USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 hydrogens (7 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 24 DHI H2 : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DHI H : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.905 (180deg=0.505) USER MOD Single : A 5 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.73) 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= 0.00392 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.557 K(o=0.56,f=-4.2!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.94 K(o=0.94,f=0) USER MOD Single : B 1 PHE N :NH3+ 149:sc= 0.351 (180deg=0.0575) USER MOD Single : B 3 ASN : amide:sc= 0.386 X(o=0.39,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 5 HIS : no HD1:sc= 0.653 K(o=0.65,f=-2.4!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.094) 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 39:sc= 0.0632 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 43:sc= 0.101 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.971 -5.525 12.764 1.00 0.00 N ATOM 2 CA GLY A 1 1.962 -4.993 11.825 1.00 0.00 C ATOM 3 C GLY A 1 2.326 -3.597 11.342 1.00 0.00 C ATOM 4 O GLY A 1 3.122 -2.900 11.974 1.00 0.00 O ATOM 0 H1 GLY A 1 3.129 -6.534 12.568 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.864 -5.005 12.645 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.631 -5.411 13.740 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.872 -5.662 10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.988 -4.967 12.313 1.00 0.00 H new ATOM 10 N ILE A 2 1.760 -3.180 10.205 1.00 0.00 N ATOM 11 CA ILE A 2 2.043 -1.884 9.558 1.00 0.00 C ATOM 12 C ILE A 2 1.239 -0.763 10.242 1.00 0.00 C ATOM 13 O ILE A 2 0.042 -0.914 10.499 1.00 0.00 O ATOM 14 CB ILE A 2 1.793 -1.978 8.028 1.00 0.00 C ATOM 15 CG1 ILE A 2 2.945 -2.681 7.268 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.629 -0.599 7.365 1.00 0.00 C ATOM 17 CD1 ILE A 2 3.264 -4.113 7.707 1.00 0.00 C ATOM 0 H ILE A 2 1.078 -3.741 9.694 1.00 0.00 H new ATOM 0 HA ILE A 2 3.096 -1.631 9.681 1.00 0.00 H new ATOM 0 HB ILE A 2 0.873 -2.558 7.955 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.698 -2.694 6.206 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.847 -2.079 7.378 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.457 -0.727 6.296 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.780 -0.080 7.810 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.534 -0.011 7.519 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.086 -4.503 7.106 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.550 -4.116 8.759 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.384 -4.741 7.569 1.00 0.00 H new ATOM 29 N VAL A 3 1.901 0.369 10.515 1.00 0.00 N ATOM 30 CA VAL A 3 1.332 1.550 11.207 1.00 0.00 C ATOM 31 C VAL A 3 1.532 2.876 10.448 1.00 0.00 C ATOM 32 O VAL A 3 1.136 3.937 10.933 1.00 0.00 O ATOM 33 CB VAL A 3 1.864 1.659 12.656 1.00 0.00 C ATOM 34 CG1 VAL A 3 1.455 0.446 13.501 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.390 1.811 12.723 1.00 0.00 C ATOM 0 H VAL A 3 2.879 0.500 10.255 1.00 0.00 H new ATOM 0 HA VAL A 3 0.256 1.381 11.236 1.00 0.00 H new ATOM 0 HB VAL A 3 1.409 2.563 13.061 1.00 0.00 H new ATOM 0 HG11 VAL A 3 1.847 0.558 14.512 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.368 0.379 13.538 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.860 -0.462 13.054 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.703 1.883 13.765 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.863 0.944 12.261 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.689 2.714 12.191 1.00 0.00 H new ATOM 45 N GLU A 4 2.140 2.837 9.260 1.00 0.00 N ATOM 46 CA GLU A 4 2.444 4.002 8.414 1.00 0.00 C ATOM 47 C GLU A 4 2.372 3.628 6.920 1.00 0.00 C ATOM 48 O GLU A 4 2.605 2.474 6.551 1.00 0.00 O ATOM 49 CB GLU A 4 3.834 4.549 8.804 1.00 0.00 C ATOM 50 CG GLU A 4 4.272 5.831 8.079 1.00 0.00 C ATOM 51 CD GLU A 4 3.304 7.005 8.328 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.269 7.091 7.624 1.00 0.00 O1- ATOM 53 OE2 GLU A 4 3.570 7.840 9.227 1.00 0.00 O ATOM 0 H GLU A 4 2.448 1.959 8.841 1.00 0.00 H new ATOM 0 HA GLU A 4 1.701 4.783 8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.841 4.740 9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.576 3.774 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.272 6.110 8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.336 5.636 7.008 1.00 0.00 H new ATOM 60 N GLN A 5 2.043 4.592 6.057 1.00 0.00 N ATOM 61 CA GLN A 5 1.829 4.400 4.616 1.00 0.00 C ATOM 62 C GLN A 5 2.717 5.330 3.769 1.00 0.00 C ATOM 63 O GLN A 5 3.151 6.390 4.223 1.00 0.00 O ATOM 64 CB GLN A 5 0.336 4.592 4.269 1.00 0.00 C ATOM 65 CG GLN A 5 -0.591 3.524 4.885 1.00 0.00 C ATOM 66 CD GLN A 5 -0.935 3.722 6.366 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.949 4.818 6.910 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.258 2.663 7.078 1.00 0.00 N ATOM 0 H GLN A 5 1.913 5.561 6.349 1.00 0.00 H new ATOM 0 HA GLN A 5 2.119 3.378 4.371 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.017 5.577 4.611 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.220 4.578 3.185 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.519 3.501 4.314 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.120 2.548 4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.254 1.738 6.647 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.512 2.767 8.060 1.00 0.00 H new ATOM 77 N CYS A 6 2.950 4.960 2.505 1.00 0.00 N ATOM 78 CA CYS A 6 3.762 5.698 1.525 1.00 0.00 C ATOM 79 C CYS A 6 2.982 6.875 0.873 1.00 0.00 C ATOM 80 O CYS A 6 3.004 7.111 -0.338 1.00 0.00 O ATOM 81 CB CYS A 6 4.428 4.647 0.612 1.00 0.00 C ATOM 82 SG CYS A 6 5.360 5.177 -0.847 1.00 0.00 S ATOM 0 H CYS A 6 2.561 4.100 