USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=25 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 30:sc= -0.952! USER MOD Set 1.2: A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 102 TYR OH : rot -153:sc= -5.79! USER MOD Set 2.2: A 103 GLN : amide:sc= 0 X(o=-8.2,f=-8.2) USER MOD Set 2.3: A 106 GLN : amide:sc= -2.42 X(o=-8.2,f=-8.6!) USER MOD Set 3.1: A 40 GLN : amide:sc= -0.101 K(o=-2.9,f=-5.3!) USER MOD Set 3.2: A 72 CYS SG : rot 25:sc= -2.83! USER MOD Set 4.1: A 27 THR OG1 : rot -150:sc= -2.06! USER MOD Set 4.2: A 88 ASN : amide:sc= -0.0214 K(o=-2.1,f=-3.3) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.376 USER MOD Single : A 46 LYS NZ :NH3+ -120:sc= -0.308 (180deg=-1.71!) USER MOD Single : A 48 CYS SG : rot -54:sc= -10! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.102 (180deg=-0.586) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= -2.23 (180deg=-2.49!) USER MOD Single : A 66 THR OG1 : rot -41:sc= 0.946 USER MOD Single : A 71 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.4) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 82:sc= 1.06 USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= -0.0743 (180deg=-0.5) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -5.42! K(o=-5.4!,f=-2.6) USER MOD Single : A 86 HIS : no HD1:sc= -1.67! K(o=-1.7!,f=-0.67) USER MOD Single : A 87 GLN : amide:sc= -8.13! C(o=-8.1!,f=-8.3!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -81:sc= -0.293 USER MOD Single : A 96 LYS NZ :NH3+ 156:sc= -0.129 (180deg=-0.574) USER MOD Single : A 97 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 104:sc= 1.21 USER MOD Single : A 101 LYS NZ :NH3+ 140:sc= -0.691 (180deg=-2.45!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.082) USER MOD Single : A 108 SER OG : rot 80:sc= 0.224 USER MOD Single : A 110 ASN : amide:sc= -1.69 K(o=-1.7,f=-2.6!) USER MOD Single : A 111 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.4!) USER MOD Single : A 114 SER OG : rot 77:sc= 0.15 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -20.327 2.745 -3.474 1.00 0.00 N ATOM 71 CA THR A 27 -19.038 3.262 -3.887 1.00 0.00 C ATOM 72 C THR A 27 -18.320 3.863 -2.682 1.00 0.00 C ATOM 73 O THR A 27 -17.093 3.822 -2.592 1.00 0.00 O ATOM 74 CB THR A 27 -19.220 4.293 -5.007 1.00 0.00 C ATOM 75 OG1 THR A 27 -18.837 3.747 -6.256 1.00 0.00 O ATOM 76 CG2 THR A 27 -18.426 5.561 -4.803 1.00 0.00 C ATOM 0 HA THR A 27 -18.424 2.452 -4.280 1.00 0.00 H new ATOM 0 HB THR A 27 -20.280 4.546 -4.988 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.501 4.462 -6.836 1.00 0.00 H new ATOM 0 HG21 THR A 27 -18.606 6.241 -5.635 1.00 0.00 H new ATOM 0 HG22 THR A 27 -18.734 6.037 -3.872 1.00 0.00 H new ATOM 0 HG23 THR A 27 -17.364 5.321 -4.754 1.00 0.00 H new ATOM 84 N LYS A 28 -19.100 4.400 -1.743 1.00 0.00 N ATOM 85 CA LYS A 28 -18.540 4.983 -0.531 1.00 0.00 C ATOM 86 C LYS A 28 -17.734 3.928 0.213 1.00 0.00 C ATOM 87 O LYS A 28 -16.655 4.205 0.737 1.00 0.00 O ATOM 88 CB LYS A 28 -19.653 5.531 0.368 1.00 0.00 C ATOM 89 CG LYS A 28 -19.591 7.037 0.561 1.00 0.00 C ATOM 90 CD LYS A 28 -18.377 7.445 1.381 1.00 0.00 C ATOM 91 CE LYS A 28 -18.566 7.129 2.857 1.00 0.00 C ATOM 92 NZ LYS A 28 -18.706 8.365 3.675 1.00 0.00 N ATOM 0 H LYS A 28 -20.117 4.442 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.886 5.811 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -20.619 5.267 -0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -19.594 5.045 1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.556 7.528 -0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -20.499 7.379 1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.494 6.926 1.008 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.196 8.513 1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.452 6.507 2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.715 6.550 3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.833 8.107 4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.850 8.947 3.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.533 8.905 3.349 1.00 0.00 H new ATOM 106 N GLU A 29 -18.262 2.706 0.232 1.00 0.00 N ATOM 107 CA GLU A 29 -17.587 1.596 0.884 1.00 0.00 C ATOM 108 C GLU A 29 -16.236 1.363 0.222 1.00 0.00 C ATOM 109 O GLU A 29 -15.241 1.082 0.890 1.00 0.00 O ATOM 110 CB GLU A 29 -18.444 0.330 0.800 1.00 0.00 C ATOM 111 CG GLU A 29 -19.306 0.099 2.030 1.00 0.00 C ATOM 112 CD GLU A 29 -19.544 -1.373 2.306 1.00 0.00 C ATOM 113 OE1 GLU A 29 -19.911 -2.103 1.362 1.00 0.00 O ATOM 114 OE2 GLU A 29 -19.364 -1.795 3.468 1.00 0.00 O ATOM 0 H GLU A 29 -19.155 2.464 -0.198 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.434 1.838 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -19.087 0.394 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.792 -0.532 0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -18.826 0.555 2.896 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -20.265 0.600 1.897 1.00 0.00 H new ATOM 121 N LEU A 30 -16.211 1.506 -1.100 1.00 0.00 N ATOM 122 CA LEU A 30 -14.985 1.335 -1.866 1.00 0.00 C ATOM 123 C LEU A 30 -13.994 2.438 -1.516 1.00 0.00 C ATOM 124 O LEU A 30 -12.853 2.166 -1.141 1.00 0.00 O ATOM 125 CB LEU A 30 -15.297 1.339 -3.366 1.00 0.00 C ATOM 126 CG LEU A 30 -14.171 1.821 -4.284 1.00 0.00 C ATOM 127 CD1 LEU A 30 -13.024 0.823 -4.287 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.697 2.042 -5.694 1.00 0.00 C ATOM 0 H LEU A 30 -17.029 1.740 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.535 0.375 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.572 0.327 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.170 1.969 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.795 2.771 -3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.232 1.181 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.634 0.714 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.383 -0.143 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.885 2.385 -6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.097 1.106 -6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.486 2.794 -5.674 1.00 0.00 H new ATOM 140 N SER A 31 -14.445 3.686 -1.620 1.00 0.00 N ATOM 141 CA SER A 31 -13.601 4.829 -1.291 1.00 0.00 C ATOM 142 C SER A 31 -13.003 4.649 0.102 1.00 0.00 C ATOM 143 O SER A 31 -11.948 5.197 0.410 1.00 0.00 O ATOM 144 CB SER A 31 -14.410 6.126 -1.351 1.00 0.00 C ATOM 145 OG SER A 31 -13.569 7.241 -1.589 1.00 0.00 O ATOM 0 H SER A 31 -15.386 3.930 -1.928 1.00 0.00 H new ATOM 0 HA SER A 31 -12.794 4.890 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.158 6.056 -2.141 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.948 6.266 -0.414 1.00 0.00 H new ATOM 0 HG SER A 31 -14.110 8.057 -1.624 1.00 0.00 H new ATOM 151 N ASN A 32 -13.682 3.856 0.934 1.00 0.00 N ATOM 152 CA ASN A 32 -13.207 3.580 2.281 1.00 0.00 C ATOM 153 C ASN A 32 -11.981 2.681 2.211 1.00 0.00 C ATOM 154 O ASN A 32 -11.019 2.859 2.959 1.00 0.00 O ATOM 155 CB ASN A 32 -14.307 2.916 3.114 1.00 0.00 C ATOM 156 CG ASN A 32 -14.767 3.790 4.264 1.00 0.00 C ATOM 157 OD1 ASN A 32 -14.341 3.610 5.405 1.00 0.00 O ATOM 158 ND2 ASN A 32 -15.644 4.743 3.969 1.00 0.00 N ATOM 0 H ASN A 32 -14.561 3.397 0.694 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.938 4.520 2.763 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.158 2.688 2.472 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -13.940 1.968 3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.991 5.361 4.702 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.970 4.857 3.009 1.00 0.00 H new ATOM 165 N LEU A 33 -12.013 1.731 1.279 1.00 0.00 N ATOM 166 CA LEU A 33 -10.892 0.822 1.080 1.00 0.00 C ATOM 167 C LEU A 33 -9.757 1.581 0.413 1.00 0.00 C ATOM 168 O LEU A 33 -8.591 1.439 0.779 1.00 0.00 O ATOM 169 CB LEU A 33 -11.300 -0.376 0.214 1.00 0.00 C ATOM 170 CG LEU A 33 -12.744 -0.854 0.388 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.160 -1.723 -0.787 1.00 0.00 C ATOM 172 CD2 LEU A 33 -12.903 -1.608 1.699 1.00 0.00 C ATOM 0 H LEU A 33 -12.802 1.573 0.652 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.570 0.440 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.146 -0.114 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.631 -1.207 0.437 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.396 0.019 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.189 -2.055 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.086 -1.147 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.504 -2.591 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.936 -1.940 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.241 -2.474 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.646 -0.951 2.530 1.00 0.00 H new ATOM 184 N ILE A 34 -10.122 2.412 -0.554 1.00 0.00 N ATOM 185 CA ILE A 34 -9.155 3.231 -1.263 1.00 0.00 C ATOM 186 C ILE A 34 -8.573 4.268 -0.311 1.00 0.00 C ATOM 187 O ILE A 34 -7.362 4.481 -0.269 1.00 0.00 O ATOM 188 CB ILE A 34 -9.810 3.935 -2.470 1.00 0.00 C ATOM 189 CG1 ILE A 34 -10.059 2.932 -3.596 1.00 0.00 C ATOM 190 CG2 ILE A 34 -8.957 5.094 -2.967 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.777 3.525 -4.786 1.00 0.00 C ATOM 0 H ILE A 34 -11.086 2.535 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.359 2.587 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.766 4.344 -2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.104 2.523 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.645 2.099 -3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.447 5.568 -3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.833 5.824 -2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.979 4.721 -3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.919 2.756 -5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.748 3.908 -4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.183 4.339 -5.201 1.00 0.00 H new ATOM 203 N GLU A 35 -9.451 4.902 0.460 1.00 0.00 N ATOM 204 CA GLU A 35 -9.035 5.908 1.426 1.00 0.00 C ATOM 205 C GLU A 35 -7.965 5.335 2.343 1.00 0.00 C ATOM 206 O GLU A 35 -7.030 6.033 2.741 1.00 0.00 O ATOM 207 CB GLU A 35 -10.231 6.389 2.249 1.00 0.00 C ATOM 208 CG GLU A 35 -10.984 7.545 1.611 1.00 0.00 C ATOM 209 CD GLU A 35 -10.246 8.863 1.742 1.00 0.00 C ATOM 210 OE1 GLU A 35 -9.008 8.869 1.579 1.00 0.00 O ATOM 211 OE2 GLU A 35 -10.907 9.889 2.008 