USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 374 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.91 K(o=-1.9,f=-6.8!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0508 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.667 K(o=-0.67,f=-5.3!) USER MOD Single : A 18 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.2) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ -153:sc= 1.34 (180deg=0.468) USER MOD Single : B 3 ASN : amide:sc= 0.269 K(o=0.27,f=-1.7!) USER MOD Single : B 4 GLN : amide:sc= -1.08 K(o=-1.1,f=-4.4!) USER MOD Single : B 5 HIS : no HE2:sc= -2.41! X(o=-2.4!,f=-2.3) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0809! USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.722 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0156 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.386 6.030 0.710 1.00 0.00 N ATOM 2 CA GLY A 1 -5.475 7.133 0.170 1.00 0.00 C ATOM 3 C GLY A 1 -3.994 6.931 0.180 1.00 0.00 C ATOM 4 O GLY A 1 -3.274 7.611 0.885 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.379 6.330 0.630 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.242 5.160 0.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.158 5.849 1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.772 7.327 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.686 8.039 0.738 1.00 0.00 H new ATOM 10 N ILE A 2 -3.499 6.004 -0.597 1.00 0.00 N ATOM 11 CA ILE A 2 -2.029 5.763 -0.629 1.00 0.00 C ATOM 12 C ILE A 2 -1.464 6.308 -1.938 1.00 0.00 C ATOM 13 O ILE A 2 -0.322 6.709 -2.017 1.00 0.00 O ATOM 14 CB ILE A 2 -1.758 4.262 -0.534 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.262 4.020 -0.310 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.195 3.585 -1.832 1.00 0.00 C ATOM 17 CD1 ILE A 2 0.058 2.539 -0.528 1.00 0.00 C ATOM 0 H ILE A 2 -4.050 5.404 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.552 6.266 0.212 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.319 3.845 0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.322 4.633 -0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.017 4.318 0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.003 2.514 -1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.260 3.753 -1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.634 4.004 -2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.123 2.369 -0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.515 1.935 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.205 2.256 -1.547 1.00 0.00 H new ATOM 29 N VAL A 3 -2.264 6.324 -2.965 1.00 0.00 N ATOM 30 CA VAL A 3 -1.789 6.838 -4.277 1.00 0.00 C ATOM 31 C VAL A 3 -1.271 8.266 -4.111 1.00 0.00 C ATOM 32 O VAL A 3 -0.191 8.599 -4.550 1.00 0.00 O ATOM 33 CB VAL A 3 -2.953 6.827 -5.265 1.00 0.00 C ATOM 34 CG1 VAL A 3 -2.419 6.982 -6.686 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.705 5.501 -5.149 1.00 0.00 C ATOM 0 H VAL A 3 -3.232 6.001 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.983 6.207 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.628 7.652 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.251 6.974 -7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.880 7.926 -6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.744 6.157 -6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.536 5.491 -5.854 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.028 4.678 -5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.088 5.387 -4.135 1.00 0.00 H new ATOM 45 N GLU A 4 -2.039 9.112 -3.485 1.00 0.00 N ATOM 46 CA GLU A 4 -1.599 10.522 -3.294 1.00 0.00 C ATOM 47 C GLU A 4 -0.453 10.581 -2.279 1.00 0.00 C ATOM 48 O GLU A 4 0.430 11.409 -2.375 1.00 0.00 O ATOM 49 CB GLU A 4 -2.775 11.345 -2.768 1.00 0.00 C ATOM 50 CG GLU A 4 -2.322 12.782 -2.516 1.00 0.00 C ATOM 51 CD GLU A 4 -2.575 13.624 -3.768 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.752 13.040 -4.824 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.590 14.838 -3.648 1.00 0.00 O ATOM 0 H GLU A 4 -2.955 8.888 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.255 10.923 -4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.593 11.332 -3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.156 10.906 -1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.863 13.201 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.263 12.801 -2.260 1.00 0.00 H new ATOM 60 N GLN A 5 -0.472 9.722 -1.298 1.00 0.00 N ATOM 61 CA GLN A 5 0.607 9.743 -0.269 1.00 0.00 C ATOM 62 C GLN A 5 1.853 9.015 -0.783 1.00 0.00 C ATOM 63 O GLN A 5 2.966 9.369 -0.447 1.00 0.00 O ATOM 64 CB GLN A 5 0.109 9.059 1.005 1.00 0.00 C ATOM 65 CG GLN A 5 0.027 10.087 2.136 1.00 0.00 C ATOM 66 CD GLN A 5 1.419 10.304 2.731 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.348 9.590 2.407 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.606 11.266 3.593 1.00 0.00 N ATOM 0 H GLN A 5 -1.187 9.007 -1.164 1.00 0.00 H new ATOM 0 HA GLN A 5 0.868 10.780 -0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.871 8.613 0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.783 8.249 1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.369 11.029 1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.660 9.740 2.908 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.827 11.865 3.865 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.531 11.418 3.994 1.00 0.00 H new ATOM 77 N CYS A 6 1.688 8.001 -1.587 1.00 0.00 N ATOM 78 CA CYS A 6 2.882 7.268 -2.098 1.00 0.00 C ATOM 79 C CYS A 6 3.482 8.022 -3.284 1.00 0.00 C ATOM 80 O CYS A 6 4.675 7.985 -3.513 1.00 0.00 O ATOM 81 CB CYS A 6 2.480 5.862 -2.547 1.00 0.00 C ATOM 82 SG CYS A 6 2.905 4.671 -1.252 1.00 0.00 S ATOM 0 H CYS A 6 0.787 7.650 -1.910 1.00 0.00 H new ATOM 0 HA CYS A 6 3.620 7.196 -1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.410 