM 0 HG SER A 81 -15.977 -6.499 3.152 1.00 0.00 H new ATOM 976 N ASN A 82 -16.292 -3.820 -0.475 1.00 0.00 N ATOM 977 CA ASN A 82 -17.353 -2.865 -0.761 1.00 0.00 C ATOM 978 C ASN A 82 -17.774 -2.962 -2.226 1.00 0.00 C ATOM 979 O ASN A 82 -17.116 -2.411 -3.107 1.00 0.00 O ATOM 980 CB ASN A 82 -16.871 -1.451 -0.439 1.00 0.00 C ATOM 981 CG ASN A 82 -18.008 -0.461 -0.305 1.00 0.00 C ATOM 982 OD1 ASN A 82 -19.003 -0.723 0.370 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.859 0.685 -0.952 1.00 0.00 N ATOM 0 H ASN A 82 -15.361 -3.408 -0.418 1.00 0.00 H new ATOM 0 HA ASN A 82 -18.218 -3.097 -0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.300 -1.469 0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -16.193 -1.115 -1.224 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.588 1.397 -0.903 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -17.015 0.856 -1.499 1.00 0.00 H new ATOM 990 N ILE A 83 -18.865 -3.681 -2.478 1.00 0.00 N ATOM 991 CA ILE A 83 -19.369 -3.873 -3.838 1.00 0.00 C ATOM 992 C ILE A 83 -19.390 -2.573 -4.637 1.00 0.00 C ATOM 993 O ILE A 83 -19.222 -2.585 -5.856 1.00 0.00 O ATOM 994 CB ILE A 83 -20.786 -4.482 -3.835 1.00 0.00 C ATOM 995 CG1 ILE A 83 -21.182 -4.918 -5.248 1.00 0.00 C ATOM 996 CG2 ILE A 83 -21.794 -3.484 -3.282 1.00 0.00 C ATOM 997 CD1 ILE A 83 -20.183 -5.852 -5.898 1.00 0.00 C ATOM 0 H ILE A 83 -19.419 -4.142 -1.757 1.00 0.00 H new ATOM 0 HA ILE A 83 -18.677 -4.565 -4.318 1.00 0.00 H new ATOM 0 HB ILE A 83 -20.784 -5.361 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -22.154 -5.410 -5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -21.298 -4.033 -5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -22.788 -3.930 -3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -21.521 -3.219 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -21.796 -2.587 -3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -20.530 -6.118 -6.896 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -19.215 -5.356 -5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -20.084 -6.755 -5.296 1.00 0.00 H new ATOM 1009 N LEU A 84 -19.597 -1.454 -3.951 1.00 0.00 N ATOM 1010 CA LEU A 84 -19.636 -0.157 -4.617 1.00 0.00 C ATOM 1011 C LEU A 84 -18.391 0.052 -5.477 1.00 0.00 C ATOM 1012 O LEU A 84 -18.406 0.841 -6.421 1.00 0.00 O ATOM 1013 CB LEU A 84 -19.764 0.968 -3.592 1.00 0.00 C ATOM 1014 CG LEU A 84 -21.184 1.220 -3.086 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -21.154 1.890 -1.722 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -21.960 2.067 -4.084 1.00 0.00 C ATOM 0 H LEU A 84 -19.739 -1.418 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 84 -20.510 -0.139 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -19.126 0.737 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -19.383 1.888 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 84 -21.690 0.260 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -22.174 2.061 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.635 1.246 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -20.631 2.844 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -22.969 2.238 -3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -21.456 3.024 -4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -22.011 1.547 -5.040 1.00 0.00 H new ATOM 1028 N ILE A 85 -17.319 -0.670 -5.155 1.00 0.00 N ATOM 1029 CA ILE A 85 -16.081 -0.566 -5.914 1.00 0.00 C ATOM 1030 C ILE A 85 -16.266 -1.149 -7.310 1.00 0.00 C ATOM 1031 O ILE A 85 -15.630 -0.712 -8.269 1.00 0.00 O ATOM 1032 CB ILE A 85 -14.917 -1.288 -5.202 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -13.609 -1.093 -5.973 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -15.222 -2.768 -5.040 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -12.788 0.077 -5.481 1.00 0.00 C ATOM 0 H ILE A 85 -17.286 -1.329 -4.377 1.00 0.00 H new ATOM 0 HA ILE A 85 -15.831 0.492 -5.990 1.00 0.00 H new ATOM 0 HB ILE A 85 -14.801 -0.850 -4.210 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -13.013 -2.002 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -13.837 -0.948 -7.029 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -14.389 -3.258 -4.536 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -16.128 -2.890 -4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -15.368 -3.219 -6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.876 0.156 -6.072 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -13.366 0.995 -5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.529 -0.075 -4.433 1.00 0.00 H new ATOM 1047 N HIS A 86 -17.154 -2.133 -7.417 1.00 0.00 N ATOM 1048 CA HIS A 86 -17.438 -2.771 -8.696 1.00 0.00 C ATOM 1049 C HIS A 86 -18.558 -2.037 -9.428 1.00 0.00 C ATOM 1050 O HIS A 86 -18.657 -2.100 -10.653 1.00 0.00 O ATOM 1051 CB HIS A 86 -17.825 -4.236 -8.484 1.00 0.00 C ATOM 1052 CG HIS A 86 -16.702 -5.083 -7.970 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -15.915 -5.867 -8.787 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -16.235 -5.266 -6.712 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -15.013 -6.496 -8.055 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -15.185 -6.148 -6.793 1.00 0.00 N ATOM 0 H HIS A 86 -17.689 -2.505 -6.632 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.536 -2.727 -9.307 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.657 -4.286 -7.782 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -18.179 -4.650 -9.428 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -16.617 -4.805 -5.813 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -14.263 -7.179 -8.426 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -14.628 -6.480 -6.006 1.00 0.00 H new ATOM 1065 N GLN A 87 -19.398 -1.339 -8.667 1.00 0.00 N ATOM 1066 CA GLN A 87 -20.510 -0.592 -9.242 1.00 0.00 C ATOM 1067 C GLN A 87 -20.045 0.770 -9.750 1.00 0.00 C ATOM 1068 O GLN A 87 -20.480 1.230 -10.806 1.00 0.00 O ATOM 1069 CB GLN A 87 -21.619 -0.413 -8.202 1.00 0.00 C ATOM 1070 CG GLN A 87 -22.142 -1.725 -7.641 1.00 0.00 C ATOM 1071 CD GLN A 87 -23.502 -2.098 -8.197 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -23.656 -2.310 -9.400 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -24.497 -2.180 -7.322 1.00 0.00 N ATOM 0 H GLN A 87 -19.328 -1.276 -7.651 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.901 -1.159 -10.087 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -21.242 0.199 -7.382 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -22.446 0.135 -8.655 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -21.432 -2.520 -7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -22.205 -1.652 -6.555 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -24.324 -1.996 -6.334 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -25.435 -2.427 -7.638 1.00 0.00 H new ATOM 1082 N ASN A 88 -19.157 1.409 -8.994 1.00 0.00 N ATOM 1083 CA ASN A 88 -18.632 2.717 -9.372 1.00 0.00 C ATOM 1084 C ASN A 88 -17.407 2.569 -10.268 1.00 0.00 C ATOM 1085 O ASN A 88 -16.307 2.295 -9.791 1.00 0.00 O ATOM 1086 CB ASN A 88 -18.274 3.530 -8.123 1.00 0.00 C ATOM 1087 CG ASN A 88 -19.110 4.788 -7.992 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -19.776 5.208 -8.939 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -19.079 5.398 -6.813 1.00 0.00 N ATOM 0 H ASN A 88 -18.786 1.043 -8.117 1.00 0.00 H new ATOM 0 HA ASN A 88 -19.406 3.246 -9.928 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -18.414 2.910 -7.237 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -17.219 3.801 -8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -19.621 6.249 -6.665 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -18.513 5.015 -6.055 1.00 0.00 H new ATOM 1096 N GLY A 89 -17.605 2.752 -11.571 1.00 0.00 N ATOM 1097 CA GLY A 89 -16.507 2.633 -12.514 1.00 0.00 C ATOM 1098 C GLY A 89 -15.326 3.513 -12.150 1.00 0.00 C ATOM 1099 O GLY A 89 -14.175 3.086 -12.239 1.00 0.00 O ATOM 0 H GLY A 89 -18.506 2.981 -11.990 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.181 1.594 -12.557 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -16.859 2.898 -13.511 1.00 0.00 H new ATOM 1103 N LYS A 90 -15.612 4.744 -11.740 1.00 0.00 N ATOM 1104 CA LYS A 90 -14.565 5.685 -11.361 1.00 0.00 C ATOM 1105 C LYS A 90 -13.737 5.140 -10.203 1.00 0.00 C ATOM 1106 O LYS A 90 -12.552 4.843 -10.360 1.00 0.00 O ATOM 1107 CB LYS A 90 -15.175 7.034 -10.977 1.00 0.00 C ATOM 1108 CG LYS A 90 -15.527 7.906 -12.172 1.00 0.00 C ATOM 1109 CD LYS A 90 -17.021 7.894 -12.451 1.00 0.00 C ATOM 1110 CE LYS A 90 -17.334 8.440 -13.835 1.00 0.00 C ATOM 1111 NZ LYS A 90 -18.557 9.290 -13.834 1.00 