2.118 1.00 0.00 H new ATOM 0 HA CYS A 6 4.580 6.258 1.978 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.104 4.060 1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.644 3.972 0.268 1.00 0.00 H new ATOM 87 N CYS A 7 2.281 7.635 1.724 1.00 0.00 N ATOM 88 CA CYS A 7 1.839 9.014 1.487 1.00 0.00 C ATOM 89 C CYS A 7 2.999 10.002 1.741 1.00 0.00 C ATOM 90 O CYS A 7 3.903 9.716 2.529 1.00 0.00 O ATOM 91 CB CYS A 7 0.673 9.352 2.441 1.00 0.00 C ATOM 92 SG CYS A 7 -1.027 9.086 1.862 1.00 0.00 S ATOM 0 H CYS A 7 1.993 7.288 2.639 1.00 0.00 H new ATOM 0 HA CYS A 7 1.513 9.103 0.451 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.809 8.766 3.350 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.767 10.401 2.721 1.00 0.00 H new ATOM 97 N THR A 8 2.923 11.199 1.143 1.00 0.00 N ATOM 98 CA THR A 8 3.838 12.358 1.312 1.00 0.00 C ATOM 99 C THR A 8 5.280 12.149 0.821 1.00 0.00 C ATOM 100 O THR A 8 5.766 12.951 0.021 1.00 0.00 O ATOM 101 CB THR A 8 3.803 12.902 2.757 1.00 0.00 C ATOM 102 OG1 THR A 8 2.462 13.106 3.164 1.00 0.00 O ATOM 103 CG2 THR A 8 4.518 14.247 2.901 1.00 0.00 C ATOM 0 H THR A 8 2.174 11.407 0.482 1.00 0.00 H new ATOM 0 HA THR A 8 3.436 13.114 0.638 1.00 0.00 H new ATOM 0 HB THR A 8 4.310 12.158 3.372 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.447 13.449 4.082 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.461 14.580 3.937 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.563 14.136 2.612 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.040 14.984 2.256 1.00 0.00 H new ATOM 111 N SER A 9 5.953 11.066 1.212 1.00 0.00 N ATOM 112 CA SER A 9 7.243 10.609 0.669 1.00 0.00 C ATOM 113 C SER A 9 7.077 9.363 -0.211 1.00 0.00 C ATOM 114 O SER A 9 6.119 8.598 -0.063 1.00 0.00 O ATOM 115 CB SER A 9 8.257 10.368 1.796 1.00 0.00 C ATOM 116 OG SER A 9 7.769 9.439 2.752 1.00 0.00 O ATOM 0 H SER A 9 5.602 10.453 1.948 1.00 0.00 H new ATOM 0 HA SER A 9 7.633 11.402 0.031 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.191 9.998 1.372 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.484 11.313 2.290 1.00 0.00 H new ATOM 0 HG SER A 9 8.441 9.308 3.454 1.00 0.00 H new ATOM 122 N ILE A 10 8.003 9.172 -1.156 1.00 0.00 N ATOM 123 CA ILE A 10 7.948 8.108 -2.174 1.00 0.00 C ATOM 124 C ILE A 10 8.904 6.967 -1.787 1.00 0.00 C ATOM 125 O ILE A 10 10.066 7.199 -1.447 1.00 0.00 O ATOM 126 CB ILE A 10 8.204 8.675 -3.593 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.261 9.869 -3.881 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.990 7.576 -4.652 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.439 10.531 -5.250 1.00 0.00 C ATOM 0 H ILE A 10 8.830 9.763 -1.240 1.00 0.00 H new ATOM 0 HA ILE A 10 6.943 7.686 -2.206 1.00 0.00 H new ATOM 0 HB ILE A 10 9.236 9.023 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.230 9.525 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.412 10.624 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.173 7.987 -5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.680 6.753 -4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.965 7.210 -4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.732 11.354 -5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.456 10.913 -5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.256 9.798 -6.035 1.00 0.00 H new ATOM 141 N CYS A 11 8.397 5.734 -1.822 1.00 0.00 N ATOM 142 CA CYS A 11 9.035 4.532 -1.281 1.00 0.00 C ATOM 143 C CYS A 11 9.714 3.650 -2.347 1.00 0.00 C ATOM 144 O CYS A 11 9.335 3.641 -3.521 1.00 0.00 O ATOM 145 CB CYS A 11 7.990 3.726 -0.487 1.00 0.00 C ATOM 146 SG CYS A 11 6.398 3.487 -1.331 1.00 0.00 S ATOM 0 H CYS A 11 7.491 5.537 -2.247 1.00 0.00 H new ATOM 0 HA CYS A 11 9.842 4.861 -0.627 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.410 2.748 -0.252 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.809 4.231 0.462 1.00 0.00 H new ATOM 151 N SER A 12 10.695 2.858 -1.903 1.00 0.00 N ATOM 152 CA SER A 12 11.303 1.757 -2.663 1.00 0.00 C ATOM 153 C SER A 12 10.485 0.466 -2.535 1.00 0.00 C ATOM 154 O SER A 12 9.843 0.223 -1.509 1.00 0.00 O ATOM 155 CB SER A 12 12.741 1.534 -2.176 1.00 0.00 C ATOM 156 OG SER A 12 13.343 0.447 -2.863 1.00 0.00 O ATOM 0 H SER A 12 11.102 2.968 -0.974 1.00 0.00 H new ATOM 0 HA SER A 12 11.314 2.030 -3.718 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.328 2.439 -2.333 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.740 1.337 -1.104 1.00 0.00 H new ATOM 0 HG SER A 12 14.260 0.323 -2.539 1.00 0.00 H new ATOM 162 N LEU A 13 10.559 -0.417 -3.537 1.00 0.00 N ATOM 163 CA LEU A 13 9.948 -1.754 -3.492 1.00 0.00 C ATOM 164 C LEU A 13 10.545 -2.625 -2.368 1.00 0.00 C ATOM 165 O LEU A 13 9.854 -3.500 -1.847 1.00 0.00 O ATOM 166 CB LEU A 13 10.093 -2.453 -4.857 1.00 0.00 C ATOM 167 CG LEU A 13 9.089 -2.002 -5.937 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.306 -0.565 -6.421 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.199 -2.922 -7.154 1.00 0.00 C ATOM 0 H LEU A 13 11.049 -0.224 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 13 8.889 -1.625 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.103 -2.282 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.985 -3.528 -4.710 1.00 0.00 H new ATOM 0 HG LEU A 13 8.106 -2.052 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.562 -0.320 -7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.206 0.121 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.304 -0.472 -6.849 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.489 -2.603 -7.917 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.211 -2.873 -7.557 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.976 -3.947 -6.857 1.00 0.00 H new ATOM 181 N TYR A 14 11.774 -2.340 -1.921 1.00 0.00 N ATOM 182 CA TYR A 14 12.372 -2.963 -0.732 1.00 0.00 C