5.826 -2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.991 5.605 -3.475 1.00 0.00 H new ATOM 87 N CYS A 7 2.669 8.699 -4.045 1.00 0.00 N ATOM 88 CA CYS A 7 3.208 9.445 -5.215 1.00 0.00 C ATOM 89 C CYS A 7 3.859 10.744 -4.733 1.00 0.00 C ATOM 90 O CYS A 7 4.806 11.229 -5.320 1.00 0.00 O ATOM 91 CB CYS A 7 2.069 9.781 -6.182 1.00 0.00 C ATOM 92 SG CYS A 7 2.021 8.582 -7.538 1.00 0.00 S ATOM 0 H CYS A 7 1.660 8.768 -3.909 1.00 0.00 H new ATOM 0 HA CYS A 7 3.948 8.829 -5.725 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.118 9.776 -5.650 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.206 10.786 -6.581 1.00 0.00 H new ATOM 97 N THR A 8 3.355 11.313 -3.671 1.00 0.00 N ATOM 98 CA THR A 8 3.943 12.583 -3.156 1.00 0.00 C ATOM 99 C THR A 8 4.850 12.284 -1.960 1.00 0.00 C ATOM 100 O THR A 8 5.808 12.986 -1.707 1.00 0.00 O ATOM 101 CB THR A 8 2.817 13.526 -2.723 1.00 0.00 C ATOM 102 OG1 THR A 8 3.344 14.831 -2.524 1.00 0.00 O ATOM 103 CG2 THR A 8 2.195 13.021 -1.420 1.00 0.00 C ATOM 0 H THR A 8 2.563 10.954 -3.139 1.00 0.00 H new ATOM 0 HA THR A 8 4.531 13.055 -3.943 1.00 0.00 H new ATOM 0 HB THR A 8 2.052 13.557 -3.499 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.624 15.436 -2.248 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.394 13.694 -1.114 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.790 12.021 -1.574 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.958 12.988 -0.642 1.00 0.00 H new ATOM 111 N SER A 9 4.556 11.251 -1.217 1.00 0.00 N ATOM 112 CA SER A 9 5.404 10.919 -0.039 1.00 0.00 C ATOM 113 C SER A 9 6.115 9.585 -0.276 1.00 0.00 C ATOM 114 O SER A 9 5.777 8.842 -1.175 1.00 0.00 O ATOM 115 CB SER A 9 4.526 10.817 1.208 1.00 0.00 C ATOM 116 OG SER A 9 5.147 11.515 2.279 1.00 0.00 O ATOM 0 H SER A 9 3.767 10.625 -1.375 1.00 0.00 H new ATOM 0 HA SER A 9 6.148 11.703 0.104 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.540 11.237 1.008 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.378 9.771 1.478 1.00 0.00 H new ATOM 0 HG SER A 9 4.585 11.453 3.080 1.00 0.00 H new ATOM 122 N ILE A 10 7.100 9.279 0.523 1.00 0.00 N ATOM 123 CA ILE A 10 7.838 7.997 0.347 1.00 0.00 C ATOM 124 C ILE A 10 7.148 6.891 1.150 1.00 0.00 C ATOM 125 O ILE A 10 6.661 7.118 2.241 1.00 0.00 O ATOM 126 CB ILE A 10 9.271 8.170 0.853 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.961 9.295 0.045 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.017 6.838 0.712 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.135 8.753 -0.784 1.00 0.00 C ATOM 0 H ILE A 10 7.426 9.864 1.292 1.00 0.00 H new ATOM 0 HA ILE A 10 7.848 7.725 -0.708 1.00 0.00 H new ATOM 0 HB ILE A 10 9.276 8.454 1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.235 9.768 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.321 10.066 0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.040 6.954 1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.510 6.073 1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.032 6.539 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.596 9.570 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.873 8.303 -0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.770 8.000 -1.483 1.00 0.00 H new ATOM 141 N CYS A 11 7.108 5.692 0.628 1.00 0.00 N ATOM 142 CA CYS A 11 6.453 4.578 1.378 1.00 0.00 C ATOM 143 C CYS A 11 7.413 3.390 1.460 1.00 0.00 C ATOM 144 O CYS A 11 7.975 2.963 0.471 1.00 0.00 O ATOM 145 CB CYS A 11 5.155 4.119 0.687 1.00 0.00 C ATOM 146 SG CYS A 11 4.842 5.068 -0.825 1.00 0.00 S ATOM 0 H CYS A 11 7.498 5.437 -0.279 1.00 0.00 H new ATOM 0 HA CYS A 11 6.205 4.944 2.374 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.225 3.058 0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.315 4.235 1.372 1.00 0.00 H new ATOM 151 N SER A 12 7.598 2.849 2.632 1.00 0.00 N ATOM 152 CA SER A 12 8.514 1.684 2.779 1.00 0.00 C ATOM 153 C SER A 12 7.682 0.401 2.818 1.00 0.00 C ATOM 154 O SER A 12 6.516 0.425 3.165 1.00 0.00 O ATOM 155 CB SER A 12 9.309 1.820 4.078 1.00 0.00 C ATOM 156 OG SER A 12 8.667 2.763 4.926 1.00 0.00 O ATOM 0 H SER A 12 7.154 3.164 3.495 1.00 0.00 H new ATOM 0 HA SER A 12 9.206 1.649 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.379 0.854 4.577 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.328 2.142 3.862 1.00 0.00 H new ATOM 0 HG SER A 12 9.174 2.851 5.760 1.00 0.00 H new ATOM 162 N LEU A 13 8.267 -0.710 2.449 1.00 0.00 N ATOM 163 CA LEU A 13 7.520 -2.000 2.447 1.00 0.00 C ATOM 164 C LEU A 13 6.514 -2.037 3.596 1.00 0.00 C ATOM 165 O LEU A 13 5.435 -2.581 3.470 1.00 0.00 O ATOM 166 CB LEU A 13 8.493 -3.165 2.584 1.00 0.00 C ATOM 167 CG LEU A 13 7.710 -4.476 2.567 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.932 -5.184 1.228 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.197 -5.370 3.706 1.00 0.00 C ATOM 0 H LEU A 13 9.239 -0.777 2.147 1.00 0.00 H new ATOM 0 HA LEU A 13 6.982 -2.086 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.216 -3.149 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.057 -3.076 3.512 1.00 0.00 H new ATOM 0 HG LEU A 13 6.647 -4.270 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.374 -6.120 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.587 -4.544 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.994 -5.393 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.640 -6.307 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.259 -5.578 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.040 -4.864 4.658 1.00 0.00 H new ATOM 181 N TYR A 14 6.849 -1.455 4.711 1.00 0.00 N ATOM 182 CA TYR A 14 5.895 -1.453 5.850 1.00 0.00 C ATOM 183 C TYR A 14 4.540 -0.947 5.353 1.00 0.00 C ATOM 184 O TYR A 14 3.543 -1.638 5.426 1.00 0.00 O ATOM 185 CB TYR A 14 6.416 -0.528 6.954 1.00 0.00 C ATOM 186 CG