USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 378 hydrogens (6 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 21 DGL HE2 : B 21 DGL OE2 : B 21 DGL CD :(short bond) USER MOD NoAdj-H: B 21 DGL H2 : B 21 DGL N : B 20 GLY C :(H bumps) USER MOD NoAdj-H: B 21 DGL H : B 21 DGL N : B 20 GLY C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -2.58! C(o=-2.6!,f=-2.2!) USER MOD Single : A 8 THR OG1 : rot -49:sc= 0.0989 USER MOD Single : A 9 SER OG : rot 12:sc= 0.35 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.364 K(o=-0.36,f=-3.7!) USER MOD Single : A 18 ASN : amide:sc= -0.693 K(o=-0.69,f=-4.5!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.58 K(o=0.58,f=-0.65) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.19) USER MOD Single : B 4 GLN : amide:sc= -0.0648 K(o=-0.065,f=-1.4!) USER MOD Single : B 5 HIS : no HD1:sc= -10.4! C(o=-10!,f=-11!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.132 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -120:sc= 0.0896 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0402 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 57:sc= 0.0961 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.807 3.253 1.099 1.00 0.00 N ATOM 2 CA GLY A 1 -8.043 4.523 0.723 1.00 0.00 C ATOM 3 C GLY A 1 -6.567 4.459 0.536 1.00 0.00 C ATOM 4 O GLY A 1 -5.851 5.392 0.839 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.820 3.471 1.190 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.673 2.535 0.359 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.449 2.888 2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.474 4.902 -0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.243 5.266 1.495 1.00 0.00 H new ATOM 10 N ILE A 2 -6.070 3.361 0.036 1.00 0.00 N ATOM 11 CA ILE A 2 -4.601 3.236 -0.174 1.00 0.00 C ATOM 12 C ILE A 2 -4.216 3.891 -1.503 1.00 0.00 C ATOM 13 O ILE A 2 -3.052 3.997 -1.838 1.00 0.00 O ATOM 14 CB ILE A 2 -4.213 1.755 -0.200 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.786 1.610 -0.738 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.177 0.989 -1.107 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.139 0.360 -0.141 1.00 0.00 C ATOM 0 H ILE A 2 -6.618 2.545 -0.236 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.074 3.734 0.640 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.265 1.350 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.802 1.540 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.199 2.493 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.900 -0.065 -1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.193 1.091 -0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.126 1.395 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.124 0.257 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.110 0.449 0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.722 -0.519 -0.418 1.00 0.00 H new ATOM 29 N VAL A 3 -5.180 4.326 -2.266 1.00 0.00 N ATOM 30 CA VAL A 3 -4.866 4.964 -3.572 1.00 0.00 C ATOM 31 C VAL A 3 -4.388 6.401 -3.352 1.00 0.00 C ATOM 32 O VAL A 3 -3.208 6.668 -3.379 1.00 0.00 O ATOM 33 CB VAL A 3 -6.114 4.955 -4.452 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.720 5.231 -5.902 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.773 3.582 -4.354 1.00 0.00 C ATOM 0 H VAL A 3 -6.173 4.266 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.072 4.405 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.809 5.726 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.612 5.224 -6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.237 6.206 -5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.030 4.460 -6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.666 3.562 -4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.075 2.818 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.050 3.384 -3.318 1.00 0.00 H new ATOM 45 N GLU A 4 -5.282 7.329 -3.138 1.00 0.00 N ATOM 46 CA GLU A 4 -4.848 8.741 -2.927 1.00 0.00 C ATOM 47 C GLU A 4 -3.650 8.776 -1.981 1.00 0.00 C ATOM 48 O GLU A 4 -2.624 9.344 -2.293 1.00 0.00 O ATOM 49 CB GLU A 4 -6.001 9.547 -2.327 1.00 0.00 C ATOM 50 CG GLU A 4 -6.691 10.352 -3.431 1.00 0.00 C ATOM 51 CD GLU A 4 -7.153 11.697 -2.869 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.003 11.691 -1.994 1.00 0.00 O ATOM 53 OE2 GLU A 4 -6.650 12.711 -3.325 1.00 0.00 O ATOM 0 H GLU A 4 -6.289 7.172 -3.100 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.562 9.177 -3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.716 8.878 -1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.626 10.217 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.005 10.510 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.544 9.797 -3.822 1.00 0.00 H new ATOM 60 N GLN A 5 -3.761 8.174 -0.833 1.00 0.00 N ATOM 61 CA GLN A 5 -2.609 8.188 0.105 1.00 0.00 C ATOM 62 C GLN A 5 -1.356 7.739 -0.647 1.00 0.00 C ATOM 63 O GLN A 5 -0.250 8.116 -0.310 1.00 0.00 O ATOM 64 CB GLN A 5 -2.880 7.243 1.282 1.00 0.00 C ATOM 65 CG GLN A 5 -2.733 5.786 0.834 1.00 0.00 C ATOM 66 CD GLN A 5 -2.663 4.884 2.069 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.915 3.926 2.094 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.415 5.151 3.101 1.00 0.00 N ATOM 0 H GLN A 5 -4.590 7.678 -0.506 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.464 9.195 0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.185 7.453 2.094 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.884 7.412 1.670 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.577 5.499 0.207 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.833 5.668 0.231 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.043 5.955 3.080 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.375 4.556 3.929 1.00 0.00 H new ATOM 77 N CYS A 6 -1.517 6.933 -1.666 1.00 0.00 N ATOM 78 CA CYS A 6 -0.327 6.464 -2.432 1.00 0.00 C ATOM 79 C CYS A 6 -0.247 7.184 -3.785 1.00 0.00 C ATOM 80 O CYS A 6 0.777 7.170 -4.439 1.00 0.00 O ATOM 