ATOM 183 C TYR A 14 11.522 -2.749 0.535 1.00 0.00 C ATOM 184 O TYR A 14 11.410 -3.647 1.372 1.00 0.00 O ATOM 185 CB TYR A 14 13.782 -2.387 -0.532 1.00 0.00 C ATOM 186 CG TYR A 14 14.459 -2.857 0.744 1.00 0.00 C ATOM 187 CD1 TYR A 14 15.104 -4.109 0.782 1.00 0.00 C ATOM 188 CD2 TYR A 14 14.395 -2.063 1.907 1.00 0.00 C ATOM 189 CE1 TYR A 14 15.685 -4.568 1.981 1.00 0.00 C ATOM 190 CE2 TYR A 14 14.965 -2.523 3.110 1.00 0.00 C ATOM 191 CZ TYR A 14 15.612 -3.778 3.150 1.00 0.00 C ATOM 192 OH TYR A 14 16.161 -4.217 4.317 1.00 0.00 O ATOM 0 H TYR A 14 12.387 -1.665 -2.378 1.00 0.00 H new ATOM 0 HA TYR A 14 12.419 -4.039 -0.897 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.402 -2.664 -1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.722 -1.299 -0.521 1.00 0.00 H new ATOM 0 HD1 TYR A 14 15.153 -4.718 -0.109 1.00 0.00 H new ATOM 0 HD2 TYR A 14 13.908 -1.100 1.875 1.00 0.00 H new ATOM 0 HE1 TYR A 14 16.186 -5.524 2.006 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.907 -1.916 4.002 1.00 0.00 H new ATOM 0 HH TYR A 14 16.019 -3.547 5.018 1.00 0.00 H new ATOM 202 N GLN A 15 10.869 -1.588 0.666 1.00 0.00 N ATOM 203 CA GLN A 15 9.991 -1.284 1.805 1.00 0.00 C ATOM 204 C GLN A 15 8.704 -2.112 1.734 1.00 0.00 C ATOM 205 O GLN A 15 8.238 -2.627 2.748 1.00 0.00 O ATOM 206 CB GLN A 15 9.662 0.216 1.849 1.00 0.00 C ATOM 207 CG GLN A 15 10.934 1.062 1.999 1.00 0.00 C ATOM 208 CD GLN A 15 10.651 2.558 1.943 1.00 0.00 C ATOM 209 OE1 GLN A 15 10.972 3.231 0.974 1.00 0.00 O ATOM 210 NE2 GLN A 15 10.042 3.137 2.956 1.00 0.00 N ATOM 0 H GLN A 15 10.934 -0.831 -0.015 1.00 0.00 H new ATOM 0 HA GLN A 15 10.519 -1.549 2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.138 0.502 0.937 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.988 0.418 2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.416 0.822 2.947 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.637 0.799 1.208 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.769 2.586 3.770 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.843 4.137 2.927 1.00 0.00 H new ATOM 219 N LEU A 16 8.179 -2.312 0.522 1.00 0.00 N ATOM 220 CA LEU A 16 7.014 -3.169 0.285 1.00 0.00 C ATOM 221 C LEU A 16 7.330 -4.645 0.604 1.00 0.00 C ATOM 222 O LEU A 16 6.535 -5.336 1.241 1.00 0.00 O ATOM 223 CB LEU A 16 6.517 -3.013 -1.168 1.00 0.00 C ATOM 224 CG LEU A 16 6.247 -1.580 -1.642 1.00 0.00 C ATOM 225 CD1 LEU A 16 5.678 -1.589 -3.058 1.00 0.00 C ATOM 226 CD2 LEU A 16 5.281 -0.817 -0.737 1.00 0.00 C ATOM 0 H LEU A 16 8.551 -1.883 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 16 6.218 -2.851 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.256 -3.460 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.599 -3.589 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 16 7.209 -1.068 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.491 -0.565 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.392 -2.059 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.743 -2.150 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.133 0.189 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.324 -1.338 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.695 -0.757 0.269 1.00 0.00 H new ATOM 238 N GLU A 17 8.525 -5.123 0.242 1.00 0.00 N ATOM 239 CA GLU A 17 9.009 -6.455 0.636 1.00 0.00 C ATOM 240 C GLU A 17 9.211 -6.577 2.155 1.00 0.00 C ATOM 241 O GLU A 17 8.908 -7.625 2.731 1.00 0.00 O ATOM 242 CB GLU A 17 10.317 -6.802 -0.097 1.00 0.00 C ATOM 243 CG GLU A 17 10.117 -7.054 -1.595 1.00 0.00 C ATOM 244 CD GLU A 17 11.442 -7.475 -2.261 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.226 -6.593 -2.689 1.00 0.00 O ATOM 246 OE2 GLU A 17 11.710 -8.698 -2.364 1.00 0.00 O1- ATOM 0 H GLU A 17 9.186 -4.599 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 17 8.236 -7.167 0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.029 -5.987 0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.758 -7.688 0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.368 -7.833 -1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.735 -6.151 -2.072 1.00 0.00 H new ATOM 253 N ASN A 18 9.645 -5.510 2.830 1.00 0.00 N ATOM 254 CA ASN A 18 9.746 -5.473 4.290 1.00 0.00 C ATOM 255 C ASN A 18 8.365 -5.512 4.978 1.00 0.00 C ATOM 256 O ASN A 18 8.242 -6.118 6.046 1.00 0.00 O ATOM 257 CB ASN A 18 10.581 -4.245 4.697 1.00 0.00 C ATOM 258 CG ASN A 18 10.860 -4.210 6.189 1.00 0.00 C ATOM 259 OD1 ASN A 18 10.212 -3.508 6.953 1.00 0.00 O ATOM 260 ND2 ASN A 18 11.826 -4.971 6.658 1.00 0.00 N ATOM 0 H ASN A 18 9.937 -4.644 2.377 1.00 0.00 H new ATOM 0 HA ASN A 18 10.254 -6.373 4.636 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.525 -4.253 4.153 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.053 -3.337 4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.033 -4.975 7.657 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.368 -5.557 6.023 1.00 0.00 H new ATOM 267 N TYR A 19 7.310 -4.972 4.353 1.00 0.00 N ATOM 268 CA TYR A 19 5.933 -5.092 4.853 1.00 0.00 C ATOM 269 C TYR A 19 5.393 -6.520 4.690 1.00 0.00 C ATOM 270 O TYR A 19 4.754 -7.040 5.603 1.00 0.00 O ATOM 271 CB TYR A 19 5.015 -4.080 4.145 1.00 0.00 C ATOM 272 CG TYR A 19 5.385 -2.607 4.293 1.00 0.00 C ATOM 273 CD1 TYR A 19 6.011 -2.111 5.457 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.122 -1.726 3.226 1.00 0.00 C ATOM 275 CE1 TYR A 19 6.400 -0.759 5.534 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.536 -0.386 3.284 1.00 0.00 C ATOM 277 CZ TYR A 19 6.179 0.105 4.439 1.00 0.00 C ATOM 278 OH TYR A 19 6.583 1.405 4.489 1.00 0.00 O ATOM 0 H TYR A 19 7.387 -4.440 3.486 1.00 0.00 H new ATOM 0 HA TYR A 19 5.946 -4.867 5.920 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.996 -4.322 3.082 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.001 -4.217 4.522 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.193 -2.771 6.292 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.596 -2.085 2.354 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.868 -0.383 6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.362 0.269 2.443 1.00 0.00 H new ATOM 0 HH TYR A 19 6.351 1.852 3.648 1.00 0.00 H new ATOM 288 N CYS A 20 5.712 -7.180 3.569 1.00 0.00 N ATOM 289 CA CYS A 20 5.409 -8.599 3.339 1.00 0.00 C ATOM 290 C CYS A 20 6.149 -9.524 4.334 1.00 0.00 C ATOM 291 O CYS A 20 5.629 -10.567 4.739 1.00 0.00 O ATOM 292 CB CYS A 20 5.793 -8.922 1.888 1.00 0.00 C ATOM 293 SG CYS A 20 5.424 -10.604 1.321 1.00 0.00 S ATOM 0 H CYS A 20 6.194 -6.738 2.786 1.00 0.00 H new ATOM 0 HA CYS A 20 4.347 -8.778 3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.280 -8.219 1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.862 -8.747 1.769 1.00 0.00 H new ATOM 298 N ASN A 21 7.353 -9.121 4.761 1.00 0.00 N ATOM 299 CA ASN A 21 8.188 -9.804 5.753 1.00 0.00 C ATOM 300 C ASN A 21 8.209 -9.016 7.072 1.00 0.00 C ATOM 301 O ASN A 21 8.795 -9.456 8.070 1.00 0.00 O ATOM 302 CB ASN A 21 9.598 -10.021 5.168 1.00 0.00 C ATOM 303 CG ASN A 21 9.605 -10.961 3.972 1.00 0.00 C ATOM 304 OD1 ASN A 21 9.736 -12.171 4.102 1.00 0.00 O ATOM 305 ND2 ASN A 21 9.459 -10.443 2.774 1.00 0.00 N ATOM 0 H ASN A 21 7.790 -8.270 4.407 1.00 0.00 H new ATOM 0 HA ASN A 21 7.769 -10.783 5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.014 -9.059 4.870 1.00 0.00 H new ATOM 0 HB3 ASN A 21 10.250 -10.423 5.944 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.455 -11.049 1.953 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.350 -9.435 2.664 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 6.955 0.376 -9.723 1.00 0.00 N ATOM 314 CA PHE B 1 5.738 1.192 -9.747 1.00 0.00 C ATOM 315 C PHE B 1 6.013 2.638 -10.203 1.00 0.00 C ATOM 316 O PHE B 1 7.163 3.088 -10.254 1.00 0.00 O ATOM 317 CB PHE B 1 5.063 1.163 -8.364 1.00 0.00 C ATOM 318 CG PHE B 1 4.617 -0.222 -7.932 1.00 0.00 C ATOM 319 CD1 PHE B 1 3.429 -0.776 -8.444 1.00 0.00 C ATOM 320 CD2 PHE B 1 5.413 -0.974 -7.048 1.00 0.00 C ATOM 321 CE1 PHE B 1 3.048 -2.083 -8.087 1.00 0.00 C ATOM 322 CE2 PHE B 1 5.037 -2.281 -6.699 1.00 0.00 C ATOM 323 CZ PHE B 1 3.858 -2.839 -7.221 1.00 0.00 C ATOM 0 H1 PHE B 1 6.877 -0.342 -8.975 1.00 0.00 H new ATOM 0 H2 PHE B 1 7.076 -0.094 -10.643 1.00 0.00 H new ATOM 0 H3 PHE B 1 7.777 0.984 -9.534 1.00 0.00 H new ATOM 0 HA PHE B 1 5.060 0.761 -10.483 1.00 0.00 H new ATOM 0 HB2 PHE B 1 5.757 1.559 -7.623 1.00 0.00 H new ATOM 0 HB3 PHE B 1 4.198 1.826 -8.378 1.00 0.00 H new ATOM 0 HD1 PHE B 1 2.809 -0.197 -9.112 1.00 0.00 H new ATOM 0 HD2 PHE B 1 6.315 -0.545 -6.637 1.00 0.00 H new ATOM 0 HE1 PHE B 1 2.134 -2.505 -8.478 1.00 0.00 H new ATOM 0 HE2 PHE B 1 5.655 -2.859 -6.028 1.00 0.00 H new ATOM 0 HZ PHE B 1 3.574 -3.847 -6.958 1.00 0.00 H new ATOM 333 N VAL B 2 4.947 3.378 -10.530 1.00 0.00 N ATOM 334 CA VAL B 2 5.008 4.798 -10.923 1.00 0.00 C ATOM 335 C VAL B 2 5.510 5.657 -9.751 1.00 0.00 C ATOM 336 O VAL B 2 5.083 5.480 -8.609 1.00 0.00 O ATOM 337 CB VAL B 2 3.633 5.287 -11.431 1.00 0.00 C ATOM 338 CG1 VAL B 2 3.665 6.753 -11.879 1.00 0.00 C ATOM 339 CG2 VAL B 2 3.155 4.459 -12.633 1.00 0.00 C ATOM 0 H VAL B 2 3.998 3.003 -10.530 1.00 0.00 H new ATOM 0 HA VAL B 2 5.717 4.901 -11.744 1.00 0.00 H new ATOM 0 HB VAL B 2 2.954 5.173 -10.586 1.00 0.00 H new ATOM 0 HG11 VAL B 2 2.675 7.049 -12.227 1.00 0.00 H new ATOM 0 HG12 VAL B 2 3.958 7.384 -11.040 1.00 0.00 H new ATOM 0 HG13 VAL B 2 4.385 6.870 -12.689 1.00 0.00 H new ATOM 0 HG21 VAL B 2 2.185 4.828 -12.966 1.00 0.00 H new ATOM 0 HG22 VAL B 2 3.876 4.548 -13.446 1.00 0.00 H new ATOM 0 HG23 VAL B 2 3.064 3.413 -12.341 1.00 0.00 H new ATOM 349 N ASN B 3 6.399 6.617 -10.031 1.00 0.00 N ATOM 350 CA ASN B 3 7.049 7.489 -9.041 1.00 0.00 C ATOM 351 C ASN B 3 6.129 8.658 -8.600 1.00 0.00 C ATOM 352 O ASN B 3 6.489 9.833 -8.702 1.00 0.00 O ATOM 353 CB ASN B 3 8.422 7.908 -9.613 1.00 0.00 C ATOM 354 CG ASN B 3 9.396 8.418 -8.559 1.00 0.00 C ATOM 355 OD1 ASN B 3 10.309 7.724 -8.134 1.00 0.00 O ATOM 356 ND2 ASN B 3 9.243 9.639 -8.104 1.00 0.00 N ATOM 0 H ASN B 3 6.697 6.816 -10.986 1.00 0.00 H new ATOM 0 HA ASN B 3 7.229 6.958 -8.107 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.868 7.055 -10.124 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.271 8.685 -10.362 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.884 10.005 -7.400 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.483 10.222 -8.455 1.00 0.00 H new ATOM 363 N GLN B 4 4.908 8.329 -8.164 1.00 0.00 N ATOM 364 CA GLN B 4 3.835 9.260 -7.775 1.00 0.00 C ATOM 365 C GLN B 4 3.083 8.757 -6.519 1.00 0.00 C ATOM 366 O GLN B 4 1.850 8.786 -6.464 1.00 0.00 O ATOM 367 CB GLN B 4 2.891 9.519 -8.970 1.00 0.00 C ATOM 368 CG GLN B 4 3.563 10.260 -10.142 1.00 0.00 C ATOM 369 CD GLN B 4 2.612 10.569 -11.302 1.00 0.00 C ATOM 370 OE1 GLN B 4 1.434 10.235 -11.316 1.00 0.00 O ATOM 371 NE2 GLN B 4 3.093 11.226 -12.338 1.00 0.00 N ATOM 0 H GLN B 4 4.623 7.354 -8.067 1.00 0.00 H new ATOM 0 HA GLN B 4 4.281 10.216 -7.501 1.00 0.00 H new ATOM 0 HB2 GLN B 4 2.504 8.565 -9.329 1.00 0.00 H new ATOM 0 HB3 GLN B 4 2.036 10.101 -8.626 1.00 0.00 H new ATOM 0 HG2 GLN B 4 3.988 11.194 -9.774 1.00 0.00 H new ATOM 0 HG3 GLN B 4 4.392 9.657 -10.514 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.071 11.515 -12.349 1.00 0.00 H new ATOM 0 HE22 GLN B 4 2.487 11.446 -13.129 1.00 0.00 H new ATOM 380 N HIS B 5 3.845 8.298 -5.512 1.00 0.00 N ATOM 381 CA HIS B 5 3.383 7.777 -4.205 1.00 0.00 C ATOM 382 C HIS B 5 2.573 6.465 -4.267 1.00 0.00 C ATOM 383 O HIS B 5 2.061 6.068 -5.316 1.00 0.00 O ATOM 384 CB HIS B 5 2.648 8.881 -3.415 1.00 0.00 C ATOM 385 CG HIS B 5 3.445 10.151 -3.236 