USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 374 hydrogens (15 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 26 NVA HD1 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA H2 : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD NoAdj-H: B 26 NVA H : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.194 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 8 THR OG1 : rot -77:sc= 1.16 USER MOD Single : A 9 SER OG : rot 180:sc= 0.218 USER MOD Single : A 15 GLN : amide:sc= 0.695 K(o=0.7,f=-4.3!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 19 TYR OH : rot 100:sc= -0.414 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 144:sc= 0.067 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0522 K(o=-0.052,f=-1.4) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc=-0.00454 X(o=-0.0045,f=-0.47) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0297 USER MOD Single : B 10 HIS : no HD1:sc= -0.0324 X(o=-0.032,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.553 -1.599 0.154 1.00 25.00 N ATOM 2 CA GLY A 1 2.323 -1.279 -1.061 1.00 25.00 C ATOM 3 C GLY A 1 1.496 -1.618 -2.304 1.00 25.00 C ATOM 4 O GLY A 1 0.391 -2.148 -2.131 1.00 25.00 O ATOM 0 H1 GLY A 1 1.451 -0.743 0.736 1.00 25.00 H new ATOM 0 H2 GLY A 1 0.612 -1.950 -0.114 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.053 -2.330 0.699 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.588 -0.222 -1.067 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.257 -1.842 -1.070 1.00 25.00 H new ATOM 10 N ILE A 2 1.947 -1.244 -3.500 1.00 25.00 N ATOM 11 CA ILE A 2 1.211 -1.480 -4.733 1.00 25.00 C ATOM 12 C ILE A 2 0.799 -2.972 -4.981 1.00 25.00 C ATOM 13 O ILE A 2 -0.272 -3.203 -5.476 1.00 25.00 O ATOM 14 CB ILE A 2 2.054 -0.936 -5.955 1.00 25.00 C ATOM 15 CG1 ILE A 2 1.236 -0.955 -7.256 1.00 25.00 C ATOM 16 CG2 ILE A 2 3.423 -1.714 -6.134 1.00 25.00 C ATOM 17 CD1 ILE A 2 1.906 -0.297 -8.453 1.00 25.00 C ATOM 0 H ILE A 2 2.838 -0.767 -3.638 1.00 25.00 H new ATOM 0 HA ILE A 2 0.270 -0.940 -4.631 1.00 25.00 H new ATOM 0 HB ILE A 2 2.301 0.101 -5.727 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.011 -1.991 -7.510 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.283 -0.458 -7.074 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.966 -1.304 -6.986 1.00 25.00 H new ATOM 0 HG22 ILE A 2 4.025 -1.603 -5.232 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.221 -2.771 -6.307 1.00 25.00 H new ATOM 0 HD11 ILE A 2 1.248 -0.363 -9.320 1.00 25.00 H new ATOM 0 HD12 ILE A 2 2.105 0.751 -8.228 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.845 -0.807 -8.670 1.00 25.00 H new ATOM 29 N VAL A 3 1.606 -3.949 -4.592 1.00 25.00 N ATOM 30 CA VAL A 3 1.271 -5.350 -4.804 1.00 25.00 C ATOM 31 C VAL A 3 -0.015 -5.726 -4.067 1.00 25.00 C ATOM 32 O VAL A 3 -0.815 -6.455 -4.603 1.00 25.00 O ATOM 33 CB VAL A 3 2.420 -6.276 -4.381 1.00 25.00 C ATOM 34 CG1 VAL A 3 3.342 -6.567 -5.557 1.00 25.00 C ATOM 35 CG2 VAL A 3 3.204 -5.691 -3.170 1.00 25.00 C ATOM 0 H VAL A 3 2.501 -3.796 -4.126 1.00 25.00 H new ATOM 0 HA VAL A 3 1.108 -5.484 -5.873 1.00 25.00 H new ATOM 0 HB VAL A 3 1.987 -7.222 -4.057 1.00 25.00 H new ATOM 0 HG11 VAL A 3 4.148 -7.225 -5.233 1.00 25.00 H new ATOM 0 HG12 VAL A 3 2.776 -7.052 -6.352 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.763 -5.633 -5.929 1.00 25.00 H new ATOM 0 HG21 VAL A 3 4.010 -6.371 -2.896 1.00 25.00 H new ATOM 0 HG22 VAL A 3 3.623 -4.722 -3.442 1.00 25.00 H new ATOM 0 HG23 VAL A 3 2.528 -5.570 -2.323 1.00 25.00 H new ATOM 45 N GLU A 4 -0.253 -5.192 -2.889 1.00 25.00 N ATOM 46 CA GLU A 4 -1.452 -5.492 -2.130 1.00 25.00 C ATOM 47 C GLU A 4 -2.664 -4.882 -2.875 1.00 25.00 C ATOM 48 O GLU A 4 -3.695 -5.542 -2.975 1.00 25.00 O ATOM 49 CB GLU A 4 -1.335 -4.828 -0.750 1.00 25.00 C ATOM 50 CG GLU A 4 -0.300 -5.462 0.122 1.00 25.00 C ATOM 51 CD GLU A 4 -0.908 -6.401 1.198 1.00 25.00 C ATOM 52 OE1 GLU A 4 -1.682 -7.276 0.832 1.00 25.00 O ATOM 53 OE2 GLU A 4 -0.620 -6.221 2.395 1.00 25.00 O ATOM 0 H GLU A 4 0.378 -4.537 -2.428 1.00 25.00 H new ATOM 0 HA GLU A 4 -1.577 -6.569 -2.019 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.094 -3.773 -0.881 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.302 -4.874 -0.248 1.00 25.00 H new ATOM 0 HG2 GLU A 4 0.392 -6.030 -0.499 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.280 -4.682 0.614 1.00 25.00 H new ATOM 60 N GLN A 5 -2.555 -3.672 -3.375 1.00 25.00 N ATOM 61 CA GLN A 5 -3.689 -3.010 -4.020 1.00 25.00 C ATOM 62 C GLN A 5 -4.026 -3.789 -5.258 1.00 25.00 C ATOM 63 O GLN A 5 -5.171 -4.003 -5.533 1.00 25.00 O ATOM 64 CB GLN A 5 -3.310 -1.565 -4.351 1.00 25.00 C ATOM 65 CG GLN A 5 -4.463 -0.700 -4.843 1.00 25.00 C ATOM 66 CD GLN A 5 -4.079 0.747 -4.980 1.00 25.00 C ATOM 67 OE1 GLN A 5 -2.896 1.052 -5.173 1.00 25.00 O ATOM 68 NE2 GLN A 5 -5.054 1.647 -4.967 1.00 25.00 N ATOM 0 H GLN A 5 -1.698 -3.119 -3.352 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.560 -2.980 -3.365 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.882 -1.103 -3.461 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.530 -1.574 -5.112 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -4.808 -1.074 -5.807 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -5.300 -0.787 -4.150 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -6.017 1.353 -4.804 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.840 2.633 -5.120 1.00 25.00 H new ATOM 77 N CYS A 6 -3.008 -4.153 -6.035 1.00 25.00 N ATOM 78 CA CYS A 6 -3.224 -4.884 -7.289 1.00 25.00 C ATOM 79 C CYS A 6 -3.745 -6.294 -7.037 1.00 25.00 C ATOM 80 O CYS A 6 -4.490 -6.810 -7.828 1.00 25.00 O ATOM 81 CB CYS A 6 -1.917 -4.999 -8.113 1.00 25.00 C ATOM 82 SG CYS A 6 -2.050 -4.545 -9.843 1.00 25.00 S ATOM 0 H CYS A 6 -2.030 -3.957 -5.823 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.965 -4.311 -7.846 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.159 -4.369 -7.648 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -1.559 -6.027 -8.052 1.00 25.00 H new ATOM 87 N CYS A 7 -3.339 -6.920 -5.920 1.00 25.00 N ATOM 88 CA CYS A 7 -3.675 -8.314 -5.599 1.00 25.00 C ATOM 89 C CYS A 7 -5.130 -8.382 -5.298 1.00 25.00 C ATOM 90 O CYS A 7 -5.846 -9.176 -5.869 1.00 25.00 O ATOM 91 CB CYS A 7 -2.879 -8.760 -4.332 1.00 25.00 C ATOM 92 SG CYS A 7 -3.420 -10.347 -3.611 1.00 25.00 S ATOM 0 H CYS A 7 -2.764 -6.468 -5.210 1.00 25.00 H new ATOM 0 HA CYS A 7 -3.422 -8.964 -6.437 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -1.823 -8.835 -4.591 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -2.966 -7.983 -3.573 1.00 25.00 H new ATOM 97 N THR A 8 -5.556 -7.503 -4.386 1.00 25.00 N ATOM 98 CA THR A 8 -6.907 -7.486 -3.902 1.00 25.00 C ATOM 99 C THR A 8 -7.900 -6.804 -4.844 1.00 25.00 C ATOM 100 O THR A 8 -8.926 -6.315 -4.450 1.00 25.00 O ATOM 101 CB THR A 8 -6.993 -6.737 -2.523 1.00 25.00 C ATOM 102 OG1 THR A 8 -6.404 -5.436 -2.615 1.00 25.00 O ATOM 103 CG2 THR A 8 -6.193 -7.516 -1.461 1.00 25.00 C ATOM 0 H THR A 8 -4.958 -6.788 -3.972 1.00 25.00 H new ATOM 0 HA THR A 8 -7.181 -8.537 -3.814 1.00 25.00 H new ATOM 0 HB THR A 8 -8.046 -6.659 -2.253 1.00 25.00 H new ATOM 0 HG1 THR A 8 -5.428 -5.517 -2.597 1.00 25.00 H new ATOM 0 HG21 THR A 8 -6.254 -6.995 -0.505 1.00 25.00 H new ATOM 0 HG22 THR A 8 -6.608 -8.518 -1.355 1.00 25.00 H new ATOM 0 HG23 THR A 8 -5.150 -7.586 -1.770 1.00 25.00 H new ATOM 111 N SER A 9 -7.502 -6.709 -6.111 1.00 25.00 N ATOM 112 CA SER A 9 -8.306 -5.940 -7.054 1.00 25.00 C ATOM 113 C SER A 9 -8.012 -6.339 -8.517 1.00 25.00 C ATOM 114 O SER A 9 -7.253 -7.252 -8.820 1.00 25.00 O ATOM 115 CB SER A 9 -8.025 -4.459 -6.882 1.00 25.00 C ATOM 116 OG SER A 9 -9.036 -3.621 -7.406 1.00 25.00 O ATOM 0 H SER A 9 -6.660 -7.137 -6.497 1.00 25.00 H new ATOM 0 HA SER A 9 -9.353 -6.155 -6.842 1.00 25.00 H new ATOM 0 HB2 SER A 9 -7.901 -4.243 -5.821 1.00 25.00 H new ATOM 0 HB3 SER A 9 -7.079 -4.219 -7.368 1.00 25.00 H new ATOM 0 HG SER A 9 -8.792 -2.683 -7.260 1.00 25.00 H new ATOM 122 N ILE A 10 -8.619 -5.585 -9.395 1.00 25.00 N ATOM 123 CA ILE A 10 -8.423 -5.707 -10.812 1.00 25.00 C ATOM 124 C ILE A 10 -7.289 -4.744 -11.188 1.00 25.00 C ATOM 125 O ILE A 10 -7.467 -3.548 -11.172 1.00 25.00 O ATOM 126 CB ILE A 10 -9.750 -5.319 -11.568 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.899 -6.319 -11.246 1.00 25.00 C ATOM 128 CG2 ILE A 10 -9.537 -5.317 -13.109 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.575 -7.842 -11.497 1.00 25.00 C ATOM 0 H ILE A 10 -9.279 -4.852 -9.136 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.168 -6.729 -11.092 1.00 25.00 H new ATOM 0 HB ILE A 10 -10.021 -4.320 -11.226 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -11.181 -6.195 -10.200 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.769 -6.049 -11.845 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -10.469 -5.046 -13.605 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -8.764 -4.594 -13.369 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.228 -6.310 -13.435 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.445 -8.446 -11.240 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.326 -7.993 -12.548 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -9.729 -8.141 -10.878 1.00 25.00 H new ATOM 141 N CYS A 11 -6.114 -5.290 -11.553 1.00 25.00 N ATOM 142 CA CYS A 11 -4.996 -4.474 -12.022 1.00 25.00 C ATOM 143 C CYS A 11 -5.334 -3.819 -13.355 1.00 25.00 C ATOM 144 O CYS A 11 -5.549 -4.482 -14.381 1.00 25.00 O ATOM 145 CB CYS A 11 -3.771 -5.343 -12.239 1.00 25.00 C ATOM 146 SG CYS A 11 -3.141 -6.071 -10.705 1.00 25.00 S ATOM 0 H CYS A 11 -5.922 -6.291 -11.530 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.801 -3.714 -11.266 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.018 -6.141 -12.939 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.985 -4.745 -12.701 1.00 25.00 H new ATOM 151 N SER A 12 -5.274 -2.505 -13.362 1.00 25.00 N ATOM 152 CA SER A 12 -5.423 -1.755 -14.600 1.00 25.00 C ATOM 153 C SER A 12 -4.108 -1.810 -15.393 1.00 25.00 C ATOM 154 O SER A 12 -3.053 -2.021 -14.800 1.00 25.00 O ATOM 155 CB SER A 12 -5.773 -0.305 -14.250 1.00 25.00 C ATOM 156 OG SER A 12 -6.985 -0.286 -13.481 1.00 25.00 O ATOM 0 H SER A 12 -5.124 -1.932 -12.531 1.00 25.00 H new ATOM 0 HA SER A 12 -6.216 -2.184 -15.212 1.00 25.00 H new ATOM 0 HB2 SER A 12 -4.961 0.151 -13.684 1.00 25.00 H new ATOM 0 HB3 SER A 12 -5.896 0.282 -15.160 1.00 25.00 H new ATOM 0 HG SER A 12 -7.128 0.613 -13.118 1.00 25.00 H new ATOM 162 N LEU A 13 -4.168 -1.528 -16.679 1.00 25.00 N ATOM 163 CA LEU A 13 -2.944 -1.521 -17.519 1.00 25.00 C ATOM 164 C LEU A 13 -1.899 -0.538 -17.029 1.00 25.00 C ATOM 165 O LEU A 13 -0.698 -0.836 -17.004 1.00 25.00 O ATOM 166 CB LEU A 13 -3.293 -1.249 -18.973 1.00 25.00 C ATOM 167 CG LEU A 13 -2.153 -1.277 -20.031 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.443 -2.631 -20.101 1.00 25.00 C ATOM 169 CD2 LEU A 13 -2.746 -0.997 -21.403 1.00 25.00 C ATOM 0 H LEU A 13 -5.028 -1.301 -17.178 1.00 25.00 H new ATOM 0 HA LEU A 13 -2.503 -2.515 -17.437 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -4.043 -1.980 -19.275 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -3.766 -0.268 -19.022 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.424 -0.522 -19.735 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -0.658 -2.591 -20.856 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.003 -2.862 -19.131 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -2.162 -3.406 -20.366 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.954 -1.014 -22.152 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -3.488 -1.759 -21.641 