0.00 N ATOM 0 H LYS A 90 -16.560 5.113 -11.662 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.908 5.823 -12.220 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -16.075 6.861 -10.386 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.474 7.572 -10.339 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -15.199 8.929 -11.986 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.989 7.553 -13.052 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -17.400 6.875 -12.366 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -17.538 8.490 -11.698 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -16.487 9.024 -14.195 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -17.469 7.611 -14.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.736 9.642 -14.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -19.371 8.727 -13.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -18.420 10.095 -13.190 1.00 0.00 H new ATOM 1125 N LEU A 91 -14.366 5.013 -9.038 1.00 0.00 N ATOM 1126 CA LEU A 91 -13.684 4.505 -7.853 1.00 0.00 C ATOM 1127 C LEU A 91 -13.018 3.164 -8.132 1.00 0.00 C ATOM 1128 O LEU A 91 -11.903 2.909 -7.678 1.00 0.00 O ATOM 1129 CB LEU A 91 -14.666 4.362 -6.695 1.00 0.00 C ATOM 1130 CG LEU A 91 -14.785 5.594 -5.805 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -15.886 5.398 -4.778 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -13.454 5.890 -5.125 1.00 0.00 C ATOM 0 H LEU A 91 -15.346 5.255 -8.890 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.910 5.223 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -15.651 4.126 -7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -14.361 3.515 -6.081 1.00 0.00 H new ATOM 0 HG LEU A 91 -15.046 6.451 -6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -15.960 6.286 -4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -16.835 5.235 -5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -15.655 4.532 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -13.556 6.772 -4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -13.161 5.037 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -12.691 6.072 -5.882 1.00 0.00 H new ATOM 1144 N SER A 92 -13.706 2.311 -8.886 1.00 0.00 N ATOM 1145 CA SER A 92 -13.175 0.995 -9.232 1.00 0.00 C ATOM 1146 C SER A 92 -11.733 1.116 -9.708 1.00 0.00 C ATOM 1147 O SER A 92 -10.876 0.307 -9.353 1.00 0.00 O ATOM 1148 CB SER A 92 -14.031 0.342 -10.318 1.00 0.00 C ATOM 1149 OG SER A 92 -13.750 -1.043 -10.426 1.00 0.00 O ATOM 0 H SER A 92 -14.631 2.507 -9.269 1.00 0.00 H new ATOM 0 HA SER A 92 -13.201 0.368 -8.341 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.087 0.485 -10.088 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.844 0.830 -11.275 1.00 0.00 H new ATOM 0 HG SER A 92 -14.258 -1.534 -9.747 1.00 0.00 H new ATOM 1155 N ALA A 93 -11.476 2.150 -10.499 1.00 0.00 N ATOM 1156 CA ALA A 93 -10.140 2.405 -11.017 1.00 0.00 C ATOM 1157 C ALA A 93 -9.245 2.980 -9.926 1.00 0.00 C ATOM 1158 O ALA A 93 -8.036 2.751 -9.913 1.00 0.00 O ATOM 1159 CB ALA A 93 -10.208 3.356 -12.202 1.00 0.00 C ATOM 0 H ALA A 93 -12.179 2.827 -10.796 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.711 1.460 -11.351 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.202 3.539 -12.580 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.817 2.913 -12.990 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.654 4.299 -11.886 1.00 0.00 H new ATOM 1165 N ASP A 94 -9.856 3.726 -9.009 1.00 0.00 N ATOM 1166 CA ASP A 94 -9.129 4.338 -7.902 1.00 0.00 C ATOM 1167 C ASP A 94 -8.230 3.322 -7.204 1.00 0.00 C ATOM 1168 O ASP A 94 -7.007 3.379 -7.317 1.00 0.00 O ATOM 1169 CB ASP A 94 -10.110 4.939 -6.893 1.00 0.00 C ATOM 1170 CG ASP A 94 -9.716 6.340 -6.466 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -9.146 7.076 -7.299 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -9.977 6.700 -5.300 1.00 0.00 O ATOM 0 H ASP A 94 -10.857 3.921 -9.012 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.501 5.129 -8.311 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.108 4.963 -7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.163 4.296 -6.015 1.00 0.00 H new ATOM 1177 N PHE A 95 -8.850 2.395 -6.484 1.00 0.00 N ATOM 1178 CA PHE A 95 -8.120 1.362 -5.759 1.00 0.00 C ATOM 1179 C PHE A 95 -7.260 0.524 -6.707 