1.00 0.00 C ATOM 386 ND1 HIS B 5 3.639 11.141 -4.206 1.00 0.00 N ATOM 387 CD2 HIS B 5 4.127 10.502 -2.109 1.00 0.00 C ATOM 388 CE1 HIS B 5 4.441 12.058 -3.641 1.00 0.00 C ATOM 389 NE2 HIS B 5 4.739 11.707 -2.381 1.00 0.00 N ATOM 0 H HIS B 5 4.862 8.278 -5.589 1.00 0.00 H new ATOM 0 HA HIS B 5 4.287 7.493 -3.666 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.716 9.120 -3.928 1.00 0.00 H new ATOM 0 HB3 HIS B 5 2.381 8.492 -2.433 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.178 9.946 -1.185 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.796 12.952 -4.132 1.00 0.00 H new ATOM 0 HE2 HIS B 5 5.320 12.241 -1.734 1.00 0.00 H new ATOM 397 N LEU B 6 2.460 5.779 -3.123 1.00 0.00 N ATOM 398 CA LEU B 6 1.656 4.561 -2.937 1.00 0.00 C ATOM 399 C LEU B 6 0.938 4.636 -1.583 1.00 0.00 C ATOM 400 O LEU B 6 1.524 4.369 -0.536 1.00 0.00 O ATOM 401 CB LEU B 6 2.548 3.303 -3.021 1.00 0.00 C ATOM 402 CG LEU B 6 3.104 2.958 -4.415 1.00 0.00 C ATOM 403 CD1 LEU B 6 4.059 1.771 -4.294 1.00 0.00 C ATOM 404 CD2 LEU B 6 1.998 2.572 -5.402 1.00 0.00 C ATOM 0 H LEU B 6 2.942 6.065 -2.271 1.00 0.00 H new ATOM 0 HA LEU B 6 0.913 4.491 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.388 3.432 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.973 2.450 -2.660 1.00 0.00 H new ATOM 0 HG LEU B 6 3.610 3.847 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.456 1.522 -5.278 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.880 2.031 -3.626 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.522 0.912 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.440 2.338 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.463 1.699 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.302 3.404 -5.513 1.00 0.00 H new ATOM 416 N CYS B 7 -0.336 5.020 -1.587 1.00 0.00 N ATOM 417 CA CYS B 7 -1.111 5.237 -0.363 1.00 0.00 C ATOM 418 C CYS B 7 -2.586 4.842 -0.557 1.00 0.00 C ATOM 419 O CYS B 7 -3.096 4.857 -1.682 1.00 0.00 O ATOM 420 CB CYS B 7 -0.930 6.703 0.046 1.00 0.00 C ATOM 421 SG CYS B 7 -1.310 7.073 1.773 1.00 0.00 S ATOM 0 H CYS B 7 -0.865 5.191 -2.442 1.00 0.00 H new ATOM 0 HA CYS B 7 -0.750 4.597 0.442 1.00 0.00 H new ATOM 0 HB2 CYS B 7 0.101 6.994 -0.153 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.564 7.322 -0.589 1.00 0.00 H new ATOM 426 N GLY B 8 -3.272 4.452 0.522 1.00 0.00 N ATOM 427 CA GLY B 8 -4.625 3.882 0.449 1.00 0.00 C ATOM 428 C GLY B 8 -4.661 2.581 -0.365 1.00 0.00 C ATOM 429 O GLY B 8 -3.740 1.762 -0.286 1.00 0.00 O ATOM 0 H GLY B 8 -2.907 4.522 1.472 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.991 3.688 1.457 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.300 4.609 -0.001 1.00 0.00 H new ATOM 433 N SER B 9 -5.701 2.394 -1.182 1.00 0.00 N ATOM 434 CA SER B 9 -5.895 1.194 -2.017 1.00 0.00 C ATOM 435 C SER B 9 -4.714 0.897 -2.954 1.00 0.00 C ATOM 436 O SER B 9 -4.391 -0.269 -3.178 1.00 0.00 O ATOM 437 CB SER B 9 -7.167 1.345 -2.863 1.00 0.00 C ATOM 438 OG SER B 9 -8.291 1.652 -2.048 1.00 0.00 O ATOM 0 H SER B 9 -6.448 3.081 -1.287 1.00 0.00 H new ATOM 0 HA SER B 9 -5.978 0.357 -1.324 1.00 0.00 H new ATOM 0 HB2 SER B 9 -7.024 2.133 -3.602 1.00 0.00 H new ATOM 0 HB3 SER B 9 -7.354 0.422 -3.412 1.00 0.00 H new ATOM 0 HG SER B 9 -9.088 1.745 -2.611 1.00 0.00 H new ATOM 444 N HIS B 10 -4.014 1.926 -3.450 1.00 0.00 N ATOM 445 CA HIS B 10 -2.844 1.767 -4.327 1.00 0.00 C ATOM 446 C HIS B 10 -1.667 1.075 -3.628 1.00 0.00 C ATOM 447 O HIS B 10 -0.949 0.304 -4.265 1.00 0.00 O ATOM 448 CB HIS B 10 -2.417 3.140 -4.867 1.00 0.00 C ATOM 449 CG HIS B 10 -3.488 3.829 -5.679 1.00 0.00 C ATOM 450 ND1 HIS B 10 -4.507 4.638 -5.164 1.00 0.00 N ATOM 451 CD2 HIS B 10 -3.632 3.748 -7.034 1.00 0.00 C ATOM 452 CE1 HIS B 10 -5.238 5.028 -6.223 1.00 0.00 C ATOM 453 NE2 HIS B 10 -4.735 4.509 -7.357 1.00 0.00 N ATOM 0 H HIS B 10 -4.245 2.900 -3.253 1.00 0.00 H new ATOM 0 HA HIS B 10 -3.138 1.118 -5.152 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -2.139 3.780 -4.030 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -1.527 3.018 -5.484 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -3.005 3.196 -7.719 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -6.107 5.668 -6.170 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -5.106 4.654 -8.296 1.00 0.00 H new ATOM 461 N LEU B 11 -1.492 1.285 -2.317 1.00 0.00 N ATOM 462 CA LEU B 11 -0.484 0.581 -1.517 1.00 0.00 C ATOM 463 C LEU B 11 -0.861 -0.891 -1.303 1.00 0.00 C ATOM 464 O LEU B 11 0.005 -1.761 -1.376 1.00 0.00 O ATOM 465 CB LEU B 11 -0.306 1.318 -0.177 1.00 0.00 C ATOM 466 CG LEU B 11 0.806 0.761 0.733 1.00 0.00 C ATOM 467 CD1 LEU B 11 2.190 0.780 0.081 1.00 0.00 C ATOM 468 CD2 LEU B 11 0.874 1.606 2.004 1.00 0.00 C ATOM 0 H LEU B 11 -2.048 1.951 -1.780 1.00 0.00 H new ATOM 0 HA LEU B 11 0.464 0.582 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.094 2.367 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.250 1.284 0.367 1.00 0.00 H new ATOM 0 HG LEU B 11 0.551 -0.278 0.940 1.00 0.00 H new ATOM 0 HD11 LEU B 11 2.925 0.374 0.776 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.174 0.174 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.458 1.805 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.658 1.220 2.656 1.00 0.00 H new ATOM 0 HD22 LEU B 11 1.096 2.640 1.742 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.084 1.561 2.523 1.00 0.00 H new ATOM 480 N VAL B 12 -2.150 -1.182 -1.096 1.00 0.00 N ATOM 481 CA VAL B 12 -2.659 -2.559 -0.967 1.00 0.00 C ATOM 482 C VAL B 12 -2.473 -3.324 -2.280 1.00 0.00 C ATOM 483 O VAL B 12 -1.946 -4.432 -2.268 1.00 0.00 O ATOM 484 CB VAL B 12 -4.138 -2.589 -0.527 1.00 0.00 C ATOM 485 CG1 VAL B 12 -4.612 -4.022 -0.263 1.00 0.00 C ATOM 486 CG2 VAL B 12 -4.369 -1.784 0.759 1.00 0.00 C ATOM 0 H VAL B 12 -2.875 -0.469 -1.012 