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -3.222 -0.016 -21.401 1.00 25.00 H new ATOM 181 N TYR A 14 -2.341 0.649 -16.599 1.00 25.00 N ATOM 182 CA TYR A 14 -1.386 1.669 -16.165 1.00 25.00 C ATOM 183 C TYR A 14 -0.813 1.335 -14.786 1.00 25.00 C ATOM 184 O TYR A 14 0.349 1.667 -14.478 1.00 25.00 O ATOM 185 CB TYR A 14 -2.079 3.044 -16.145 1.00 25.00 C ATOM 186 CG TYR A 14 -3.454 3.058 -15.431 1.00 25.00 C ATOM 187 CD1 TYR A 14 -3.537 3.249 -14.027 1.00 25.00 C ATOM 188 CD2 TYR A 14 -4.669 2.934 -16.172 1.00 25.00 C ATOM 189 CE1 TYR A 14 -4.781 3.288 -13.376 1.00 25.00 C ATOM 190 CE2 TYR A 14 -5.933 2.970 -15.490 1.00 25.00 C ATOM 191 CZ TYR A 14 -5.960 3.148 -14.089 1.00 25.00 C ATOM 192 OH TYR A 14 -7.158 3.192 -13.427 1.00 25.00 O ATOM 0 H TYR A 14 -3.323 0.920 -16.543 1.00 25.00 H new ATOM 0 HA TYR A 14 -0.555 1.695 -16.870 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -1.421 3.762 -15.654 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -2.213 3.385 -17.172 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -2.631 3.366 -13.451 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -4.637 2.813 -17.245 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -4.819 3.429 -12.306 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -6.854 2.862 -16.043 1.00 25.00 H new ATOM 0 HH TYR A 14 -7.890 3.080 -14.068 1.00 25.00 H new ATOM 202 N GLN A 15 -1.559 0.623 -13.979 1.00 25.00 N ATOM 203 CA GLN A 15 -1.007 0.154 -12.706 1.00 25.00 C ATOM 204 C GLN A 15 0.028 -0.923 -12.920 1.00 25.00 C ATOM 205 O GLN A 15 1.047 -0.922 -12.265 1.00 25.00 O ATOM 206 CB GLN A 15 -2.082 -0.377 -11.814 1.00 25.00 C ATOM 207 CG GLN A 15 -3.132 0.710 -11.421 1.00 25.00 C ATOM 208 CD GLN A 15 -4.279 0.120 -10.653 1.00 25.00 C ATOM 209 OE1 GLN A 15 -4.715 -0.995 -10.921 1.00 25.00 O ATOM 210 NE2 GLN A 15 -4.818 0.873 -9.743 1.00 25.00 N ATOM 0 H GLN A 15 -2.526 0.354 -14.161 1.00 25.00 H new ATOM 0 HA GLN A 15 -0.536 1.014 -12.230 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -2.589 -1.202 -12.315 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -1.630 -0.783 -10.909 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -2.650 1.482 -10.820 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -3.508 1.196 -12.322 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -4.428 1.795 -9.547 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -5.631 0.543 -9.224 1.00 25.00 H new ATOM 219 N LEU A 16 -0.165 -1.726 -13.970 1.00 25.00 N ATOM 220 CA LEU A 16 0.858 -2.708 -14.324 1.00 25.00 C ATOM 221 C LEU A 16 2.111 -1.990 -14.768 1.00 25.00 C ATOM 222 O LEU A 16 3.216 -2.296 -14.324 1.00 25.00 O ATOM 223 CB LEU A 16 0.333 -3.633 -15.427 1.00 25.00 C ATOM 224 CG LEU A 16 1.207 -4.809 -15.869 1.00 25.00 C ATOM 225 CD1 LEU A 16 0.307 -5.635 -16.726 1.00 25.00 C ATOM 226 CD2 LEU A 16 2.452 -4.457 -16.690 1.00 25.00 C ATOM 0 H LEU A 16 -0.990 -1.718 -14.570 1.00 25.00 H new ATOM 0 HA LEU A 16 1.098 -3.320 -13.455 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -0.623 -4.037 -15.094 1.00 25.00 H new ATOM 0 HB3 LEU A 16 0.132 -3.020 -16.306 1.00 25.00 H new ATOM 0 HG LEU A 16 1.601 -5.293 -14.975 1.00 25.00 H new ATOM 0 HD11 LEU A 16 0.851 -6.506 -17.091 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.553 -5.963 -16.141 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.036 -5.040 -17.573 1.00 25.00 H new ATOM 0 HD21 LEU A 16 2.990 -5.370 -16.944 1.00 25.00 H new ATOM 0 HD22 LEU A 16 2.152 -3.946 -17.605 1.00 25.00 H new ATOM 0 HD23 LEU A 16 3.101 -3.804 -16.106 1.00 25.00 H new ATOM 238 N GLU A 17 1.924 -1.025 -15.649 1.00 25.00 N ATOM 239 CA GLU A 17 3.025 -0.256 -16.225 1.00 25.00 C ATOM 240 C GLU A 17 3.791 0.547 -15.172 1.00 25.00 C ATOM 241 O GLU A 17 4.968 0.827 -15.337 1.00 25.00 O ATOM 242 CB GLU A 17 2.496 0.737 -17.287 1.00 25.00 C ATOM 243 CG GLU A 17 2.417 0.093 -18.666 1.00 25.00 C ATOM 244 CD GLU A 17 2.283 1.134 -19.808 1.00 25.00 C ATOM 245 OE1 GLU A 17 3.232 1.920 -20.017 1.00 25.00 O ATOM 246 OE2 GLU A 17 1.251 1.130 -20.503 1.00 25.00 O ATOM 0 H GLU A 17 1.004 -0.747 -15.990 1.00 25.00 H new ATOM 0 HA GLU A 17 3.701 -0.984 -16.675 1.00 25.00 H new ATOM 0 HB2 GLU A 17 1.508 1.093 -16.994 1.00 25.00 H new ATOM 0 HB3 GLU A 17 3.149 1.609 -17.329 1.00 25.00 H new ATOM 0 HG2 GLU A 17 3.310 -0.509 -18.832 1.00 25.00 H new ATOM 0 HG3 GLU A 17 1.564 -0.585 -18.697 1.00 25.00 H new ATOM 253 N ASN A 18 3.120 0.881 -14.079 1.00 25.00 N ATOM 254 CA ASN A 18 3.780 1.618 -12.977 1.00 25.00 C ATOM 255 C ASN A 18 4.920 0.775 -12.402 1.00 25.00 C ATOM 256 O ASN A 18 5.926 1.335 -11.935 1.00 25.00 O ATOM 257 CB ASN A 18 2.714 1.940 -11.946 1.00 25.00 C ATOM 258 CG ASN A 18 3.135 2.979 -10.949 1.00 25.00 C ATOM 259 OD1 ASN A 18 3.945 2.726 -10.080 1.00 25.00 O ATOM 260 ND2 ASN A 18 2.495 4.134 -11.001 1.00 25.00 N ATOM 0 H ASN A 18 2.136 0.665 -13.919 1.00 25.00 H new ATOM 0 HA ASN A 18 4.229 2.549 -13.323 1.00 25.00 H new ATOM 0 HB2 ASN A 18 1.816 2.284 -12.460 1.00 25.00 H new ATOM 0 HB3 ASN A 18 2.447 1.026 -11.415 1.00 25.00 H new ATOM 0 HD21 ASN A 18 2.675 4.849 -10.296 1.00 25.00 H new ATOM 0 HD22 ASN A 18 1.821 4.311 -11.746 1.00 25.00 H new ATOM 267 N TYR A 19 4.767 -0.568 -12.441 1.00 25.00 N ATOM 268 CA TYR A 19 5.847 -1.492 -12.004 1.00 25.00 C ATOM 269 C TYR A 19 7.059 -1.437 -12.918 1.00 25.00 C ATOM 270 O TYR A 19 8.145 -1.809 -12.506 1.00 25.00 O ATOM 271 CB TYR A 19 5.336 -2.967 -11.984 1.00 25.00 C ATOM 272 CG TYR A 19 4.363 -3.386 -10.910 1.00 25.00 C ATOM 273 CD1 TYR A 19 3.000 -3.202 -11.089 1.00 25.00 C ATOM 274 CD2 TYR A 19 4.796 -3.976 -9.714 1.00 25.00 C ATOM 275 CE1 TYR A 19 2.049 -3.587 -10.109 1.00 25.00 C ATOM 276 CE2 TYR A 19 3.852 -4.387 -8.738 1.00 25.00 C ATOM 277 CZ TYR A 19 2.487 -4.155 -8.936 1.00 25.00 C ATOM 278 OH TYR A 19 1.583 -4.517 -7.963 1.00 25.00 