81 CB CYS A 6 -0.432 4.956 -2.657 1.00 0.00 C ATOM 82 SG CYS A 6 -0.333 4.101 -1.065 1.00 0.00 S ATOM 0 H CYS A 6 -2.416 6.582 -1.998 1.00 0.00 H new ATOM 0 HA CYS A 6 0.575 6.689 -1.862 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.372 4.716 -3.153 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.370 4.619 -3.314 1.00 0.00 H new ATOM 87 N CYS A 7 -1.311 7.812 -4.214 1.00 0.00 N ATOM 88 CA CYS A 7 -1.277 8.523 -5.523 1.00 0.00 C ATOM 89 C CYS A 7 -1.115 10.020 -5.272 1.00 0.00 C ATOM 90 O CYS A 7 -0.663 10.759 -6.124 1.00 0.00 O ATOM 91 CB CYS A 7 -2.582 8.270 -6.281 1.00 0.00 C ATOM 92 SG CYS A 7 -2.495 9.055 -7.910 1.00 0.00 S ATOM 0 H CYS A 7 -2.199 7.862 -3.715 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.441 8.156 -6.118 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.750 7.199 -6.390 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.426 8.669 -5.718 1.00 0.00 H new ATOM 97 N THR A 8 -1.473 10.468 -4.103 1.00 0.00 N ATOM 98 CA THR A 8 -1.335 11.913 -3.783 1.00 0.00 C ATOM 99 C THR A 8 0.066 12.163 -3.217 1.00 0.00 C ATOM 100 O THR A 8 0.334 13.183 -2.614 1.00 0.00 O ATOM 101 CB THR A 8 -2.402 12.306 -2.755 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.557 13.718 -2.752 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.979 11.835 -1.363 1.00 0.00 C ATOM 0 H THR A 8 -1.857 9.893 -3.353 1.00 0.00 H new ATOM 0 HA THR A 8 -1.472 12.515 -4.681 1.00 0.00 H new ATOM 0 HB THR A 8 -3.349 11.835 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.677 14.144 -2.688 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.741 12.117 -0.636 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.863 10.751 -1.365 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.031 12.301 -1.094 1.00 0.00 H new ATOM 111 N SER A 9 0.960 11.231 -3.410 1.00 0.00 N ATOM 112 CA SER A 9 2.346 11.392 -2.892 1.00 0.00 C ATOM 113 C SER A 9 3.153 10.136 -3.228 1.00 0.00 C ATOM 114 O SER A 9 2.829 9.409 -4.146 1.00 0.00 O ATOM 115 CB SER A 9 2.306 11.583 -1.375 1.00 0.00 C ATOM 116 OG SER A 9 3.565 12.071 -0.929 1.00 0.00 O ATOM 0 H SER A 9 0.786 10.358 -3.909 1.00 0.00 H new ATOM 0 HA SER A 9 2.812 12.263 -3.352 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.516 12.284 -1.106 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.075 10.638 -0.884 1.00 0.00 H new ATOM 0 HG SER A 9 4.099 12.351 -1.701 1.00 0.00 H new ATOM 122 N ILE A 10 4.197 9.870 -2.493 1.00 0.00 N ATOM 123 CA ILE A 10 5.015 8.657 -2.774 1.00 0.00 C ATOM 124 C ILE A 10 4.684 7.575 -1.743 1.00 0.00 C ATOM 125 O ILE A 10 4.831 7.775 -0.554 1.00 0.00 O ATOM 126 CB ILE A 10 6.501 9.014 -2.690 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.902 9.809 -3.936 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.338 7.736 -2.614 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.279 11.234 -3.533 1.00 0.00 C ATOM 0 H ILE A 10 4.519 10.440 -1.711 1.00 0.00 H new ATOM 0 HA ILE A 10 4.791 8.286 -3.774 1.00 0.00 H new ATOM 0 HB ILE A 10 6.677 9.613 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.743 9.326 -4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.078 9.828 -4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.395 7.996 -2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.054 7.167 -1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.163 7.133 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.564 11.800 -4.420 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.425 11.715 -3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.116 11.205 -2.836 1.00 0.00 H new ATOM 141 N CYS A 11 4.236 6.433 -2.187 1.00 0.00 N ATOM 142 CA CYS A 11 3.896 5.346 -1.225 1.00 0.00 C ATOM 143 C CYS A 11 5.018 4.304 -1.213 1.00 0.00 C ATOM 144 O CYS A 11 5.373 3.747 -2.232 1.00 0.00 O ATOM 145 CB CYS A 11 2.584 4.681 -1.646 1.00 0.00 C ATOM 146 SG CYS A 11 1.409 4.743 -0.268 1.00 0.00 S ATOM 0 H CYS A 11 4.091 6.206 -3.171 1.00 0.00 H new ATOM 0 HA CYS A 11 3.783 5.768 -0.227 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.168 5.190 -2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.765 3.647 -1.938 1.00 0.00 H new ATOM 151 N SER A 12 5.581 4.042 -0.065 1.00 0.00 N ATOM 152 CA SER A 12 6.680 3.043 0.016 1.00 0.00 C ATOM 153 C SER A 12 6.097 1.660 0.315 1.00 0.00 C ATOM 154 O SER A 12 5.154 1.520 1.070 1.00 0.00 O ATOM 155 CB SER A 12 7.648 3.439 1.130 1.00 0.00 C ATOM 156 OG SER A 12 8.038 4.794 0.952 1.00 0.00 O ATOM 0 H SER A 12 5.326 4.478 0.821 1.00 0.00 H new ATOM 0 HA SER A 12 7.212 3.013 -0.935 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.174 3.310 2.103 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.524 2.791 1.114 1.00 0.00 H new ATOM 0 HG SER A 12 8.658 5.052 1.666 1.00 0.00 H new ATOM 162 N LEU A 13 6.650 0.635 -0.273 1.00 0.00 N ATOM 163 CA LEU A 13 6.125 -0.733 -0.021 1.00 0.00 C ATOM 164 C LEU A 13 5.930 -0.922 1.483 1.00 0.00 C ATOM 165 O LEU A 13 5.066 -1.654 1.918 1.00 0.00 O ATOM 166 CB LEU A 13 7.113 -1.787 -0.536 1.00 0.00 C ATOM 167 CG LEU A 13 7.774 -1.294 -1.824 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.137 -0.681 -1.494 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.965 -2.472 -2.781 1.00 0.00 C ATOM 0 H LEU A 13 7.441 0.687 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 13 5.176 -0.852 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.873 -1.986 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.593 -2.727 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 13 7.140 -0.542 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.609 -0.329 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.003 0.157 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.771 -1.434 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.436 -2.122 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.600 -3.223 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.995 -2.911 -3.015 1.00 0.00 H new ATOM 181 N TYR A 14 6.726 -0.266 2.281 1.00 0.00 N ATOM 182 CA TYR A 14 6.583 -0.411 