1.00 0.00 O ATOM 0 H GLU A 35 -10.457 4.735 0.433 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.623 6.760 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.918 5.556 2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.883 6.694 3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.149 7.328 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.966 7.635 2.075 1.00 0.00 H new ATOM 218 N THR A 36 -8.092 4.048 2.653 1.00 0.00 N ATOM 219 CA THR A 36 -7.117 3.383 3.498 1.00 0.00 C ATOM 220 C THR A 36 -5.892 3.043 2.666 1.00 0.00 C ATOM 221 O THR A 36 -4.760 3.171 3.126 1.00 0.00 O ATOM 222 CB THR A 36 -7.723 2.134 4.166 1.00 0.00 C ATOM 223 OG1 THR A 36 -7.172 1.948 5.457 1.00 0.00 O ATOM 224 CG2 THR A 36 -7.522 0.837 3.402 1.00 0.00 C ATOM 0 H THR A 36 -8.856 3.452 2.333 1.00 0.00 H new ATOM 0 HA THR A 36 -6.817 4.051 4.305 1.00 0.00 H new ATOM 0 HB THR A 36 -8.793 2.338 4.195 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.567 1.152 5.870 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.983 0.016 3.951 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.983 0.919 2.418 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.455 0.643 3.288 1.00 0.00 H new ATOM 232 N PHE A 37 -6.128 2.640 1.418 1.00 0.00 N ATOM 233 CA PHE A 37 -5.039 2.318 0.510 1.00 0.00 C ATOM 234 C PHE A 37 -4.166 3.547 0.328 1.00 0.00 C ATOM 235 O PHE A 37 -2.940 3.462 0.342 1.00 0.00 O ATOM 236 CB PHE A 37 -5.574 1.851 -0.844 1.00 0.00 C ATOM 237 CG PHE A 37 -4.587 1.045 -1.651 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.546 0.349 -1.041 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.697 0.994 -3.029 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.644 -0.375 -1.798 1.00 0.00 C ATOM 241 CE2 PHE A 37 -3.798 0.270 -3.786 1.00 0.00 C ATOM 242 CZ PHE A 37 -2.770 -0.413 -3.170 1.00 0.00 C ATOM 0 H PHE A 37 -7.060 2.531 1.018 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.452 1.505 0.937 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.470 1.252 -0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.875 2.723 -1.424 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.443 0.375 0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.497 1.528 -3.519 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.841 -0.911 -1.314 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.900 0.238 -4.861 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.065 -0.977 -3.762 1.00 0.00 H new ATOM 252 N ALA A 38 -4.816 4.698 0.184 1.00 0.00 N ATOM 253 CA ALA A 38 -4.106 5.957 0.033 1.00 0.00 C ATOM 254 C ALA A 38 -3.211 6.187 1.241 1.00 0.00 C ATOM 255 O ALA A 38 -2.090 6.680 1.116 1.00 0.00 O ATOM 256 CB ALA A 38 -5.090 7.106 -0.131 1.00 0.00 C ATOM 0 H ALA A 38 -5.832 4.781 0.169 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.486 5.912 -0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.542 8.041 -0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.703 6.937 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.731 7.164 0.749 1.00 0.00 H new ATOM 262 N GLU A 39 -3.710 5.796 2.413 1.00 0.00 N ATOM 263 CA GLU A 39 -2.950 5.928 3.647 1.00 0.00 C ATOM 264 C GLU A 39 -1.856 4.865 3.678 1.00 0.00 C ATOM 265 O GLU A 39 -0.699 5.153 3.986 1.00 0.00 O ATOM 266 CB GLU A 39 -3.884 5.803 4.861 1.00 0.00 C ATOM 267 CG GLU A 39 -3.330 4.962 6.004 1.00 0.00 C ATOM 268 CD GLU A 39 -3.986 5.280 7.333 1.00 0.00 C ATOM 269 OE1 GLU A 39 -4.216 6.476 7.611 1.00 0.00 O ATOM 270 OE2 GLU A 39 -4.271 4.333 8.096 1.00 0.00 O ATOM 0 H GLU A 39 -4.637 5.386 2.530 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.482 6.912 3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.105 6.802 5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.829 5.369 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.473 3.906 5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.256 5.128 6.084 1.00 0.00 H new ATOM 277 N GLN A 40 -2.236 3.638 3.334 1.00 0.00 N ATOM 278 CA GLN A 40 -1.300 2.528 3.294 1.00 0.00 C ATOM 279 C GLN A 40 -0.201 2.818 2.280 1.00 0.00 C ATOM 280 O GLN A 40 0.960 2.461 2.482 1.00 0.00 O ATOM 281 CB GLN A 40 -2.026 1.232 2.928 1.00 0.00 C ATOM 282 CG GLN A 40 -3.194 0.908 3.845 1.00 0.00 C ATOM 283 CD GLN A 40 -2.800 0.004 4.994 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.622 -0.291 5.192 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.789 -0.440 5.758 1.00 0.00 N ATOM 0 H GLN A 40 -3.192 3.390 3.078 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.853 2.407 4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.390 1.306 1.903 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.314 0.407 2.955 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.607 1.835 4.242 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.984 0.430 3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.751 -0.169 5.555 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.587 -1.053 6.548 1.00 0.00 H new ATOM 294 N SER A 41 -0.579 3.488 1.192 1.00 0.00 N ATOM 295 CA SER A 41 0.368 3.852 0.149 1.00 0.00 C ATOM 296 C SER A 41 1.441 4.758 0.732 1.00 0.00 C ATOM 297 O SER A 41 2.634 4.529 0.544 1.00 0.00 O ATOM 298 CB SER A 41 -0.349 4.554 -1.007 1.00 0.00 C ATOM 299 OG SER A 41 -0.427 3.713 -2.145 1.00 0.00 O ATOM 0 H SER A 41 -1.537 3.788 1.013 1.00 0.00 H new ATOM 0 HA SER A 41 0.834 2.946 -0.240 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.353 4.843 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.181 5.471 -1.264 1.00 0.00 H new ATOM 0 HG SER A 41 -0.891 4.184 -2.869 1.00 0.00 H new ATOM 305 N ARG A 42 1.005 5.771 1.473 1.00 0.00 N ATOM 306 CA ARG A 42 1.933 6.687 2.117 1.00 0.00 C ATOM 307 C ARG A 42 2.697 5.935 3.194 1.00 0.00 C ATOM 308 O ARG A 42 3.863 6.214 3.460 1.00 0.00 O ATOM 309 CB ARG A 42 1.202 7.884 2.736 1.00 0.00 C ATOM 310 CG ARG A 42 -0.076 8.278 2.010 1.00 0.00 C ATOM 311 CD ARG A 42 -0.137 9.775 1.743 1.00 0.00 C ATOM 312 NE ARG A 42 -0.227 10.070 0.315 1.00 0.00 N ATOM 313 CZ ARG A 42 0.108 11.241 -0.225 1.00 0.00 C ATOM 314 NH1 ARG A 42 0.552 12.231 0.540 1.00 0.00 N ATOM 315 NH2 ARG A 42 -0.001 11.422 -1.534 1.00 0.00 N ATOM 0 H ARG A 42 0.020 5.976 1.641 1.00 0.00 H new ATOM 0 HA ARG A 42 2.621 7.073 1.365 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.960 7.651 3.773 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.877 8.740 2.750 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.139 7.738 1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.939 7.980 2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.999 10.201 2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.750 10.254 2.158 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.567 9.335 -0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.638 12.098 1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.807 13.125 0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.341 10.665 -2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.255 12.318 -1.948 1.00 0.00 H new ATOM 329 N VAL A 43 2.024 4.960 3.797 1.00 0.00 N ATOM 330 CA VAL A 43 2.629 4.141 4.831 1.00 0.00 C ATOM 331 C VAL A 43 3.785 3.340 4.249 1.00 0.00 C ATOM 332 O VAL A 43 4.902 3.387 4.758 1.00 0.00 O ATOM 333 CB VAL A 43 1.592 3.191 5.466 1.00 0.00 C ATOM 334 CG1 VAL A 43 2.242 1.914 5.977 1.00 0.00 C ATOM 335 CG2 VAL A 43 0.856 3.897 6.588 1.00 0.00 C ATOM 0 H VAL A 43 1.056 4.721 3.583 1.00 0.00 H new ATOM 0 HA VAL A 43 3.006 4.801 5.612 1.00 0.00 H new ATOM 0 HB VAL A 43 0.877 2.909 4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.481 1.270 6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.723 1.394 5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.988 2.162 6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.127 3.217 7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.569 4.209 7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.342 4.773 6.192 1.00 0.00 H new ATOM 345 N LEU A 44 3.522 2.616 3.166 1.00 0.00 N ATOM 346 CA LEU A 44 4.567 1.833 2.525 1.00 0.00 C ATOM 347 C LEU A 44 5.771 2.728 2.270 1.00 0.00 C ATOM 348 O LEU A 44 6.892 2.388 2.624 1.00 0.00 O ATOM 349 CB LEU A 44 4.059 1.216 1.211 1.00 0.00 C ATOM 350 CG LEU A 44 4.309 -0.294 1.018 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.597 -0.537 0.246 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.345 -1.034 2.349 1.00 0.00 C ATOM 0 H LEU A 44 2.607 2.556 2.720 1.00 0.00 H new ATOM 0 HA LEU A 44 4.858 1.013 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.986 1.396 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.525 1.748 0.382 1.00 0.00 H new ATOM 0 HG LEU A 44 3.474 -0.687 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.751 -1.609 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.528 -0.066 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.436 -0.111 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.523 -2.095 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.146 -0.630 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.391 -0.907 2.862 1.00 0.00 H new ATOM 364 N GLU A 45 5.522 3.896 1.687 1.00 0.00 N ATOM 365 CA GLU A 45 6.592 4.845 1.420 1.00 0.00 C ATOM 366 C GLU A 45 7.207 5.328 2.733 1.00 0.00 C ATOM 367 O GLU A 45 8.391 5.659 2.791 1.00 0.00 O ATOM 368 CB GLU A 45 6.069 6.022 0.578 1.00 0.00 C ATOM 369 CG GLU A 45 5.698 7.266 1.374 1.00 0.00 C ATOM 370 CD GLU A 45 6.790 8.318 1.354 1.00 0.00 C ATOM 371 OE1 GLU A 45 7.944 7.981 1.693 1.00 0.00 O ATOM 372 OE2 GLU A 45 6.492 9.477 0.998 1.00 0.00 O ATOM 0 H GLU A 45 4.595 4.205 1.393 1.00 0.00 H new ATOM 0 HA GLU A 45 7.373 4.347 0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.829 6.291 -0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.193 5.690 0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.780 7.692 0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.489 6.984 2.406 1.00 0.00 H new ATOM 379 N LYS A 46 6.394 5.354 3.789 1.00 0.00 N ATOM 380 CA LYS A 46 6.862 5.782 5.103 1.00 0.00 C ATOM 381 C LYS A 46 7.776 4.719 5.704 1.00 0.00 C ATOM 382 O LYS A 46 8.900 5.008 6.112 1.00 0.00 O ATOM 383 CB LYS A 46 5.672 6.085 6.032 1.00 0.00 C ATOM 384 CG LYS A 46 5.381 5.018 7.086 1.00 0.00 C ATOM 385 CD LYS A 46 4.222 5.415 7.983 1.00 0.00 C ATOM 386 CE LYS A 46 3.858 4.293 8.944 1.00 0.00 C ATOM 387 NZ LYS A 46 2.577 4.562 9.656 1.00 0.00 N ATOM 0 H LYS A 46 5.411 5.084 3.758 1.00 0.00 H new ATOM 0 HA