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.078 -3.050 -0.186 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.702 -2.146 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.657 -4.008 0.045 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.510 -4.613 -1.173 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.007 -4.466 0.527 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.423 -1.831 1.034 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.765 -2.203 1.564 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.083 -0.745 0.594 1.00 0.00 H new ATOM 496 N GLU B 13 -2.815 -2.724 -3.423 1.00 0.00 N ATOM 497 CA GLU B 13 -2.607 -3.329 -4.746 1.00 0.00 C ATOM 498 C GLU B 13 -1.115 -3.523 -5.074 1.00 0.00 C ATOM 499 O GLU B 13 -0.734 -4.569 -5.600 1.00 0.00 O ATOM 500 CB GLU B 13 -3.290 -2.480 -5.830 1.00 0.00 C ATOM 501 CG GLU B 13 -4.819 -2.595 -5.773 1.00 0.00 C ATOM 502 CD GLU B 13 -5.479 -1.754 -6.883 1.00 0.00 C ATOM 503 OE1 GLU B 13 -5.644 -2.266 -8.019 1.00 0.00 O ATOM 504 OE2 GLU B 13 -5.849 -0.582 -6.631 1.00 0.00 O1- ATOM 0 H GLU B 13 -3.246 -1.800 -3.459 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.060 -4.320 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.000 -1.436 -5.709 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -2.939 -2.796 -6.812 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.113 -3.639 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.176 -2.262 -4.799 1.00 0.00 H new ATOM 511 N ALA B 14 -0.246 -2.576 -4.704 1.00 0.00 N ATOM 512 CA ALA B 14 1.201 -2.746 -4.834 1.00 0.00 C ATOM 513 C ALA B 14 1.723 -3.906 -3.964 1.00 0.00 C ATOM 514 O ALA B 14 2.507 -4.730 -4.437 1.00 0.00 O ATOM 515 CB ALA B 14 1.893 -1.420 -4.504 1.00 0.00 C ATOM 0 H ALA B 14 -0.525 -1.678 -4.309 1.00 0.00 H new ATOM 0 HA ALA B 14 1.436 -3.017 -5.863 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.972 -1.539 -4.599 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.551 -0.649 -5.195 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.649 -1.126 -3.483 1.00 0.00 H new ATOM 521 N LEU B 15 1.242 -4.038 -2.722 1.00 0.00 N ATOM 522 CA LEU B 15 1.599 -5.146 -1.832 1.00 0.00 C ATOM 523 C LEU B 15 1.015 -6.494 -2.277 1.00 0.00 C ATOM 524 O LEU B 15 1.666 -7.517 -2.078 1.00 0.00 O ATOM 525 CB LEU B 15 1.207 -4.803 -0.384 1.00 0.00 C ATOM 526 CG LEU B 15 2.166 -3.788 0.260 1.00 0.00 C ATOM 527 CD1 LEU B 15 1.546 -3.177 1.515 1.00 0.00 C ATOM 528 CD2 LEU B 15 3.479 -4.468 0.646 1.00 0.00 C ATOM 0 H LEU B 15 0.590 -3.374 -2.305 1.00 0.00 H new ATOM 0 HA LEU B 15 2.681 -5.270 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.194 -4.400 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.195 -5.716 0.212 1.00 0.00 H new ATOM 0 HG LEU B 15 2.356 -3.002 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.242 -2.462 1.954 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.620 -2.667 1.252 1.00 0.00 H new ATOM 0 HD13 LEU B 15 1.333 -3.966 2.237 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.148 -3.737 1.101 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.279 -5.268 1.358 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.949 -4.884 -0.245 1.00 0.00 H new ATOM 540 N TYR B 16 -0.145 -6.519 -2.938 1.00 0.00 N ATOM 541 CA TYR B 16 -0.695 -7.733 -3.550 1.00 0.00 C ATOM 542 C TYR B 16 0.234 -8.277 -4.653 1.00 0.00 C ATOM 543 O TYR B 16 0.450 -9.486 -4.744 1.00 0.00 O ATOM 544 CB TYR B 16 -2.100 -7.453 -4.112 1.00 0.00 C ATOM 545 CG TYR B 16 -3.248 -7.345 -3.115 1.00 0.00 C ATOM 546 CD1 TYR B 16 -3.036 -7.405 -1.722 1.00 0.00 C ATOM 547 CD2 TYR B 16 -4.563 -7.239 -3.608 1.00 0.00 C ATOM 548 CE1 TYR B 16 -4.125 -7.427 -0.835 1.00 0.00 C ATOM 549 CE2 TYR B 16 -5.658 -7.236 -2.722 1.00 0.00 C ATOM 550 CZ TYR B 16 -5.445 -7.345 -1.332 1.00 0.00 C ATOM 551 OH TYR B 16 -6.508 -7.360 -0.481 1.00 0.00 O ATOM 0 H TYR B 16 -0.732 -5.695 -3.065 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.770 -8.498 -2.777 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.057 -6.522 -4.677 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.343 -8.245 -4.820 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -2.028 -7.434 -1.334 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -4.733 -7.160 -4.672 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.953 -7.507 0.228 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -6.663 -7.150 -3.108 1.00 0.00 H new ATOM 0 HH TYR B 16 -7.340 -7.294 -0.995 1.00 0.00 H new ATOM 561 N LEU B 17 0.841 -7.387 -5.450 1.00 0.00 N ATOM 562 CA LEU B 17 1.827 -7.734 -6.478 1.00 0.00 C ATOM 563 C LEU B 17 3.194 -8.127 -5.883 1.00 0.00 C ATOM 564 O LEU B 17 3.760 -9.148 -6.275 1.00 0.00 O ATOM 565 CB LEU B 17 1.952 -6.554 -7.466 1.00 0.00 C ATOM 566 CG LEU B 17 1.022 -6.660 -8.690 1.00 0.00 C ATOM 567 CD1 LEU B 17 -0.469 -6.731 -8.356 1.00 0.00 C ATOM 568 CD2 LEU B 17 1.242 -5.458 -9.609 1.00 0.00 C ATOM 0 H LEU B 17 0.655 -6.386 -5.395 1.00 0.00 H new ATOM 0 HA LEU B 17 1.477 -8.619 -7.009 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.735 -5.626 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.984 -6.490 -7.811 1.00 0.00 H new ATOM 0 HG LEU B 17 1.287 -7.602 -9.170 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -1.045 -6.804 -9.278 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.662 -7.607 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -0.764 -5.832 -7.814 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.583 -5.536 -10.474 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.021 -4.539 -9.066 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.279 -5.441 -9.944 1.00 0.00 H new ATOM 580 N VAL B 18 3.718 -7.354 -4.924 1.00 0.00 N ATOM 581 CA VAL B 18 5.062 -7.556 -4.334 1.00 0.00 C ATOM 582 C VAL B 18 5.120 -8.779 -3.414 1.00 0.00 C ATOM 583 O VAL