3.754 1.00 0.00 C ATOM 183 C TYR A 14 5.101 -0.332 4.125 1.00 0.00 C ATOM 184 O TYR A 14 4.561 -1.217 4.759 1.00 0.00 O ATOM 185 CB TYR A 14 7.349 0.712 4.457 1.00 0.00 C ATOM 186 CG TYR A 14 8.765 0.222 4.792 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.957 -0.971 5.525 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.895 0.952 4.368 1.00 0.00 C ATOM 189 CE1 TYR A 14 10.251 -1.414 5.825 1.00 0.00 C ATOM 190 CE2 TYR A 14 11.184 0.499 4.674 1.00 0.00 C ATOM 191 CZ TYR A 14 11.361 -0.680 5.401 1.00 0.00 C ATOM 192 OH TYR A 14 12.634 -1.121 5.700 1.00 0.00 O ATOM 0 H TYR A 14 7.468 0.363 1.976 1.00 0.00 H new ATOM 0 HA TYR A 14 6.988 -1.373 4.068 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.398 1.592 3.816 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.829 1.009 5.368 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.102 -1.543 5.855 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.765 1.864 3.805 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.391 -2.326 6.386 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.045 1.064 4.347 1.00 0.00 H new ATOM 0 HH TYR A 14 13.292 -0.496 5.331 1.00 0.00 H new ATOM 202 N GLN A 15 4.437 0.719 3.730 1.00 0.00 N ATOM 203 CA GLN A 15 2.989 0.851 4.053 1.00 0.00 C ATOM 204 C GLN A 15 2.195 -0.159 3.223 1.00 0.00 C ATOM 205 O GLN A 15 1.347 -0.864 3.732 1.00 0.00 O ATOM 206 CB GLN A 15 2.518 2.268 3.721 1.00 0.00 C ATOM 207 CG GLN A 15 3.344 3.281 4.517 1.00 0.00 C ATOM 208 CD GLN A 15 2.407 4.275 5.207 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.206 4.211 5.041 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.911 5.199 5.979 1.00 0.00 N ATOM 0 H GLN A 15 4.835 1.492 3.197 1.00 0.00 H new ATOM 0 HA GLN A 15 2.831 0.658 5.114 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.623 2.457 2.653 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.460 2.377 3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.954 2.766 5.259 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.028 3.810 3.853 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.920 5.253 6.118 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.296 5.867 6.443 1.00 0.00 H new ATOM 219 N LEU A 16 2.463 -0.236 1.947 1.00 0.00 N ATOM 220 CA LEU A 16 1.724 -1.201 1.091 1.00 0.00 C ATOM 221 C LEU A 16 1.951 -2.622 1.609 1.00 0.00 C ATOM 222 O LEU A 16 1.172 -3.519 1.355 1.00 0.00 O ATOM 223 CB LEU A 16 2.233 -1.096 -0.345 1.00 0.00 C ATOM 224 CG LEU A 16 1.113 -0.587 -1.249 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.974 0.928 -1.092 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.450 -0.915 -2.702 1.00 0.00 C ATOM 0 H LEU A 16 3.162 0.328 1.463 1.00 0.00 H new ATOM 0 HA LEU A 16 0.659 -0.971 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.087 -0.420 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.579 -2.070 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 16 0.175 -1.068 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.174 1.289 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.738 1.166 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.911 1.410 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.653 -0.553 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.388 -0.432 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.550 -1.994 -2.818 1.00 0.00 H new ATOM 238 N GLU A 17 3.012 -2.830 2.335 1.00 0.00 N ATOM 239 CA GLU A 17 3.293 -4.189 2.875 1.00 0.00 C ATOM 240 C GLU A 17 2.196 -4.564 3.863 1.00 0.00 C ATOM 241 O GLU A 17 1.786 -5.704 3.959 1.00 0.00 O ATOM 242 CB GLU A 17 4.647 -4.189 3.585 1.00 0.00 C ATOM 243 CG GLU A 17 5.706 -4.802 2.667 1.00 0.00 C ATOM 244 CD GLU A 17 6.685 -5.631 3.498 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.237 -6.286 4.425 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.866 -5.598 3.194 1.00 0.00 O ATOM 0 H GLU A 17 3.699 -2.116 2.579 1.00 0.00 H new ATOM 0 HA GLU A 17 3.318 -4.913 2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.929 -3.171 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.583 -4.757 4.513 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.230 -5.430 1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.240 -4.015 2.135 1.00 0.00 H new ATOM 253 N ASN A 18 1.710 -3.602 4.587 1.00 0.00 N ATOM 254 CA ASN A 18 0.625 -3.876 5.567 1.00 0.00 C ATOM 255 C ASN A 18 -0.698 -4.046 4.816 1.00 0.00 C ATOM 256 O ASN A 18 -1.734 -4.278 5.406 1.00 0.00 O ATOM 257 CB ASN A 18 0.513 -2.701 6.542 1.00 0.00 C ATOM 258 CG ASN A 18 1.861 -2.469 7.223 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.864 -2.278 6.564 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.930 -2.478 8.527 1.00 0.00 N ATOM 0 H ASN A 18 2.018 -2.631 4.544 1.00 0.00 H new ATOM 0 HA ASN A 18 0.850 -4.787 6.122 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.204 -1.802 6.009 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.253 -2.908 7.290 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.825 -2.325 8.991 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.089 -2.638 9.081 1.00 0.00 H new ATOM 267 N TYR A 19 -0.669 -3.928 3.514 1.00 0.00 N ATOM 268 CA TYR A 19 -1.920 -4.077 2.722 1.00 0.00 C ATOM 269 C TYR A 19 -1.954 -5.457 2.061 1.00 0.00 C ATOM 270 O TYR A 19 -2.995 -5.925 1.644 1.00 0.00 O ATOM 271 CB TYR A 19 -1.962 -3.001 1.635 1.00 0.00 C ATOM 272 CG TYR A 19 -2.871 -1.851 2.088 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.362 -0.804 2.886 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.230 -1.822 1.710 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.196 0.244 3.292 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.057 -0.769 2.122 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.540 0.262 2.910 1.00 0.00 C ATOM 278 OH TYR A 19 -5.357 1.299 3.313 1.00 0.00 O ATOM 0 H TYR A 19 0.170 -3.735 2.967 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.779 -3.970 3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.957 -2.628 1.438 