LYS A 46 7.435 6.702 4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.859 7.032 6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.780 6.222 5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.153 4.073 6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.271 4.854 7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.486 6.309 8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.356 5.668 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.777 3.356 8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.658 4.166 9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.749 4.592 10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.191 5.476 9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.895 3.807 9.441 1.00 0.00 H new ATOM 401 N GLU A 47 7.296 3.483 5.734 1.00 0.00 N ATOM 402 CA GLU A 47 8.086 2.386 6.261 1.00 0.00 C ATOM 403 C GLU A 47 9.256 2.109 5.331 1.00 0.00 C ATOM 404 O GLU A 47 10.360 1.802 5.776 1.00 0.00 O ATOM 405 CB GLU A 47 7.229 1.128 6.413 1.00 0.00 C ATOM 406 CG GLU A 47 6.284 1.162 7.604 1.00 0.00 C ATOM 407 CD GLU A 47 6.940 1.690 8.867 1.00 0.00 C ATOM 408 OE1 GLU A 47 7.788 0.974 9.440 1.00 0.00 O ATOM 409 OE2 GLU A 47 6.604 2.819 9.283 1.00 0.00 O ATOM 0 H GLU A 47 6.369 3.219 5.401 1.00 0.00 H new ATOM 0 HA GLU A 47 8.462 2.665 7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.645 0.987 5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.886 0.263 6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.424 1.785 7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.907 0.156 7.790 1.00 0.00 H new ATOM 416 N CYS A 48 8.998 2.232 4.033 1.00 0.00 N ATOM 417 CA CYS A 48 10.017 2.006 3.021 1.00 0.00 C ATOM 418 C CYS A 48 11.121 3.051 3.119 1.00 0.00 C ATOM 419 O CYS A 48 12.295 2.741 2.915 1.00 0.00 O ATOM 420 CB CYS A 48 9.394 2.031 1.624 1.00 0.00 C ATOM 421 SG CYS A 48 8.345 0.605 1.262 1.00 0.00 S ATOM 0 H CYS A 48 8.085 2.489 3.658 1.00 0.00 H new ATOM 0 HA CYS A 48 10.456 1.024 3.196 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.803 2.941 1.517 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.191 2.080 0.882 1.00 0.00 H new ATOM 0 HG CYS A 48 9.012 -0.490 1.477 1.00 0.00 H new ATOM 427 N THR A 49 10.750 4.290 3.440 1.00 0.00 N ATOM 428 CA THR A 49 11.740 5.351 3.565 1.00 0.00 C ATOM 429 C THR A 49 12.667 5.065 4.742 1.00 0.00 C ATOM 430 O THR A 49 13.833 5.459 4.737 1.00 0.00 O ATOM 431 CB THR A 49 11.068 6.723 3.714 1.00 0.00 C ATOM 432 OG1 THR A 49 12.002 7.762 3.486 1.00 0.00 O ATOM 433 CG2 THR A 49 10.446 6.963 5.073 1.00 0.00 C ATOM 0 H THR A 49 9.787 4.578 3.615 1.00 0.00 H new ATOM 0 HA THR A 49 12.335 5.377 2.652 1.00 0.00 H new ATOM 0 HB THR A 49 10.270 6.725 2.971 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.557 8.629 3.583 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.993 7.954 5.096 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.681 6.210 5.261 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.216 6.898 5.842 1.00 0.00 H new ATOM 441 N LYS A 50 12.143 4.362 5.746 1.00 0.00 N ATOM 442 CA LYS A 50 12.929 4.009 6.920 1.00 0.00 C ATOM 443 C LYS A 50 13.765 2.756 6.659 1.00 0.00 C ATOM 444 O LYS A 50 14.760 2.512 7.342 1.00 0.00 O ATOM 445 CB LYS A 50 12.016 3.788 8.126 1.00 0.00 C ATOM 446 CG LYS A 50 11.098 4.963 8.413 1.00 0.00 C ATOM 447 CD LYS A 50 9.775 4.504 8.997 1.00 0.00 C ATOM 448 CE LYS A 50 8.871 5.681 9.325 1.00 0.00 C ATOM 449 NZ LYS A 50 9.586 6.731 10.103 1.00 0.00 N ATOM 0 H LYS A 50 11.179 4.028 5.767 1.00 0.00 H new ATOM 0 HA LYS A 50 13.605 4.836 7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.411 2.897 7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.630 3.593 9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.586 5.647 9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.918 5.519 7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.273 3.845 8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.958 3.922 9.900 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.487 6.112 8.401 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.010 5.330 9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.895 7.394 10.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.129 6.285 10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.234 7.248 9.475 1.00 0.00 H new ATOM 463 N ILE A 51 13.360 1.964 5.665 1.00 0.00 N ATOM 464 CA ILE A 51 14.083 0.743 5.320 1.00 0.00 C ATOM 465 C ILE A 51 15.544 1.050 5.025 1.00 0.00 C ATOM 466 O ILE A 51 15.858 1.937 4.231 1.00 0.00 O ATOM 467 CB ILE A 51 13.444 0.031 4.100 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.059 -0.511 4.474 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.345 -1.091 3.575 1.00 0.00 C ATOM 470 CD1 ILE A 51 12.098 -1.755 5.334 1.00 0.00 C ATOM 0 H ILE A 51 12.539 2.146 5.088 1.00 0.00 H new ATOM 0 HA ILE A 51 14.022 0.075 6.179 1.00 0.00 H new ATOM 0 HB ILE A 51 13.331 0.761 3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.506 0.266 5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.507 -0.730 3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 51 13.868 -1.570 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.305 -0.674 3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.504 -1.828 4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.080 -2.076 5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.621 -2.549 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.621 -1.537 6.265 1.00 0.00 H new ATOM 606 N LEU A 60 10.341 -4.295 11.155 1.00 0.00 N ATOM 607 CA LEU A 60 9.827 -3.379 10.148 1.00 0.00 C ATOM 608 C LEU A 60 9.522 -4.138 8.861 1.00 0.00 C ATOM 609 O LEU A 60 8.380 -4.164 8.403 1.00 0.00 O ATOM 610 CB LEU A 60 10.831 -2.241 9.897 1.00 0.00 C ATOM 611 CG LEU A 60 10.927 -1.733 8.453 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.545 -1.413 7.902 1.00 0.00 C ATOM 613 CD2 LEU A 60 11.828 -0.509 8.380 1.00 0.00 C ATOM 0 HA LEU A 60 8.900 -2.934 10.510 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.566 -1.401 10.539 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.819 -2.580 10.208 1.00 0.00 H new ATOM 0 HG LEU A 60 11.364 -2.521 7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.636 -1.054 6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.930 -2.312 7.918 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.078 -0.643 8.516 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.886 -0.161 7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.418 0.282 9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.826 -0.771 8.731 1.00 0.00 H new ATOM 625 N ARG A 61 10.544 -4.763 8.279 1.00 0.00 N ATOM 626 CA ARG A 61 10.355 -5.523 7.048 1.00 0.00 C ATOM 627 C ARG A 61 9.298 -6.601 7.253 1.00 0.00 C ATOM 628 O ARG A 61 8.577 -6.957 6.321 1.00 0.00 O ATOM 629 CB ARG A 61 11.669 -6.146 6.561 1.00 0.00 C ATOM 630 CG ARG A 61 12.589 -6.605 7.677 1.00 0.00 C ATOM 631 CD ARG A 61 13.743 -5.636 7.885 1.00 0.00 C ATOM 632 NE ARG A 61 14.432 -5.310 6.639 1.00 0.00 N ATOM 633 CZ ARG A 61 15.166 -6.176 5.941 1.00 0.00 C ATOM 634 NH1 ARG A 61 15.278 -7.438 6.334 1.00 0.00 N ATOM 635 NH2 ARG A 61 15.795 -5.774 4.846 1.00 0.00 N ATOM 0 H ARG A 61 11.500 -4.758 8.636 1.00 0.00 H new ATOM 0 HA ARG A 61 10.014 -4.832 6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.439 -6.998 5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.197 -5.418 5.945 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.021 -6.699 8.602 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.982 -7.594 7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.366 -4.719 8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.455 -6.070 8.587 1.00 0.00 H new ATOM 0 HE ARG A 61 14.346 -4.359 6.280 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.800 -7.754 7.178 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.842 -8.093 5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.717 -4.804 4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.358 -6.434 4.310 1.00 0.00 H new ATOM 649 N TYR A 62 9.185 -7.099 8.485 1.00 0.00 N ATOM 650 CA TYR A 62 8.183 -8.107 8.795 1.00 0.00 C ATOM 651 C TYR A 62 6.814 -7.449 8.818 1.00 0.00 C ATOM 652 O TYR A 62 5.905 -7.856 8.104 1.00 0.00 O ATOM 653 CB TYR A 62 8.473 -8.774 10.142 1.00 0.00 C ATOM 654 CG TYR A 62 9.055 -10.164 10.015 1.00 0.00 C ATOM 655 CD1 TYR A 62 8.230 -11.273 9.879 1.00 0.00 C ATOM 656 CD2 TYR A 62 10.429 -10.367 10.031 1.00 0.00 C ATOM 657 CE1 TYR A 62 8.757 -12.545 9.762 1.00 0.00 C ATOM 658 CE2 TYR A 62 10.964 -11.636 9.915 1.00 0.00 C ATOM 659 CZ TYR A 62 10.124 -12.721 9.781 1.00 0.00 C ATOM 660 OH TYR A 62 10.653 -13.986 9.666 1.00 0.00 O ATOM 0 H TYR A 62 9.770 -6.822 9.273 1.00 0.00 H new ATOM 0 HA TYR A 62 8.209 -8.882 8.029 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.165 -8.149 10.706 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.549 -8.827 10.718 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.158 -11.139 9.864 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.090 -9.519 10.136 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.101 -13.397 9.656 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.035 -11.777 9.929 1.00 0.00 H new ATOM 0 HH TYR A 62 11.631 -13.936 9.697 1.00 0.00 H new ATOM 670 N LYS A 63 6.689 -6.401 9.623 1.00 0.00 N ATOM 671 CA LYS A 63 5.443 -5.655 9.719 1.00 0.00 C ATOM 672 C LYS A 63 5.036 -5.152 8.335 1.00 0.00 C ATOM 673 O LYS A 63 3.852 -5.024 8.027 1.00 0.00 O ATOM 674 CB LYS A 63 5.620 -4.482 10.694 1.00 0.00 C ATOM 675 CG LYS A 63 4.541 -3.412 10.599 1.00 0.00 C ATOM 676 CD LYS A 63 5.087 -2.039 10.959 1.00 0.00 C ATOM 677 CE LYS A 63 5.234 -1.158 9.728 1.00 0.00 C ATOM 678 NZ LYS A 63 4.032 -0.305 9.510 1.00 0.00 N ATOM 0 H LYS A 63 7.438 -6.049 10.219 1.00 0.00 H new ATOM 0 HA LYS A 63 4.654 -6.305 10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.638 -4.872 11.712 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.590 -4.019 10.513 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.136 -3.390 9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.717 -3.664 11.267 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.421 -1.558 11.675 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.055 -2.148 11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.114 -0.524 9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.399 -1.784 8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.290 0.516 8.