1.00 0.00 C ATOM 1180 O PHE A 95 -6.123 0.180 -6.386 1.00 0.00 O ATOM 1181 CB PHE A 95 -9.111 0.479 -4.995 1.00 0.00 C ATOM 1182 CG PHE A 95 -8.847 -0.998 -5.103 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -9.354 -1.722 -6.169 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -8.096 -1.660 -4.144 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -9.117 -3.078 -6.279 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -7.857 -3.015 -4.249 1.00 0.00 C ATOM 1187 CZ PHE A 95 -8.368 -3.726 -5.317 1.00 0.00 C ATOM 0 H PHE A 95 -9.864 2.338 -6.386 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.446 1.840 -5.048 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -9.093 0.762 -3.943 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -10.117 0.683 -5.362 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -9.942 -1.220 -6.923 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -7.694 -1.110 -3.306 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.517 -3.631 -7.116 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.270 -3.520 -3.496 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.182 -4.787 -5.400 1.00 0.00 H new ATOM 1197 N LYS A 96 -7.814 0.193 -7.871 1.00 0.00 N ATOM 1198 CA LYS A 96 -7.099 -0.612 -8.859 1.00 0.00 C ATOM 1199 C LYS A 96 -5.722 -0.026 -9.156 1.00 0.00 C ATOM 1200 O LYS A 96 -4.739 -0.756 -9.285 1.00 0.00 O ATOM 1201 CB LYS A 96 -7.911 -0.710 -10.151 1.00 0.00 C ATOM 1202 CG LYS A 96 -9.067 -1.694 -10.069 1.00 0.00 C ATOM 1203 CD LYS A 96 -10.049 -1.498 -11.213 1.00 0.00 C ATOM 1204 CE LYS A 96 -10.041 -2.681 -12.168 1.00 0.00 C ATOM 1205 NZ LYS A 96 -11.220 -3.567 -11.966 1.00 0.00 N ATOM 0 H LYS A 96 -8.754 0.469 -8.153 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.964 -1.610 -8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.301 0.277 -10.401 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.249 -1.006 -10.965 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.681 -2.713 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.585 -1.570 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.053 -1.361 -10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.797 -0.588 -11.758 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.032 -2.318 -13.196 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.126 -3.256 -12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.177 -4.361 -12.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.215 -3.935 -10.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.093 -3.025 -12.127 1.00 0.00 H new ATOM 1219 N ASN A 97 -5.659 1.295 -9.259 1.00 0.00 N ATOM 1220 CA ASN A 97 -4.401 1.980 -9.538 1.00 0.00 C ATOM 1221 C ASN A 97 -3.482 1.935 -8.323 1.00 0.00 C ATOM 1222 O ASN A 97 -2.263 1.832 -8.456 1.00 0.00 O ATOM 1223 CB ASN A 97 -4.665 3.434 -9.936 1.00 0.00 C ATOM 1224 CG ASN A 97 -3.772 3.894 -11.071 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -2.683 4.421 -10.846 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -4.232 3.698 -12.302 1.00 0.00 N ATOM 0 H ASN A 97 -6.463 1.914 -9.154 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.911 1.467 -10.366 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.709 3.543 -10.231 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.509 4.079 -9.071 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.676 3.988 -13.106 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.141 3.257 -12.443 1.00 0.00 H new ATOM 1233 N LEU A 98 -4.078 2.013 -7.139 1.00 0.00 N ATOM 1234 CA LEU A 98 -3.316 1.982 -5.898 1.00 0.00 C ATOM 1235 C LEU A 98 -2.738 0.595 -5.655 1.00 0.00 C ATOM 1236 O LEU A 98 -1.525 0.432 -5.541 1.00 0.00 O ATOM 1237 CB LEU A 98 -4.201 2.395 -4.721 1.00 0.00 C ATOM 1238 CG LEU A 98 -5.028 3.659 -4.951 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -6.202 3.718 -3.987 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -4.158 4.896 -4.811 1.00 0.00 C ATOM 0 H LEU A 98 -5.087 2.098 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.492 2.690 -5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.878 1.573 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.569 2.546 -3.846 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.424 3.629 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.777 4.626 -4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.841 2.848 -4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.831 3.722 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.763 5.787 -4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.732 4.929 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.354 4.860 -5.546 1.00 0.00 H new ATOM 1252 N LYS A 99 -3.610 -0.405 -5.584 1.00 0.00 N ATOM 1253 CA LYS A 99 -3.166 -1.778 -5.365 1.00 0.00 C ATOM 1254 C LYS A 99 -2.165 -2.183 -6.438 1.00 0.00 C ATOM 1255 O LYS A 99 -1.232 -2.941 -6.180 1.00 0.00 O ATOM 1256 CB LYS A 99 -4.354 -2.745 -5.367 1.00 0.00 C ATOM 1257 CG LYS A 99 -5.264 -2.596 -6.577 1.00 0.00 C ATOM 1258 CD LYS A 99 -5.561 -3.943 -7.220 1.00 0.00 C ATOM 1259 CE LYS A 99 -5.829 -3.806 -8.710 1.00 0.00 C ATOM 1260 NZ LYS A 99 -5.117 -4.848 -9.500 1.00 0.00 N ATOM 0 H LYS A 99 -4.620 -0.293 -5.674 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.684 -1.827 -4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.978 -3.768 -5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.940 -2.588 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.198 -2.122 -6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.794 -1.938 -7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.718 -4.616 -7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.426 -4.396 -6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.901 -3.880 -8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.515 -2.818 -9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.326 -4.720 -10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.092 -4.762 -9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.435 -5.791 -9.197 1.00 0.00 H new ATOM 1274 N THR A 100 -2.363 -1.655 -7.640 1.00 0.00 N ATOM 1275 CA THR A 100 -1.478 -1.941 -8.757 1.00 0.00 C ATOM 1276 C THR A 100 -0.112 -1.308 -8.517 1.00 0.00 C ATOM 1277 O THR A 100 0.914 -1.990 -8.538 1.00 0.00 O ATOM 1278 CB THR A 100 -2.098 -1.418 -10.058 1.00 0.00 C ATOM 1279 OG1 THR A 100 -3.088 -2.313 -10.533 1.00 0.00 O ATOM 1280 CG2 THR A 100 -1.098 -1.212 -11.176 1.00 0.00 C ATOM 0 H THR A 100 -3.133 -1.024 -7.864 1.00 0.00 H new ATOM 0 HA THR A 100 -1.345 -3.019 -8.844 1.00 0.00 H new ATOM 0 HB THR A 100 -2.522 -0.448 -9.797 1.00 0.00 H new ATOM 0 HG1 THR A 100 -3.975 -1.984 -10.278 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.614 -0.841 -12.062 1.00 0.00 H new ATOM 0 HG22 THR A 100 -0.347 -0.487 -10.863 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.613 -2.160 -11.409 1.00 0.00 H new ATOM 1288 N LYS A 101 -0.107 -0.001 -8.277 1.00 0.00 N ATOM 1289 CA LYS A 101 1.132 0.715 -8.020 1.00 0.00 C ATOM 1290 C LYS A 101 1.787 0.181 -6.752 1.00 0.00 C ATOM 1291 O LYS A 101 3.009 0.093 -6.658 1.00 0.00 O ATOM 1292 CB LYS A 101 0.863 2.222 -7.897 1.00 0.00 C ATOM 1293 CG LYS A 101 0.387 2.665 -6.520 1.00 0.00 C ATOM 1294 CD LYS A 101 0.357 4.180 -6.403 1.00 0.00 C ATOM 1295 CE LYS A 101 1.606 4.712 -5.717 1.00 0.00 C ATOM 1296 NZ LYS A 101 2.548 5.338 -6.685 1.00 0.00 N ATOM 0 H LYS A 101 -0.945 0.580 -8.256 1.00 0.00 H new ATOM 0 HA LYS A 101 1.812 0.558 -8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.776 2.763 -8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.114 2.507 -8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.609 2.265 -6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.046 2.253 -5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.271 4.621 -7.396 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.526 4.485 -5.841 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.321 5.445 -4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.109 3.897 -5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.386 5.688 -6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.840 4.632 -7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.077 6.132 -7.164 1.00 0.00 H new ATOM 1310 N TYR A 102 0.950 -0.176 -5.782 1.00 0.00 N ATOM 1311 CA TYR A 102 1.417 -0.706 -4.508 1.00 0.00 C ATOM 1312 C TYR A 102 2.164 -2.023 -4.709 1.00 0.00 C ATOM 1313 O TYR A 102 3.153 -2.294 -4.027 1.00 0.00 O ATOM 1314 CB TYR A 102 0.221 -0.877 -3.562 1.00 0.00 C ATOM 1315 CG TYR A 102 0.378 -1.951 -2.507 1.00 0.00 C ATOM 1316 CD1 TYR A 102 1.354 -1.858 -1.520 1.00 0.00 C ATOM 1317 CD2 TYR A 102 -0.468 -3.051 -2.492 1.00 0.00 C ATOM 