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.333 -3.426 0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.324 -0.812 3.185 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.635 -2.616 1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.799 1.042 3.903 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.097 -0.754 1.830 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.261 1.159 2.961 1.00 0.00 H new ATOM 288 N CYS A 20 -0.826 -6.109 1.951 1.00 0.00 N ATOM 289 CA CYS A 20 -0.810 -7.453 1.306 1.00 0.00 C ATOM 290 C CYS A 20 -1.999 -8.273 1.801 1.00 0.00 C ATOM 291 O CYS A 20 -2.015 -8.756 2.915 1.00 0.00 O ATOM 292 CB CYS A 20 0.473 -8.201 1.655 1.00 0.00 C ATOM 293 SG CYS A 20 0.374 -9.818 0.875 1.00 0.00 S ATOM 0 H CYS A 20 0.079 -5.771 2.278 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.866 -7.315 0.226 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.346 -7.655 1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.579 -8.301 2.735 1.00 0.00 H new ATOM 298 N ASN A 21 -2.991 -8.439 0.978 1.00 0.00 N ATOM 299 CA ASN A 21 -4.179 -9.233 1.393 1.00 0.00 C ATOM 300 C ASN A 21 -4.034 -10.670 0.887 1.00 0.00 C ATOM 301 O ASN A 21 -4.894 -11.477 1.200 1.00 0.00 O ATOM 302 CB ASN A 21 -5.446 -8.611 0.804 1.00 0.00 C ATOM 303 CG ASN A 21 -6.497 -8.462 1.905 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.583 -9.285 2.794 1.00 0.00 O ATOM 305 ND2 ASN A 21 -7.308 -7.439 1.885 1.00 0.00 N ATOM 306 OXT ASN A 21 -3.065 -10.939 0.196 1.00 0.00 O ATOM 0 H ASN A 21 -3.032 -8.059 0.032 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.250 -9.234 2.481 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.218 -7.638 0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.832 -9.237 -0.000 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.012 -7.332 2.615 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.237 -6.747 1.139 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 9.948 -0.622 -6.047 1.00 0.00 N ATOM 315 CA PHE B 1 10.975 -0.321 -5.011 1.00 0.00 C ATOM 316 C PHE B 1 11.611 1.041 -5.305 1.00 0.00 C ATOM 317 O PHE B 1 12.804 1.147 -5.513 1.00 0.00 O ATOM 318 CB PHE B 1 12.056 -1.403 -5.034 1.00 0.00 C ATOM 319 CG PHE B 1 11.953 -2.251 -3.758 1.00 0.00 C ATOM 320 CD1 PHE B 1 12.632 -1.862 -2.584 1.00 0.00 C ATOM 321 CD2 PHE B 1 11.175 -3.429 -3.740 1.00 0.00 C ATOM 322 CE1 PHE B 1 12.534 -2.638 -1.421 1.00 0.00 C ATOM 323 CE2 PHE B 1 11.085 -4.198 -2.573 1.00 0.00 C ATOM 324 CZ PHE B 1 11.763 -3.804 -1.417 1.00 0.00 C ATOM 0 H1 PHE B 1 9.515 -1.547 -5.849 1.00 0.00 H new ATOM 0 H2 PHE B 1 9.214 0.114 -6.032 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.397 -0.644 -6.985 1.00 0.00 H new ATOM 0 HA PHE B 1 10.504 -0.299 -4.028 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.936 -2.034 -5.914 1.00 0.00 H new ATOM 0 HB3 PHE B 1 13.043 -0.946 -5.102 1.00 0.00 H new ATOM 0 HD1 PHE B 1 13.230 -0.963 -2.582 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.647 -3.738 -4.630 1.00 0.00 H new ATOM 0 HE1 PHE B 1 13.056 -2.334 -0.525 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.489 -5.099 -2.567 1.00 0.00 H new ATOM 0 HZ PHE B 1 11.691 -4.401 -0.520 1.00 0.00 H new ATOM 336 N VAL B 2 10.824 2.082 -5.327 1.00 0.00 N ATOM 337 CA VAL B 2 11.386 3.432 -5.610 1.00 0.00 C ATOM 338 C VAL B 2 10.419 4.505 -5.103 1.00 0.00 C ATOM 339 O VAL B 2 9.216 4.338 -5.145 1.00 0.00 O ATOM 340 CB VAL B 2 11.579 3.595 -7.118 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.213 3.654 -7.802 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.343 4.890 -7.399 1.00 0.00 C ATOM 0 H VAL B 2 9.818 2.056 -5.161 1.00 0.00 H new ATOM 0 HA VAL B 2 12.346 3.539 -5.104 1.00 0.00 H new ATOM 0 HB VAL B 2 12.145 2.748 -7.505 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.349 3.770 -8.877 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.666 2.732 -7.603 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.648 4.502 -7.414 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.480 5.006 -8.474 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.777 5.738 -7.012 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.317 4.851 -6.911 1.00 0.00 H new ATOM 352 N ASN B 3 10.934 5.606 -4.629 1.00 0.00 N ATOM 353 CA ASN B 3 10.043 6.688 -4.124 1.00 0.00 C ATOM 354 C ASN B 3 9.240 7.263 -5.291 1.00 0.00 C ATOM 355 O ASN B 3 9.689 8.155 -5.986 1.00 0.00 O ATOM 356 CB ASN B 3 10.890 7.795 -3.492 1.00 0.00 C ATOM 357 CG ASN B 3 11.966 7.172 -2.602 1.00 0.00 C ATOM 358 OD1 ASN B 3 13.129 7.503 -2.713 1.00 0.00 O ATOM 359 ND2 ASN B 3 11.626 6.275 -1.716 1.00 0.00 N ATOM 0 H ASN B 3 11.933 5.803 -4.570 1.00 0.00 H new ATOM 0 HA ASN B 3 9.363 6.283 -3.375 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.354 8.401 -4.270 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.258 8.460 -2.904 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.337 5.853 -1.118 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.649 5.996 -1.622 1.00 0.00 H new ATOM 366 N GLN B 4 8.061 6.755 -5.522 1.00 0.00 N ATOM 367 CA GLN B 4 7.239 7.266 -6.648 1.00 0.00 C ATOM 368 C GLN B 4 5.753 7.148 -6.288 1.00 0.00 C ATOM 369 O GLN B 4 5.393 6.529 -5.306 1.00 0.00 O ATOM 370 CB GLN B 4 7.541 6.431 -7.895 1.00 0.00 C ATOM 371 CG GLN B 4 6.612 6.847 -9.032 1.00 0.00 C ATOM 372 CD GLN B 4 7.148 6.304 -10.358 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.343 6.258 -10.570 1.00 0.00 O ATOM 374 NE2 GLN B 4 6.307 5.889 -11.266 1.00 0.00 N ATOM 0 H GLN B 4 7.633 6.007 -4.977 1.00 0.00 H new ATOM 0 HA GLN B 4 7.475 8.312 -6.841 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.580 6.569 -8.193 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.410 5.371 -7.675 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.607 6.466 -8.851 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.538 7.934 -9.076 1.00 0.00 H new ATOM 0 HE21 GLN B 4 5.303 5.928 -11.087 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.653 5.526 -12.154 1.00 0.00 