B 18 6.086 -9.541 -3.458 1.00 0.00 O ATOM 584 CB VAL B 18 5.513 -6.281 -3.593 1.00 0.00 C ATOM 585 CG1 VAL B 18 6.797 -6.436 -2.769 1.00 0.00 C ATOM 586 CG2 VAL B 18 5.788 -5.184 -4.620 1.00 0.00 C ATOM 0 H VAL B 18 3.220 -6.558 -4.526 1.00 0.00 H new ATOM 0 HA VAL B 18 5.754 -7.753 -5.153 1.00 0.00 H new ATOM 0 HB VAL B 18 4.702 -6.046 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL B 18 7.035 -5.489 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.652 -7.205 -2.010 1.00 0.00 H new ATOM 0 HG13 VAL B 18 7.618 -6.724 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL B 18 6.108 -4.277 -4.107 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.573 -5.512 -5.301 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.879 -4.979 -5.186 1.00 0.00 H new ATOM 596 N CYS B 19 4.074 -8.997 -2.616 1.00 0.00 N ATOM 597 CA CYS B 19 3.959 -10.148 -1.710 1.00 0.00 C ATOM 598 C CYS B 19 3.423 -11.424 -2.409 1.00 0.00 C ATOM 599 O CYS B 19 3.527 -12.525 -1.864 1.00 0.00 O ATOM 600 CB CYS B 19 3.139 -9.710 -0.488 1.00 0.00 C ATOM 601 SG CYS B 19 3.402 -10.636 1.051 1.00 0.00 S ATOM 0 H CYS B 19 3.269 -8.372 -2.578 1.00 0.00 H new ATOM 0 HA CYS B 19 4.950 -10.452 -1.374 1.00 0.00 H new ATOM 0 HB2 CYS B 19 3.355 -8.660 -0.293 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.082 -9.775 -0.747 1.00 0.00 H new ATOM 606 N GLY B 20 2.933 -11.288 -3.649 1.00 0.00 N ATOM 607 CA GLY B 20 2.606 -12.378 -4.576 1.00 0.00 C ATOM 608 C GLY B 20 1.118 -12.740 -4.624 1.00 0.00 C ATOM 609 O GLY B 20 0.496 -13.035 -3.603 1.00 0.00 O ATOM 0 H GLY B 20 2.745 -10.370 -4.051 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.932 -12.098 -5.578 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.174 -13.264 -4.292 1.00 0.00 H new ATOM 613 N GLU B 21 0.553 -12.793 -5.834 1.00 0.00 N ATOM 614 CA GLU B 21 -0.881 -13.029 -6.094 1.00 0.00 C ATOM 615 C GLU B 21 -1.388 -14.395 -5.576 1.00 0.00 C ATOM 616 O GLU B 21 -2.574 -14.556 -5.279 1.00 0.00 O ATOM 617 CB GLU B 21 -1.107 -12.884 -7.610 1.00 0.00 C ATOM 618 CG GLU B 21 -2.582 -12.861 -8.031 1.00 0.00 C ATOM 619 CD GLU B 21 -2.715 -12.645 -9.551 1.00 0.00 C ATOM 620 OE1 GLU B 21 -2.667 -13.641 -10.317 1.00 0.00 O1- ATOM 621 OE2 GLU B 21 -2.878 -11.482 -9.996 1.00 0.00 O ATOM 0 H GLU B 21 1.093 -12.670 -6.690 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.462 -12.292 -5.540 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -0.630 -11.965 -7.950 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.609 -13.709 -8.120 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.060 -13.799 -7.750 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.104 -12.066 -7.499 1.00 0.00 H new ATOM 628 N ARG B 22 -0.487 -15.375 -5.409 1.00 0.00 N ATOM 629 CA ARG B 22 -0.785 -16.707 -4.851 1.00 0.00 C ATOM 630 C ARG B 22 -1.207 -16.672 -3.370 1.00 0.00 C ATOM 631 O ARG B 22 -1.972 -17.536 -2.939 1.00 0.00 O ATOM 632 CB ARG B 22 0.426 -17.619 -5.094 1.00 0.00 C ATOM 633 CG ARG B 22 0.045 -19.100 -4.930 1.00 0.00 C ATOM 634 CD ARG B 22 1.207 -20.023 -5.293 1.00 0.00 C ATOM 635 NE ARG B 22 1.504 -20.017 -6.742 1.00 0.00 N ATOM 636 CZ ARG B 22 2.516 -20.620 -7.341 1.00 0.00 C ATOM 637 NH1 ARG B 22 3.399 -21.317 -6.681 1.00 0.00 N1+ ATOM 638 NH2 ARG B 22 2.663 -20.534 -8.633 1.00 0.00 N ATOM 0 H ARG B 22 0.494 -15.262 -5.664 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.656 -17.110 -5.367 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.817 -17.450 -6.097 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.222 -17.365 -4.394 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -0.260 -19.286 -3.900 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -0.813 -19.328 -5.563 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.096 -19.716 -4.742 1.00 0.00 H new ATOM 0 HD3 ARG B 22 0.971 -21.040 -4.978 1.00 0.00 H new ATOM 0 HE ARG B 22 0.863 -19.495 -7.339 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.321 -21.411 -5.668 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.167 -21.769 -7.178 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.995 -19.999 -9.188 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.446 -21.002 -9.089 1.00 0.00 H new ATOM 652 N GLY B 23 -0.732 -15.683 -2.604 1.00 0.00 N ATOM 653 CA GLY B 23 -1.013 -15.525 -1.166 1.00 0.00 C ATOM 654 C GLY B 23 -1.647 -14.186 -0.756 1.00 0.00 C ATOM 655 O GLY B 23 -2.240 -14.097 0.321 1.00 0.00 O ATOM 0 H GLY B 23 -0.126 -14.950 -2.973 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.676 -16.331 -0.853 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -0.080 -15.648 -0.616 1.00 0.00 H new HETATM 659 N DHI B 24 -1.553 -13.150 -1.596 1.00 0.00 N HETATM 660 CA DHI B 24 -1.963 -11.776 -1.270 1.00 0.00 C HETATM 661 C DHI B 24 -0.904 -11.060 -0.408 1.00 0.00 C HETATM 662 O DHI B 24 0.237 -11.512 -0.299 1.00 0.00 O HETATM 663 CB DHI B 24 -2.254 -11.003 -2.567 1.00 0.00 C HETATM 664 CG DHI B 24 -3.406 -11.508 -3.408 1.00 0.00 C HETATM 665 ND1 DHI B 24 -3.724 -11.027 -4.683 1.00 0.00 N HETATM 666 CD2 DHI B 24 -4.324 -12.460 -3.061 1.00 0.00 C HETATM 667 CE1 DHI B 24 -4.815 -11.705 -5.076 1.00 0.00 C HETATM 668 NE2 DHI B 24 -5.197 -12.571 -4.123 1.00 0.00 N HETATM 0 HE2 DHI B 24 -5.996 -13.203 -4.176 1.00 0.00 H new HETATM 0 HE1 DHI B 24 -5.319 -11.571 -6.033 1.00 0.00 H new HETATM 0 HD2 DHI B 24 -4.359 -13.022 -2.127 1.00 0.00 H new HETATM 0 HD1 DHI B 24 -3.228 -10.307 -5.208 1.00 0.00 H new HETATM 0 HB3 DHI B 24 -2.451 -9.963 -2.308 1.00 0.00 H new HETATM 0 HB2 DHI B 24 -1.353 -11.014 -3.180 1.00 0.00 H new HETATM 0 HA DHI B 24 -2.876 -11.814 -0.675 1.00 0.00 H new ATOM 676 N PHE B 25 -1.281 -9.947 0.231 1.00 0.00 N ATOM 677 CA PHE B 25 -0.465 -9.312 1.277 1.00 0.00 C ATOM 678 C PHE B 25 -0.491 -10.144 2.577 1.00 0.00 C ATOM 679 O PHE B 25 -1.500 -10.772 