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.298 -0.858 9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.668 0.023 10.427 1.00 0.00 H new ATOM 692 N ILE A 64 6.035 -4.865 7.511 1.00 0.00 N ATOM 693 CA ILE A 64 5.807 -4.373 6.166 1.00 0.00 C ATOM 694 C ILE A 64 5.209 -5.456 5.261 1.00 0.00 C ATOM 695 O ILE A 64 4.164 -5.253 4.643 1.00 0.00 O ATOM 696 CB ILE A 64 7.132 -3.842 5.565 1.00 0.00 C ATOM 697 CG1 ILE A 64 7.125 -2.314 5.549 1.00 0.00 C ATOM 698 CG2 ILE A 64 7.384 -4.395 4.169 1.00 0.00 C ATOM 699 CD1 ILE A 64 8.272 -1.701 4.771 1.00 0.00 C ATOM 0 H ILE A 64 7.019 -4.967 7.758 1.00 0.00 H new ATOM 0 HA ILE A 64 5.085 -3.558 6.225 1.00 0.00 H new ATOM 0 HB ILE A 64 7.949 -4.187 6.199 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.184 -1.970 5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.160 -1.950 6.576 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.323 -3.998 3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.441 -5.483 4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.568 -4.101 3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.196 -0.614 4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.219 -2.014 5.212 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.227 -2.034 3.734 1.00 0.00 H new ATOM 711 N GLU A 65 5.893 -6.592 5.167 1.00 0.00 N ATOM 712 CA GLU A 65 5.446 -7.688 4.311 1.00 0.00 C ATOM 713 C GLU A 65 4.380 -8.551 4.981 1.00 0.00 C ATOM 714 O GLU A 65 3.610 -9.228 4.303 1.00 0.00 O ATOM 715 CB GLU A 65 6.639 -8.557 3.915 1.00 0.00 C ATOM 716 CG GLU A 65 7.584 -7.882 2.932 1.00 0.00 C ATOM 717 CD GLU A 65 7.532 -8.506 1.551 1.00 0.00 C ATOM 718 OE1 GLU A 65 6.565 -8.229 0.810 1.00 0.00 O ATOM 719 OE2 GLU A 65 8.458 -9.271 1.209 1.00 0.00 O ATOM 0 H GLU A 65 6.759 -6.779 5.673 1.00 0.00 H new ATOM 0 HA GLU A 65 4.996 -7.243 3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.195 -8.828 4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.272 -9.484 3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.331 -6.824 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.603 -7.940 3.315 1.00 0.00 H new ATOM 726 N THR A 66 4.352 -8.548 6.308 1.00 0.00 N ATOM 727 CA THR A 66 3.396 -9.350 7.048 1.00 0.00 C ATOM 728 C THR A 66 2.192 -8.530 7.519 1.00 0.00 C ATOM 729 O THR A 66 1.210 -9.095 8.002 1.00 0.00 O ATOM 730 CB THR A 66 4.083 -9.991 8.250 1.00 0.00 C ATOM 731 OG1 THR A 66 4.206 -9.066 9.316 1.00 0.00 O ATOM 732 CG2 THR A 66 5.464 -10.531 7.942 1.00 0.00 C ATOM 0 H THR A 66 4.982 -7.997 6.891 1.00 0.00 H new ATOM 0 HA THR A 66 3.024 -10.121 6.373 1.00 0.00 H new ATOM 0 HB THR A 66 3.443 -10.828 8.529 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.457 -8.188 8.960 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.892 -10.972 8.843 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.392 -11.292 7.165 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.104 -9.719 7.597 1.00 0.00 H new ATOM 740 N GLU A 67 2.260 -7.204 7.393 1.00 0.00 N ATOM 741 CA GLU A 67 1.153 -6.356 7.831 1.00 0.00 C ATOM 742 C GLU A 67 0.827 -5.255 6.815 1.00 0.00 C ATOM 743 O GLU A 67 -0.338 -5.057 6.469 1.00 0.00 O ATOM 744 CB GLU A 67 1.462 -5.759 9.215 1.00 0.00 C ATOM 745 CG GLU A 67 1.139 -4.276 9.356 1.00 0.00 C ATOM 746 CD GLU A 67 1.091 -3.826 10.803 1.00 0.00 C ATOM 747 OE1 GLU A 67 1.673 -4.523 11.661 1.00 0.00 O ATOM 748 OE2 GLU A 67 0.473 -2.776 11.078 1.00 0.00 O ATOM 0 H GLU A 67 3.055 -6.702 6.998 1.00 0.00 H new ATOM 0 HA GLU A 67 0.264 -6.983 7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.900 -6.312 9.968 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.520 -5.909 9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.889 -3.692 8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.179 -4.070 8.883 1.00 0.00 H new ATOM 755 N LEU A 68 1.842 -4.530 6.348 1.00 0.00 N ATOM 756 CA LEU A 68 1.612 -3.450 5.388 1.00 0.00 C ATOM 757 C LEU A 68 1.200 -3.995 4.020 1.00 0.00 C ATOM 758 O LEU A 68 0.010 -4.153 3.749 1.00 0.00 O ATOM 759 CB LEU A 68 2.851 -2.557 5.256 1.00 0.00 C ATOM 760 CG LEU A 68 3.153 -1.666 6.466 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.225 -0.644 6.119 1.00 0.00 C ATOM 762 CD2 LEU A 68 1.889 -0.967 6.948 1.00 0.00 C ATOM 0 H LEU A 68 2.817 -4.667 6.613 1.00 0.00 H new ATOM 0 HA LEU A 68 0.790 -2.845 5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.717 -3.192 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.727 -1.921 4.380 1.00 0.00 H new ATOM 0 HG LEU A 68 3.524 -2.298 7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.428 -0.019 6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.138 -1.161 5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.879 -0.019 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.125 -0.340 7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.487 -0.348 6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.148 -1.713 7.236 1.00 0.00 H new ATOM 774 N ILE A 69 2.184 -4.271 3.157 1.00 0.00 N ATOM 775 CA ILE A 69 1.921 -4.789 1.811 1.00 0.00 C ATOM 776 C ILE A 69 0.721 -5.743 1.787 1.00 0.00 C ATOM 777 O ILE A 69 -0.223 -5.535 1.024 1.00 0.00 O ATOM 778 CB ILE A 69 3.173 -5.493 1.229 1.00 0.00 C ATOM 779 CG1 ILE A 69 4.111 -4.460 0.601 1.00 0.00 C ATOM 780 CG2 ILE A 69 2.792 -6.550 0.196 1.00 0.00 C ATOM 781 CD1 ILE A 69 5.565 -4.660 0.964 1.00 0.00 C ATOM 0 H ILE A 69 3.174 -4.143 3.369 1.00 0.00 H new ATOM 0 HA ILE A 69 1.678 -3.930 1.185 1.00 0.00 H new ATOM 0 HB ILE A 69 3.685 -5.996 2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.007 -4.500 -0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.801 -3.463 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.695 -7.023 -0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.159 -7.304 0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.250 -6.079 -0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.169 -3.891 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.683 -4.590 2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.892 -5.643 0.626 1.00 0.00 H new ATOM 793 N PRO A 70 0.732 -6.800 2.618 1.00 0.00 N ATOM 794 CA PRO A 70 -0.366 -7.767 2.671 1.00 0.00 C ATOM 795 C PRO A 70 -1.719 -7.086 2.832 1.00 0.00 C ATOM 796 O PRO A 70 -2.713 -7.515 2.250 1.00 0.00 O ATOM 797 CB PRO A 70 -0.049 -8.625 3.905 1.00 0.00 C ATOM 798 CG PRO A 70 1.052 -7.913 4.618 1.00 0.00 C ATOM 799 CD PRO A 70 1.797 -7.143 3.568 1.00 0.00 C ATOM 0 HA PRO A 70 -0.438 -8.346 1.750 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.926 -8.731 4.544 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.258 -9.630 3.615 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.654 -7.245 5.382 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.710 -8.620 5.124 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.277 -6.255 3.979 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.580 -7.742 3.103 1.00 0.00 H new ATOM 807 N ASN A 71 -1.746 -6.019 3.623 1.00 0.00 N ATOM 808 CA ASN A 71 -2.976 -5.275 3.859 1.00 0.00 C ATOM 809 C ASN A 71 -3.230 -4.276 2.736 1.00 0.00 C ATOM 810 O ASN A 71 -4.372 -4.065 2.329 1.00 0.00 O ATOM 811 CB ASN A 71 -2.910 -4.548 5.203 1.00 0.00 C ATOM 812 CG ASN A 71 -3.057 -5.493 6.380 1.00 0.00 C ATOM 813 OD1 ASN A 71 -3.283 -6.690 6.205 1.00 0.00 O ATOM 814 ND2 ASN A 71 -2.930 -4.957 7.588 1.00 0.00 N ATOM 0 H ASN A 71 -0.930 -5.651 4.111 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.802 -5.986 3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.960 -4.020 5.281 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.697 -3.795 5.245 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.020 -5.543 8.418 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.743 -3.959 7.686 1.00 0.00 H new ATOM 821 N CYS A 72 -2.160 -3.668 2.231 1.00 0.00 N ATOM 822 CA CYS A 72 -2.283 -2.700 1.149 1.00 0.00 C ATOM 823 C CYS A 72 -2.820 -3.379 -0.102 1.00 0.00 C ATOM 824 O CYS A 72 -3.820 -2.947 -0.674 1.00 0.00 O ATOM 825 CB CYS A 72 -0.936 -2.032 0.846 1.00 0.00 C ATOM 826 SG CYS A 72 0.059 -1.644 2.304 1.00 0.00 S ATOM 0 H CYS A 72 -1.205 -3.828 2.552 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.982 -1.926 1.467 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.359 -2.687 0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.119 -1.111 0.292 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.264 -2.445 3.276 1.00 0.00 H new ATOM 832 N THR A 73 -2.159 -4.456 -0.513 1.00 0.00 N ATOM 833 CA THR A 73 -2.589 -5.200 -1.687 1.00 0.00 C ATOM 834 C THR A 73 -3.951 -5.831 -1.425 1.00 0.00 C ATOM 835 O THR A 73 -4.844 -5.773 -2.268 1.00 0.00 O ATOM 836 CB THR A 73 -1.560 -6.272 -2.054 1.00 0.00 C ATOM 837 OG1 THR A 73 -1.730 -6.690 -3.397 1.00 0.00 O ATOM 838 CG2 THR A 73 -1.635 -7.503 -1.179 1.00 0.00 C ATOM 0 H THR A 73 -1.329 -4.830 -0.053 1.00 0.00 H new ATOM 0 HA THR A 73 -2.673 -4.513 -2.529 1.00 0.00 H new ATOM 0 HB THR A 73 -0.589 -5.800 -1.905 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.062 -7.374 -3.614 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.878 -8.221 -1.495 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.458 -7.223 -0.141 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.623 -7.954 -1.270 1.00 0.00 H new ATOM 846 N SER A 74 -4.121 -6.409 -0.235 1.00 0.00 N ATOM 847 CA SER A 74 -5.397 -7.011 0.131 1.00 0.00 C ATOM 848 C SER A 74 -6.496 -5.968 -0.009 1.00 0.00 C ATOM 849 O SER A 74 -7.641 -6.284 -0.331 1.00 0.00 O ATOM 850 CB SER A 74 -5.356 -7.544 1.564 1.00 0.00 C ATOM 851 OG SER A 74 -4.720 -8.809 1.621 1.00 0.00 O ATOM 0 H SER A 74 -3.398 -6.471 0.482 1.00 0.00 H new ATOM 0 HA SER A 74 -5.599 -7.851 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.825 -6.838 2.203 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.371 -7.626 1.954 1.00 0.00 H new ATOM 0 HG SER A 74 -3.748 -8.686 1.633 1.00 0.00 H new ATOM 857 N VAL A 75 -6.116 -4.712 0.212 1.00 0.00 N ATOM 858 CA VAL A 75 -7.033 -3.595 0.091 1.00 0.00 C ATOM 859 C VAL A 75 -7.385 -3.380 -1.383 1.00 0.00 C ATOM 860 O VAL A 75 -8.480 -2.923 -1.711 1.00 0.00 O ATOM 861 CB VAL A 75 -6.409 -2.320 0.723 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.422 -1.133 -0.226 1.00 0.00 C ATOM 863 CG2 VAL A 75 -7.111 -1.967 2.026 1.00 0.00 C ATOM 0 H VAL A 75 -5.168 -4.447 0.478 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.953 -3.813 0.632 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.364 -2.551 0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.975 -0.269 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.851 -1.377 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.450 -0.900 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.659 -1.071 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.168 -1.783 1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.010 -2.794 2.729 1.00 0.00 H new ATOM 873 N ARG A 76 -6.456 -3.750 -2.266 1.00 0.00 N ATOM 874 CA ARG A 76 -6.673 -3.638 -3.704 1.00 0.00 C ATOM 875 C ARG A 76 -7.733 -4.638 -4.135 1.00 0.00 C ATOM 876 O ARG A 76 -8.760 -4.268 -4.699 1.00 0.00 O ATOM 877 CB ARG A 76 -5.378 -3.926 -4.469 1.00 0.00 C ATOM 878 CG ARG A 76 -4.262 -2.930 -4.206 1.00 0.00 C ATOM 879 CD ARG A 76 -2.968 -3.368 -4.876 1.00 0.00 C ATOM 880 NE ARG A 76 -3.152 -3.632 -6.300 1.00 0.00 N ATOM 881 CZ ARG A 76 -2.174 -4.021 -7.115 1.00 0.00 C ATOM 882 NH1 ARG A 76 -0.942 -4.191 -6.651 1.00 0.00 N ATOM 883 NH2 ARG A 76 -2.429 -4.242 -8.398 1.00 0.00 N ATOM 0 H ARG A 76 -5.546 -4.130 -2.007 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.000 -2.622 -3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.028 -4.924 -4.205 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.595 -3.937 -5.537 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.553 -1.947 -4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.104 -2.831 -3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.212 -2.594 -4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.592 -4.266 -4.386 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.085 -3.511 -6.694 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.741 -4.023 -5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.197 -4.489 -7.280 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.374 -4.114 -8.760 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.680 -4.540 -9.023 1.00 0.00 H new ATOM 897 N ASP A 77 -7.474 -5.916 -3.853 1.00 0.00 N ATOM 898 CA ASP A 77 -8.407 -6.982 -4.199 1.00 0.00 C ATOM 899 C ASP A 77 -9.817 -6.613 -3.757 1.00 0.00 C ATOM 900 O ASP A 77 -10.798 -6.961 -4.413 1.00 0.00 O ATOM 901 CB ASP A 77 -7.977 -8.299 -3.546 1.00 0.00 C ATOM 902 CG ASP A 77 -7.757 -9.403 -4.562 1.00 0.00 C ATOM 903 OD1 ASP A 77 -8.384 -9.351 -5.641 1.00 0.00 O ATOM 904 OD2 ASP A 77 -6.956 -10.319 -4.279 1.00 0.00 O ATOM 0 H ASP A 77 -6.625 -6.235 -3.386 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.401 -7.111 -5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.058 -8.139 -2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.738 -8.613 -2.832 1.00 0.00 H new ATOM 909 N LYS A 78 -9.904 -5.887 -2.647 1.00 0.00 N ATOM 910 CA LYS A 78 -11.187 -5.449 -2.125 1.00 0.00 C ATOM 911 C LYS A 78 -11.761 -4.359 -3.019 1.00 0.00 C ATOM 912 O LYS A 78 -12.960 -4.333 -3.301 1.00 0.00 O ATOM 913 CB LYS A 78 -11.031 -4.937 -0.690 1.00 0.00 C ATOM 914 CG LYS A 78 -11.033 -6.043 0.353 1.00 0.00 C ATOM 915 CD LYS A 78 -11.863 -5.663 1.569 1.00 0.00 C ATOM 916 CE LYS A 78 -11.196 -4.561 2.376 1.00 0.00 C ATOM 917 NZ LYS A 78 -9.850 -4.969 2.865 1.00 0.00 N ATOM 0 H LYS A 78 -9.100 -5.591 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 78 -11.874 -6.295 -2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.099 -4.377 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.841 -4.241 -0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.429 -6.958 -0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.009 -6.255 0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.851 -5.333 1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.009 -6.540 2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.103 -3.666 1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.827 -4.300 3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.566 -4.354 3.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.883 -5.956 3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.159 -4.882 2.093 1.00 0.00 H new ATOM 931 N ILE A 79 -10.887 -3.471 -3.480 1.00 0.00 N ATOM 932 CA ILE A 79 -11.290 -2.390 -4.362 1.00 0.00 C ATOM 933 C ILE A 79 -11.606 -2.935 -5.750 1.00 0.00 C ATOM 934 O ILE A 79 -12.622 -2.586 -6.351 1.00 0.00 O ATOM 935 CB ILE A 79 -10.181 -1.321 -4.463 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.076 -0.545 -3.150 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.440 -0.376 -5.627 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.735 0.125 -2.948 1.00 0.00 C ATOM 0 H ILE A 79 -9.892 -3.482 -3.255 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.184 -1.926 -3.944 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.233 -1.826 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.859 0.213 -3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.261 -1.226 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.644 0.367 -5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.465 -0.943 -6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.397 0.126 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.733 0.656 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.948 -0.629 -2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.556 0.832 -3.758 1.00 0.00 H new ATOM 950 N GLU A 80 -10.731 -3.801 -6.247 1.00 0.00 N ATOM 951 CA GLU A 80 -10.915 -4.406 -7.556 1.00 0.00 C ATOM 952 C GLU A 80 -12.137 -5.314 -7.551 1.00 0.00 C ATOM 953 O GLU A 80 -12.835 -5.437 -8.557 1.00 0.00 O ATOM 954 CB GLU A 80 -9.671 -5.201 -7.957 1.00 0.00 C ATOM 955 CG GLU A 80 -8.395 -4.375 -7.955 1.00 0.00 C ATOM 956 CD GLU A 80 -7.176 -5.186 -8.349 1.00 0.00 C ATOM 957 OE1 GLU A 80 -6.906 -6.211 -7.688 1.00 0.00 O ATOM 958 OE2 GLU A 80 -6.492 -4.797 -9.318 1.00 0.00 O ATOM 0 H GLU A 80 -9.886 -4.099 -5.760 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.071 -3.611 -8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.551 -6.041 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.822 -5.619 -8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.508 -3.537 -8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.241 -3.953 -6.962 1.00 0.00 H new ATOM 965 N SER A 81 -12.399 -5.941 -6.406 1.00 0.00 N ATOM 966 CA SER A 81 -13.549 -6.825 -6.272 1.00 0.00 C ATOM 967 C SER A 81 -14.834 -6.036 -6.472 1.00 0.00 C ATOM 968 O SER A 81 -15.810 -6.538 -7.029 1.00 0.00 O ATOM 969 CB SER A 81 -13.551 -7.496 -4.897 1.00 0.00 C ATOM 970 OG SER A 81 -14.708 -8.295 -4.720 1.00 0.00 O ATOM 0 H SER A 81 -11.832 -5.852 -5.563 1.00 0.00 H new ATOM 0 HA SER A 81 -13.485 -7.601 -7.035 1.00 0.00 H new ATOM 0 HB2 SER A 81 -12.659 -8.113 -4.789 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.508 -6.735 -4.118 1.00 0.00 H new ATOM 0 HG SER A 81 -14.684 -8.714 -3.834 1.00 0.00 H new ATOM 976 N ASN A 82 -14.816 -4.788 -6.018 1.00 0.00 N ATOM 977 CA ASN A 82 -15.965 -3.903 -6.148 1.00 0.00 C ATOM 978 C ASN A 82 -16.092 -3.404 -7.585 1.00 0.00 C ATOM 979 O ASN A 82 -15.363 -2.507 -8.006 1.00 0.00 O ATOM 980 CB ASN A 82 -15.812 -2.723 -5.190 1.00 0.00 C ATOM 981 CG ASN A 82 -17.128 -2.047 -4.879 1.00 0.00 C ATOM 982 OD1 ASN A 82 -18.132 -2.704 -4.603 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.127 -0.723 -4.924 1.00 0.00 N ATOM 0 H ASN A 82 -14.012 -4.365 -5.554 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.870 -4.455 -5.895 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.359 -3.071 -4.262 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.128 -1.994 -5.625 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.983 -0.205 -4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.270 -0.221 -5.158 1.00 0.00 H new ATOM 990 N ILE A 83 -17.013 -4.002 -8.338 1.00 0.00 N ATOM 991 CA ILE A 83 -17.226 -3.631 -9.736 1.00 0.00 C ATOM 992 C ILE A 83 -17.327 -2.119 -9.920 1.00 0.00 C ATOM 993 O ILE A 83 -16.981 -1.592 -10.978 1.00 0.00 O ATOM 994 CB ILE A 83 -18.495 -4.295 -10.309 1.00 0.00 C ATOM 995 CG1 ILE A 83 -18.562 -4.090 -11.823 1.00 0.00 C ATOM 996 CG2 ILE A 83 -19.741 -3.737 -9.637 1.00 0.00 C ATOM 997 CD1 ILE A 83 -17.354 -4.625 -12.560 1.00 0.00 C ATOM 0 H ILE A 83 -17.625 -4.747 -8.003 1.00 0.00 H new ATOM 0 HA ILE A 83 -16.353 -3.991 -10.281 1.00 0.00 H new ATOM 0 HB ILE A 83 -18.449 -5.365 -10.106 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -19.458 -4.578 -12.208 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -18.663 -3.025 -12.033 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -20.626 -4.218 -10.055 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -19.694 -3.931 -8.565 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -19.797 -2.662 -9.809 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -17.471 -4.445 -13.629 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -16.457 -4.120 -12.203 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -17.263 -5.696 -12.380 1.00 0.00 H new ATOM 1009 N LEU A 84 -17.800 -1.424 -8.892 1.00 0.00 N ATOM 1010 CA LEU A 84 -17.939 0.027 -8.956 1.00 0.00 C ATOM 1011 C LEU A 84 -16.629 0.688 -9.385 1.00 0.00 C ATOM 1012 O LEU A 84 -16.626 1.809 -9.892 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.382 0.581 -7.603 1.00 0.00 C ATOM 1014 CG LEU A 84 -19.894 0.612 -7.381 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.216 0.576 -5.896 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.500 1.847 -8.031 1.00 0.00 C ATOM 0 H LEU A 84 -18.093 -1.839 -8.007 1.00 0.00 H new ATOM 0 HA LEU A 84 -18.700 0.256 -9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.927 -0.019 -6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -17.994 1.594 -7.497 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.330 -0.272 -7.847 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.297 0.599 -5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -19.813 -0.337 -5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.769 1.441 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.577 1.855 -7.864 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.059 2.742 -7.593 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.299 1.830 -9.102 1.00 0.00 H new ATOM 1028 N ILE A 85 -15.519 -0.015 -9.180 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.208 0.504 -9.549 1.00 0.00 C ATOM 1030 C ILE A 85 -14.026 0.510 -11.066 1.00 0.00 C ATOM 1031 O ILE A 85 -13.206 1.256 -11.600 