H new ATOM 383 N HIS B 5 4.890 7.741 -7.069 1.00 0.00 N ATOM 384 CA HIS B 5 3.431 7.666 -6.770 1.00 0.00 C ATOM 385 C HIS B 5 2.887 6.298 -7.195 1.00 0.00 C ATOM 386 O HIS B 5 3.498 5.589 -7.968 1.00 0.00 O ATOM 387 CB HIS B 5 2.703 8.765 -7.543 1.00 0.00 C ATOM 388 CG HIS B 5 2.859 10.071 -6.814 1.00 0.00 C ATOM 389 ND1 HIS B 5 3.984 10.350 -6.068 1.00 0.00 N ATOM 390 CD2 HIS B 5 2.030 11.153 -6.725 1.00 0.00 C ATOM 391 CE1 HIS B 5 3.809 11.575 -5.552 1.00 0.00 C ATOM 392 NE2 HIS B 5 2.627 12.106 -5.927 1.00 0.00 N ATOM 0 H HIS B 5 5.134 8.275 -7.903 1.00 0.00 H new ATOM 0 HA HIS B 5 3.271 7.800 -5.700 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.109 8.847 -8.551 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.647 8.516 -7.645 1.00 0.00 H new ATOM 0 HD2 HIS B 5 1.065 11.247 -7.201 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.525 12.074 -4.916 1.00 0.00 H new ATOM 0 HE2 HIS B 5 2.253 13.021 -5.673 1.00 0.00 H new ATOM 400 N LEU B 6 1.741 5.923 -6.690 1.00 0.00 N ATOM 401 CA LEU B 6 1.156 4.602 -7.061 1.00 0.00 C ATOM 402 C LEU B 6 -0.273 4.800 -7.562 1.00 0.00 C ATOM 403 O LEU B 6 -1.231 4.562 -6.853 1.00 0.00 O ATOM 404 CB LEU B 6 1.142 3.687 -5.837 1.00 0.00 C ATOM 405 CG LEU B 6 2.576 3.421 -5.379 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.417 2.968 -6.573 1.00 0.00 C ATOM 407 CD2 LEU B 6 3.170 4.701 -4.797 1.00 0.00 C ATOM 0 H LEU B 6 1.185 6.475 -6.037 1.00 0.00 H new ATOM 0 HA LEU B 6 1.759 4.148 -7.848 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.572 4.150 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.646 2.747 -6.079 1.00 0.00 H new ATOM 0 HG LEU B 6 2.575 2.641 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.440 2.778 -6.247 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.994 2.054 -6.990 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.418 3.748 -7.334 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.193 4.512 -4.470 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.171 5.481 -5.559 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.571 5.026 -3.946 1.00 0.00 H new ATOM 419 N CYS B 7 -0.424 5.231 -8.783 1.00 0.00 N ATOM 420 CA CYS B 7 -1.786 5.442 -9.338 1.00 0.00 C ATOM 421 C CYS B 7 -2.046 4.424 -10.450 1.00 0.00 C ATOM 422 O CYS B 7 -1.138 3.992 -11.134 1.00 0.00 O ATOM 423 CB CYS B 7 -1.894 6.858 -9.904 1.00 0.00 C ATOM 424 SG CYS B 7 -3.316 7.698 -9.161 1.00 0.00 S ATOM 0 H CYS B 7 0.342 5.447 -9.422 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.525 5.312 -8.547 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.980 7.415 -9.697 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.006 6.821 -10.988 1.00 0.00 H new ATOM 429 N GLY B 8 -3.278 4.036 -10.635 1.00 0.00 N ATOM 430 CA GLY B 8 -3.595 3.045 -11.703 1.00 0.00 C ATOM 431 C GLY B 8 -2.849 1.737 -11.430 1.00 0.00 C ATOM 432 O GLY B 8 -3.008 1.126 -10.392 1.00 0.00 O ATOM 0 H GLY B 8 -4.079 4.362 -10.093 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.669 2.862 -11.736 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.309 3.442 -12.677 1.00 0.00 H new ATOM 436 N SER B 9 -2.039 1.302 -12.357 1.00 0.00 N ATOM 437 CA SER B 9 -1.288 0.032 -12.151 1.00 0.00 C ATOM 438 C SER B 9 -0.265 0.216 -11.030 1.00 0.00 C ATOM 439 O SER B 9 -0.147 -0.611 -10.148 1.00 0.00 O ATOM 440 CB SER B 9 -0.564 -0.349 -13.441 1.00 0.00 C ATOM 441 OG SER B 9 -0.949 0.542 -14.478 1.00 0.00 O ATOM 0 H SER B 9 -1.865 1.771 -13.246 1.00 0.00 H new ATOM 0 HA SER B 9 -1.987 -0.759 -11.878 1.00 0.00 H new ATOM 0 HB2 SER B 9 0.515 -0.307 -13.292 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.807 -1.375 -13.718 1.00 0.00 H new ATOM 0 HG SER B 9 -0.484 0.300 -15.306 1.00 0.00 H new ATOM 447 N ASP B 10 0.476 1.291 -11.052 1.00 0.00 N ATOM 448 CA ASP B 10 1.485 1.515 -9.979 1.00 0.00 C ATOM 449 C ASP B 10 0.852 1.197 -8.627 1.00 0.00 C ATOM 450 O ASP B 10 1.524 0.825 -7.684 1.00 0.00 O ATOM 451 CB ASP B 10 1.945 2.974 -9.998 1.00 0.00 C ATOM 452 CG ASP B 10 2.492 3.322 -11.384 1.00 0.00 C ATOM 453 OD1 ASP B 10 2.788 2.402 -12.129 1.00 0.00 O ATOM 454 OD2 ASP B 10 2.604 4.500 -11.676 1.00 0.00 O ATOM 0 H ASP B 10 0.426 2.020 -11.763 1.00 0.00 H new ATOM 0 HA ASP B 10 2.346 0.868 -10.146 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.112 3.632 -9.749 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.714 3.133 -9.242 1.00 0.00 H new ATOM 459 N LEU B 11 -0.440 1.336 -8.529 1.00 0.00 N ATOM 460 CA LEU B 11 -1.129 1.038 -7.246 1.00 0.00 C ATOM 461 C LEU B 11 -1.267 -0.476 -7.093 1.00 0.00 C ATOM 462 O LEU B 11 -1.089 -1.018 -6.020 1.00 0.00 O ATOM 463 CB LEU B 11 -2.514 1.693 -7.259 1.00 0.00 C ATOM 464 CG LEU B 11 -3.147 1.655 -5.863 1.00 0.00 C ATOM 465 CD1 LEU B 11 -2.095 1.937 -4.787 1.00 0.00 C ATOM 466 CD2 LEU B 11 -4.233 2.725 -5.785 1.00 0.00 C ATOM 0 H LEU B 11 -1.050 1.645 -9.286 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.553 1.432 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.430 2.726 -7.597 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.159 1.177 -7.970 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.570 0.665 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.563 1.906 -3.803 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.310 1.183 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.662 2.924 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.691 2.707 -4.796 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.791 3.705 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -4.994 2.527 -6.540 1.00 0.00 H new ATOM 478 N VAL B 12 -1.565 -1.169 -8.158 1.00 0.00 N ATOM 479 CA VAL B 12 -1.691 -2.649 -8.060 1.00 0.00 C ATOM 480 C VAL B 12 -0.299 -3.264 -8.230 1.00 0.00 C ATOM 481 O VAL B 12 0.001 -4.304 -7.680 1.00 0.00 O ATOM 482 CB VAL B 12 -2.667 -3.177 -9.137 1.00 0.00 C ATOM 483 CG1 VAL B 12 -3.589 -2.049 -9.594 1.00 0.00 C ATOM 484 CG2 VAL B 12 -1.906 -3.713 -10.355 1.00 0.00 C ATOM 0 H VAL B 12 -1.726 -0.777 -9.086 