USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0.579 USER MOD Set 1.2: A 15 GLN : amide:sc= 0.486 K(o=1.1,f=0.12) USER MOD Set 2.1: A 5 GLN : amide:sc= 0.756 K(o=0.78,f=0) USER MOD Set 2.2: A 19 TYR OH : rot 180:sc= 0.0212 USER MOD Single : A 1 GLY N :NH3+ -161:sc= 1.21 (180deg=0.941) USER MOD Single : A 8 THR OG1 : rot 130:sc= 0.398 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.648 K(o=0.65,f=0) USER MOD Single : A 21 ASN : amide:sc= 0.775 K(o=0.78,f=-0.28) USER MOD Single : B 1 PHE N :NH3+ -111:sc= 0.0539 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.793 K(o=0.79,f=-2.7!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 0.0346 X(o=0.035,f=-0.18) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -142:sc= 0.074 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0184 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.614 5.569 -2.956 1.00 0.00 N ATOM 2 CA GLY A 1 -4.525 4.426 -3.895 1.00 0.00 C ATOM 3 C GLY A 1 -3.133 3.810 -3.933 1.00 0.00 C ATOM 4 O GLY A 1 -2.221 4.263 -3.242 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.611 5.747 -2.719 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.086 5.347 -2.088 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.208 6.416 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.248 3.664 -3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.799 4.760 -4.896 1.00 0.00 H new ATOM 10 N ILE A 2 -2.958 2.744 -4.720 1.00 0.00 N ATOM 11 CA ILE A 2 -1.724 1.942 -4.743 1.00 0.00 C ATOM 12 C ILE A 2 -0.546 2.638 -5.447 1.00 0.00 C ATOM 13 O ILE A 2 0.582 2.574 -4.964 1.00 0.00 O ATOM 14 CB ILE A 2 -2.030 0.543 -5.323 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.868 -0.415 -4.998 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.405 0.558 -6.817 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.060 -1.841 -5.509 1.00 0.00 C ATOM 0 H ILE A 2 -3.673 2.408 -5.365 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.383 1.827 -3.714 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.931 0.170 -4.836 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.050 -0.010 -5.425 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.731 -0.445 -3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.606 -0.460 -7.152 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.295 1.170 -6.963 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.580 0.974 -7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.195 -2.445 -5.236 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.957 -2.270 -5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.165 -1.828 -6.594 1.00 0.00 H new ATOM 29 N VAL A 3 -0.789 3.354 -6.553 1.00 0.00 N ATOM 30 CA VAL A 3 0.291 4.000 -7.326 1.00 0.00 C ATOM 31 C VAL A 3 0.963 5.142 -6.558 1.00 0.00 C ATOM 32 O VAL A 3 2.173 5.321 -6.655 1.00 0.00 O ATOM 33 CB VAL A 3 -0.208 4.409 -8.726 1.00 0.00 C ATOM 34 CG1 VAL A 3 -1.136 5.623 -8.721 1.00 0.00 C ATOM 35 CG2 VAL A 3 0.959 4.665 -9.681 1.00 0.00 C ATOM 0 H VAL A 3 -1.723 3.503 -6.936 1.00 0.00 H new ATOM 0 HA VAL A 3 1.081 3.264 -7.476 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.793 3.559 -9.076 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.445 5.849 -9.742 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.016 5.406 -8.115 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.610 6.481 -8.302 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.573 