TYR A 14 6.347 -1.237 8.286 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.110 -1.653 8.797 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.522 -1.478 9.012 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.047 -2.307 10.034 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.458 -2.133 10.249 1.00 0.00 C ATOM 191 CZ TYR A 14 6.221 -2.547 10.760 1.00 0.00 C ATOM 192 OH TYR A 14 6.159 -3.192 11.980 1.00 0.00 O ATOM 0 H TYR A 14 7.737 -0.983 4.882 1.00 0.00 H new ATOM 0 HA TYR A 14 5.791 -2.461 6.251 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.444 -0.234 6.740 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.823 0.386 6.986 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.205 -1.469 8.237 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.476 -1.159 8.618 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.094 -2.626 10.428 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.363 -2.319 10.809 1.00 0.00 H new ATOM 0 HH TYR A 14 7.062 -3.279 12.350 1.00 0.00 H new ATOM 202 N GLN A 15 4.500 0.251 4.834 1.00 0.00 N ATOM 203 CA GLN A 15 3.214 0.802 4.321 1.00 0.00 C ATOM 204 C GLN A 15 2.634 -0.169 3.296 1.00 0.00 C ATOM 205 O GLN A 15 1.456 -0.462 3.296 1.00 0.00 O ATOM 206 CB GLN A 15 3.466 2.154 3.653 1.00 0.00 C ATOM 207 CG GLN A 15 2.964 3.277 4.561 1.00 0.00 C ATOM 208 CD GLN A 15 4.132 4.198 4.918 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.226 4.032 4.415 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.947 5.166 5.772 1.00 0.00 N ATOM 0 H GLN A 15 5.304 0.872 4.743 1.00 0.00 H new ATOM 0 HA GLN A 15 2.514 0.933 5.146 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.531 2.281 3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.956 2.196 2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.180 3.843 4.059 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.525 2.859 5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.029 5.305 6.194 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.720 5.784 6.018 1.00 0.00 H new ATOM 219 N LEU A 16 3.461 -0.675 2.425 1.00 0.00 N ATOM 220 CA LEU A 16 2.964 -1.634 1.400 1.00 0.00 C ATOM 221 C LEU A 16 2.315 -2.825 2.099 1.00 0.00 C ATOM 222 O LEU A 16 1.196 -3.199 1.811 1.00 0.00 O ATOM 223 CB LEU A 16 4.129 -2.127 0.560 1.00 0.00 C ATOM 224 CG LEU A 16 4.610 -0.989 -0.333 1.00 0.00 C ATOM 225 CD1 LEU A 16 6.027 -0.596 0.056 1.00 0.00 C ATOM 226 CD2 LEU A 16 4.599 -1.451 -1.784 1.00 0.00 C ATOM 0 H LEU A 16 4.458 -0.466 2.378 1.00 0.00 H new ATOM 0 HA LEU A 16 2.235 -1.137 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.939 -2.470 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.822 -2.979 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 16 3.950 -0.130 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.368 0.218 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.042 -0.270 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.689 -1.454 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.942 -0.640 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.261 -2.309 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.586 -1.735 -2.068 1.00 0.00 H new ATOM 238 N GLU A 17 3.020 -3.424 3.020 1.00 0.00 N ATOM 239 CA GLU A 17 2.460 -4.596 3.750 1.00 0.00 C ATOM 240 C GLU A 17 1.116 -4.227 4.384 1.00 0.00 C ATOM 241 O GLU A 17 0.353 -5.084 4.786 1.00 0.00 O ATOM 242 CB GLU A 17 3.442 -5.021 4.844 1.00 0.00 C ATOM 243 CG GLU A 17 3.201 -6.487 5.212 1.00 0.00 C ATOM 244 CD GLU A 17 4.278 -6.947 6.196 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.333 -6.334 6.219 1.00 0.00 O ATOM 246 OE2 GLU A 17 4.030 -7.904 6.911 1.00 0.00 O ATOM 0 H GLU A 17 3.962 -3.151 3.299 1.00 0.00 H new ATOM 0 HA GLU A 17 2.307 -5.417 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.467 -4.887 4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.317 -4.390 5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.213 -6.604 5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.223 -7.107 4.316 1.00 0.00 H new ATOM 253 N ASN A 18 0.818 -2.960 4.487 1.00 0.00 N ATOM 254 CA ASN A 18 -0.475 -2.550 5.103 1.00 0.00 C ATOM 255 C ASN A 18 -1.536 -2.366 4.014 1.00 0.00 C ATOM 256 O ASN A 18 -2.566 -1.761 4.238 1.00 0.00 O ATOM 257 CB ASN A 18 -0.280 -1.231 5.855 1.00 0.00 C ATOM 258 CG ASN A 18 -0.628 -1.427 7.333 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.403 -2.484 7.887 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.170 -0.443 7.999 1.00 0.00 N ATOM 0 H ASN A 18 1.413 -2.193 4.172 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.806 -3.323 5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.751 -0.893 5.755 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.913 -0.456 5.421 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.404 -0.562 8.985 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.359 0.445 7.534 1.00 0.00 H new ATOM 267 N TYR A 19 -1.302 -2.885 2.839 1.00 0.00 N ATOM 268 CA TYR A 19 -2.309 -2.736 1.749 1.00 0.00 C ATOM 269 C TYR A 19 -2.385 -4.032 0.944 1.00 0.00 C ATOM 270 O TYR A 19 -2.424 -4.018 -0.271 1.00 0.00 O ATOM 271 CB TYR A 19 -1.902 -1.588 0.825 1.00 0.00 C ATOM 272 CG TYR A 19 -1.844 -0.303 1.613 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.954 0.113 2.359 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.678 0.472 1.598 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.897 1.308 3.091 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.621 1.666 2.329 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.730 2.084 3.075 1.00 0.00 C ATOM 278 OH TYR A 19 -1.675 3.260 3.795 1.00 0.00 O ATOM 0 H TYR A 19 -0.461 -3.404 2.587 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.284 -2.520 2.187 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.931 -1.796 