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.095 -2.929 -7.087 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.248 -3.987 -8.696 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.275 -2.425 -10.353 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.158 -1.677 -8.742 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.992 -1.239 -10.014 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.617 -4.078 -11.096 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.306 -2.914 -10.790 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.253 -4.529 -10.046 1.00 0.00 H new ATOM 494 N GLU B 13 0.554 -2.615 -8.979 1.00 0.00 N ATOM 495 CA GLU B 13 1.930 -3.146 -9.175 1.00 0.00 C ATOM 496 C GLU B 13 2.658 -3.095 -7.841 1.00 0.00 C ATOM 497 O GLU B 13 3.389 -3.996 -7.478 1.00 0.00 O ATOM 498 CB GLU B 13 2.672 -2.289 -10.204 1.00 0.00 C ATOM 499 CG GLU B 13 1.788 -2.093 -11.437 1.00 0.00 C ATOM 500 CD GLU B 13 2.287 -2.991 -12.570 1.00 0.00 C ATOM 501 OE1 GLU B 13 3.359 -2.720 -13.087 1.00 0.00 O ATOM 502 OE2 GLU B 13 1.589 -3.935 -12.902 1.00 0.00 O ATOM 0 H GLU B 13 0.354 -1.739 -9.463 1.00 0.00 H new ATOM 0 HA GLU B 13 1.888 -4.173 -9.539 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.929 -1.323 -9.770 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.608 -2.771 -10.487 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.752 -2.334 -11.197 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.808 -1.049 -11.750 1.00 0.00 H new ATOM 509 N ALA B 14 2.435 -2.055 -7.095 1.00 0.00 N ATOM 510 CA ALA B 14 3.078 -1.945 -5.762 1.00 0.00 C ATOM 511 C ALA B 14 2.483 -3.038 -4.883 1.00 0.00 C ATOM 512 O ALA B 14 3.170 -3.913 -4.406 1.00 0.00 O ATOM 513 CB ALA B 14 2.779 -0.571 -5.158 1.00 0.00 C ATOM 0 H ALA B 14 1.833 -1.273 -7.352 1.00 0.00 H new ATOM 0 HA ALA B 14 4.159 -2.058 -5.840 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.252 -0.493 -4.179 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.170 0.207 -5.813 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.701 -0.447 -5.051 1.00 0.00 H new ATOM 519 N LEU B 15 1.197 -3.013 -4.700 1.00 0.00 N ATOM 520 CA LEU B 15 0.542 -4.068 -3.883 1.00 0.00 C ATOM 521 C LEU B 15 0.862 -5.435 -4.496 1.00 0.00 C ATOM 522 O LEU B 15 0.713 -6.468 -3.871 1.00 0.00 O ATOM 523 CB LEU B 15 -0.969 -3.843 -3.912 1.00 0.00 C ATOM 524 CG LEU B 15 -1.388 -3.011 -2.705 1.00 0.00 C ATOM 525 CD1 LEU B 15 -2.083 -1.732 -3.178 1.00 0.00 C ATOM 526 CD2 LEU B 15 -2.356 -3.826 -1.853 1.00 0.00 C ATOM 0 H LEU B 15 0.568 -2.306 -5.081 1.00 0.00 H new ATOM 0 HA LEU B 15 0.902 -4.031 -2.855 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.253 -3.334 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.489 -4.801 -3.904 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.508 -2.747 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.382 -1.139 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.397 -1.153 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.966 -1.992 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.661 -3.239 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.234 -4.083 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.865 -4.739 -1.517 1.00 0.00 H new ATOM 538 N TYR B 16 1.283 -5.442 -5.731 1.00 0.00 N ATOM 539 CA TYR B 16 1.596 -6.726 -6.419 1.00 0.00 C ATOM 540 C TYR B 16 2.905 -7.327 -5.891 1.00 0.00 C ATOM 541 O TYR B 16 2.991 -8.517 -5.661 1.00 0.00 O ATOM 542 CB TYR B 16 1.731 -6.475 -7.924 1.00 0.00 C ATOM 543 CG TYR B 16 0.584 -7.181 -8.659 1.00 0.00 C ATOM 544 CD1 TYR B 16 0.163 -8.471 -8.261 1.00 0.00 C ATOM 545 CD2 TYR B 16 -0.069 -6.553 -9.738 1.00 0.00 C ATOM 546 CE1 TYR B 16 -0.887 -9.109 -8.934 1.00 0.00 C ATOM 547 CE2 TYR B 16 -1.116 -7.201 -10.404 1.00 0.00 C ATOM 548 CZ TYR B 16 -1.524 -8.475 -10.004 1.00 0.00 C ATOM 549 OH TYR B 16 -2.556 -9.108 -10.664 1.00 0.00 O ATOM 0 H TYR B 16 1.425 -4.606 -6.297 1.00 0.00 H new ATOM 0 HA TYR B 16 0.786 -7.428 -6.223 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.706 -5.405 -8.130 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.691 -6.846 -8.282 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.653 -8.966 -7.435 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.240 -5.567 -10.053 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.205 -10.094 -8.625 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -1.610 -6.713 -11.231 1.00 0.00 H new ATOM 0 HH TYR B 16 -2.889 -8.529 -11.381 1.00 0.00 H new ATOM 559 N LEU B 17 3.931 -6.536 -5.708 1.00 0.00 N ATOM 560 CA LEU B 17 5.207 -7.101 -5.217 1.00 0.00 C ATOM 561 C LEU B 17 5.254 -7.015 -3.686 1.00 0.00 C ATOM 562 O LEU B 17 5.943 -7.779 -3.041 1.00 0.00 O ATOM 563 CB LEU B 17 6.365 -6.374 -5.911 1.00 0.00 C ATOM 564 CG LEU B 17 7.035 -5.358 -5.007 1.00 0.00 C ATOM 565 CD1 LEU B 17 6.006 -4.386 -4.445 1.00 0.00 C ATOM 566 CD2 LEU B 17 7.754 -6.067 -3.870 1.00 0.00 C ATOM 0 H LEU B 17 3.934 -5.530 -5.878 1.00 0.00 H new ATOM 0 HA LEU B 17 5.296 -8.159 -5.465 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.103 -7.105 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU B 17 5.992 -5.872 -6.804 1.00 0.00 H new ATOM 0 HG LEU B 17 7.762 -4.796 -5.594 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.503 -3.663 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.515 -3.862 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.262 -4.936 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.232 -5.329 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.035 -6.644 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.511 -6.736 -4.279 1.00 0.00 H new ATOM 578 N VAL B 18 4.513 -6.118 -3.091 1.00 0.00 N ATOM 579 CA VAL B 18 4.514 -6.033 -1.600 1.00 0.00 C ATOM 580 C VAL B 18 4.084 -7.385 -1.053 1.00 0.00 C ATOM 581 O VAL B 18 4.622 -7.898 -0.091 1.00 0.00 O ATOM 582 CB VAL B 18 3.506 -4.983 -1.130 1.00 0.00 C ATOM 583 CG1 VAL B 18 3.699 -3.692 -1.919 1.00 0.00 C ATOM 584 CG2 VAL B 18 2.085 -5.520 -1.353 1.00 0.00 C ATOM 0 H VAL B 18 