O ATOM 0 H TYR A 19 3.920 -1.035 -12.765 1.00 25.00 H new ATOM 0 HA TYR A 19 6.136 -1.167 -11.005 1.00 25.00 H new ATOM 0 HB2 TYR A 19 4.869 -3.167 -12.948 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.208 -3.617 -11.911 1.00 25.00 H new ATOM 0 HD1 TYR A 19 2.651 -2.750 -12.006 1.00 25.00 H new ATOM 0 HD2 TYR A 19 5.852 -4.118 -9.535 1.00 25.00 H new ATOM 0 HE1 TYR A 19 0.994 -3.436 -10.282 1.00 25.00 H new ATOM 0 HE2 TYR A 19 4.189 -4.881 -7.839 1.00 25.00 H new ATOM 0 HH TYR A 19 1.417 -5.481 -8.014 1.00 25.00 H new ATOM 288 N CYS A 20 6.866 -1.106 -14.199 1.00 25.00 N ATOM 289 CA CYS A 20 7.966 -1.172 -15.183 1.00 25.00 C ATOM 290 C CYS A 20 8.719 0.160 -15.121 1.00 25.00 C ATOM 291 O CYS A 20 8.119 1.236 -15.198 1.00 25.00 O ATOM 292 CB CYS A 20 7.411 -1.478 -16.574 1.00 25.00 C ATOM 293 SG CYS A 20 6.316 -2.910 -16.517 1.00 25.00 S ATOM 0 H CYS A 20 5.973 -0.793 -14.581 1.00 25.00 H new ATOM 0 HA CYS A 20 8.662 -1.979 -14.953 1.00 25.00 H new ATOM 0 HB2 CYS A 20 6.868 -0.613 -16.954 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.232 -1.668 -17.266 1.00 25.00 H new ATOM 298 N ASN A 21 10.010 0.077 -14.865 1.00 25.00 N ATOM 299 CA ASN A 21 10.797 1.308 -14.682 1.00 25.00 C ATOM 300 C ASN A 21 11.057 1.888 -16.076 1.00 25.00 C ATOM 301 O ASN A 21 11.253 1.075 -17.017 1.00 25.00 O ATOM 302 CB ASN A 21 12.163 1.004 -14.001 1.00 25.00 C ATOM 303 CG ASN A 21 12.015 0.411 -12.629 1.00 25.00 C ATOM 304 OD1 ASN A 21 11.549 1.069 -11.736 1.00 25.00 O ATOM 305 ND2 ASN A 21 12.406 -0.815 -12.468 1.00 25.00 N ATOM 306 OXT ASN A 21 10.975 3.104 -16.214 1.00 25.00 O ATOM 0 H ASN A 21 10.534 -0.794 -14.779 1.00 25.00 H new ATOM 0 HA ASN A 21 10.250 2.004 -14.046 1.00 25.00 H new ATOM 0 HB2 ASN A 21 12.731 0.317 -14.629 1.00 25.00 H new ATOM 0 HB3 ASN A 21 12.742 1.925 -13.932 1.00 25.00 H new ATOM 0 HD21 ASN A 21 12.324 -1.261 -11.554 1.00 25.00 H new ATOM 0 HD22 ASN A 21 12.795 -1.334 -13.255 1.00 25.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 -3.085 -7.624 -23.001 1.00 25.00 N ATOM 315 CA PHE B 1 -3.227 -7.767 -21.528 1.00 25.00 C ATOM 316 C PHE B 1 -4.702 -8.036 -21.197 1.00 25.00 C ATOM 317 O PHE B 1 -5.571 -7.484 -21.876 1.00 25.00 O ATOM 318 CB PHE B 1 -2.770 -6.495 -20.847 1.00 25.00 C ATOM 319 CG PHE B 1 -2.896 -6.535 -19.368 1.00 25.00 C ATOM 320 CD1 PHE B 1 -2.303 -7.600 -18.630 1.00 25.00 C ATOM 321 CD2 PHE B 1 -3.613 -5.533 -18.646 1.00 25.00 C ATOM 322 CE1 PHE B 1 -2.445 -7.642 -17.235 1.00 25.00 C ATOM 323 CE2 PHE B 1 -3.708 -5.583 -17.294 1.00 25.00 C ATOM 324 CZ PHE B 1 -3.150 -6.634 -16.568 1.00 25.00 C ATOM 0 H1 PHE B 1 -2.366 -6.903 -23.212 1.00 25.00 H new ATOM 0 H2 PHE B 1 -2.794 -8.534 -23.412 1.00 25.00 H new ATOM 0 H3 PHE B 1 -3.996 -7.335 -23.411 1.00 25.00 H new ATOM 0 HA PHE B 1 -2.614 -8.596 -21.174 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -1.729 -6.306 -21.110 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -3.353 -5.658 -21.231 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -1.747 -8.371 -19.142 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.086 -4.725 -19.184 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.009 -8.455 -16.674 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.226 -4.793 -16.770 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.261 -6.670 -15.494 1.00 25.00 H new ATOM 336 N VAL B 2 -4.981 -8.892 -20.202 1.00 25.00 N ATOM 337 CA VAL B 2 -6.375 -9.181 -19.736 1.00 25.00 C ATOM 338 C VAL B 2 -6.446 -8.891 -18.240 1.00 25.00 C ATOM 339 O VAL B 2 -5.405 -8.813 -17.576 1.00 25.00 O ATOM 340 CB VAL B 2 -6.847 -10.679 -20.067 1.00 25.00 C ATOM 341 CG1 VAL B 2 -6.830 -10.907 -21.609 1.00 25.00 C ATOM 342 CG2 VAL B 2 -5.928 -11.740 -19.409 1.00 25.00 C ATOM 0 H VAL B 2 -4.264 -9.407 -19.692 1.00 25.00 H new ATOM 0 HA VAL B 2 -7.066 -8.536 -20.279 1.00 25.00 H new ATOM 0 HB VAL B 2 -7.854 -10.794 -19.665 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -7.151 -11.925 -21.830 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -7.508 -10.201 -22.089 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -5.819 -10.755 -21.988 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -6.286 -12.738 -19.661 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -4.909 -11.617 -19.776 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -5.941 -11.612 -18.327 1.00 25.00 H new ATOM 352 N ASN B 3 -7.669 -8.611 -17.742 1.00 25.00 N ATOM 353 CA ASN B 3 -7.913 -8.132 -16.387 1.00 25.00 C ATOM 354 C ASN B 3 -8.665 -9.167 -15.548 1.00 25.00 C ATOM 355 O ASN B 3 -9.871 -9.311 -15.684 1.00 25.00 O ATOM 356 CB ASN B 3 -8.684 -6.756 -16.471 1.00 25.00 C ATOM 357 CG ASN B 3 -9.833 -6.750 -17.447 1.00 25.00 C ATOM 358 OD1 ASN B 3 -9.641 -6.835 -18.674 1.00 25.00 O ATOM 359 ND2 ASN B 3 -11.023 -6.630 -16.928 1.00 25.00 N ATOM 0 H ASN B 3 -8.523 -8.717 -18.290 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.962 -7.975 -15.878 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -9.062 -6.503 -15.480 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -7.979 -5.974 -16.752 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -11.843 -6.603 -17.534 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -11.134 -6.564 -15.916 1.00 25.00 H new ATOM 366 N GLN B 4 -7.932 -9.867 -14.667 1.00 25.00 N ATOM 367 CA GLN B 4 -8.558 -10.909 -13.870 1.00 25.00 C ATOM 368 C GLN B 4 -7.805 -11.254 -12.572 1.00 25.00 C ATOM 369 O GLN B 4 -7.027 -12.189 -12.548 1.00 25.00 O ATOM 370 CB GLN B 4 -8.693 -12.132 -14.771 1.00 25.00 C ATOM 371 CG GLN B 4 -9.607 -13.161 -14.216 1.00 25.00 C ATOM 372 CD GLN B 4 -10.053 -14.179 -15.248 1.00 25.00 C ATOM 373 OE1 GLN B 4 -11.231 -14.344 -15.509 1.00 25.00 O ATOM 374 NE2 GLN B 4 -9.135 -14.865 -15.834 1.00 25.00 N ATOM 0 H GLN B 4 -6.935 -9.730 -14.498 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.527 -10.549 -13.525 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -9.059 -11.818 -15.749 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -7.708 -12.573 -14.926 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -9.108 -13.678 -13.397 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -10.485 -12.670 -13.796 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -8.154 -14.710 -15.600 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -9.388 -15.564 -16.533 1.00 25.00 H new ATOM 383 N HIS B 5 -8.015 -10.454 -11.543 1.00 25.00 N ATOM 384 CA HIS B 5 -7.384 -10.612 -10.189 1.00 25.00 C ATOM 385 C HIS B 5 -6.048 -11.323 -10.179 1.00 25.00 C ATOM 386 O HIS B 5 -5.945 -12.487 -9.790 1.00 25.00 O ATOM 387 CB HIS B 5 -8.365 -11.306 -9.230 1.00 25.00 C ATOM 388 CG HIS B 5 -9.199 -10.342 -8.480 1.00 25.00 C ATOM 389 ND1 HIS B 5 -10.410 -9.846 -8.902 1.00 25.00 N ATOM 390 CD2 HIS B 5 -8.966 -9.723 -7.285 1.00 25.00 C ATOM 391 CE1 HIS B 5 -10.846 -8.962 -7.970 1.00 25.00 C ATOM 392 NE2 HIS B 5 -10.027 -8.884 -6.951 1.00 25.00 N ATOM 0 H HIS B 5 -8.639 -9.649 -11.598 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.166 -9.598 -9.852 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -9.011 -11.976 -9.798 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -7.806 -11.923 -8.526 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -8.081 -9.864 -6.682 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.759 -8.391 -8.058 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -10.141 -8.331 -6.101 1.00 25.00 H new ATOM 400 N LEU B 6 -5.053 -10.684 -10.771 1.00 25.00 N ATOM 401 CA LEU B 6 -3.736 -11.322 -11.063 1.00 25.00 C ATOM 402 C LEU B 6 -2.791 -11.360 -9.875 1.00 25.00 C ATOM 403 O LEU B 6 -1.639 -10.917 -9.947 1.00 25.00 O ATOM 404 CB LEU B 6 -3.031 -10.511 -12.173 1.00 25.00 C ATOM 405 CG LEU B 6 -3.904 -10.225 -13.397 1.00 25.00 C ATOM 406 CD1 LEU B 6 -3.181 -9.211 -14.278 1.00 25.00 C ATOM 407 CD2 LEU B 6 -4.129 -11.536 -14.244 1.00 25.00 C ATOM 0 H LEU B 6 -5.113 -9.711 -11.070 1.00 25.00 H new ATOM 0 HA LEU B 6 -3.953 -12.351 -11.351 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -2.692 -9.564 -11.754 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.142 -11.054 -12.494 1.00 25.00 H new ATOM 0 HG LEU B 6 -4.869 -9.847 -13.060 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -3.788 -8.994 -15.157 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -3.016 -8.292 -13.715 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -2.221 -9.621 -14.592 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.752 -11.308 -15.109 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -3.167 -11.921 -14.582 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.624 -12.287 -13.628 1.00 25.00 H new ATOM 419 N CYS B 7 -3.298 -11.786 -8.710 1.00 25.00 N ATOM 420 CA CYS B 7 -2.469 -11.837 -7.472 1.00 25.00 C ATOM 421 C CYS B 7 -1.418 -12.932 -7.486 1.00 25.00 C ATOM 422 O CYS B 7 -1.741 -14.112 -7.431 1.00 25.00 O ATOM 423 CB CYS B 7 -3.370 -11.975 -6.236 1.00 25.00 C ATOM 424 SG CYS B 7 -2.482 -11.818 -4.658 1.00 25.00 S ATOM 0 H CYS B 7 -4.261 -12.098 -8.587 1.00 25.00 H new ATOM 0 HA CYS B 7 -1.923 -10.895 -7.430 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -4.150 -11.215 -6.280 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -3.867 -12.944 -6.267 1.00 25.00 H new ATOM 429 N GLY B 8 -0.148 -12.536 -7.480 1.00 25.00 N ATOM 430 CA GLY B 8 0.941 -13.515 -7.349 1.00 25.00 C ATOM 431 C GLY B 8 1.490 -14.038 -8.686 1.00 25.00 C ATOM 432 O GLY B 8 2.131 -13.265 -9.382 1.00 25.00 O ATOM 0 H GLY B 8 0.155 -11.565 -7.562 1.00 25.00 H new ATOM 0 HA2 GLY B 8 1.757 -13.059 -6.789 1.00 25.00 H new ATOM 0 HA3 GLY B 8 0.584 -14.361 -6.761 1.00 25.00 H new ATOM 436 N SER B 9 1.313 -15.311 -9.011 1.00 25.00 N ATOM 437 CA SER B 9 1.927 -15.900 -10.219 1.00 25.00 C ATOM 438 C SER B 9 1.447 -15.283 -11.522 1.00 25.00 C ATOM 439 O SER B 9 2.201 -15.109 -12.446 1.00 25.00 O ATOM 440 CB SER B 9 1.660 -17.419 -10.247 1.00 25.00 C ATOM 441 OG SER B 9 0.344 -17.755 -9.813 1.00 25.00 O ATOM 0 H SER B 9 0.752 -15.964 -8.464 1.00 25.00 H new ATOM 0 HA SER B 9 2.994 -15.688 -10.150 1.00 25.00 H new ATOM 0 HB2 SER B 9 1.810 -17.791 -11.260 1.00 25.00 H new ATOM 0 HB3 SER B 9 2.388 -17.923 -9.611 1.00 25.00 H new ATOM 0 HG SER B 9 0.225 -18.727 -9.851 1.00 25.00 H new ATOM 447 N HIS B 10 0.137 -15.008 -11.639 1.00 25.00 N ATOM 448 CA HIS B 10 -0.369 -14.426 -12.852 1.00 25.00 C ATOM 449 C HIS B 10 0.210 -13.021 -13.088 1.00 25.00 C ATOM 450 O HIS B 10 0.191 -12.510 -14.215 1.00 25.00 O ATOM 451 CB HIS B 10 -1.880 -14.390 -12.862 1.00 25.00 C ATOM 452 CG HIS B 10 -2.515 -15.750 -12.988 1.00 25.00 C ATOM 453 ND1 HIS B 10 -3.831 -16.017 -12.695 1.00 25.00 N ATOM 454 CD2 HIS B 10 -1.991 -16.953 -13.397 1.00 25.00 C ATOM 455 CE1 HIS B 10 -4.050 -17.319 -12.935 1.00 25.00 C ATOM 456 NE2 HIS B 10 -2.971 -17.923 -13.389 1.00 25.00 N ATOM 0 H HIS B 10 -0.561 -15.181 -10.916 1.00 25.00 H new ATOM 0 HA HIS B 10 -0.044 -15.065 -13.673 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -2.230 -13.919 -11.944 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -2.215 -13.764 -13.689 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -0.962 -17.115 -13.683 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -4.997 -17.812 -12.775 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -2.880 -18.898 -13.673 1.00 25.00 H new ATOM 464 N LEU B 11 0.729 -12.352 -12.068 1.00 25.00 N ATOM 465 CA LEU B 11 1.333 -11.030 -12.290 1.00 25.00 C ATOM 466 C LEU B 11 2.636 -11.143 -13.071 1.00 25.00 C ATOM 467 O LEU B 11 2.949 -10.338 -13.924 1.00 25.00 O ATOM 468 CB LEU B 11 1.588 -10.333 -10.953 1.00 25.00 C ATOM 469 CG LEU B 11 1.904 -8.823 -11.002 1.00 25.00 C ATOM 470 CD1 LEU B 11 0.736 -7.930 -11.509 