0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.617 -1.494 0.008 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.853 -0.486 2.371 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.177 0.149 1.023 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.752 1.630 3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.278 2.264 2.317 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.795 3.675 3.677 1.00 0.00 H new ATOM 288 N CYS A 20 -2.407 -5.154 1.606 1.00 0.00 N ATOM 289 CA CYS A 20 -2.482 -6.446 0.869 1.00 0.00 C ATOM 290 C CYS A 20 -2.763 -7.582 1.852 1.00 0.00 C ATOM 291 O CYS A 20 -2.537 -7.461 3.040 1.00 0.00 O ATOM 292 CB CYS A 20 -1.153 -6.701 0.158 1.00 0.00 C ATOM 293 SG CYS A 20 -1.219 -8.298 -0.691 1.00 0.00 S ATOM 0 H CYS A 20 -2.376 -5.233 2.622 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.286 -6.399 0.134 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.953 -5.904 -0.558 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.336 -6.694 0.879 1.00 0.00 H new ATOM 298 N ASN A 21 -3.255 -8.688 1.365 1.00 0.00 N ATOM 299 CA ASN A 21 -3.552 -9.834 2.269 1.00 0.00 C ATOM 300 C ASN A 21 -2.246 -10.369 2.861 1.00 0.00 C ATOM 301 O ASN A 21 -1.535 -11.056 2.146 1.00 0.00 O ATOM 302 CB ASN A 21 -4.245 -10.943 1.475 1.00 0.00 C ATOM 303 CG ASN A 21 -5.761 -10.757 1.555 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.422 -11.397 2.349 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.344 -9.900 0.762 1.00 0.00 N ATOM 306 OXT ASN A 21 -1.980 -10.084 4.017 1.00 0.00 O ATOM 0 H ASN A 21 -3.464 -8.847 0.379 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.206 -9.501 3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.919 -10.918 0.435 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.966 -11.919 1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.354 -9.767 0.809 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.789 -9.363 0.096 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 9.262 -1.424 -2.547 1.00 0.00 N ATOM 315 CA PHE B 1 9.821 -2.117 -1.348 1.00 0.00 C ATOM 316 C PHE B 1 10.749 -1.158 -0.603 1.00 0.00 C ATOM 317 O PHE B 1 10.544 -0.849 0.555 1.00 0.00 O ATOM 318 CB PHE B 1 10.617 -3.362 -1.767 1.00 0.00 C ATOM 319 CG PHE B 1 10.565 -3.522 -3.263 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.501 -2.864 -4.068 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.569 -4.313 -3.845 1.00 0.00 C ATOM 322 CE1 PHE B 1 11.444 -2.999 -5.458 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.511 -4.450 -5.235 1.00 0.00 C ATOM 324 CZ PHE B 1 10.447 -3.793 -6.045 1.00 0.00 C ATOM 0 H1 PHE B 1 8.340 -1.840 -2.790 1.00 0.00 H new ATOM 0 H2 PHE B 1 9.141 -0.412 -2.338 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.915 -1.537 -3.349 1.00 0.00 H new ATOM 0 HA PHE B 1 8.998 -2.425 -0.703 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.652 -3.271 -1.438 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.205 -4.248 -1.283 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.267 -2.252 -3.616 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.846 -4.817 -3.221 1.00 0.00 H new ATOM 0 HE1 PHE B 1 12.167 -2.492 -6.080 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.744 -5.063 -5.685 1.00 0.00 H new ATOM 0 HZ PHE B 1 10.401 -3.898 -7.119 1.00 0.00 H new ATOM 336 N VAL B 2 11.770 -0.684 -1.263 1.00 0.00 N ATOM 337 CA VAL B 2 12.715 0.253 -0.611 1.00 0.00 C ATOM 338 C VAL B 2 11.960 1.497 -0.143 1.00 0.00 C ATOM 339 O VAL B 2 10.746 1.523 -0.109 1.00 0.00 O ATOM 340 CB VAL B 2 13.779 0.653 -1.629 1.00 0.00 C ATOM 341 CG1 VAL B 2 14.739 -0.516 -1.857 1.00 0.00 C ATOM 342 CG2 VAL B 2 13.100 1.022 -2.951 1.00 0.00 C ATOM 0 H VAL B 2 11.988 -0.910 -2.233 1.00 0.00 H new ATOM 0 HA VAL B 2 13.182 -0.224 0.250 1.00 0.00 H new ATOM 0 HB VAL B 2 14.339 1.509 -1.253 1.00 0.00 H new ATOM 0 HG11 VAL B 2 15.498 -0.227 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL B 2 15.221 -0.780 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL B 2 14.183 -1.375 -2.234 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.857 1.308 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.541 0.164 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.418 1.857 -2.789 1.00 0.00 H new ATOM 352 N ASN B 3 12.671 2.531 0.213 1.00 0.00 N ATOM 353 CA ASN B 3 11.996 3.779 0.675 1.00 0.00 C ATOM 354 C ASN B 3 11.912 4.762 -0.496 1.00 0.00 C ATOM 355 O ASN B 3 12.292 5.909 -0.386 1.00 0.00 O ATOM 356 CB ASN B 3 12.789 4.421 1.826 1.00 0.00 C ATOM 357 CG ASN B 3 13.887 3.469 2.319 1.00 0.00 C ATOM 358 OD1 ASN B 3 14.900 3.305 1.669 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.727 2.833 3.447 1.00 0.00 N ATOM 0 H ASN B 3 13.690 2.567 0.204 1.00 0.00 H new ATOM 0 HA ASN B 3 10.996 3.535 1.032 1.00 0.00 H new ATOM 0 HB2 ASN B 3 13.235 5.357 1.490 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.116 4.665 2.648 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.452 2.199 3.782 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.877 2.970 3.994 1.00 0.00 H new ATOM 366 N GLN B 4 11.422 4.312 -1.621 1.00 0.00 N ATOM 367 CA GLN B 4 11.317 5.213 -2.806 1.00 0.00 C ATOM 368 C GLN B 4 9.875 5.711 -2.961 1.00 0.00 C ATOM 369 O GLN B 4 9.048 5.542 -2.084 1.00 0.00 O ATOM 370 CB GLN B 4 11.727 4.442 -4.064 1.00 0.00 C ATOM 371 CG GLN B 4 13.248 4.509 -4.231 1.00 0.00 C ATOM 372 CD GLN B 4 13.681 5.966 -4.389 1.00 0.00 C ATOM 373 OE1 GLN B 4 12.858 6.842 -4.563 1.00 0.00 O ATOM 374 NE2 GLN B 4 14.951 6.265 -4.337 1.00 0.00 N ATOM 0 H GLN B 4 11.090 3.359 -1.770 1.00 0.00 H new ATOM 0 HA GLN B 4 11.976 6.070 -2.665 1.00 0.00 H new ATOM 0 HB2 GLN B 4 11.404 3.404 -3.988 1.00 0.00 H new ATOM 0 HB3 GLN B 4 11.235 4.866 -4.940 1.00 0.00 H new ATOM 0 HG2 GLN B 4 13.739 4.065 -3.365 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.554 