3.912 -5.446 -3.567 1.00 0.00 H new ATOM 0 HA VAL B 18 5.509 -5.759 -1.250 1.00 0.00 H new ATOM 0 HB VAL B 18 3.659 -4.776 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.979 -2.947 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.710 -3.317 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.546 -3.888 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL B 18 1.359 -4.778 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL B 18 1.935 -5.724 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL B 18 1.950 -6.440 -0.784 1.00 0.00 H new ATOM 594 N CYS B 19 3.098 -7.949 -1.677 1.00 0.00 N ATOM 595 CA CYS B 19 2.575 -9.259 -1.245 1.00 0.00 C ATOM 596 C CYS B 19 3.605 -10.342 -1.547 1.00 0.00 C ATOM 597 O CYS B 19 4.035 -11.072 -0.675 1.00 0.00 O ATOM 598 CB CYS B 19 1.282 -9.546 -2.014 1.00 0.00 C ATOM 599 SG CYS B 19 -0.190 -9.315 -0.995 1.00 0.00 S ATOM 0 H CYS B 19 2.624 -7.546 -2.485 1.00 0.00 H new ATOM 0 HA CYS B 19 2.375 -9.249 -0.174 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.226 -8.890 -2.883 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.305 -10.569 -2.388 1.00 0.00 H new ATOM 604 N GLY B 20 4.004 -10.448 -2.778 1.00 0.00 N ATOM 605 CA GLY B 20 5.010 -11.481 -3.148 1.00 0.00 C ATOM 606 C GLY B 20 4.765 -11.970 -4.579 1.00 0.00 C ATOM 607 O GLY B 20 5.591 -12.644 -5.162 1.00 0.00 O ATOM 0 H GLY B 20 3.678 -9.864 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY B 20 6.015 -11.067 -3.065 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.952 -12.320 -2.454 1.00 0.00 H new HETATM 611 N DGL B 21 3.640 -11.639 -5.155 1.00 0.00 N HETATM 612 CA DGL B 21 3.360 -12.091 -6.545 1.00 0.00 C HETATM 613 C DGL B 21 2.048 -12.876 -6.583 1.00 0.00 C HETATM 614 O DGL B 21 1.664 -13.412 -7.603 1.00 0.00 O HETATM 615 CB DGL B 21 3.251 -10.873 -7.464 1.00 0.00 C HETATM 616 CG DGL B 21 4.025 -11.140 -8.754 1.00 0.00 C HETATM 617 CD DGL B 21 3.760 -10.014 -9.754 1.00 0.00 C HETATM 618 OE1 DGL B 21 3.481 -8.911 -9.312 1.00 0.00 O HETATM 619 OE2 DGL B 21 3.840 -10.274 -10.943 1.00 0.00 O HETATM 0 HG3 DGL B 21 5.092 -11.208 -8.542 1.00 0.00 H new HETATM 0 HG2 DGL B 21 3.723 -12.097 -9.180 1.00 0.00 H new HETATM 0 HB3 DGL B 21 2.205 -10.667 -7.691 1.00 0.00 H new HETATM 0 HB2 DGL B 21 3.649 -9.990 -6.964 1.00 0.00 H new HETATM 0 HA DGL B 21 4.172 -12.734 -6.883 1.00 0.00 H new ATOM 626 N ARG B 22 1.355 -12.951 -5.480 1.00 0.00 N ATOM 627 CA ARG B 22 0.069 -13.705 -5.460 1.00 0.00 C ATOM 628 C ARG B 22 -1.098 -12.728 -5.611 1.00 0.00 C ATOM 629 O ARG B 22 -1.496 -12.386 -6.707 1.00 0.00 O ATOM 630 CB ARG B 22 -0.058 -14.462 -4.136 1.00 0.00 C ATOM 631 CG ARG B 22 0.775 -15.744 -4.200 1.00 0.00 C ATOM 632 CD ARG B 22 1.081 -16.227 -2.780 1.00 0.00 C ATOM 633 NE ARG B 22 1.330 -17.696 -2.799 1.00 0.00 N ATOM 634 CZ ARG B 22 2.195 -18.222 -1.976 1.00 0.00 C ATOM 635 NH1 ARG B 22 1.858 -18.457 -0.736 1.00 0.00 N ATOM 636 NH2 ARG B 22 3.398 -18.512 -2.390 1.00 0.00 N ATOM 0 H ARG B 22 1.623 -12.524 -4.593 1.00 0.00 H new ATOM 0 HA ARG B 22 0.051 -14.417 -6.285 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.283 -13.835 -3.312 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -1.103 -14.704 -3.942 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.234 -16.515 -4.749 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.703 -15.560 -4.741 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.953 -15.704 -2.386 1.00 0.00 H new ATOM 0 HD3 ARG B 22 0.246 -15.997 -2.118 1.00 0.00 H new ATOM 0 HE ARG B 22 0.824 -18.290 -3.456 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.918 -18.229 -0.411 1.00 0.00 H new ATOM 0 HH12 ARG B 22 2.534 -18.868 -0.093 1.00 0.00 H new ATOM 0 HH21 ARG B 22 3.663 -18.327 -3.358 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.074 -18.923 -1.746 1.00 0.00 H new ATOM 650 N GLY B 23 -1.651 -12.280 -4.521 1.00 0.00 N ATOM 651 CA GLY B 23 -2.794 -11.325 -4.601 1.00 0.00 C ATOM 652 C GLY B 23 -2.474 -10.076 -3.778 1.00 0.00 C ATOM 653 O GLY B 23 -1.333 -9.810 -3.457 1.00 0.00 O ATOM 0 H GLY B 23 -1.362 -12.533 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.981 -11.051 -5.639 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.703 -11.797 -4.227 1.00 0.00 H new ATOM 657 N PHE B 24 -3.471 -9.306 -3.435 1.00 0.00 N ATOM 658 CA PHE B 24 -3.220 -8.077 -2.636 1.00 0.00 C ATOM 659 C PHE B 24 -4.549 -7.413 -2.270 1.00 0.00 C ATOM 660 O PHE B 24 -5.609 -7.979 -2.445 1.00 0.00 O ATOM 661 CB PHE B 24 -2.366 -7.104 -3.450 1.00 0.00 C ATOM 662 CG PHE B 24 -2.880 -6.996 -4.877 1.00 0.00 C ATOM 663 CD1 PHE B 24 -4.163 -7.458 -5.219 1.00 0.00 C ATOM 664 CD2 PHE B 24 -2.063 -6.425 -5.864 1.00 0.00 C ATOM 665 CE1 PHE B 24 -4.620 -7.348 -6.539 1.00 0.00 C ATOM 666 CE2 PHE B 24 -2.523 -6.317 -7.183 1.00 0.00 C ATOM 667 CZ PHE B 24 -3.801 -6.779 -7.520 1.00 0.00 C ATOM 0 H PHE B 24 -4.448 -9.477 -3.674 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.692 -8.346 -1.721 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.378 -6.121 -2.979 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.329 -7.441 -3.457 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.797 -7.898 -4.464 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.077 -6.068 -5.607 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.606 -7.703 -6.799 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.891 -5.877 -7.940 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.154 -6.696 -8.537 1.00 0.00 H new ATOM 677 N PHE B 25 -4.498 -6.213 -1.766 1.00 0.00 N ATOM 678 CA PHE B 25 -5.755 -5.507 -1.389 1.00 0.00 C ATOM 679 C PHE B 25 -5.982 -4.314 -2.323 1.00 0.00 C ATOM 680 O PHE B 25 -6.624 -3.348 -1.960 1.00 0.00 O ATOM 681 CB PHE B 25 -5.653 -5.000 0.053 1.00 0.00 C ATOM 682 CG PHE B 25 -7.036 -4.524 0.529 1.00 0.00 C ATOM 683 CD1 PHE B 25 -8.167 -4.629 -0.316 1.00 0.00 C ATOM 684 CD2 PHE B 25 -7.199 -3.977 1.817 1.00 0.00 C ATOM 685 CE1 PHE B 25 -9.423 -4.192 0.126 1.00 0.00 C ATOM 686 CE2 PHE B 25 -8.459 -3.543 2.248 