1318 CE1 TYR A 102 1.481 -2.837 -0.551 1.00 0.00 C ATOM 1319 CE2 TYR A 102 -0.350 -4.028 -1.525 1.00 0.00 C ATOM 1320 CZ TYR A 102 0.625 -3.917 -0.559 1.00 0.00 C ATOM 1321 OH TYR A 102 0.741 -4.888 0.403 1.00 0.00 O ATOM 0 H TYR A 102 -0.065 -0.106 -5.857 1.00 0.00 H new ATOM 0 HA TYR A 102 2.120 -0.004 -4.060 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.035 0.074 -3.063 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.663 -1.103 -4.158 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.022 -1.009 -1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.232 -3.144 -3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.246 -2.755 0.207 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.019 -4.876 -1.526 1.00 0.00 H new ATOM 0 HH TYR A 102 0.247 -4.615 1.204 1.00 0.00 H new ATOM 1331 N GLN A 103 1.695 -2.832 -5.653 1.00 0.00 N ATOM 1332 CA GLN A 103 2.334 -4.111 -5.945 1.00 0.00 C ATOM 1333 C GLN A 103 3.787 -3.901 -6.356 1.00 0.00 C ATOM 1334 O GLN A 103 4.697 -4.511 -5.796 1.00 0.00 O ATOM 1335 CB GLN A 103 1.582 -4.844 -7.058 1.00 0.00 C ATOM 1336 CG GLN A 103 0.218 -5.367 -6.637 1.00 0.00 C ATOM 1337 CD GLN A 103 0.012 -6.822 -7.006 1.00 0.00 C ATOM 1338 OE1 GLN A 103 0.155 -7.714 -6.170 1.00 0.00 O ATOM 1339 NE2 GLN A 103 -0.326 -7.069 -8.266 1.00 0.00 N ATOM 0 H GLN A 103 0.878 -2.626 -6.227 1.00 0.00 H new ATOM 0 HA GLN A 103 2.307 -4.719 -5.040 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.456 -4.169 -7.904 1.00 0.00 H new ATOM 0 HB3 GLN A 103 2.190 -5.680 -7.405 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.105 -5.250 -5.559 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.559 -4.764 -7.106 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.434 -6.298 -8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.478 -8.029 -8.574 1.00 0.00 H new ATOM 1348 N SER A 104 3.995 -3.026 -7.335 1.00 0.00 N ATOM 1349 CA SER A 104 5.338 -2.724 -7.823 1.00 0.00 C ATOM 1350 C SER A 104 6.254 -2.317 -6.677 1.00 0.00 C ATOM 1351 O SER A 104 7.448 -2.613 -6.686 1.00 0.00 O ATOM 1352 CB SER A 104 5.281 -1.595 -8.851 1.00 0.00 C ATOM 1353 OG SER A 104 6.193 -1.822 -9.912 1.00 0.00 O ATOM 0 H SER A 104 3.251 -2.513 -7.807 1.00 0.00 H new ATOM 0 HA SER A 104 5.738 -3.624 -8.289 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.270 -1.512 -9.249 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.511 -0.646 -8.366 1.00 0.00 H new ATOM 0 HG SER A 104 6.135 -1.086 -10.556 1.00 0.00 H new ATOM 1359 N LEU A 105 5.688 -1.627 -5.696 1.00 0.00 N ATOM 1360 CA LEU A 105 6.454 -1.169 -4.549 1.00 0.00 C ATOM 1361 C LEU A 105 7.025 -2.341 -3.771 1.00 0.00 C ATOM 1362 O LEU A 105 8.216 -2.374 -3.472 1.00 0.00 O ATOM 1363 CB LEU A 105 5.575 -0.320 -3.632 1.00 0.00 C ATOM 1364 CG LEU A 105 4.902 0.872 -4.306 1.00 0.00 C ATOM 1365 CD1 LEU A 105 3.913 1.533 -3.360 1.00 0.00 C ATOM 1366 CD2 LEU A 105 5.948 1.869 -4.774 1.00 0.00 C ATOM 0 H LEU A 105 4.700 -1.373 -5.673 1.00 0.00 H new ATOM 0 HA LEU A 105 7.282 -0.563 -4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.803 -0.958 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.185 0.046 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 105 4.351 0.515 -5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.443 2.381 -3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.148 0.812 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.438 1.881 -2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.455 2.715 -5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.523 2.221 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.617 1.387 -5.487 1.00 0.00 H new ATOM 1378 N GLN A 106 6.174 -3.305 -3.448 1.00 0.00 N ATOM 1379 CA GLN A 106 6.622 -4.479 -2.702 1.00 0.00 C ATOM 1380 C GLN A 106 7.696 -5.216 -3.491 1.00 0.00 C ATOM 1381 O GLN A 106 8.663 -5.726 -2.927 1.00 0.00 O ATOM 1382 CB GLN A 106 5.464 -5.443 -2.398 1.00 0.00 C ATOM 1383 CG GLN A 106 4.078 -4.845 -2.561 1.00 0.00 C ATOM 1384 CD GLN A 106 3.013 -5.658 -1.850 1.00 0.00 C ATOM 1385 OE1 GLN A 106 3.276 -6.275 -0.819 1.00 0.00 O ATOM 1386 NE2 GLN A 106 1.805 -5.668 -2.398 1.00 0.00 N ATOM 0 H GLN A 106 5.182 -3.301 -3.686 1.00 0.00 H new ATOM 0 HA GLN A 106 7.027 -4.128 -1.753 1.00 0.00 H new ATOM 0 HB2 GLN A 106 5.550 -6.310 -3.053 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.570 -5.805 -1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.076 -3.827 -2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.835 -4.780 -3.622 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.629 -5.142 -3.254 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.052 -6.201 -1.963 1.00 0.00 H new ATOM 1395 N GLN A 107 7.505 -5.265 -4.803 1.00 0.00 N ATOM 1396 CA GLN A 107 8.438 -5.938 -5.697 1.00 0.00 C ATOM 1397 C GLN A 107 9.759 -5.181 -5.788 1.00 0.00 C ATOM 1398 O GLN A 107 10.830 -5.752 -5.582 1.00 0.00 O ATOM 1399 CB GLN A 107 7.789 -6.089 -7.083 1.00 0.00 C ATOM 1400 CG GLN A 107 8.419 -5.256 -8.191 1.00 0.00 C ATOM 1401 CD GLN A 107 7.909 -5.640 -9.567 1.00 0.00 C ATOM 1402 OE1 GLN A 107 6.865 -5.162 -10.010 1.00 0.00 O ATOM 1403 NE2 GLN A 107 8.646 -6.509 -10.249 1.00 0.00 N ATOM 0 H GLN A 107 6.705 -4.843 -5.275 1.00 0.00 H new ATOM 0 HA GLN A 107 8.664 -6.927 -5.298 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.830 -7.139 -7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.735 -5.821 -7.004 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.211 -4.201 -8.011 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.502 -5.377 -8.161 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.505 -6.879 -9.842 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.353 -6.806 -11.180 1.00 0.00 H new ATOM 1412 N SER A 108 9.674 -3.896 -6.108 1.00 0.00 N ATOM 1413 CA SER A 108 10.866 -3.060 -6.238 1.00 0.00 C ATOM 1414 C SER A 108 11.677 -3.055 -4.946 1.00 0.00 C ATOM 1415 O SER A 108 12.908 -3.003 -4.968 1.00 0.00 O ATOM 1416 CB SER A 108 10.472 -1.630 -6.610 1.00 0.00 C ATOM 1417 OG SER A 108 11.607 -0.783 -6.652 1.00 0.00 O ATOM 0 H SER A 108 8.795 -3.409 -6.282 1.00 0.00 H new ATOM 0 HA SER A 108 11.486 -3.479 -7.031 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.976 -1.627 -7.581 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.755 -1.247 -5.884 1.00 0.00 H new ATOM 0 HG SER A 108 11.329 0.125 -6.893 1.00 0.00 H new ATOM 1423 N TYR A 109 10.974 -3.101 -3.823 1.00 0.00 N ATOM 1424 CA TYR A 109 11.612 -3.091 -2.514 1.00 0.00 C ATOM 1425 C TYR A 109 12.049 -4.491 -2.101 1.00 0.00 C ATOM 1426 O TYR A 109 13.163 -4.682 -1.614 1.00 0.00 O ATOM 1427 CB TYR A 109 10.647 -2.478 -1.492 1.00 0.00 C ATOM 1428 CG TYR A 109 10.445 -3.263 -0.213 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.519 -3.640 0.580 1.00 0.00 C ATOM 1430 CD2 TYR A 109 9.169 -3.604 0.208 1.00 0.00 C ATOM 1431 CE1 TYR A 109 11.329 -4.339 1.753 1.00 0.00 C ATOM 1432 CE2 TYR A 109 8.966 -4.300 1.379 1.00 0.00 C ATOM 1433 CZ TYR A 109 10.050 -4.668 2.150 1.00 0.00 C ATOM 1434 OH TYR A 109 9.853 -5.364 3.320 1.00 0.00 O ATOM 0 H TYR A 109 9.955 -3.146 -3.793 1.00 0.00 H new ATOM 0 HA TYR A 109 12.515 -2.482 -2.559 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.010 -1.484 -1.231 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.677 -2.347 -1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.522 -3.381 0.273 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.318 -3.319 -0.393 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.177 -4.627 2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.965 -4.556 1.692 1.00 0.00 H new ATOM 0 HH TYR A 109 10.225 -4.855 4.070 1.00 0.00 H new ATOM 1444 N ASN A 110 11.171 -5.470 -2.292 1.00 0.00 N ATOM 1445 CA ASN A 110 11.490 -6.845 -1.928 1.00 0.00 C ATOM 1446 C ASN A 110 12.835 -7.250 -2.518 1.00 0.00 C ATOM 1447 O ASN A 110 13.653 -7.887 -1.854 1.00 0.00 O ATOM 1448 CB ASN A 110 10.396 -7.802 -2.406 1.00 0.00 C ATOM 1449 CG ASN A 110 9.254 -7.917 -1.416 1.00 0.00 C ATOM 1450 OD1 ASN A 110 9.459 -7.853 -0.204 1.00 0.00 O ATOM 1451 ND2 ASN A 110 8.041 -8.088 -1.929 1.00 0.00 N ATOM 0 H ASN A 110 10.242 -5.339 -2.693 1.00 0.00 H new ATOM 0 HA ASN A 110 11.548 -6.905 -0.841 1.00 0.00 H new ATOM 0 HB2 ASN A 110 10.009 -7.457 -3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.828 -8.788 -2.574 1.00 0.00 H new ATOM 0 HD21 ASN A 110 7.233 -8.172 -1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 110 7.917 -8.135 -2.940 1.00 0.00 H new ATOM 1458 N GLN A 111 13.069 -6.857 -3.763 1.00 0.00 N ATOM 1459 CA GLN A 111 14.331 -7.166 -4.415 1.00 0.00 C ATOM 1460 C GLN A 111 15.462 -6.435 -3.712 1.00 0.00 C ATOM 1461 O GLN A 111 16.405 -7.051 -3.219 1.00 0.00 O ATOM 1462 CB GLN A 111 14.305 -6.782 -5.898 1.00 0.00 C ATOM 1463 CG GLN A 111 13.802 -5.376 -6.181 1.00 0.00 C ATOM 1464 CD GLN A 111 13.337 -5.207 -7.613 1.00 0.00 C ATOM 1465 OE1 GLN A 111 12.157 -5.380 -7.921 1.00 0.00 O ATOM 1466 NE2 GLN A 111 14.266 -4.871 -8.500 1.00 0.00 N ATOM 0 H GLN A 111 12.409 -6.330 -4.335 1.00 0.00 H new ATOM 0 HA GLN A 111 14.491 -8.242 -4.350 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.312 -6.881 -6.303 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.675 -7.493 -6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 111 12.979 -5.144 -5.505 1.00 0.00 H new ATOM 0 HG3 GLN A 111 14.597 -4.660 -5.973 1.00 0.00 H new ATOM 0 HE21 GLN A 111 15.232 -4.738 -8.201 1.00 0.00 H new ATOM 0 HE22 GLN A 111 14.014 -4.746 -9.480 1.00 0.00 H new ATOM 1475 N ARG A 112 15.344 -5.112 -3.659 1.00 0.00 N ATOM 1476 CA ARG A 112 16.339 -4.269 -3.008 1.00 0.00 C ATOM 1477 C ARG A 112 16.686 -4.805 -1.625 1.00 0.00 C ATOM 1478 O ARG A 112 17.852 -4.826 -1.230 1.00 0.00 O ATOM 1479 CB ARG A 112 15.813 -2.838 -2.889 1.00 0.00 C ATOM 1480 CG ARG A 112 16.340 -1.908 -3.967 1.00 0.00 C ATOM 1481 CD ARG A 112 16.894 -0.622 -3.372 1.00 0.00 C ATOM 1482 NE ARG A 112 16.468 0.558 -4.121 1.00 0.00 N ATOM 1483 CZ ARG A 112 15.277 1.136 -3.980 1.00 0.00 C ATOM 1484 NH1 ARG A 112 14.390 0.646 -3.121 1.00 0.00 N ATOM 1485 NH2 ARG A 112 14.971 2.208 -4.699 1.00 0.00 N ATOM 0 H ARG A 112 14.561 -4.598 -4.063 1.00 0.00 H new ATOM 0 HA ARG A 112 17.242 -4.275 -3.618 1.00 0.00 H new ATOM 0 HB2 ARG A 112 14.724 -2.855 -2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.085 -2.439 -1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 112 17.121 -2.413 -4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 112 15.539 -1.671 -4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 112 16.566 -0.531 -2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 112 17.983 -0.669 -3.359 1.00 0.00 H new ATOM 0 HE ARG A 112 17.122 0.963 -4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 112 14.620 -0.178 -2.565 1.00 0.00 H new ATOM 0 HH12 ARG A 112 13.479 1.093 -3.018 1.00 0.00 H new ATOM 0 HH21 ARG A 112 15.648 2.589 -5.360 1.00 0.00 H new ATOM 0 HH22 ARG A 112 14.059 2.651 -4.591 1.00 0.00 H new ATOM 1499 N LYS A 113 15.665 -5.236 -0.894 1.00 0.00 N ATOM 1500 CA LYS A 113 15.868 -5.771 0.446 1.00 0.00 C ATOM 1501 C LYS A 113 16.739 -7.025 0.397 1.00 0.00 C ATOM 1502 O LYS A 113 17.452 -7.337 1.351 1.00 0.00 O ATOM 1503 CB LYS A 113 14.517 -6.052 1.129 1.00 0.00 C ATOM 1504 CG LYS A 113 13.917 -7.423 0.838 1.00 0.00 C ATOM 1505 CD LYS A 113 13.320 -8.043 2.092 1.00 0.00 C ATOM 1506 CE LYS A 113 11.959 -7.445 2.415 1.00 0.00 C ATOM 1507 NZ LYS A 113 10.973 -8.489 2.809 1.00 0.00 N ATOM 0 H LYS A 113 14.693 -5.226 -1.205 1.00 0.00 H new ATOM 0 HA LYS A 113 16.392 -5.024 1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 113 14.644 -5.950 2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.805 -5.288 0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.146 -7.330 0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 113 14.687 -8.081 0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 113 13.222 -9.120 1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 113 13.996 -7.888 2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.063 -6.721 3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 113 11.586 -6.902 1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.059 -8.041 3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.854 -9.166 2.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.317 -8.990 3.653 1.00 0.00 H new ATOM 1521 N SER A 114 16.682 -7.732 -0.728 1.00 0.00 N ATOM 1522 CA SER A 114 17.471 -8.945 -0.912 1.00 0.00 C ATOM 1523 C SER A 114 18.886 -8.608 -1.378 1.00 0.00 C ATOM 1524 O SER A 114 19.821 -9.379 -1.162 1.00 0.00 O ATOM 1525 CB SER A 114 16.795 -9.867 -1.928 1.00 0.00 C ATOM 1526 OG SER A 114 17.088 -11.227 -1.657 1.00 0.00 O ATOM 0 H SER A 114 16.097 -7.485 -1.526 1.00 0.00 H new ATOM 0 HA SER A 114 17.535 -9.457 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 114 15.716 -9.712 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 114 17.130 -9.613 -2.934 1.00 0.00 H new ATOM 0 HG SER A 114 16.643 -11.796 -2.319 1.00 0.00 H new