4.951 -10.659 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.582 5.468 -9.287 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.556 3.758 -9.778 1.00 0.00 H new ATOM 45 N GLU A 4 0.212 5.826 -5.693 1.00 0.00 N ATOM 46 CA GLU A 4 0.715 6.884 -4.798 1.00 0.00 C ATOM 47 C GLU A 4 1.693 6.356 -3.730 1.00 0.00 C ATOM 48 O GLU A 4 2.411 7.141 -3.112 1.00 0.00 O ATOM 49 CB GLU A 4 -0.477 7.568 -4.104 1.00 0.00 C ATOM 50 CG GLU A 4 -1.439 8.254 -5.083 1.00 0.00 C ATOM 51 CD GLU A 4 -2.671 8.791 -4.334 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.561 7.976 -3.989 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.759 10.019 -4.085 1.00 0.00 O ATOM 0 H GLU A 4 -0.789 5.660 -5.589 1.00 0.00 H new ATOM 0 HA GLU A 4 1.268 7.592 -5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.027 6.825 -3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.101 8.308 -3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.929 9.072 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.752 7.547 -5.851 1.00 0.00 H new ATOM 60 N GLN A 5 1.729 5.034 -3.523 1.00 0.00 N ATOM 61 CA GLN A 5 2.628 4.337 -2.597 1.00 0.00 C ATOM 62 C GLN A 5 3.786 3.658 -3.339 1.00 0.00 C ATOM 63 O GLN A 5 4.957 3.929 -3.065 1.00 0.00 O ATOM 64 CB GLN A 5 1.808 3.307 -1.795 1.00 0.00 C ATOM 65 CG GLN A 5 0.806 3.944 -0.821 1.00 0.00 C ATOM 66 CD GLN A 5 -0.172 2.892 -0.288 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.049 2.246 0.730 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.273 2.671 -0.972 1.00 0.00 N ATOM 0 H GLN A 5 1.106 4.395 -4.017 1.00 0.00 H new ATOM 0 HA GLN A 5 3.073 5.063 -1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.268 2.664 -2.490 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.491 2.668 -1.235 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.341 4.405 0.009 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.255 4.738 -1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.463 3.205 -1.820 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.938 1.965 -0.655 1.00 0.00 H new ATOM 77 N CYS A 6 3.475 2.800 -4.315 1.00 0.00 N ATOM 78 CA CYS A 6 4.465 1.917 -4.948 1.00 0.00 C ATOM 79 C CYS A 6 5.323 2.594 -6.026 1.00 0.00 C ATOM 80 O CYS A 6 6.490 2.229 -6.188 1.00 0.00 O ATOM 81 CB CYS A 6 3.741 0.678 -5.480 1.00 0.00 C ATOM 82 SG CYS A 6 2.649 -0.150 -4.289 1.00 0.00 S ATOM 0 H CYS A 6 2.532 2.696 -4.690 1.00 0.00 H new ATOM 0 HA CYS A 6 5.189 1.631 -4.185 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.151 0.967 -6.350 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.486 -0.039 -5.825 1.00 0.00 H new ATOM 87 N CYS A 7 4.803 3.623 -6.699 1.00 0.00 N ATOM 88 CA CYS A 7 5.593 4.445 -7.618 1.00 0.00 C ATOM 89 C CYS A 7 6.535 5.384 -6.838 1.00 0.00 C ATOM 90 O CYS A 7 7.685 5.598 -7.230 1.00 0.00 O ATOM 91 CB CYS A 7 4.619 5.228 -8.513 1.00 0.00 C ATOM 92 SG CYS A 7 5.326 6.065 -9.952 1.00 0.00 S ATOM 0 H CYS A 7 3.827 3.909 -6.623 1.00 0.00 H new ATOM 0 HA CYS A 7 6.228 3.815 -8.241 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.852 4.538 -8.864 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.118 5.975 -7.897 1.00 0.00 H new ATOM 97 N THR A 8 6.064 5.917 -5.704 1.00 0.00 N ATOM 98 CA THR A 8 6.749 6.947 -4.901 1.00 0.00 C ATOM 99 C THR A 8 7.820 6.377 -3.964 1.00 0.00 C ATOM 100 O THR A 8 8.916 6.932 -3.881 1.00 0.00 O ATOM 101 CB THR A 8 5.716 7.731 -4.066 1.00 0.00 C ATOM 