1.00 25.00 C ATOM 471 CD2 LEU B 11 2.299 -8.319 -9.590 1.00 25.00 C ATOM 0 H LEU B 11 0.749 -12.683 -11.103 1.00 25.00 H new ATOM 0 HA LEU B 11 0.632 -10.437 -12.878 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.710 -10.476 -10.323 1.00 25.00 H new ATOM 0 HB3 LEU B 11 2.419 -10.838 -10.460 1.00 25.00 H new ATOM 0 HG LEU B 11 2.720 -8.731 -11.719 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.050 -6.886 -11.509 1.00 25.00 H new ATOM 0 HD12 LEU B 11 0.464 -8.227 -12.522 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -0.125 -8.050 -10.852 1.00 25.00 H new ATOM 0 HD21 LEU B 11 2.520 -7.253 -9.633 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.474 -8.491 -8.898 1.00 25.00 H new ATOM 0 HD23 LEU B 11 3.181 -8.859 -9.244 1.00 25.00 H new ATOM 483 N VAL B 12 3.381 -12.240 -12.852 1.00 25.00 N ATOM 484 CA VAL B 12 4.658 -12.430 -13.562 1.00 25.00 C ATOM 485 C VAL B 12 4.422 -12.511 -15.046 1.00 25.00 C ATOM 486 O VAL B 12 5.103 -11.834 -15.844 1.00 25.00 O ATOM 487 CB VAL B 12 5.382 -13.719 -13.027 1.00 25.00 C ATOM 488 CG1 VAL B 12 6.767 -13.835 -13.665 1.00 25.00 C ATOM 489 CG2 VAL B 12 5.472 -13.702 -11.457 1.00 25.00 C ATOM 0 H VAL B 12 3.131 -12.990 -12.208 1.00 25.00 H new ATOM 0 HA VAL B 12 5.305 -11.574 -13.373 1.00 25.00 H new ATOM 0 HB VAL B 12 4.798 -14.596 -13.307 1.00 25.00 H new ATOM 0 HG11 VAL B 12 7.266 -14.729 -13.292 1.00 25.00 H new ATOM 0 HG12 VAL B 12 6.664 -13.902 -14.748 1.00 25.00 H new ATOM 0 HG13 VAL B 12 7.360 -12.956 -13.410 1.00 25.00 H new ATOM 0 HG21 VAL B 12 5.977 -14.604 -11.112 1.00 25.00 H new ATOM 0 HG22 VAL B 12 6.034 -12.826 -11.134 1.00 25.00 H new ATOM 0 HG23 VAL B 12 4.468 -13.664 -11.035 1.00 25.00 H new ATOM 499 N GLU B 13 3.404 -13.276 -15.420 1.00 25.00 N ATOM 500 CA GLU B 13 3.046 -13.416 -16.823 1.00 25.00 C ATOM 501 C GLU B 13 2.522 -12.071 -17.378 1.00 25.00 C ATOM 502 O GLU B 13 2.788 -11.699 -18.542 1.00 25.00 O ATOM 503 CB GLU B 13 1.969 -14.492 -17.039 1.00 25.00 C ATOM 504 CG GLU B 13 2.387 -15.871 -16.537 1.00 25.00 C ATOM 505 CD GLU B 13 1.336 -16.981 -16.801 1.00 25.00 C ATOM 506 OE1 GLU B 13 0.162 -16.605 -16.881 1.00 25.00 O ATOM 507 OE2 GLU B 13 1.664 -18.159 -16.921 1.00 25.00 O ATOM 0 H GLU B 13 2.816 -13.805 -14.776 1.00 25.00 H new ATOM 0 HA GLU B 13 3.949 -13.719 -17.353 1.00 25.00 H new ATOM 0 HB2 GLU B 13 1.055 -14.189 -16.529 1.00 25.00 H new ATOM 0 HB3 GLU B 13 1.736 -14.555 -18.102 1.00 25.00 H new ATOM 0 HG2 GLU B 13 3.325 -16.152 -17.015 1.00 25.00 H new ATOM 0 HG3 GLU B 13 2.580 -15.814 -15.466 1.00 25.00 H new ATOM 514 N ALA B 14 1.807 -11.317 -16.528 1.00 25.00 N ATOM 515 CA ALA B 14 1.269 -10.020 -16.930 1.00 25.00 C ATOM 516 C ALA B 14 2.412 -9.063 -17.317 1.00 25.00 C ATOM 517 O ALA B 14 2.368 -8.432 -18.372 1.00 25.00 O ATOM 518 CB ALA B 14 0.437 -9.419 -15.832 1.00 25.00 C ATOM 0 H ALA B 14 1.593 -11.585 -15.568 1.00 25.00 H new ATOM 0 HA ALA B 14 0.628 -10.173 -17.798 1.00 25.00 H new ATOM 0 HB1 ALA B 14 0.048 -8.454 -16.157 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -0.394 -10.085 -15.599 1.00 25.00 H new ATOM 0 HB3 ALA B 14 1.052 -9.282 -14.943 1.00 25.00 H new ATOM 524 N LEU B 15 3.451 -9.020 -16.469 1.00 25.00 N ATOM 525 CA LEU B 15 4.625 -8.168 -16.711 1.00 25.00 C ATOM 526 C LEU B 15 5.305 -8.661 -17.976 1.00 25.00 C ATOM 527 O LEU B 15 5.693 -7.885 -18.811 1.00 25.00 O ATOM 528 CB LEU B 15 5.569 -8.207 -15.469 1.00 25.00 C ATOM 529 CG LEU B 15 4.986 -7.559 -14.184 1.00 25.00 C ATOM 530 CD1 LEU B 15 5.667 -8.058 -12.867 1.00 25.00 C ATOM 531 CD2 LEU B 15 5.063 -6.069 -14.275 1.00 25.00 C ATOM 0 H LEU B 15 3.502 -9.566 -15.609 1.00 25.00 H new ATOM 0 HA LEU B 15 4.340 -7.126 -16.854 1.00 25.00 H new ATOM 0 HB2 LEU B 15 5.819 -9.246 -15.253 1.00 25.00 H new ATOM 0 HB3 LEU B 15 6.501 -7.701 -15.723 1.00 25.00 H new ATOM 0 HG LEU B 15 3.944 -7.874 -14.128 1.00 25.00 H new ATOM 0 HD11 LEU B 15 5.209 -7.563 -12.011 1.00 25.00 H new ATOM 0 HD12 LEU B 15 5.536 -9.136 -12.776 1.00 25.00 H new ATOM 0 HD13 LEU B 15 6.731 -7.823 -12.896 1.00 25.00 H new ATOM 0 HD21 LEU B 15 4.651 -5.627 -13.368 1.00 25.00 H new ATOM 0 HD22 LEU B 15 6.104 -5.765 -14.387 1.00 25.00 H new ATOM 0 HD23 LEU B 15 4.491 -5.727 -15.137 1.00 25.00 H new ATOM 543 N TYR B 16 5.405 -9.971 -18.146 1.00 25.00 N ATOM 544 CA TYR B 16 6.087 -10.617 -19.304 1.00 25.00 C ATOM 545 C TYR B 16 5.389 -10.229 -20.625 1.00 25.00 C ATOM 546 O TYR B 16 6.033 -9.945 -21.602 1.00 25.00 O ATOM 547 CB TYR B 16 6.078 -12.134 -19.102 1.00 25.00 C ATOM 548 CG TYR B 16 7.010 -12.882 -20.053 1.00 25.00 C ATOM 549 CD1 TYR B 16 8.397 -12.570 -20.069 1.00 25.00 C ATOM 550 CD2 TYR B 16 6.533 -13.878 -20.928 1.00 25.00 C ATOM 551 CE1 TYR B 16 9.280 -13.221 -20.942 1.00 25.00 C ATOM 552 CE2 TYR B 16 7.428 -14.559 -21.777 1.00 25.00 C ATOM 553 CZ TYR B 16 8.796 -14.207 -21.801 1.00 25.00 C ATOM 554 OH TYR B 16 9.645 -14.826 -22.679 1.00 25.00 O ATOM 0 H TYR B 16 5.015 -10.642 -17.484 1.00 25.00 H new ATOM 0 HA TYR B 16 7.119 -10.271 -19.364 1.00 25.00 H new ATOM 0 HB2 TYR B 16 6.365 -12.357 -18.075 1.00 25.00 H new ATOM 0 HB3 TYR B 16 5.062 -12.504 -19.236 1.00 25.00 H new ATOM 0 HD1 TYR B 16 8.778 -11.817 -19.395 1.00 25.00 H new ATOM 0 HD2 TYR B 16 5.481 -14.120 -20.948 1.00 25.00 H new ATOM 0 HE1 TYR B 16 10.328 -12.961 -20.949 1.00 25.00 H new ATOM 0 HE2 TYR B 16 7.066 -15.354 -22.412 1.00 25.00 H new ATOM 0 HH TYR B 16 9.148 -15.488 -23.203 1.00 25.00 H new ATOM 564 N LEU B 17 4.071 -10.245 -20.608 1.00 25.00 N ATOM 565 CA LEU B 17 3.306 -9.901 -21.786 1.00 25.00 C ATOM 566 C LEU B 17 3.363 -8.410 -22.102 1.00 25.00 C ATOM 567 O LEU B 17 3.370 -8.039 -23.244 1.00 25.00 O ATOM 568 CB LEU B 17 1.848 -10.239 -21.557 1.00 25.00 C ATOM 569 CG LEU B 17 1.610 -11.749 -21.626 1.00 25.00 C ATOM 570 CD1 LEU B 17 0.188 -12.006 -21.091 1.00 25.00 C