3.931 -5.103 1.00 0.00 H new ATOM 0 HE21 GLN B 4 15.643 5.530 -4.191 1.00 0.00 H new ATOM 0 HE22 GLN B 4 15.252 7.234 -4.442 1.00 0.00 H new ATOM 383 N HIS B 5 9.571 6.321 -4.077 1.00 0.00 N ATOM 384 CA HIS B 5 8.188 6.829 -4.303 1.00 0.00 C ATOM 385 C HIS B 5 7.410 5.812 -5.141 1.00 0.00 C ATOM 386 O HIS B 5 7.866 5.370 -6.177 1.00 0.00 O ATOM 387 CB HIS B 5 8.249 8.163 -5.053 1.00 0.00 C ATOM 388 CG HIS B 5 8.589 9.266 -4.090 1.00 0.00 C ATOM 389 ND1 HIS B 5 7.644 9.792 -3.236 1.00 0.00 N ATOM 390 CD2 HIS B 5 9.762 9.931 -3.861 1.00 0.00 C ATOM 391 CE1 HIS B 5 8.259 10.747 -2.522 1.00 0.00 C ATOM 392 NE2 HIS B 5 9.556 10.868 -2.870 1.00 0.00 N ATOM 0 H HIS B 5 10.224 6.489 -4.843 1.00 0.00 H new ATOM 0 HA HIS B 5 7.691 6.975 -3.344 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.997 8.113 -5.844 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.291 8.367 -5.532 1.00 0.00 H new ATOM 0 HD1 HIS B 5 6.667 9.510 -3.161 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.696 9.752 -4.372 1.00 0.00 H new ATOM 0 HE1 HIS B 5 7.775 11.344 -1.763 1.00 0.00 H new ATOM 400 N LEU B 6 6.240 5.438 -4.705 1.00 0.00 N ATOM 401 CA LEU B 6 5.434 4.455 -5.477 1.00 0.00 C ATOM 402 C LEU B 6 4.352 5.194 -6.257 1.00 0.00 C ATOM 403 O LEU B 6 3.527 5.883 -5.690 1.00 0.00 O ATOM 404 CB LEU B 6 4.789 3.455 -4.518 1.00 0.00 C ATOM 405 CG LEU B 6 5.877 2.735 -3.721 1.00 0.00 C ATOM 406 CD1 LEU B 6 5.345 2.381 -2.332 1.00 0.00 C ATOM 407 CD2 LEU B 6 6.277 1.453 -4.456 1.00 0.00 C ATOM 0 H LEU B 6 5.807 5.772 -3.844 1.00 0.00 H new ATOM 0 HA LEU B 6 6.079 3.917 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.109 3.972 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.194 2.732 -5.076 1.00 0.00 H new ATOM 0 HG LEU B 6 6.746 3.386 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.122 1.868 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.057 3.293 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.477 1.729 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU B 6 7.053 0.937 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU B 6 5.407 0.804 -4.555 1.00 0.00 H new ATOM 0 HD23 LEU B 6 6.656 1.705 -5.446 1.00 0.00 H new ATOM 419 N CYS B 7 4.349 5.065 -7.551 1.00 0.00 N ATOM 420 CA CYS B 7 3.316 5.770 -8.352 1.00 0.00 C ATOM 421 C CYS B 7 2.650 4.786 -9.321 1.00 0.00 C ATOM 422 O CYS B 7 3.309 4.125 -10.101 1.00 0.00 O ATOM 423 CB CYS B 7 3.970 6.906 -9.144 1.00 0.00 C ATOM 424 SG CYS B 7 3.935 8.434 -8.169 1.00 0.00 S ATOM 0 H CYS B 7 5.013 4.505 -8.086 1.00 0.00 H new ATOM 0 HA CYS B 7 2.561 6.181 -7.683 1.00 0.00 H new ATOM 0 HB2 CYS B 7 4.999 6.644 -9.390 1.00 0.00 H new ATOM 0 HB3 CYS B 7 3.444 7.054 -10.087 1.00 0.00 H new ATOM 429 N GLY B 8 1.345 4.704 -9.277 1.00 0.00 N ATOM 430 CA GLY B 8 0.589 3.789 -10.190 1.00 0.00 C ATOM 431 C GLY B 8 1.397 2.529 -10.514 1.00 0.00 C ATOM 432 O GLY B 8 1.526 1.635 -9.701 1.00 0.00 O ATOM 0 H GLY B 8 0.760 5.241 -8.637 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -0.356 3.507 -9.725 1.00 0.00 H new ATOM 0 HA3 GLY B 8 0.345 4.314 -11.114 1.00 0.00 H new ATOM 436 N SER B 9 1.925 2.452 -11.709 1.00 0.00 N ATOM 437 CA SER B 9 2.714 1.253 -12.121 1.00 0.00 C ATOM 438 C SER B 9 3.565 0.751 -10.955 1.00 0.00 C ATOM 439 O SER B 9 3.274 -0.266 -10.356 1.00 0.00 O ATOM 440 CB SER B 9 3.628 1.627 -13.288 1.00 0.00 C ATOM 441 OG SER B 9 4.638 2.515 -12.828 1.00 0.00 O ATOM 0 H SER B 9 1.842 3.176 -12.423 1.00 0.00 H new ATOM 0 HA SER B 9 2.026 0.463 -12.424 1.00 0.00 H new ATOM 0 HB2 SER B 9 4.081 0.731 -13.712 1.00 0.00 H new ATOM 0 HB3 SER B 9 3.049 2.097 -14.082 1.00 0.00 H new ATOM 0 HG SER B 9 5.227 2.755 -13.574 1.00 0.00 H new ATOM 447 N ASP B 10 4.613 1.451 -10.628 1.00 0.00 N ATOM 448 CA ASP B 10 5.477 1.007 -9.503 1.00 0.00 C ATOM 449 C ASP B 10 4.595 0.670 -8.313 1.00 0.00 C ATOM 450 O ASP B 10 4.776 -0.329 -7.647 1.00 0.00 O ATOM 451 CB ASP B 10 6.429 2.137 -9.113 1.00 0.00 C ATOM 452 CG ASP B 10 7.293 2.517 -10.316 1.00 0.00 C ATOM 453 OD1 ASP B 10 7.584 1.640 -11.112 1.00 0.00 O ATOM 454 OD2 ASP B 10 7.651 3.679 -10.421 1.00 0.00 O ATOM 0 H ASP B 10 4.908 2.311 -11.091 1.00 0.00 H new ATOM 0 HA ASP B 10 6.054 0.133 -9.805 1.00 0.00 H new ATOM 0 HB2 ASP B 10 5.862 3.003 -8.772 1.00 0.00 H new ATOM 0 HB3 ASP B 10 7.062 1.823 -8.283 1.00 0.00 H new ATOM 459 N LEU B 11 3.633 1.501 -8.046 1.00 0.00 N ATOM 460 CA LEU B 11 2.726 1.239 -6.901 1.00 0.00 C ATOM 461 C LEU B 11 2.279 -0.218 -6.960 1.00 0.00 C ATOM 462 O LEU B 11 2.418 -0.963 -6.010 1.00 0.00 O ATOM 463 CB LEU B 11 1.509 2.158 -7.022 1.00 0.00 C ATOM 464 CG LEU B 11 0.792 2.372 -5.673 1.00 0.00 C ATOM 465 CD1 LEU B 11 1.754 2.279 -4.483 1.00 0.00 C ATOM 466 CD2 LEU B 11 0.174 3.766 -5.681 1.00 0.00 C ATOM 0 H LEU B 11 3.435 2.352 -8.572 1.00 0.00 H new ATOM 0 HA LEU B 11 3.234 1.428 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.825 3.123 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.807 1.733 -7.739 1.00 0.00 H new ATOM 0 HG LEU B 11 0.041 1.590 -5.560 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.202 2.436 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.218 1.293 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.527 3.042 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.340 3.942 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.959 4.511 -5.811 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.539 3.843 -6.502 1.00 0.00 H new ATOM 478 N ALA B 12 1.757 -0.632 -8.079 1.00 0.00 N ATOM 479 CA ALA B 12 1.313 -2.044 -8.216 1.00 0.00 C ATOM 480 C ALA B 12 2.545 -2.938 -8.312 1.00 0.00 C ATOM 481 O ALA B 12 2.722 -3.843 -7.528 1.00 0.00 O ATOM 482 CB ALA B 12 0.473 -2.199 -9.483 1.00 0.00 C ATOM 0 H ALA B 12 1.619 -0.052 -8.906 1.00 0.00 H new ATOM 0 HA ALA B 12 0.712 -2.327 -7.352 1.00 0.00 H