102 OG1 THR A 8 4.630 8.126 -4.880 1.00 0.00 O ATOM 103 CG2 THR A 8 6.285 9.008 -3.445 1.00 0.00 C ATOM 0 H THR A 8 5.168 5.637 -5.304 1.00 0.00 H new ATOM 0 HA THR A 8 7.256 7.602 -5.609 1.00 0.00 H new ATOM 0 HB THR A 8 5.410 7.053 -3.270 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.788 7.874 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.507 9.511 -2.871 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.115 8.753 -2.786 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.639 9.670 -4.235 1.00 0.00 H new ATOM 111 N SER A 9 7.529 5.253 -3.292 1.00 0.00 N ATOM 112 CA SER A 9 8.350 4.711 -2.193 1.00 0.00 C ATOM 113 C SER A 9 8.665 3.205 -2.284 1.00 0.00 C ATOM 114 O SER A 9 9.288 2.667 -1.365 1.00 0.00 O ATOM 115 CB SER A 9 7.654 5.004 -0.853 1.00 0.00 C ATOM 116 OG SER A 9 7.390 6.392 -0.693 1.00 0.00 O ATOM 0 H SER A 9 6.707 4.686 -3.497 1.00 0.00 H new ATOM 0 HA SER A 9 9.314 5.213 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.719 4.447 -0.798 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.281 4.655 -0.033 1.00 0.00 H new ATOM 0 HG SER A 9 6.946 6.543 0.167 1.00 0.00 H new ATOM 122 N ILE A 10 8.291 2.533 -3.385 1.00 0.00 N ATOM 123 CA ILE A 10 8.400 1.069 -3.601 1.00 0.00 C ATOM 124 C ILE A 10 7.469 0.250 -2.674 1.00 0.00 C ATOM 125 O ILE A 10 7.150 0.661 -1.556 1.00 0.00 O ATOM 126 CB ILE A 10 9.878 0.575 -3.594 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.819 1.524 -4.380 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.988 -0.858 -4.152 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.279 1.063 -4.491 1.00 0.00 C ATOM 0 H ILE A 10 7.885 3.011 -4.189 1.00 0.00 H new ATOM 0 HA ILE A 10 8.032 0.880 -4.609 1.00 0.00 H new ATOM 0 HB ILE A 10 10.200 0.575 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.419 1.653 -5.386 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.801 2.503 -3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.030 -1.176 -4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.392 -1.534 -3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.619 -0.878 -5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.850 1.797 -5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.706 0.964 -3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.319 0.100 -5.000 1.00 0.00 H new ATOM 141 N CYS A 11 7.012 -0.916 -3.148 1.00 0.00 N ATOM 142 CA CYS A 11 6.164 -1.855 -2.401 1.00 0.00 C ATOM 143 C CYS A 11 6.708 -3.289 -2.404 1.00 0.00 C ATOM 144 O CYS A 11 7.255 -3.771 -3.397 1.00 0.00 O ATOM 145 CB CYS A 11 4.753 -1.845 -2.995 1.00 0.00 C ATOM 146 SG CYS A 11 3.807 -0.347 -2.635 1.00 0.00 S ATOM 0 H CYS A 11 7.228 -1.242 -4.090 1.00 0.00 H new ATOM 0 HA CYS A 11 6.152 -1.521 -1.364 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.825 -1.964 -4.076 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.205 -2.707 -2.615 1.00 0.00 H new ATOM 151 N SER A 12 6.500 -3.981 -1.286 1.00 0.00 N ATOM 152 CA SER A 12 6.706 -5.423 -1.109 1.00 0.00 C ATOM 153 C SER A 12 5.457 -6.198 -1.536 1.00 0.00 C ATOM 154 O SER A 12 4.334 -5.686 -1.492 1.00 0.00 O ATOM 155 CB SER A 12 7.045 -5.716 0.356 1.00 0.00 C ATOM 156 OG SER A 12 6.017 -5.228 1.209 1.00 0.00 O ATOM 0 H SER A 12 6.166 -3.531 -0.434 1.00 0.00 H new ATOM 0 HA SER A 12 7.536 -5.745 -1.738 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.167 -6.790 0.500 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.995 -5.249 0.617 1.00 0.00 H new ATOM 0 HG SER A 12 6.246 -5.423 2.142 1.00 0.00 H new ATOM 162 N LEU A 13 5.620 -7.464 -1.907 1.00 0.00 N ATOM 163 CA LEU A 13 4.504 -8.325 -2.303 1.00 0.00 C ATOM 164 C LEU A 13 3.429 -8.474 -1.209 1.00 0.00 C ATOM 165 O LEU A 13 2.243 -8.569 -1.516 1.00 0.00 O ATOM 166 CB LEU A 13 5.071 -9.671 -2.782 1.00 0.00 C ATOM 167 CG LEU A 13 5.622 -10.659 -1.733 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.054 -11.931 -2.459 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.847 -10.152 -0.964 1.00 0.00 C ATOM 0 H LEU A 13 6.529 -7.925 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 13 3.970 -7.852 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.284 -10.182 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.873 -9.459 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 13 4.820 -10.812 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.448 -12.646 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.196 -12.367 -2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.827 -11.689 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.167 -10.910 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.657 -9.949 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.589 -9.236 -0.432 1.00 0.00 H new ATOM 181 N TYR A 14 3.821 -8.377 0.066 1.00 0.00 N ATOM 182 CA TYR A 14 2.920 -8.434 1.220 1.00 0.00 C ATOM 183 C TYR A 14 1.923 -7.262 1.287 1.00 0.00 C ATOM 184 O TYR A 14 0.806 -7.441 1.777 1.00 0.00 O ATOM 185 CB TYR A 14 3.764 -8.483 2.504 1.00 0.00 C ATOM 186 CG TYR A 14 4.830 -9.565 2.524 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.469 -10.916 2.343 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.184 -9.215 2.695 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.461 -11.916 2.332 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.177 -10.213 2.692 1.00 0.00 C ATOM 191 CZ TYR A 14 6.818 -11.567 2.510 1.00 0.00 C ATOM 192 OH TYR A 14 7.768 -12.541 2.494 1.00 0.00 O ATOM 0 H TYR A 14 4.799 -8.254 0.330 1.00 0.00 H new ATOM 0 HA TYR A 14 2.315 -9.334 1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.246 -7.515 2.643 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.098 -8.632 3.354 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.431 -11.184 2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.461 -8.180 2.829 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.184 -12.950 2.187 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.214 -9.943 2.829 1.00 0.00 H new ATOM 0 HH TYR A 14 8.651 -12.139 2.629 1.00 0.00 H new ATOM 202 N GLN A 15 2.285 -6.085 0.753 1.00 0.00 N ATOM 203 CA GLN A 15 1.369 -4.941 0.609 1.00 0.00 C ATOM 204 C GLN A 15 0.699 -4.862 -0.781 1.00 0.00 C ATOM 205 O GLN A 15 -0.195 -4.043 -0.979 1.00 0.00 O ATOM 206 CB GLN A 15 2.024 -3.642 1.106 1.00 0.00 C ATOM 207 CG GLN A 15 3.014 -2.991 0.134 1.00 0.00 C ATOM 208 CD GLN A 15 3.923 -1.986 0.843 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.651 -0.797 0.929 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.038 -2.429 1.386 1.00 0.00 N ATOM 0 H GLN A 15 3.226 -5.899 0.407 1.00 0.00 H new ATOM 0 HA GLN A 15 0.519 -5.106 1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.237 -2.922 1.333 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.544 -3.852 2.041 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.622 -3.763 -0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.465 -2.487 -0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.278 -3.418 1.322 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.661 -1.783 1.870 1.00 0.00 H new ATOM 219 N LEU A 16 1.070 -5.743 -1.724 1.00 0.00 N ATOM 220 CA LEU A 16 0.335 -5.940 -2.985 1.00 0.00 C ATOM 221 C LEU A 16 -0.822 -6.939 -2.774 1.00 0.00 C ATOM 222 O LEU A 16 -1.907 -6.751 -3.318 1.00 0.00 O ATOM 223 CB LEU A 16 1.266 -6.406 -4.126 1.00 0.00 C ATOM 224 CG LEU A 16 2.450 -5.493 -4.493 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.002 -5.903 -5.856 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.097 -4.016 -4.598 1.00 0.00 C ATOM 0 H LEU A 16 1.891 -6.341 -1.633 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.080 -4.978 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.666 -7.384 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.659 -6.546 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 16 3.167 -5.615 -3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.841 -5.258 -6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.340 -6.939 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.220 -5.806 -6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.989 -3.447 -4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.338 -3.877 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.711 -3.665 -3.641 1.00 0.00 H new ATOM 238 N GLU A 17 -0.642 -7.939 -1.900 1.00 0.00 N ATOM 239 CA GLU A 17 -1.704 -8.871 -1.465 1.00 0.00 C ATOM 240 C GLU A 17 -2.924 -8.170 -0.832 1.00 0.00 C ATOM 241 O GLU A 17 -4.032 -8.706 -0.865 1.00 0.00 O ATOM 242 CB GLU A 17 -1.133 -9.912 -0.489 1.00 0.00 C ATOM 243 CG GLU A 17 -0.336 -11.005 -1.207 1.00 0.00 C ATOM 244 CD GLU A 17 0.107 -12.096 -0.212 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.162 -11.934 0.450 1.00 0.00 O ATOM 246 OE2 GLU A 17 -0.603 -13.124 -0.082 1.00 0.00 O ATOM 0 H GLU A 17 0.260 -8.130 -1.465 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.064 -9.362 -2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.490 -9.413 0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.949 -10.369 0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.945 -11.449 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.539 -10.568 -1.689 1.00 0.00 H new ATOM 253 N ASN A 18 -2.748 -6.946 -0.330 1.00 0.00 N ATOM 254 CA ASN A 18 -3.824 -6.067 0.143 1.00 0.00 C ATOM 255 C ASN A 18 -4.893 -5.774 -0.935 1.00 0.00 C ATOM 256 O ASN A 18 -6.052 -5.520 -0.602 1.00 0.00 O ATOM 257 CB ASN A 18 -3.156 -4.761 0.611 1.00 0.00 C ATOM 258 CG ASN A 18 -4.146 -3.756 1.182 1.00 0.00 C ATOM 259 OD1 ASN A 18 -4.663 -3.912 2.279 1.00 0.00 O ATOM 260 ND2 ASN A 18 -4.446 -2.702 0.458 1.00 0.00 N ATOM 0 H ASN A 18 -1.824 -6.524 -0.238 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.361 -6.563 0.951 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.407 -4.994 1.367 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.630 -4.307 -0.229 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.110 -2.013 0.811 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.014 -2.572 -0.457 1.00 0.00 H new ATOM 267 N TYR A 19 -4.506 -5.814 -2.213 1.00 0.00 N ATOM 268 CA TYR A 19 -5.344 -5.470 -3.366 1.00 0.00 C ATOM 269 C TYR A 19 -5.852 -6.692 -4.150 1.00 0.00 C ATOM 270 O TYR A 19 -6.734 -6.534 -4.997 1.00 0.00 O ATOM 271 CB TYR A 19 -4.546 -4.529 -4.276 1.00 0.00 C