2.910 1.00 0.00 O ATOM 680 CB PHE B 25 -0.930 -7.864 1.494 1.00 0.00 C ATOM 681 CG PHE B 25 -0.276 -7.127 2.653 1.00 0.00 C ATOM 682 CD1 PHE B 25 1.117 -6.909 2.679 1.00 0.00 C ATOM 683 CD2 PHE B 25 -1.070 -6.638 3.709 1.00 0.00 C ATOM 684 CE1 PHE B 25 1.702 -6.208 3.743 1.00 0.00 C ATOM 685 CE2 PHE B 25 -0.481 -5.934 4.775 1.00 0.00 C ATOM 686 CZ PHE B 25 0.907 -5.716 4.791 1.00 0.00 C ATOM 0 H PHE B 25 -2.157 -9.461 0.040 1.00 0.00 H new ATOM 0 HA PHE B 25 0.575 -9.279 0.953 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -0.745 -7.301 0.579 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -2.008 -7.868 1.653 1.00 0.00 H new ATOM 0 HD1 PHE B 25 1.735 -7.283 1.877 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -2.137 -6.805 3.700 1.00 0.00 H new ATOM 0 HE1 PHE B 25 2.770 -6.046 3.757 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -1.096 -5.561 5.581 1.00 0.00 H new ATOM 0 HZ PHE B 25 1.361 -5.172 5.606 1.00 0.00 H new ATOM 696 N TYR B 26 0.624 -10.146 3.311 1.00 0.00 N ATOM 697 CA TYR B 26 0.846 -10.947 4.519 1.00 0.00 C ATOM 698 C TYR B 26 1.670 -10.175 5.561 1.00 0.00 C ATOM 699 O TYR B 26 2.518 -9.356 5.204 1.00 0.00 O ATOM 700 CB TYR B 26 1.567 -12.247 4.124 1.00 0.00 C ATOM 701 CG TYR B 26 1.848 -13.176 5.291 1.00 0.00 C ATOM 702 CD1 TYR B 26 0.790 -13.900 5.873 1.00 0.00 C ATOM 703 CD2 TYR B 26 3.152 -13.290 5.813 1.00 0.00 C ATOM 704 CE1 TYR B 26 1.035 -14.747 6.970 1.00 0.00 C ATOM 705 CE2 TYR B 26 3.403 -14.148 6.903 1.00 0.00 C ATOM 706 CZ TYR B 26 2.343 -14.880 7.484 1.00 0.00 C ATOM 707 OH TYR B 26 2.575 -15.723 8.529 1.00 0.00 O ATOM 0 H TYR B 26 1.429 -9.567 3.072 1.00 0.00 H new ATOM 0 HA TYR B 26 -0.118 -11.177 4.973 1.00 0.00 H new ATOM 0 HB2 TYR B 26 0.962 -12.777 3.389 1.00 0.00 H new ATOM 0 HB3 TYR B 26 2.510 -11.995 3.639 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -0.210 -13.805 5.477 1.00 0.00 H new ATOM 0 HD2 TYR B 26 3.959 -12.720 5.378 1.00 0.00 H new ATOM 0 HE1 TYR B 26 0.221 -15.296 7.419 1.00 0.00 H new ATOM 0 HE2 TYR B 26 4.405 -14.246 7.294 1.00 0.00 H new ATOM 0 HH TYR B 26 3.527 -15.701 8.762 1.00 0.00 H new ATOM 717 N THR B 27 1.455 -10.479 6.844 1.00 0.00 N ATOM 718 CA THR B 27 2.272 -10.002 7.974 1.00 0.00 C ATOM 719 C THR B 27 2.566 -11.156 8.948 1.00 0.00 C ATOM 720 O THR B 27 1.619 -11.800 9.411 1.00 0.00 O ATOM 721 CB THR B 27 1.597 -8.844 8.737 1.00 0.00 C ATOM 722 OG1 THR B 27 0.260 -9.141 9.092 1.00 0.00 O ATOM 723 CG2 THR B 27 1.561 -7.555 7.917 1.00 0.00 C ATOM 0 H THR B 27 0.686 -11.081 7.139 1.00 0.00 H new ATOM 0 HA THR B 27 3.205 -9.626 7.554 1.00 0.00 H new ATOM 0 HB THR B 27 2.205 -8.710 9.631 1.00 0.00 H new ATOM 0 HG1 THR B 27 0.196 -10.079 9.370 1.00 0.00 H new ATOM 0 HG21 THR B 27 1.077 -6.769 8.496 1.00 0.00 H new ATOM 0 HG22 THR B 27 2.579 -7.251 7.672 1.00 0.00 H new ATOM 0 HG23 THR B 27 1.002 -7.725 6.997 1.00 0.00 H new ATOM 731 N PRO B 28 3.838 -11.428 9.308 1.00 0.00 N ATOM 732 CA PRO B 28 4.192 -12.546 10.193 1.00 0.00 C ATOM 733 C PRO B 28 3.877 -12.296 11.681 1.00 0.00 C ATOM 734 O PRO B 28 3.796 -13.254 12.456 1.00 0.00 O ATOM 735 CB PRO B 28 5.685 -12.787 9.954 1.00 0.00 C ATOM 736 CG PRO B 28 6.213 -11.415 9.542 1.00 0.00 C ATOM 737 CD PRO B 28 5.043 -10.803 8.777 1.00 0.00 C ATOM 0 HA PRO B 28 3.587 -13.421 9.957 1.00 0.00 H new ATOM 0 HB2 PRO B 28 6.180 -13.153 10.853 1.00 0.00 H new ATOM 0 HB3 PRO B 28 5.851 -13.530 9.174 1.00 0.00 H new ATOM 0 HG2 PRO B 28 6.486 -10.813 10.408 1.00 0.00 H new ATOM 0 HG3 PRO B 28 7.103 -11.497 8.918 1.00 0.00 H new ATOM 0 HD2 PRO B 28 5.013 -9.722 8.912 1.00 0.00 H new ATOM 0 HD3 PRO B 28 5.138 -10.988 7.707 1.00 0.00 H new ATOM 745 N LYS B 29 3.682 -11.032 12.091 1.00 0.00 N ATOM 746 CA LYS B 29 3.290 -10.623 13.453 1.00 0.00 C ATOM 747 C LYS B 29 2.360 -9.403 13.416 1.00 0.00 C ATOM 748 O LYS B 29 2.619 -8.446 12.677 1.00 0.00 O ATOM 749 CB LYS B 29 4.564 -10.359 14.280 1.00 0.00 C ATOM 750 CG LYS B 29 4.265 -10.107 15.769 1.00 0.00 C ATOM 751 CD LYS B 29 5.533 -9.883 16.610 1.00 0.00 C ATOM 752 CE LYS B 29 6.406 -11.143 16.702 1.00 0.00 C ATOM 753 NZ LYS B 29 7.587 -10.928 17.577 1.00 0.00 N1+ ATOM 0 H LYS B 29 3.797 -10.237 11.462 1.00 0.00 H new ATOM 0 HA LYS B 29 2.725 -11.424 13.931 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.235 -11.213 14.188 1.00 0.00 H new ATOM 0 HB3 LYS B 29 5.087 -9.496 13.868 1.00 0.00 H new ATOM 0 HG2 LYS B 29 3.617 -9.235 15.861 1.00 0.00 H new ATOM 0 HG3 LYS B 29 3.715 -10.957 16.172 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.116 -9.072 16.174 1.00 0.00 H new ATOM 0 HD3 LYS B 29 5.249 -9.567 17.614 1.00 0.00 H new ATOM 0 HE2 LYS B 29 5.812 -11.971 17.089 1.00 0.00 H new ATOM 0 HE3 LYS B 29 6.739 -11.429 15.704 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 8.154 -11.799 17.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 8.167 -10.155 17.193 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 7.268 -10.679 18.535 1.00 0.00 H new ATOM 767 N THR B 30 1.297 -9.428 14.223 1.00 0.00 N ATOM 768 CA THR B 30 0.291 -8.352 14.364 1.00 0.00 C ATOM 769 C THR B 30 0.743 -7.247 15.321 1.00 0.00 C ATOM 770 O THR B 30 0.877 -7.505 16.540 1.00 0.00 O ATOM 771 CB THR B 30 -1.077 -8.909 14.780 1.00 0.00 C ATOM 772 OG1 THR B 30 -0.943 -9.783 15.882 1.00 0.00 O ATOM 773 CG2 THR B 30 -1.735 -9.686 13.638 1.00 0.00 C ATOM 774 OXT THR B 30 0.992 -6.123 14.833 1.00 0.00 O1- ATOM 0 H THR B 30 1.098 -10.228 14.824 1.00 0.00 H new ATOM 0 HA THR B 30 0.188 -7.899 13.378 1.00 0.00 H new ATOM 0 HB THR B 30 -1.699 -8.055 15.046 1.00 0.00 H new ATOM 0 HG1 THR B 30 -0.321 -9.396 16.533 1.00 0.00 H new ATOM 0 HG21 THR B 30 -2.702 -10.067 13.967 1.00 0.00 H new ATOM 0 HG22 THR B 30 -1.877 -9.025 12.783 1.00 0.00 H new ATOM 0 HG23 THR B 30 -1.096 -10.520 13.350 1.00 0.00 H new TER 782 THR B 30