new ATOM 0 HB1 ALA B 12 0.149 -3.235 -9.580 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -0.401 -1.550 -9.422 1.00 0.00 H new ATOM 0 HB3 ALA B 12 1.070 -1.922 -10.352 1.00 0.00 H new ATOM 488 N GLU B 13 3.406 -2.686 -9.262 1.00 0.00 N ATOM 489 CA GLU B 13 4.626 -3.527 -9.392 1.00 0.00 C ATOM 490 C GLU B 13 5.273 -3.677 -8.018 1.00 0.00 C ATOM 491 O GLU B 13 5.890 -4.681 -7.720 1.00 0.00 O ATOM 492 CB GLU B 13 5.611 -2.863 -10.357 1.00 0.00 C ATOM 493 CG GLU B 13 5.490 -3.519 -11.734 1.00 0.00 C ATOM 494 CD GLU B 13 6.708 -3.155 -12.584 1.00 0.00 C ATOM 495 OE1 GLU B 13 7.607 -2.521 -12.055 1.00 0.00 O ATOM 496 OE2 GLU B 13 6.724 -3.517 -13.749 1.00 0.00 O ATOM 0 H GLU B 13 3.316 -1.938 -9.949 1.00 0.00 H new ATOM 0 HA GLU B 13 4.356 -4.509 -9.781 1.00 0.00 H new ATOM 0 HB2 GLU B 13 5.402 -1.796 -10.430 1.00 0.00 H new ATOM 0 HB3 GLU B 13 6.629 -2.964 -9.982 1.00 0.00 H new ATOM 0 HG2 GLU B 13 5.419 -4.601 -11.627 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.577 -3.186 -12.228 1.00 0.00 H new ATOM 503 N ALA B 14 5.125 -2.695 -7.168 1.00 0.00 N ATOM 504 CA ALA B 14 5.723 -2.809 -5.811 1.00 0.00 C ATOM 505 C ALA B 14 4.869 -3.766 -4.984 1.00 0.00 C ATOM 506 O ALA B 14 5.359 -4.736 -4.442 1.00 0.00 O ATOM 507 CB ALA B 14 5.754 -1.432 -5.142 1.00 0.00 C ATOM 0 H ALA B 14 4.621 -1.828 -7.354 1.00 0.00 H new ATOM 0 HA ALA B 14 6.743 -3.187 -5.883 1.00 0.00 H new ATOM 0 HB1 ALA B 14 6.193 -1.520 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA B 14 6.353 -0.749 -5.744 1.00 0.00 H new ATOM 0 HB3 ALA B 14 4.738 -1.046 -5.057 1.00 0.00 H new ATOM 513 N LEU B 15 3.589 -3.516 -4.898 1.00 0.00 N ATOM 514 CA LEU B 15 2.712 -4.432 -4.118 1.00 0.00 C ATOM 515 C LEU B 15 2.673 -5.791 -4.825 1.00 0.00 C ATOM 516 O LEU B 15 2.458 -6.821 -4.219 1.00 0.00 O ATOM 517 CB LEU B 15 1.291 -3.863 -4.066 1.00 0.00 C ATOM 518 CG LEU B 15 1.274 -2.572 -3.251 1.00 0.00 C ATOM 519 CD1 LEU B 15 -0.057 -1.855 -3.472 1.00 0.00 C ATOM 520 CD2 LEU B 15 1.427 -2.906 -1.768 1.00 0.00 C ATOM 0 H LEU B 15 3.117 -2.722 -5.332 1.00 0.00 H new ATOM 0 HA LEU B 15 3.100 -4.538 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.931 -3.669 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.615 -4.593 -3.621 1.00 0.00 H new ATOM 0 HG LEU B 15 2.095 -1.929 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -0.074 -0.932 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.173 -1.621 -4.530 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.875 -2.500 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU B 15 1.415 -1.985 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.603 -3.546 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.372 -3.425 -1.608 1.00 0.00 H new ATOM 532 N TYR B 16 2.868 -5.782 -6.117 1.00 0.00 N ATOM 533 CA TYR B 16 2.837 -7.045 -6.911 1.00 0.00 C ATOM 534 C TYR B 16 3.998 -7.950 -6.515 1.00 0.00 C ATOM 535 O TYR B 16 3.878 -9.158 -6.478 1.00 0.00 O ATOM 536 CB TYR B 16 2.986 -6.700 -8.396 1.00 0.00 C ATOM 537 CG TYR B 16 1.908 -7.390 -9.184 1.00 0.00 C ATOM 538 CD1 TYR B 16 1.956 -8.777 -9.372 1.00 0.00 C ATOM 539 CD2 TYR B 16 0.861 -6.641 -9.725 1.00 0.00 C ATOM 540 CE1 TYR B 16 0.948 -9.416 -10.105 1.00 0.00 C ATOM 541 CE2 TYR B 16 -0.148 -7.277 -10.460 1.00 0.00 C ATOM 542 CZ TYR B 16 -0.105 -8.665 -10.649 1.00 0.00 C ATOM 543 OH TYR B 16 -1.099 -9.293 -11.371 1.00 0.00 O ATOM 0 H TYR B 16 3.050 -4.940 -6.664 1.00 0.00 H new ATOM 0 HA TYR B 16 1.894 -7.557 -6.721 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.920 -5.621 -8.538 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.968 -7.009 -8.755 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.768 -9.352 -8.953 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.829 -5.572 -9.577 1.00 0.00 H new ATOM 0 HE1 TYR B 16 0.981 -10.486 -10.251 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.958 -6.699 -10.880 1.00 0.00 H new ATOM 0 HH TYR B 16 -1.752 -8.628 -11.676 1.00 0.00 H new ATOM 553 N LEU B 17 5.127 -7.371 -6.256 1.00 0.00 N ATOM 554 CA LEU B 17 6.320 -8.167 -5.902 1.00 0.00 C ATOM 555 C LEU B 17 6.333 -8.460 -4.398 1.00 0.00 C ATOM 556 O LEU B 17 6.787 -9.498 -3.961 1.00 0.00 O ATOM 557 CB LEU B 17 7.530 -7.343 -6.310 1.00 0.00 C ATOM 558 CG LEU B 17 8.832 -8.017 -5.899 1.00 0.00 C ATOM 559 CD1 LEU B 17 8.723 -9.548 -5.966 1.00 0.00 C ATOM 560 CD2 LEU B 17 9.917 -7.562 -6.861 1.00 0.00 C ATOM 0 H LEU B 17 5.275 -6.362 -6.275 1.00 0.00 H new ATOM 0 HA LEU B 17 6.323 -9.129 -6.414 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.522 -7.194 -7.390 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.470 -6.356 -5.851 1.00 0.00 H new ATOM 0 HG LEU B 17 9.063 -7.740 -4.870 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.671 -9.994 -5.666 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.934 -9.886 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.486 -9.852 -6.986 1.00 0.00 H new ATOM 0 HD21 LEU B 17 10.863 -8.030 -6.590 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.647 -7.851 -7.877 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.020 -6.478 -6.807 1.00 0.00 H new ATOM 572 N VAL B 18 5.831 -7.562 -3.601 1.00 0.00 N ATOM 573 CA VAL B 18 5.814 -7.805 -2.130 1.00 0.00 C ATOM 574 C VAL B 18 4.791 -8.894 -1.811 1.00 0.00 C ATOM 575 O VAL B 18 5.024 -9.761 -0.993 1.00 0.00 O ATOM 576 CB VAL B 18 5.441 -6.510 -1.399 1.00 0.00 C ATOM 577 CG1 VAL B 18 6.140 -5.336 -2.071 1.00 0.00 C ATOM 578 CG2 VAL B 18 3.927 -6.287 -1.457 1.00 0.00 C ATOM 0 H VAL B 18 5.432 -6.672 -3.901 1.00 0.00 H new ATOM 0 HA VAL B 18 6.801 -8.128 -1.800 1.00 0.00 H new ATOM 0 HB VAL B 18 5.753 -6.588 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.878 -4.413 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.219 -5.482 -2.028 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.824 -5.272 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.675 -5.364 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.610 -6.213 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.417 -7.125 -0.981 1.00 0.00 H new ATOM 588 N CYS B 19 3.659 -8.852 -2.454 1.00 0.00 N ATOM 589 CA CYS B 19 2.622 -9.882 -2.189 1.00 0.00 C ATOM 590 C CYS B 19 2.700 -10.965 -3.271 1.00 0.00 C ATOM 591 O CYS B 19 2.983 -12.113 -2.994 1.00 0.00 O ATOM 592 CB CYS B 19 1.238 -9.229 -2.201 1.00 0.00 C ATOM 593 SG CYS B 19 0.650 -9.039 -0.498 1.00 0.00 S ATOM 0 H CYS B 19 3.408 -8.150 -3.150 1.00 0.00 H new ATOM 0 HA CYS B 19 2.792 -10.335 -1.212 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.286 -8.257 -2.692 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.540 -9.840 -2.773 1.00 0.00 H new ATOM 598 N GLY B 20 2.459 -10.605 -4.503 1.00 0.00 N ATOM 599 CA GLY B 20 2.529 -11.611 -5.602 1.00 0.00 C ATOM 600 C GLY B 20 1.339 -12.568 -5.510 1.00 0.00 C ATOM 601 O GLY B 20 1.222 -13.339 -4.579 1.00 0.00 O ATOM 0 H GLY B 20 2.217 -9.658 -4.796 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.527 -11.107 -6.568 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.462 -12.170 -5.536 1.00 0.00 H new ATOM 605 N GLU B 21 0.459 -12.521 -6.475 1.00 0.00 N ATOM 606 CA GLU B 21 -0.731 -13.423 -6.466 1.00 0.00 C ATOM 607 C GLU B 21 -1.286 -13.555 -5.049 1.00 0.00 C ATOM 608 O GLU B 21 -1.886 -14.551 -4.697 1.00 0.00 O ATOM 609 CB GLU B 21 -0.333 -14.804 -6.991 1.00 0.00 C ATOM 610 CG GLU B 21 0.909 -15.299 -6.246 1.00 0.00 C ATOM 611 CD GLU B 21 1.221 -16.735 -6.670 1.00 0.00 C ATOM 612 OE1 GLU B 21 0.439 -17.612 -6.341 1.00 0.00 O ATOM 613 OE2 GLU B 21 2.236 -16.936 -7.317 1.00 0.00 O ATOM 0 H GLU B 21 0.514 -11.891 -7.276 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.501 -12.996 -7.108 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -1.155 -15.507 -6.855 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.131 -14.753 -8.061 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.759 -14.652 -6.464 1.00 0.00 H new ATOM 0 HG3 GLU B 21 0.742 -15.255 -5.170 1.00 0.00 H new ATOM 620 N ARG B 22 -1.105 -12.552 -4.242 1.00 0.00 N ATOM 621 CA ARG B 22 -1.637 -12.609 -2.855 1.00 0.00 C ATOM 622 C ARG B 22 -2.878 -11.721 -2.770 1.00 0.00 C ATOM 623 O ARG B 22 -3.642 -11.785 -1.829 1.00 0.00 O ATOM 624 CB ARG B 22 -0.574 -12.101 -1.883 1.00 0.00 C ATOM 625 CG ARG B 22 -0.041 -13.275 -1.057 1.00 0.00 C ATOM 626 CD ARG B 22 1.483 -13.193 -0.967 1.00 0.00 C ATOM 627 NE ARG B 22 1.947 -13.952 0.229 1.00 0.00 N ATOM 628 CZ ARG B 22 2.959 -13.517 0.928 1.00 0.00 C ATOM 629 NH1 ARG B 22 2.948 -12.303 1.405 1.00 0.00 N ATOM 630 NH2 ARG B 22 3.982 -14.298 1.152 1.00 0.00 N ATOM 0 H ARG B 22 -0.611 -11.693 -4.483 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.898 -13.635 -2.595 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.240 -11.628 -2.432 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.999 -11.342 -1.226 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -0.475 -13.256 -0.057 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -0.337 -14.219 -1.515 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.935 -13.603 -1.870 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.799 -12.152 -0.897 1.00 0.00 H new ATOM 0 HE ARG B 22 1.473 -14.813 0.501 1.00 0.00 H new ATOM 0 HH11 ARG B 22 2.148 -11.694 1.231 1.00 0.00 H new ATOM 0 HH12 ARG B 22 3.739 -11.963 1.952 1.00 0.00 H new ATOM 0 HH21 ARG B 22 3.989 -15.248 0.780 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.773 -13.958 1.698 1.00 0.00 H new ATOM 644 N GLY B 23 -3.085 -10.898 -3.762 1.00 0.00 N ATOM 645 CA GLY B 23 -4.281 -10.007 -3.760 1.00 0.00 C ATOM 646 C GLY B 23 -3.999 -8.748 -2.937 1.00 0.00 C ATOM 647 O GLY B 23 -4.308 -8.681 -1.763 1.00 0.00 O ATOM 0 H GLY B 23 -2.477 -10.804 -4.575 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.541 -9.732 -4.782 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.138 -10.537 -3.345 1.00 0.00 H new ATOM 651 N PHE B 24 -3.425 -7.742 -3.542 1.00 0.00 N ATOM 652 CA PHE B 24 -3.140 -6.487 -2.788 1.00 0.00 C ATOM 653 C PHE B 24 -4.118 -5.402 -3.234 1.00 0.00 C ATOM 654 O PHE B 24 -4.327 -5.185 -4.411 1.00 0.00 O ATOM 655 CB PHE B 24 -1.706 -6.030 -3.057 1.00 0.00 C ATOM 656 CG PHE B 24 -1.483 -5.896 -4.544 1.00 0.00 C ATOM 657 CD1 PHE B 24 -1.881 -4.731 -5.211 1.00 0.00 C ATOM 658 CD2 PHE B 24 -0.870 -6.937 -5.253 1.00 0.00 C ATOM 659 CE1 PHE B 24 -1.664 -4.605 -6.590 1.00 0.00 C ATOM 660 CE2 PHE B 24 -0.656 -6.813 -6.631 1.00 0.00 C ATOM 661 CZ PHE B 24 -1.051 -5.647 -7.300 1.00 0.00 C ATOM 0 H PHE B 24 -3.142 -7.735 -4.522 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.257 -6.671 -1.720 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.520 -5.075 -2.565 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.001 -6.748 -2.637 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.355 -3.930 -4.663 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.563 -7.835 -4.737 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -1.969 -3.706 -7.105 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.186 -7.617 -7.179 1.00 0.00 H new ATOM 0 HZ PHE B 24 -0.883 -5.551 -8.363 1.00 0.00 H new ATOM 671 N PHE B 25 -4.730 -4.725 -2.302 1.00 0.00 N ATOM 672 CA PHE B 25 -5.704 -3.666 -2.678 1.00 0.00 C ATOM 673 C PHE B 25 -5.058 -2.282 -2.575 1.00 0.00 C ATOM 674 O PHE B 25 -4.427 -1.949 -1.592 1.00 0.00 O ATOM 675 CB PHE B 25 -6.916 -3.732 -1.745 1.00 0.00 C ATOM 676 CG PHE B 25 -6.451 -3.674 -0.310 1.00 0.00 C ATOM 677 CD1 PHE B 25 -6.301 -2.435 0.327 1.00 0.00 C ATOM 678 CD2 PHE B 25 -6.170 -4.858 0.385 1.00 0.00 C ATOM 679 CE1 PHE B 25 -5.870 -2.378 1.659 1.00 0.00 C ATOM 680 CE2 PHE B 25 -5.739 -4.801 1.718 1.00 0.00 C ATOM 681 CZ PHE B 