ATOM 571 CD2 LEU B 17 1.734 -12.337 -23.041 1.00 25.00 C ATOM 0 H LEU B 17 3.510 -10.492 -19.793 1.00 25.00 H new ATOM 0 HA LEU B 17 3.738 -10.464 -22.613 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.534 -9.863 -20.583 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.234 -9.737 -22.305 1.00 25.00 H new ATOM 0 HG LEU B 17 2.381 -12.240 -21.033 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -0.025 -13.075 -21.122 1.00 25.00 H new ATOM 0 HD12 LEU B 17 0.117 -11.652 -20.063 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.535 -11.474 -21.709 1.00 25.00 H new ATOM 0 HD21 LEU B 17 1.552 -13.411 -23.006 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.002 -11.866 -23.696 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.737 -12.152 -23.425 1.00 25.00 H new ATOM 583 N VAL B 18 3.340 -7.569 -21.079 1.00 25.00 N ATOM 584 CA VAL B 18 3.280 -6.130 -21.305 1.00 25.00 C ATOM 585 C VAL B 18 4.684 -5.466 -21.425 1.00 25.00 C ATOM 586 O VAL B 18 4.965 -4.848 -22.429 1.00 25.00 O ATOM 587 CB VAL B 18 2.415 -5.451 -20.209 1.00 25.00 C ATOM 588 CG1 VAL B 18 2.388 -3.895 -20.404 1.00 25.00 C ATOM 589 CG2 VAL B 18 0.973 -5.978 -20.257 1.00 25.00 C ATOM 0 H VAL B 18 3.361 -7.850 -20.099 1.00 25.00 H new ATOM 0 HA VAL B 18 2.804 -5.977 -22.274 1.00 25.00 H new ATOM 0 HB VAL B 18 2.862 -5.688 -19.244 1.00 25.00 H new ATOM 0 HG11 VAL B 18 1.776 -3.441 -19.625 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.403 -3.503 -20.343 1.00 25.00 H new ATOM 0 HG13 VAL B 18 1.966 -3.658 -21.381 1.00 25.00 H new ATOM 0 HG21 VAL B 18 0.382 -5.491 -19.482 1.00 25.00 H new ATOM 0 HG22 VAL B 18 0.539 -5.763 -21.233 1.00 25.00 H new ATOM 0 HG23 VAL B 18 0.974 -7.055 -20.090 1.00 25.00 H new ATOM 599 N CYS B 19 5.545 -5.615 -20.435 1.00 25.00 N ATOM 600 CA CYS B 19 6.826 -4.929 -20.430 1.00 25.00 C ATOM 601 C CYS B 19 7.995 -5.841 -20.806 1.00 25.00 C ATOM 602 O CYS B 19 9.145 -5.382 -21.035 1.00 25.00 O ATOM 603 CB CYS B 19 7.071 -4.390 -19.030 1.00 25.00 C ATOM 604 SG CYS B 19 5.739 -3.286 -18.445 1.00 25.00 S ATOM 0 H CYS B 19 5.380 -6.207 -19.621 1.00 25.00 H new ATOM 0 HA CYS B 19 6.777 -4.136 -21.176 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.172 -5.226 -18.338 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.017 -3.848 -19.016 1.00 25.00 H new ATOM 609 N GLY B 20 7.682 -7.129 -20.841 1.00 25.00 N ATOM 610 CA GLY B 20 8.705 -8.125 -21.044 1.00 25.00 C ATOM 611 C GLY B 20 9.750 -8.147 -19.961 1.00 25.00 C ATOM 612 O GLY B 20 9.489 -7.667 -18.835 1.00 25.00 O ATOM 0 H GLY B 20 6.737 -7.498 -20.732 1.00 25.00 H new ATOM 0 HA2 GLY B 20 8.237 -9.107 -21.105 1.00 25.00 H new ATOM 0 HA3 GLY B 20 9.191 -7.944 -22.003 1.00 25.00 H new ATOM 616 N GLU B 21 10.943 -8.619 -20.303 1.00 25.00 N ATOM 617 CA GLU B 21 12.044 -8.700 -19.340 1.00 25.00 C ATOM 618 C GLU B 21 12.518 -7.350 -18.859 1.00 25.00 C ATOM 619 O GLU B 21 13.256 -7.285 -17.869 1.00 25.00 O ATOM 620 CB GLU B 21 13.177 -9.493 -20.020 1.00 25.00 C ATOM 621 CG GLU B 21 14.201 -10.145 -19.009 1.00 25.00 C ATOM 622 CD GLU B 21 15.053 -11.211 -19.673 1.00 25.00 C ATOM 623 OE1 GLU B 21 15.217 -11.143 -20.917 1.00 25.00 O ATOM 624 OE2 GLU B 21 15.491 -12.132 -18.973 1.00 25.00 O ATOM 0 H GLU B 21 11.176 -8.952 -21.238 1.00 25.00 H new ATOM 0 HA GLU B 21 11.699 -9.204 -18.437 1.00 25.00 H new ATOM 0 HB2 GLU B 21 12.738 -10.279 -20.634 1.00 25.00 H new ATOM 0 HB3 GLU B 21 13.719 -8.828 -20.692 1.00 25.00 H new ATOM 0 HG2 GLU B 21 14.847 -9.370 -18.596 1.00 25.00 H new ATOM 0 HG3 GLU B 21 13.656 -10.584 -18.174 1.00 25.00 H new ATOM 631 N ARG B 22 12.087 -6.283 -19.523 1.00 25.00 N ATOM 632 CA ARG B 22 12.565 -4.943 -19.155 1.00 25.00 C ATOM 633 C ARG B 22 11.746 -4.366 -17.974 1.00 25.00 C ATOM 634 O ARG B 22 12.076 -3.294 -17.499 1.00 25.00 O ATOM 635 CB ARG B 22 12.450 -3.974 -20.375 1.00 25.00 C ATOM 636 CG ARG B 22 13.337 -4.308 -21.575 1.00 25.00 C ATOM 637 CD ARG B 22 13.460 -3.151 -22.615 1.00 25.00 C ATOM 638 NE ARG B 22 12.191 -2.822 -23.265 1.00 25.00 N ATOM 639 CZ ARG B 22 12.019 -2.037 -24.337 1.00 25.00 C ATOM 640 NH1 ARG B 22 13.035 -1.436 -24.942 1.00 25.00 N ATOM 641 NH2 ARG B 22 10.832 -1.866 -24.837 1.00 25.00 N ATOM 0 H ARG B 22 11.426 -6.309 -20.299 1.00 25.00 H new ATOM 0 HA ARG B 22 13.608 -5.034 -18.853 1.00 25.00 H new ATOM 0 HB2 ARG B 22 11.412 -3.960 -20.707 1.00 25.00 H new ATOM 0 HB3 ARG B 22 12.691 -2.966 -20.038 1.00 25.00 H new ATOM 0 HG2 ARG B 22 14.333 -4.568 -21.216 1.00 25.00 H new ATOM 0 HG3 ARG B 22 12.938 -5.191 -22.074 1.00 25.00 H new ATOM 0 HD2 ARG B 22 13.846 -2.262 -22.116 1.00 25.00 H new ATOM 0 HD3 ARG B 22 14.188 -3.431 -23.376 1.00 25.00 H new ATOM 0 HE ARG B 22 11.350 -3.233 -22.860 1.00 25.00 H new ATOM 0 HH11 ARG B 22 13.985 -1.565 -24.593 1.00 25.00 H new ATOM 0 HH12 ARG B 22 12.866 -0.845 -25.756 1.00 25.00 H new ATOM 0 HH21 ARG B 22 10.028 -2.330 -24.413 1.00 25.00 H new ATOM 0 HH22 ARG B 22 10.704 -1.268 -25.653 1.00 25.00 H new ATOM 655 N GLY B 23 10.712 -5.064 -17.552 1.00 25.00 N ATOM 656 CA GLY B 23 9.890 -4.612 -16.427 1.00 25.00 C ATOM 657 C GLY B 23 10.111 -5.325 -15.123 1.00 25.00 C ATOM 658 O GLY B 23 9.694 -4.842 -14.083 1.00 25.00 O ATOM 0 H GLY B 23 10.413 -5.948 -17.965 1.00 25.00 H new ATOM 0 HA2 GLY B 23 10.073 -3.549 -16.273 1.00 25.00 H new ATOM 0 HA3 GLY B 23 8.841 -4.718 -16.703 1.00 25.00 H new ATOM 662 N PHE B 24 10.744 -6.501 -15.140 1.00 25.00 N ATOM 663 CA PHE B 24 10.936 -7.307 -13.880 1.00 25.00 C ATOM 664 C PHE B 24 12.140 -8.326 -13.950 1.00 25.00 C ATOM 665 O PHE B 24 12.611 -8.651 -15.038 1.00 25.00 O ATOM 666 CB PHE B 24 9.652 -8.083 -13.526 1.00 25.00 C ATOM 667 CG PHE B 24 9.377 -9.245 -14.437 1.00 25.00 C ATOM 668 CD1 PHE B 24 8.835 -9.034 -15.710 1.00 25.00 C ATOM 669 CD2 PHE B 24 9.698 -10.563 -14.050 1.00 25.00 C ATOM 670 CE1 PHE B 24 8.604 -10.134 -16.606 1.00 25.00 C ATOM 671 CE2 PHE B 24 9.470 -11.636 -14.911 1.00 25.00 C ATOM 672 CZ PHE B 24 8.909 -11.424 -16.200 1.00 25.00 C ATOM 0 H PHE B 24 11.133 -6.929 -15.980 1.00 25.00 H new ATOM 0 HA PHE B 24 11.171 -6.576 -13.106 1.00 25.00 H new ATOM 0 HB2 PHE B 24 9.729 -8.447 -12.501 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.804 -7.399 -13.559 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.587 -8.031 -16.023 1.00 25.00 H new ATOM 0 HD2 PHE B 24 10.126 -10.743 -13.075 1.00 25.00 H new ATOM 0 HE1 PHE B 24 8.195 -9.957 -17.590 1.00 25.00 H new ATOM 0 HE2 PHE B 24 9.722 -12.638 -14.596 1.00 25.00 H new ATOM 0 HZ PHE B 24 8.722 -12.260 -16.857 1.00 25.00 H new ATOM 682 N PHE B 25 12.587 -8.851 -12.805 1.00 25.00 N ATOM 683 CA PHE B 25 13.691 -9.833 -12.768 1.00 25.00 C ATOM 684 C PHE B 25 13.259 -11.090 -12.008 1.00 25.00 C ATOM 685 O PHE B 25 13.154 -11.081 -10.811 1.00 25.00 O ATOM 686 CB PHE B 25 14.916 -9.208 -12.077 1.00 25.00 C ATOM 687 CG PHE B 25 16.190 -9.904 -12.392 1.00 25.00 C ATOM 688 CD1 PHE B 25 16.352 -11.287 -12.126 1.00 25.00 C ATOM 689 CD2 PHE B 25 17.267 -9.200 -12.978 1.00 25.00 C ATOM 690 CE1 PHE B 25 17.568 -11.957 -12.467 1.00 25.00 C ATOM 691 CE2 PHE B 25 18.454 -9.841 -13.299 1.00 25.00 C ATOM 692 CZ PHE B 25 18.638 -11.231 -13.065 1.00 25.00 C ATOM 0 H PHE B 25 12.206 -8.617 -11.888 1.00 25.00 H new ATOM 0 HA PHE B 25 13.950 -10.110 -13.790 1.00 25.00 H new ATOM 0 HB2 PHE B 25 14.998 -8.163 -12.375 1.00 25.00 H new ATOM 0 HB3 PHE B 25 14.761 -9.220 -10.998 1.00 25.00 H new ATOM 0 HD1 PHE B 25 15.549 -11.840 -11.661 1.00 25.00 H new ATOM 0 HD2 PHE B 25 17.163 -8.144 -13.179 1.00 25.00 H new ATOM 0 HE1 PHE B 25 17.675 -13.014 -12.271 1.00 25.00 H new ATOM 0 HE2 PHE B 25 19.259 -9.270 -13.738 1.00 25.00 H new ATOM 0 HZ PHE B 25 19.562 -11.722 -13.333 1.00 25.00 H new HETATM 702 N NVA B 26 13.017 -12.204 -12.711 1.00 25.00 N HETATM 703 CA NVA B 26 12.620 -13.522 -12.202 1.00 25.00 C HETATM 704 CB NVA B 26 11.105 -13.879 -12.471 1.00 25.00 C HETATM 705 CG NVA B 26 10.622 -15.296 -11.898 1.00 25.00 C HETATM 706 CD NVA B 26 10.582 -15.457 -10.352 1.00 25.00 C HETATM 707 C NVA B 26 13.555 -14.599 -12.722 1.00 25.00 C HETATM 708 O NVA B 26 13.571 -14.880 -13.911 1.00 25.00 O HETATM 0 HG3 NVA B 26 9.623 -15.495 -12.285 1.00 25.00 H new HETATM 0 HG2 NVA B 26 11.279 -16.066 -12.302 1.00 25.00 H new HETATM 0 HD3 NVA B 26 11.581 -15.302 -9.944 1.00 25.00 H new HETATM 0 HD2 NVA B 26 9.899 -14.722 -9.927 1.00 25.00 H new HETATM 0 HB3 NVA B 26 10.482 -13.098 -12.035 1.00 25.00 H new HETATM 0 HB2 NVA B 26 10.931 -13.862 -13.547 1.00 25.00 H new HETATM 0 HA NVA B 26 12.712 -13.475 -11.117 1.00 25.00 H new ATOM 717 N THR B 27 14.293 -15.206 -11.788 1.00 25.00 N ATOM 718 CA THR B 27 15.174 -16.341 -12.064 1.00 25.00 C ATOM 719 C THR B 27 14.367 -17.571 -12.408 1.00 25.00 C ATOM 720 O THR B 27 13.179 -17.648 -12.081 1.00 25.00 O ATOM 721 CB THR B 27 15.949 -16.724 -10.813 1.00 25.00 C ATOM 722 OG1 THR B 27 15.048 -16.952 -9.765 1.00 25.00 O ATOM 723 CG2 THR B 27 16.885 -15.595 -10.425 1.00 25.00 C ATOM 0 H THR B 27 14.294 -14.919 -10.809 1.00 25.00 H new ATOM 0 HA THR B 27 15.828 -16.038 -12.882 1.00 25.00 H new ATOM 0 HB THR B 27 16.529 -17.626 -11.009 1.00 25.00 H new ATOM 0 HG1 THR B 27 15.543 -17.201 -8.957 1.00 25.00 H new ATOM 0 HG21 THR B 27 17.439 -15.873 -9.528 1.00 25.00 H new ATOM 0 HG22 THR B 27 17.585 -15.406 -11.239 1.00 25.00 H new ATOM 0 HG23 THR B 27 16.305 -14.693 -10.228 1.00 25.00 H new ATOM 731 N PRO B 28 14.955 -18.571 -13.094 1.00 25.00 N ATOM 732 CA PRO B 28 14.127 -19.754 -13.373 1.00 25.00 C ATOM 733 C PRO B 28 13.808 -20.610 -12.125 1.00 25.00 C ATOM 734 O PRO B 28 14.632 -21.325 -11.569 1.00 25.00 O ATOM 735 CB PRO B 28 14.980 -20.556 -14.356 1.00 25.00 C ATOM 736 CG PRO B 28 16.383 -20.195 -14.005 1.00 25.00 C ATOM 737 CD PRO B 28 16.325 -18.739 -13.605 1.00 25.00 C ATOM 0 HA PRO B 28 13.148 -19.461 -13.752 1.00 25.00 H new ATOM 0 HB2 PRO B 28 14.807 -21.627 -14.251 1.00 25.00 H new ATOM 0 HB3 PRO B 28 14.748 -20.295 -15.389 1.00 25.00 H new ATOM 0 HG2 PRO B 28 16.757 -20.814 -13.189 1.00 25.00 H new ATOM 0 HG3 PRO B 28 17.053 -20.345 -14.852 1.00 25.00 H new ATOM 0 HD2 PRO B 28 17.068 -18.503 -12.843 1.00 25.00 H new ATOM 0 HD3 PRO B 28 16.519 -18.083 -14.453 1.00 25.00 H new HETATM 745 N HIX B 29 12.518 -20.499 -11.713 1.00 25.00 N HETATM 746 CA HIX B 29 11.935 -21.208 -10.557 1.00 25.00 C HETATM 747 C HIX B 29 11.667 -22.719 -10.845 1.00 25.00 C HETATM 748 O HIX B 29 10.771 -23.124 -11.543 1.00 25.00 O HETATM 749 CB HIX B 29 10.617 -20.505 -10.061 1.00 25.00 C HETATM 750 CG HIX B 29 10.801 -19.002 -9.763 1.00 25.00 C HETATM 751 CD2 HIX B 29 10.445 -18.020 -10.516 1.00 25.00 C HETATM 752 ND1 HIX B 29 11.368 -18.490 -8.658 1.00 25.00 N HETATM 753 NE1 HIX B 29 11.201 -17.078 -8.565 1.00 25.00 N HETATM 754 NE2 HIX B 29 10.736 -16.860 -9.903 1.00 25.00 N ATOM 762 N THR B 30 12.517 -23.536 -10.186 1.00 25.00 N ATOM 763 CA THR B 30 12.554 -24.973 -10.292 1.00 25.00 C ATOM 764 C THR B 30 12.498 -25.604 -8.925 1.00 25.00 C ATOM 765 O THR B 30 12.559 -24.841 -7.932 1.00 25.00 O ATOM 766 CB THR B 30 13.831 -25.363 -10.972 1.00 25.00 C ATOM 767 OG1 THR B 30 14.953 -24.820 -10.258 1.00 25.00 O ATOM 768 CG2 THR B 30 13.868 -24.859 -12.413 1.00 25.00 C ATOM 769 OXT THR B 30 12.353 -26.817 -8.849 1.00 25.00 O ATOM 0 H THR B 30 13.220 -23.174 -9.541 1.00 25.00 H new ATOM 0 HA THR B 30 11.694 -25.319 -10.866 1.00 25.00 H new ATOM 0 HB THR B 30 13.884 -26.452 -10.980 1.00 25.00 H new ATOM 0 HG1 THR B 30 15.784 -25.081 -10.707 1.00 25.00 H new ATOM 0 HG21 THR B 30 14.807 -25.158 -12.879 1.00 25.00 H new ATOM 0 HG22 THR B 30 13.034 -25.287 -12.970 1.00 25.00 H new ATOM 0 HG23 THR B 30 13.789 -23.772 -12.420 1.00 25.00 H new TER 777 THR B 30