1.00 0.00 C ATOM 687 CZ PHE B 25 -9.568 -3.651 1.406 1.00 0.00 C ATOM 0 H PHE B 25 -3.639 -5.689 -1.598 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.589 -6.203 -1.475 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -5.286 -5.794 0.704 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -4.935 -4.182 0.112 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.061 -5.048 -1.306 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.347 -3.892 2.476 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.281 -4.274 -0.525 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.574 -3.123 3.236 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.538 -3.316 1.744 1.00 0.00 H new ATOM 697 N TYR B 26 -5.465 -4.367 -3.522 1.00 0.00 N ATOM 698 CA TYR B 26 -5.667 -3.225 -4.460 1.00 0.00 C ATOM 699 C TYR B 26 -7.165 -2.931 -4.577 1.00 0.00 C ATOM 700 O TYR B 26 -7.974 -3.828 -4.709 1.00 0.00 O ATOM 701 CB TYR B 26 -5.099 -3.580 -5.840 1.00 0.00 C ATOM 702 CG TYR B 26 -5.626 -2.578 -6.879 1.00 0.00 C ATOM 703 CD1 TYR B 26 -5.667 -1.195 -6.586 1.00 0.00 C ATOM 704 CD2 TYR B 26 -6.079 -3.024 -8.136 1.00 0.00 C ATOM 705 CE1 TYR B 26 -6.148 -0.288 -7.538 1.00 0.00 C ATOM 706 CE2 TYR B 26 -6.559 -2.108 -9.080 1.00 0.00 C ATOM 707 CZ TYR B 26 -6.592 -0.743 -8.783 1.00 0.00 C ATOM 708 OH TYR B 26 -7.065 0.156 -9.717 1.00 0.00 O ATOM 0 H TYR B 26 -4.916 -5.144 -3.890 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.150 -2.344 -4.080 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.010 -3.556 -5.815 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.389 -4.594 -6.116 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.326 -0.838 -5.625 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.056 -4.077 -8.373 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.176 0.767 -7.310 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.905 -2.458 -10.041 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.994 -0.062 -9.940 1.00 0.00 H new ATOM 718 N THR B 27 -7.540 -1.682 -4.526 1.00 0.00 N ATOM 719 CA THR B 27 -8.986 -1.335 -4.630 1.00 0.00 C ATOM 720 C THR B 27 -9.358 -1.120 -6.098 1.00 0.00 C ATOM 721 O THR B 27 -8.560 -1.327 -6.989 1.00 0.00 O ATOM 722 CB THR B 27 -9.261 -0.052 -3.841 1.00 0.00 C ATOM 723 OG1 THR B 27 -8.151 0.234 -3.003 1.00 0.00 O ATOM 724 CG2 THR B 27 -10.516 -0.235 -2.987 1.00 0.00 C ATOM 0 H THR B 27 -6.909 -0.888 -4.417 1.00 0.00 H new ATOM 0 HA THR B 27 -9.584 -2.150 -4.221 1.00 0.00 H new ATOM 0 HB THR B 27 -9.415 0.775 -4.534 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.325 1.056 -2.499 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.711 0.679 -2.426 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.367 -0.453 -3.633 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.366 -1.062 -2.293 1.00 0.00 H new ATOM 732 N LYS B 28 -10.570 -0.704 -6.355 1.00 0.00 N ATOM 733 CA LYS B 28 -10.999 -0.475 -7.764 1.00 0.00 C ATOM 734 C LYS B 28 -10.543 -1.648 -8.636 1.00 0.00 C ATOM 735 O LYS B 28 -9.536 -1.562 -9.312 1.00 0.00 O ATOM 736 CB LYS B 28 -10.371 0.819 -8.285 1.00 0.00 C ATOM 737 CG LYS B 28 -10.714 1.972 -7.339 1.00 0.00 C ATOM 738 CD LYS B 28 -11.326 3.123 -8.138 1.00 0.00 C ATOM 739 CE LYS B 28 -10.780 4.454 -7.616 1.00 0.00 C ATOM 740 NZ LYS B 28 -11.847 5.167 -6.860 1.00 0.00 N ATOM 0 H LYS B 28 -11.281 -0.513 -5.649 1.00 0.00 H new ATOM 0 HA LYS B 28 -12.085 -0.394 -7.802 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -9.289 0.706 -8.360 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -10.739 1.036 -9.288 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.414 1.633 -6.575 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -9.817 2.311 -6.822 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.090 3.011 -9.196 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.412 3.104 -8.050 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.919 4.278 -6.972 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.436 5.069 -8.447 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.476 6.071 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.656 5.347 -7.488 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.155 4.581 -6.058 1.00 0.00 H new ATOM 754 N PRO B 29 -11.304 -2.712 -8.596 1.00 0.00 N ATOM 755 CA PRO B 29 -11.013 -3.925 -9.374 1.00 0.00 C ATOM 756 C PRO B 29 -11.406 -3.726 -10.840 1.00 0.00 C ATOM 757 O PRO B 29 -12.535 -3.400 -11.151 1.00 0.00 O ATOM 758 CB PRO B 29 -11.882 -4.997 -8.711 1.00 0.00 C ATOM 759 CG PRO B 29 -13.019 -4.245 -7.983 1.00 0.00 C ATOM 760 CD PRO B 29 -12.522 -2.804 -7.770 1.00 0.00 C ATOM 0 HA PRO B 29 -9.955 -4.189 -9.379 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.285 -5.685 -9.454 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.298 -5.592 -8.009 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.934 -4.256 -8.576 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -13.251 -4.720 -7.030 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -13.270 -2.075 -8.082 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -12.306 -2.609 -6.720 1.00 0.00 H new ATOM 768 N THR B 30 -10.485 -3.920 -11.744 1.00 0.00 N ATOM 769 CA THR B 30 -10.810 -3.741 -13.187 1.00 0.00 C ATOM 770 C THR B 30 -11.615 -4.944 -13.683 1.00 0.00 C ATOM 771 O THR B 30 -11.001 -5.931 -14.053 1.00 0.00 O ATOM 772 CB THR B 30 -9.513 -3.628 -13.994 1.00 0.00 C ATOM 773 OG1 THR B 30 -8.506 -4.420 -13.379 1.00 0.00 O ATOM 774 CG2 THR B 30 -9.063 -2.168 -14.037 1.00 0.00 C ATOM 775 OXT THR B 30 -12.832 -4.858 -13.683 1.00 0.00 O ATOM 0 H THR B 30 -9.523 -4.194 -11.546 1.00 0.00 H new ATOM 0 HA THR B 30 -11.398 -2.832 -13.315 1.00 0.00 H new ATOM 0 HB THR B 30 -9.684 -3.982 -15.011 1.00 0.00 H new ATOM 0 HG1 THR B 30 -8.814 -5.348 -13.315 1.00 0.00 H new ATOM 0 HG21 THR B 30 -8.140 -2.089 -14.611 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.837 -1.562 -14.508 1.00 0.00 H new ATOM 0 HG23 THR B 30 -8.891 -1.810 -13.022 1.00 0.00 H new TER 783 THR B 30