25 -5.589 -3.561 2.354 1.00 0.00 C ATOM 0 H PHE B 25 -4.597 -4.860 -1.300 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.020 -3.831 -3.708 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.594 -2.904 -1.953 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.474 -4.652 -1.921 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.518 -1.523 -0.209 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.285 -5.813 -0.106 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.755 -1.423 2.149 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -5.523 -5.713 2.255 1.00 0.00 H new ATOM 0 HZ PHE B 25 -5.257 -3.518 3.381 1.00 0.00 H new ATOM 691 N TYR B 26 -5.234 -1.470 -3.582 1.00 0.00 N ATOM 692 CA TYR B 26 -4.659 -0.095 -3.559 1.00 0.00 C ATOM 693 C TYR B 26 -5.800 0.902 -3.871 1.00 0.00 C ATOM 694 O TYR B 26 -5.796 1.611 -4.854 1.00 0.00 O ATOM 695 CB TYR B 26 -3.509 -0.007 -4.589 1.00 0.00 C ATOM 696 CG TYR B 26 -4.028 0.466 -5.922 1.00 0.00 C ATOM 697 CD1 TYR B 26 -4.860 -0.359 -6.683 1.00 0.00 C ATOM 698 CD2 TYR B 26 -3.711 1.753 -6.371 1.00 0.00 C ATOM 699 CE1 TYR B 26 -5.380 0.101 -7.898 1.00 0.00 C ATOM 700 CE2 TYR B 26 -4.223 2.215 -7.589 1.00 0.00 C ATOM 701 CZ TYR B 26 -5.060 1.389 -8.355 1.00 0.00 C ATOM 702 OH TYR B 26 -5.571 1.843 -9.554 1.00 0.00 O ATOM 0 H TYR B 26 -5.756 -1.703 -4.427 1.00 0.00 H new ATOM 0 HA TYR B 26 -4.240 0.149 -2.583 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -2.741 0.677 -4.228 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -3.038 -0.984 -4.701 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.102 -1.352 -6.334 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.071 2.390 -5.778 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.027 -0.535 -8.484 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.974 3.206 -7.939 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.252 2.754 -9.721 1.00 0.00 H new ATOM 712 N THR B 27 -6.801 0.930 -3.039 1.00 0.00 N ATOM 713 CA THR B 27 -7.957 1.841 -3.284 1.00 0.00 C ATOM 714 C THR B 27 -7.486 3.217 -3.764 1.00 0.00 C ATOM 715 O THR B 27 -6.313 3.525 -3.766 1.00 0.00 O ATOM 716 CB THR B 27 -8.749 2.008 -1.991 1.00 0.00 C ATOM 717 OG1 THR B 27 -9.477 3.228 -2.037 1.00 0.00 O ATOM 718 CG2 THR B 27 -7.776 2.034 -0.816 1.00 0.00 C ATOM 0 H THR B 27 -6.871 0.360 -2.196 1.00 0.00 H new ATOM 0 HA THR B 27 -8.583 1.400 -4.060 1.00 0.00 H new ATOM 0 HB THR B 27 -9.447 1.179 -1.872 1.00 0.00 H new ATOM 0 HG1 THR B 27 -9.988 3.336 -1.208 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.332 2.153 0.114 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.216 1.099 -0.787 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.084 2.868 -0.935 1.00 0.00 H new ATOM 726 N LYS B 28 -8.417 4.042 -4.169 1.00 0.00 N ATOM 727 CA LYS B 28 -8.072 5.406 -4.664 1.00 0.00 C ATOM 728 C LYS B 28 -7.431 5.290 -6.050 1.00 0.00 C ATOM 729 O LYS B 28 -6.247 5.514 -6.207 1.00 0.00 O ATOM 730 CB LYS B 28 -7.102 6.096 -3.700 1.00 0.00 C ATOM 731 CG LYS B 28 -6.815 7.513 -4.199 1.00 0.00 C ATOM 732 CD LYS B 28 -6.475 8.415 -3.012 1.00 0.00 C ATOM 733 CE LYS B 28 -7.729 8.644 -2.168 1.00 0.00 C ATOM 734 NZ LYS B 28 -8.030 10.102 -2.115 1.00 0.00 N ATOM 0 H LYS B 28 -9.414 3.825 -4.177 1.00 0.00 H new ATOM 0 HA LYS B 28 -8.981 6.004 -4.726 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.530 6.131 -2.698 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.174 5.528 -3.631 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.987 7.499 -4.907 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.682 7.905 -4.730 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -5.694 7.956 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -6.084 9.368 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.573 8.103 -2.596 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.579 8.256 -1.161 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -8.883 10.260 -1.541 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.227 10.607 -1.688 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.190 10.459 -3.079 1.00 0.00 H new ATOM 748 N PRO B 29 -8.243 4.937 -7.016 1.00 0.00 N ATOM 749 CA PRO B 29 -7.799 4.774 -8.412 1.00 0.00 C ATOM 750 C PRO B 29 -7.661 6.139 -9.091 1.00 0.00 C ATOM 751 O PRO B 29 -8.211 7.126 -8.644 1.00 0.00 O ATOM 752 CB PRO B 29 -8.927 3.958 -9.052 1.00 0.00 C ATOM 753 CG PRO B 29 -10.183 4.188 -8.178 1.00 0.00 C ATOM 754 CD PRO B 29 -9.683 4.670 -6.804 1.00 0.00 C ATOM 0 HA PRO B 29 -6.826 4.291 -8.500 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -9.104 4.279 -10.079 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -8.668 2.900 -9.089 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -10.840 4.929 -8.632 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.760 3.268 -8.079 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.211 5.567 -6.480 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.839 3.913 -6.035 1.00 0.00 H new ATOM 762 N THR B 30 -6.928 6.202 -10.169 1.00 0.00 N ATOM 763 CA THR B 30 -6.752 7.501 -10.876 1.00 0.00 C ATOM 764 C THR B 30 -7.471 7.446 -12.226 1.00 0.00 C ATOM 765 O THR B 30 -7.870 6.363 -12.618 1.00 0.00 O ATOM 766 CB THR B 30 -5.260 7.760 -11.101 1.00 0.00 C ATOM 767 OG1 THR B 30 -4.599 6.525 -11.341 1.00 0.00 O ATOM 768 CG2 THR B 30 -4.666 8.427 -9.860 1.00 0.00 C ATOM 769 OXT THR B 30 -7.610 8.490 -12.844 1.00 0.00 O ATOM 0 H THR B 30 -6.444 5.409 -10.590 1.00 0.00 H new ATOM 0 HA THR B 30 -7.173 8.305 -10.273 1.00 0.00 H new ATOM 0 HB THR B 30 -5.128 8.416 -11.962 1.00 0.00 H new ATOM 0 HG1 THR B 30 -3.644 6.688 -11.487 1.00 0.00 H new ATOM 0 HG21 THR B 30 -3.604 8.612 -10.019 1.00 0.00 H new ATOM 0 HG22 THR B 30 -5.175 9.373 -9.676 1.00 0.00 H new ATOM 0 HG23 THR B 30 -4.795 7.772 -8.998 1.00 0.00 H new TER 777 THR B 30