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.078 -0.325 -8.897 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -11.710 0.294 -9.191 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -13.124 -1.766 -9.380 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.230 1.236 -8.111 1.00 0.00 C ATOM 0 H ILE A 85 -15.502 -0.945 -8.761 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.151 1.529 -9.182 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.232 -0.317 -7.818 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.978 -0.504 -9.317 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -11.760 0.833 -10.137 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -12.321 -2.333 -8.910 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.084 -2.208 -9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -13.000 -1.791 -10.463 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.255 1.638 -8.386 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.941 2.055 -8.000 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.148 0.696 -7.168 1.00 0.00 H new ATOM 1047 N HIS A 86 -14.797 -0.325 -11.757 1.00 0.00 N ATOM 1048 CA HIS A 86 -14.713 -0.412 -13.211 1.00 0.00 C ATOM 1049 C HIS A 86 -15.714 0.524 -13.885 1.00 0.00 C ATOM 1050 O HIS A 86 -15.508 0.949 -15.022 1.00 0.00 O ATOM 1051 CB HIS A 86 -14.957 -1.851 -13.668 1.00 0.00 C ATOM 1052 CG HIS A 86 -13.817 -2.775 -13.367 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -12.865 -3.126 -14.300 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -13.479 -3.421 -12.226 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -11.991 -3.948 -13.747 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -12.341 -4.143 -12.489 1.00 0.00 N ATOM 0 H HIS A 86 -15.485 -0.949 -11.335 1.00 0.00 H new ATOM 0 HA HIS A 86 -13.710 -0.104 -13.506 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -15.858 -2.229 -13.185 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -15.145 -1.856 -14.742 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -14.006 -3.377 -11.284 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -11.136 -4.386 -14.240 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -11.846 -4.734 -11.821 1.00 0.00 H new ATOM 1065 N GLN A 87 -16.800 0.838 -13.185 1.00 0.00 N ATOM 1066 CA GLN A 87 -17.830 1.718 -13.729 1.00 0.00 C ATOM 1067 C GLN A 87 -17.474 3.184 -13.514 1.00 0.00 C ATOM 1068 O GLN A 87 -17.516 3.991 -14.443 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.183 1.407 -13.086 1.00 0.00 C ATOM 1070 CG GLN A 87 -19.322 1.883 -11.649 1.00 0.00 C ATOM 1071 CD GLN A 87 -20.603 1.397 -10.999 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.470 2.193 -10.638 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -20.728 0.084 -10.846 1.00 0.00 N ATOM 0 H GLN A 87 -16.990 0.497 -12.242 1.00 0.00 H new ATOM 0 HA GLN A 87 -17.893 1.539 -14.802 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -19.970 1.866 -13.685 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.346 0.330 -13.116 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.468 1.533 -11.069 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.297 2.972 -11.626 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -19.984 -0.539 -11.160 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -21.568 -0.301 -10.414 1.00 0.00 H new ATOM 1082 N ASN A 88 -17.132 3.517 -12.280 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.775 4.886 -11.924 1.00 0.00 C ATOM 1084 C ASN A 88 -15.341 5.200 -12.336 1.00 0.00 C ATOM 1085 O ASN A 88 -14.399 4.951 -11.584 1.00 0.00 O ATOM 1086 CB ASN A 88 -16.942 5.104 -10.418 1.00 0.00 C ATOM 1087 CG ASN A 88 -18.344 5.548 -10.051 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -19.271 5.446 -10.854 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -18.506 6.046 -8.830 1.00 0.00 N ATOM 0 H ASN A 88 -17.093 2.857 -11.503 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.444 5.559 -12.460 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.707 4.179 -9.891 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -16.226 5.854 -10.080 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -19.427 6.362 -8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -17.709 6.112 -8.196 1.00 0.00 H new ATOM 1096 N GLY A 89 -15.185 5.749 -13.539 1.00 0.00 N ATOM 1097 CA GLY A 89 -13.865 6.091 -14.043 1.00 0.00 C ATOM 1098 C GLY A 89 -13.021 6.835 -13.024 1.00 0.00 C ATOM 1099 O GLY A 89 -11.821 6.590 -12.907 1.00 0.00 O ATOM 0 H GLY A 89 -15.953 5.964 -14.176 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.347 5.179 -14.341 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.970 6.704 -14.938 1.00 0.00 H new ATOM 1103 N LYS A 90 -13.651 7.741 -12.283 1.00 0.00 N ATOM 1104 CA LYS A 90 -12.949 8.517 -11.267 1.00 0.00 C ATOM 1105 C LYS A 90 -12.256 7.593 -10.271 1.00 0.00 C ATOM 1106 O LYS A 90 -11.035 7.627 -10.122 1.00 0.00 O ATOM 1107 CB LYS A 90 -13.925 9.441 -10.535 1.00 0.00 C ATOM 1108 CG LYS A 90 -13.377 10.840 -10.297 1.00 0.00 C ATOM 1109 CD LYS A 90 -13.279 11.161 -8.813 1.00 0.00 C ATOM 1110 CE LYS A 90 -11.842 11.090 -8.321 1.00 0.00 C ATOM 1111 NZ LYS A 90 -11.741 11.362 -6.860 1.00 0.00 N ATOM 0 H LYS A 90 -14.645 7.956 -12.367 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.192 9.125 -11.762 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -14.846 9.514 -11.113 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.186 8.994 -9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.391 10.927 -10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.021 11.571 -10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.679 12.158 -8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.893 10.461 -8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.433 10.103 -8.536 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.235 11.812 -8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.746 11.304 -6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.107 12.314 -6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.299 10.658 -6.336 1.00 0.00 H new ATOM 1125 N LEU A 91 -13.045 6.764 -9.595 1.00 0.00 N ATOM 1126 CA LEU A 91 -12.507 5.826 -8.620 1.00 0.00 C ATOM 1127 C LEU A 91 -11.541 4.855 -9.282 1.00 0.00 C ATOM 1128 O LEU A 91 -10.502 4.514 -8.719 1.00 0.00 O ATOM 1129 CB LEU A 91 -13.637 5.057 -7.947 1.00 0.00 C ATOM 1130 CG LEU A 91 -14.230 5.742 -6.720 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -15.441 4.973 -6.218 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -13.175 5.876 -5.628 1.00 0.00 C ATOM 0 H LEU A 91 -14.058 6.724 -9.705 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.964 6.394 -7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -14.432 4.894 -8.675 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.266 4.075 -7.654 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.558 6.743 -7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -15.853 5.474 -5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -16.197 4.933 -7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -15.143 3.960 -5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -13.612 6.367 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -12.817 4.886 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -12.341 6.471 -5.999 1.00 0.00 H new ATOM 1144 N SER A 92 -11.883 4.418 -10.488 1.00 0.00 N ATOM 1145 CA SER A 92 -11.030 3.494 -11.228 1.00 0.00 C ATOM 1146 C SER A 92 -9.586 3.976 -11.184 1.00 0.00 C ATOM 1147 O SER A 92 -8.658 3.191 -10.996 1.00 0.00 O ATOM 1148 CB SER A 92 -11.497 3.374 -12.681 1.00 0.00 C ATOM 1149 OG SER A 92 -12.910 3.413 -12.770 1.00 0.00 O ATOM 0 H SER A 92 -12.740 4.686 -10.973 1.00 0.00 H new ATOM 0 HA SER A 92 -11.096 2.511 -10.762 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.070 4.185 -13.271 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.129 2.441 -13.108 1.00 0.00 H new ATOM 0 HG SER A 92 -13.276 2.529 -12.558 1.00 0.00 H new ATOM 1155 N ALA A 93 -9.417 5.285 -11.336 1.00 0.00 N ATOM 1156 CA ALA A 93 -8.098 5.897 -11.298 1.00 0.00 C ATOM 1157 C ALA A 93 -7.613 6.045 -9.860 1.00 0.00 C ATOM 1158 O ALA A 93 -6.416 5.962 -9.587 1.00 0.00 O ATOM 1159 CB ALA A 93 -8.128 7.252 -11.989 1.00 0.00 C ATOM 0 H ALA A 93 -10.182 5.943 -11.487 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.401 5.248 -11.828 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.135 7.700 -11.954 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.432 7.124 -13.028 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.838 7.904 -11.481 1.00 0.00 H new ATOM 1165 N ASP A 94 -8.554 6.259 -8.941 1.00 0.00 N ATOM 1166 CA ASP A 94 -8.222 6.413 -7.526 1.00 0.00 C ATOM 1167 C ASP A 94 -7.278 5.308 -7.069 1.00 0.00 C ATOM 1168 O ASP A 94 -6.101 5.550 -6.807 1.00 0.00 O ATOM 1169 CB ASP A 94 -9.490 6.395 -6.666 1.00 0.00 C ATOM 1170 CG ASP A 94 -10.085 7.777 -6.483 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -10.717 8.282 -7.435 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -9.921 8.353 -5.388 1.00 0.00 O ATOM 0 H ASP A 94 -9.550 6.329 -9.151 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.725 7.375 -7.404 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.230 5.742 -7.129 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.257 5.971 -5.689 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.807 4.094 -6.983 1.00 0.00 N ATOM 1178 CA PHE A 95 -7.027 2.938 -6.562 1.00 0.00 C ATOM 1179 C PHE A 95 -5.856 2.683 -7.513 1.00 0.00 C ATOM 1180 O PHE A 95 -4.753 2.354 -7.076 1.00 0.00 O ATOM 1181 CB PHE A 95 -7.940 1.710 -6.484 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.362 0.462 -7.096 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -7.531 0.204 -8.447 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -6.653 -0.448 -6.326 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -7.003 -0.936 -9.020 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -6.124 -1.588 -6.895 1.00 0.00 C ATOM 1187 CZ PHE A 95 -6.299 -1.834 -8.243 1.00 0.00 C ATOM 0 H PHE A 95 -8.781 3.884 -7.201 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.607 3.138 -5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.173 1.512 -5.438 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.882 1.941 -6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.082 0.903 -9.059 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.514 -0.262 -5.271 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.141 -1.125 -10.074 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.572 -2.289 -6.286 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.886 -2.727 -8.688 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.103 2.829 -8.814 1.00 0.00 N ATOM 1198 CA LYS A 96 -5.066 2.605 -9.819 1.00 0.00 C ATOM 1199 C LYS A 96 -3.793 3.369 -9.477 1.00 0.00 C ATOM 1200 O LYS A 96 -2.687 2.847 -9.613 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.566 3.027 -11.200 1.00 0.00 C ATOM 1202 CG LYS A 96 -6.383 1.959 -11.904 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.134 2.531 -13.092 1.00 0.00 C ATOM 1204 CE LYS A 96 -6.269 2.555 -14.342 1.00 0.00 C ATOM 1205 NZ LYS A 96 -5.896 1.183 -14.786 1.00 0.00 N ATOM 0 H LYS A 96 -7.009 3.101 -9.196 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.836 1.540 -9.829 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.172 3.927 -11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.710 3.287 -11.823 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.725 1.157 -12.239 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.091 1.518 -11.202 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.028 1.936 -13.279 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.467 3.543 -12.860 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.804 3.063 -15.144 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.365 3.132 -14.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.678 1.195 -15.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.061 0.862 -14.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.689 0.533 -14.610 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.961 4.606 -9.029 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.825 5.447 -8.662 1.00 0.00 C ATOM 1221 C ASN A 97 -2.166 4.932 -7.390 1.00 0.00 C ATOM 1222 O ASN A 97 -0.947 4.998 -7.236 1.00 0.00 O ATOM 1223 CB ASN A 97 -3.277 6.895 -8.460 1.00 0.00 C ATOM 1224 CG ASN A 97 -3.670 7.566 -9.761 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -4.392 6.991 -10.576 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -3.195 8.789 -9.963 1.00 0.00 N ATOM 0 H ASN A 97 -4.871 5.051 -8.910 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.099 5.411 -9.474 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.124 6.916 -7.774 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.473 7.462 -7.991 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.425 9.290 -10.821 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.600 9.227 -9.260 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.985 4.419 -6.480 1.00 0.00 N ATOM 1234 CA LEU A 98 -2.490 3.890 -5.218 1.00 0.00 C ATOM 1235 C LEU A 98 -1.737 2.586 -5.440 1.00 0.00 C ATOM 1236 O LEU A 98 -0.569 2.464 -5.074 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.651 3.672 -4.251 1.00 0.00 C ATOM 1238 CG LEU A 98 -4.637 4.836 -4.168 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.949 4.387 -3.548 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -4.038 5.987 -3.380 1.00 0.00 C ATOM 0 H LEU A 98 -3.997 4.359 -6.594 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.800 4.614 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.193 2.775 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.247 3.483 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.841 5.183 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.636 5.232 -3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.388 3.597 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.766 4.009 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.755 6.807 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.801 5.652 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.128 6.330 -3.872 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.403 1.615 -6.055 1.00 0.00 N ATOM 1253 CA LYS A 99 -1.773 0.331 -6.334 1.00 0.00 C ATOM 1254 C LYS A 99 -0.543 0.536 -7.205 1.00 0.00 C ATOM 1255 O LYS A 99 0.441 -0.194 -7.093 1.00 0.00 O ATOM 1256 CB LYS A 99 -2.754 -0.621 -7.026 1.00 0.00 C ATOM 1257 CG LYS A 99 -3.381 -0.043 -8.285 1.00 0.00 C ATOM 1258 CD LYS A 99 -3.275 -1.007 -9.457 1.00 0.00 C ATOM 1259 CE LYS A 99 -2.963 -0.279 -10.755 1.00 0.00 C ATOM 1260 NZ LYS A 99 -3.746 -0.822 -11.899 1.00 0.00 N ATOM 0 H LYS A 99 -3.371 1.691 -6.367 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.473 -0.118 -5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.233 -1.544 -7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.546 -0.886 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.430 0.188 -8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.889 0.896 -8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.496 -1.742 -9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.211 -1.556 -9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.181 0.782 -10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.898 -0.363 -10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.504 -0.299 -12.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.519 -1.829 -12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.762 -0.718 -11.704 1.00 0.00 H new ATOM 1274 N THR A 100 -0.607 1.548 -8.061 1.00 0.00 N ATOM 1275 CA THR A 100 0.500 1.873 -8.945 1.00 0.00 C ATOM 1276 C THR A 100 1.647 2.478 -8.144 1.00 0.00 C ATOM 1277 O THR A 100 2.774 1.985 -8.185 1.00 0.00 O ATOM 1278 CB THR A 100 0.032 2.848 -10.031 1.00 0.00 C ATOM 1279 OG1 THR A 100 -0.725 2.170 -11.018 1.00 0.00 O ATOM 1280 CG2 THR A 100 1.162 3.565 -10.737 1.00 0.00 C ATOM 0 H THR A 100 -1.418 2.159 -8.160 1.00 0.00 H new ATOM 0 HA THR A 100 0.855 0.960 -9.424 1.00 0.00 H new ATOM 0 HB THR A 100 -0.568 3.590 -9.504 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.677 2.364 -10.890 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.752 4.237 -11.491 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.737 4.141 -10.012 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.813 2.834 -11.218 1.00 0.00 H new ATOM 1288 N LYS A 101 1.348 3.543 -7.407 1.00 0.00 N ATOM 1289 CA LYS A 101 2.355 4.202 -6.591 1.00 0.00 C ATOM 1290 C LYS A 101 2.877 3.243 -5.527 1.00 0.00 C ATOM 1291 O LYS A 101 4.047 3.292 -5.154 1.00 0.00 O ATOM 1292 CB LYS A 101 1.779 5.473 -5.947 1.00 0.00 C ATOM 1293 CG LYS A 101 1.029 5.231 -4.645 1.00 0.00 C ATOM 1294 CD LYS A 101 1.933 5.429 -3.439 1.00 0.00 C ATOM 1295 CE LYS A 101 2.011 6.893 -3.035 1.00 0.00 C ATOM 1296 NZ LYS A 101 0.662 7.511 -2.918 1.00 0.00 N ATOM 0 H LYS A 101 0.420 3.965 -7.360 1.00 0.00 H new ATOM 0 HA LYS A 101 3.188 4.495 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.594 6.172 -5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.105 5.953 -6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.180 5.911 -4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 101 0.627 4.218 -4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.559 4.839 -2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.933 5.060 -3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.533 6.979 -2.082 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.599 7.442 -3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.640 8.143 -2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.455 8.058 -3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.053 6.765 -2.802 1.00 0.00 H new ATOM 1310 N TYR A 102 1.997 2.363 -5.053 1.00 0.00 N ATOM 1311 CA TYR A 102 2.365 1.382 -4.040 1.00 0.00 C ATOM 1312 C TYR A 102 3.420 0.423 -4.586 1.00 0.00 C ATOM 1313 O TYR A 102 4.329 0.010 -3.866 1.00 0.00 O ATOM 1314 CB TYR A 102 1.115 0.620 -3.574 1.00 0.00 C ATOM 1315 CG TYR A 102 1.381 -0.773 -3.041 1.00 0.00 C ATOM 1316 CD1 TYR A 102 2.149 -0.973 -1.899 1.00 0.00 C ATOM 1317 CD2 TYR A 102 0.856 -1.888 -3.682 1.00 0.00 C ATOM 1318 CE1 TYR A 102 2.386 -2.247 -1.413 1.00 0.00 C ATOM 1319 CE2 TYR A 102 1.087 -3.162 -3.201 1.00 0.00 C ATOM 1320 CZ TYR A 102 1.852 -3.335 -2.068 1.00 0.00 C ATOM 1321 OH TYR A 102 2.086 -4.603 -1.590 1.00 0.00 O ATOM 0 H TYR A 102 1.024 2.311 -5.356 1.00 0.00 H new ATOM 0 HA TYR A 102 2.795 1.899 -3.182 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.620 1.203 -2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.419 0.547 -4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.567 -0.121 -1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.257 -1.757 -4.571 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.986 -2.387 -0.526 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.670 -4.018 -3.710 1.00 0.00 H new ATOM 0 HH TYR A 102 2.040 -5.245 -2.329 1.00 0.00 H new ATOM 1331 N GLN A 103 3.296 0.079 -5.864 1.00 0.00 N ATOM 1332 CA GLN A 103 4.246 -0.823 -6.505 1.00 0.00 C ATOM 1333 C GLN A 103 5.645 -0.220 -6.495 1.00 0.00 C ATOM 1334 O GLN A 103 6.632 -0.916 -6.261 1.00 0.00 O ATOM 1335 CB GLN A 103 3.819 -1.117 -7.944 1.00 0.00 C ATOM 1336 CG GLN A 103 2.554 -1.953 -8.051 1.00 0.00 C ATOM 1337 CD GLN A 103 2.711 -3.129 -8.994 1.00 0.00 C ATOM 1338 OE1 GLN A 103 2.890 -4.268 -8.562 1.00 0.00 O ATOM 1339 NE2 GLN A 103 2.643 -2.858 -10.292 1.00 0.00 N ATOM 0 H GLN A 103 2.549 0.410 -6.475 1.00 0.00 H new ATOM 0 HA GLN A 103 4.260 -1.757 -5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.665 -0.173 -8.467 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.630 -1.636 -8.455 1.00 0.00 H new ATOM 0 HG2 GLN A 103 2.280 -2.319 -7.062 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.734 -1.323 -8.396 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.493 -1.899 -10.606 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.740 -3.609 -10.976 1.00 0.00 H new ATOM 1348 N SER A 104 5.723 1.081 -6.747 1.00 0.00 N ATOM 1349 CA SER A 104 7.003 1.777 -6.760 1.00 0.00 C ATOM 1350 C SER A 104 7.653 1.724 -5.385 1.00 0.00 C ATOM 1351 O SER A 104 8.874 1.619 -5.264 1.00 0.00 O ATOM 1352 CB SER A 104 6.807 3.233 -7.179 1.00 0.00 C ATOM 1353 OG SER A 104 7.864 3.673 -8.013 1.00 0.00 O ATOM 0 H SER A 104 4.917 1.674 -6.945 1.00 0.00 H new ATOM 0 HA SER A 104 7.656 1.281 -7.478 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.858 3.338 -7.704 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.752 3.865 -6.293 1.00 0.00 H new ATOM 0 HG SER A 104 7.713 4.607 -8.268 1.00 0.00 H new ATOM 1359 N LEU A 105 6.824 1.802 -4.351 1.00 0.00 N ATOM 1360 CA LEU A 105 7.304 1.768 -2.979 1.00 0.00 C ATOM 1361 C LEU A 105 7.955 0.433 -2.662 1.00 0.00 C ATOM 1362 O LEU A 105 9.080 0.383 -2.165 1.00 0.00 O ATOM 1363 CB LEU A 105 6.145 2.019 -2.015 1.00 0.00 C ATOM 1364 CG LEU A 105 5.351 3.295 -2.280 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.086 3.323 -1.437 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.211 4.517 -2.006 1.00 0.00 C ATOM 0 H LEU A 105 5.812 1.890 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 105 8.052 2.552 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.464 1.169 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.539 2.058 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 105 5.057 3.310 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.534 4.240 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.464 2.463 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.352 3.286 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.632 5.420 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.534 4.509 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.085 4.500 -2.657 1.00 0.00 H new ATOM 1378 N GLN A 106 7.244 -0.648 -2.950 1.00 0.00 N ATOM 1379 CA GLN A 106 7.768 -1.986 -2.687 1.00 0.00 C ATOM 1380 C GLN A 106 9.097 -2.186 -3.411 1.00 0.00 C ATOM 1381 O GLN A 106 10.027 -2.784 -2.871 1.00 0.00 O ATOM 1382 CB GLN A 106 6.779 -3.087 -3.112 1.00 0.00 C ATOM 1383 CG GLN A 106 5.524 -2.593 -3.816 1.00 0.00 C ATOM 1384 CD GLN A 106 4.777 -3.710 -4.519 1.00 0.00 C ATOM 1385 OE1 GLN A 106 4.876 -3.869 -5.736 1.00 0.00 O ATOM 1386 NE2 GLN A 106 4.027 -4.492 -3.754 1.00 0.00 N ATOM 0 H GLN A 106 6.311 -0.629 -3.362 1.00 0.00 H new ATOM 0 HA GLN A 106 7.919 -2.067 -1.611 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.297 -3.783 -3.772 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.482 -3.648 -2.226 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.864 -2.121 -3.088 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.796 -1.828 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.974 -4.324 -2.749 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.503 -5.262 -4.170 1.00 0.00 H new ATOM 1395 N GLN A 107 9.170 -1.684 -4.639 1.00 0.00 N ATOM 1396 CA GLN A 107 10.377 -1.806 -5.452 1.00 0.00 C ATOM 1397 C GLN A 107 11.524 -0.972 -4.887 1.00 0.00 C ATOM 1398 O GLN A 107 12.636 -1.471 -4.715 1.00 0.00 O ATOM 1399 CB GLN A 107 10.093 -1.374 -6.892 1.00 0.00 C ATOM 1400 CG GLN A 107 8.820 -1.970 -7.470 1.00 0.00 C ATOM 1401 CD GLN A 107 9.088 -2.918 -8.623 1.00 0.00 C ATOM 1402 OE1 GLN A 107 8.370 -2.917 -9.623 1.00 0.00 O ATOM 1403 NE2 GLN A 107 10.128 -3.733 -8.489 1.00 0.00 N ATOM 0 H GLN A 107 8.405 -1.187 -5.095 1.00 0.00 H new ATOM 0 HA GLN A 107 10.677 -2.854 -5.436 1.00 0.00 H new ATOM 0 HB2 GLN A 107 10.024 -0.287 -6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 107 10.936 -1.661 -7.521 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.284 -2.502 -6.684 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.169 -1.165 -7.811 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.696 -3.700 -7.643 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.359 -4.392 -9.232 1.00 0.00 H new ATOM 1412 N SER A 108 11.254 0.301 -4.608 1.00 0.00 N ATOM 1413 CA SER A 108 12.276 1.196 -4.074 1.00 0.00 C ATOM 1414 C SER A 108 12.813 0.682 -2.743 1.00 0.00 C ATOM 1415 O SER A 108 13.997 0.828 -2.436 1.00 0.00 O ATOM 1416 CB SER A 108 11.707 2.605 -3.895 1.00 0.00 C ATOM 1417 OG SER A 108 11.444 3.211 -5.149 1.00 0.00 O ATOM 0 H SER A 108 10.340 0.734 -4.742 1.00 0.00 H new ATOM 0 HA SER A 108 13.099 1.230 -4.788 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.788 2.558 -3.310 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.412 3.217 -3.332 1.00 0.00 H new ATOM 0 HG SER A 108 10.593 2.877 -5.502 1.00 0.00 H new ATOM 1423 N TYR A 109 11.929 0.087 -1.955 1.00 0.00 N ATOM 1424 CA TYR A 109 12.295 -0.443 -0.649 1.00 0.00 C ATOM 1425 C TYR A 109 12.886 -1.842 -0.770 1.00 0.00 C ATOM 1426 O TYR A 109 13.889 -2.158 -0.129 1.00 0.00 O ATOM 1427 CB TYR A 109 11.060 -0.434 0.260 1.00 0.00 C ATOM 1428 CG TYR A 109 10.785 -1.717 1.022 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.758 -2.318 1.812 1.00 0.00 C ATOM 1430 CD2 TYR A 109 9.535 -2.316 0.956 1.00 0.00 C ATOM 1431 CE1 TYR A 109 11.493 -3.479 2.510 1.00 0.00 C ATOM 1432 CE2 TYR A 109 9.261 -3.475 1.652 1.00 0.00 C ATOM 1433 CZ TYR A 109 10.244 -4.053 2.428 1.00 0.00 C ATOM 1434 OH TYR A 109 9.975 -5.210 3.124 1.00 0.00 O ATOM 0 H TYR A 109 10.947 -0.041 -2.199 1.00 0.00 H new ATOM 0 HA TYR A 109 13.065 0.189 -0.207 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.170 0.377 0.980 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.187 -0.203 -0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.738 -1.869 1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.763 -1.867 0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.261 -3.935 3.117 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.282 -3.927 1.590 1.00 0.00 H new ATOM 0 HH TYR A 109 10.520 -5.236 3.938 1.00 0.00 H new ATOM 1444 N ASN A 110 12.263 -2.681 -1.588 1.00 0.00 N ATOM 1445 CA ASN A 110 12.740 -4.044 -1.775 1.00 0.00 C ATOM 1446 C ASN A 110 14.226 -4.044 -2.112 1.00 0.00 C ATOM 1447 O ASN A 110 14.999 -4.839 -1.576 1.00 0.00 O ATOM 1448 CB ASN A 110 11.949 -4.751 -2.877 1.00 0.00 C ATOM 1449 CG ASN A 110 10.677 -5.389 -2.357 1.00 0.00 C ATOM 1450 OD1 ASN A 110 10.624 -5.859 -1.221 1.00 0.00 O ATOM 1451 ND2 ASN A 110 9.642 -5.409 -3.189 1.00 0.00 N ATOM 0 H ASN A 110 11.432 -2.443 -2.129 1.00 0.00 H new ATOM 0 HA ASN A 110 12.590 -4.588 -0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.699 -4.033 -3.658 1.00 0.00 H new ATOM 0 HB3 ASN A 110 12.575 -5.517 -3.336 1.00 0.00 H new ATOM 0 HD21 ASN A 110 8.759 -5.826 -2.894 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.730 -5.008 -4.123 1.00 0.00 H new ATOM 1458 N GLN A 111 14.626 -3.133 -2.987 1.00 0.00 N ATOM 1459 CA GLN A 111 16.027 -3.027 -3.363 1.00 0.00 C ATOM 1460 C GLN A 111 16.845 -2.586 -2.161 1.00 0.00 C ATOM 1461 O GLN A 111 17.775 -3.272 -1.740 1.00 0.00 O ATOM 1462 CB GLN A 111 16.223 -2.037 -4.515 1.00 0.00 C ATOM 1463 CG GLN A 111 15.554 -0.688 -4.313 1.00 0.00 C ATOM 1464 CD GLN A 111 15.370 0.065 -5.615 1.00 0.00 C ATOM 1465 OE1 GLN A 111 14.290 0.053 -6.207 1.00 0.00 O ATOM 1466 NE2 GLN A 111 16.429 0.723 -6.071 1.00 0.00 N ATOM 0 H GLN A 111 14.008 -2.464 -3.445 1.00 0.00 H new ATOM 0 HA GLN A 111 16.364 -4.007 -3.701 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.291 -1.879 -4.663 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.837 -2.485 -5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 111 14.583 -0.834 -3.840 1.00 0.00 H new ATOM 0 HG3 GLN A 111 16.154 -0.086 -3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.304 0.706 -5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 111 16.367 1.246 -6.945 1.00 0.00 H new ATOM 1475 N ARG A 112 16.471 -1.438 -1.608 1.00 0.00 N ATOM 1476 CA ARG A 112 17.143 -0.879 -0.441 1.00 0.00 C ATOM 1477 C ARG A 112 17.288 -1.925 0.658 1.00 0.00 C ATOM 1478 O ARG A 112 18.328 -2.015 1.311 1.00 0.00 O ATOM 1479 CB ARG A 112 16.357 0.321 0.091 1.00 0.00 C ATOM 1480 CG ARG A 112 16.931 1.662 -0.333 1.00 0.00 C ATOM 1481 CD ARG A 112 16.624 2.746 0.689 1.00 0.00 C ATOM 1482 NE ARG A 112 16.047 3.936 0.068 1.00 0.00 N ATOM 1483 CZ ARG A 112 14.775 4.031 -0.312 1.00 0.00 C ATOM 1484 NH1 ARG A 112 13.944 3.011 -0.137 1.00 0.00 N ATOM 1485 NH2 ARG A 112 14.332 5.151 -0.869 1.00 0.00 N ATOM 0 H ARG A 112 15.697 -0.871 -1.954 1.00 0.00 H new ATOM 0 HA ARG A 112 18.139 -0.556 -0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 112 15.326 0.251 -0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.332 0.274 1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 112 18.010 1.574 -0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.519 1.946 -1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 112 15.933 2.355 1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 112 17.539 3.019 1.214 1.00 0.00 H new ATOM 0 HE ARG A 112 16.655 4.741 -0.083 1.00 0.00 H new ATOM 0 HH11 ARG A 112 14.279 2.148 0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 112 12.970 3.090 -0.430 1.00 0.00 H new ATOM 0 HH21 ARG A 112 14.966 5.938 -1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 112 13.357 5.225 -1.161 1.00 0.00 H new ATOM 1499 N LYS A 113 16.237 -2.713 0.857 1.00 0.00 N ATOM 1500 CA LYS A 113 16.251 -3.752 1.880 1.00 0.00 C ATOM 1501 C LYS A 113 17.344 -4.777 1.586 1.00 0.00 C ATOM 1502 O LYS A 113 17.901 -5.387 2.499 1.00 0.00 O ATOM 1503 CB LYS A 113 14.869 -4.419 1.991 1.00 0.00 C ATOM 1504 CG LYS A 113 14.624 -5.567 1.019 1.00 0.00 C ATOM 1505 CD LYS A 113 13.975 -6.754 1.714 1.00 0.00 C ATOM 1506 CE LYS A 113 12.500 -6.502 1.981 1.00 0.00 C ATOM 1507 NZ LYS A 113 11.664 -7.685 1.638 1.00 0.00 N ATOM 0 H LYS A 113 15.368 -2.653 0.326 1.00 0.00 H new ATOM 0 HA LYS A 113 16.476 -3.293 2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 113 14.743 -4.791 3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.103 -3.660 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.985 -5.226 0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 113 15.569 -5.877 0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 113 14.087 -7.645 1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 113 14.488 -6.952 2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.359 -6.250 3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.168 -5.642 1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.665 -7.473 1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.778 -7.910 0.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.964 -8.500 2.211 1.00 0.00 H new ATOM 1521 N SER A 114 17.652 -4.951 0.304 1.00 0.00 N ATOM 1522 CA SER A 114 18.687 -5.890 -0.115 1.00 0.00 C ATOM 1523 C SER A 114 20.072 -5.257 0.008 1.00 0.00 C ATOM 1524 O SER A 114 21.076 -5.956 0.140 1.00 0.00 O ATOM 1525 CB SER A 114 18.444 -6.337 -1.558 1.00 0.00 C ATOM 1526 OG SER A 114 17.238 -7.071 -1.669 1.00 0.00 O ATOM 0 H SER A 114 17.199 -4.454 -0.463 1.00 0.00 H new ATOM 0 HA SER A 114 18.643 -6.761 0.539 1.00 0.00 H new ATOM 0 HB2 SER A 114 18.403 -5.465 -2.210 1.00 0.00 H new ATOM 0 HB3 SER A 114 19.279 -6.950 -1.897 1.00 0.00 H new ATOM 0 HG SER A 114 16.477 -6.454 -1.647 1.00 0.00 H new