ATOM 272 CG TYR A 19 -4.180 -3.202 -3.638 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.995 -3.077 -2.890 1.00 0.00 C ATOM 274 CD2 TYR A 19 -5.027 -2.091 -3.797 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.695 -1.863 -2.242 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.726 -0.870 -3.168 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.566 -0.760 -2.367 1.00 0.00 C ATOM 278 OH TYR A 19 -3.275 0.410 -1.737 1.00 0.00 O ATOM 0 H TYR A 19 -3.564 -6.098 -2.484 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.243 -4.980 -2.992 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.631 -5.033 -4.587 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.127 -4.337 -5.178 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.315 -3.912 -2.813 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.915 -2.176 -4.406 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.797 -1.776 -1.649 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.379 -0.019 -3.296 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.976 1.067 -1.927 1.00 0.00 H new ATOM 288 N CYS A 20 -5.342 -7.903 -3.881 1.00 0.00 N ATOM 289 CA CYS A 20 -5.823 -9.141 -4.506 1.00 0.00 C ATOM 290 C CYS A 20 -7.263 -9.493 -4.077 1.00 0.00 C ATOM 291 O CYS A 20 -7.706 -9.152 -2.974 1.00 0.00 O ATOM 292 CB CYS A 20 -4.867 -10.304 -4.191 1.00 0.00 C ATOM 293 SG CYS A 20 -3.136 -10.110 -4.693 1.00 0.00 S ATOM 0 H CYS A 20 -4.580 -8.050 -3.220 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.842 -8.974 -5.583 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.890 -10.478 -3.115 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.259 -11.202 -4.668 1.00 0.00 H new ATOM 298 N ASN A 21 -7.981 -10.207 -4.951 1.00 0.00 N ATOM 299 CA ASN A 21 -9.341 -10.731 -4.730 1.00 0.00 C ATOM 300 C ASN A 21 -9.430 -11.647 -3.486 1.00 0.00 C ATOM 301 O ASN A 21 -8.626 -12.602 -3.384 1.00 0.00 O ATOM 302 CB ASN A 21 -9.760 -11.428 -6.045 1.00 0.00 C ATOM 303 CG ASN A 21 -11.157 -12.028 -6.084 1.00 0.00 C ATOM 304 OD1 ASN A 21 -12.025 -11.776 -5.262 1.00 0.00 O ATOM 305 ND2 ASN A 21 -11.428 -12.824 -7.094 1.00 0.00 N ATOM 306 OXT ASN A 21 -10.291 -11.395 -2.612 1.00 0.00 O ATOM 0 H ASN A 21 -7.618 -10.448 -5.873 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.038 -9.925 -4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.678 -10.704 -6.855 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.043 -12.222 -6.253 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.360 -13.228 -7.189 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.707 -13.037 -7.783 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 10.308 -11.905 -7.473 1.00 0.00 N ATOM 315 CA PHE B 1 9.489 -10.683 -7.264 1.00 0.00 C ATOM 316 C PHE B 1 10.291 -9.421 -7.629 1.00 0.00 C ATOM 317 O PHE B 1 11.522 -9.446 -7.607 1.00 0.00 O ATOM 318 CB PHE B 1 8.933 -10.622 -5.823 1.00 0.00 C ATOM 319 CG PHE B 1 8.062 -9.412 -5.546 1.00 0.00 C ATOM 320 CD1 PHE B 1 6.839 -9.256 -6.231 1.00 0.00 C ATOM 321 CD2 PHE B 1 8.501 -8.407 -4.662 1.00 0.00 C ATOM 322 CE1 PHE B 1 6.072 -8.092 -6.044 1.00 0.00 C ATOM 323 CE2 PHE B 1 7.721 -7.257 -4.460 1.00 0.00 C ATOM 324 CZ PHE B 1 6.506 -7.100 -5.149 1.00 0.00 C ATOM 0 H1 PHE B 1 9.927 -12.445 -8.276 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.292 -11.633 -7.674 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.280 -12.493 -6.615 1.00 0.00 H new ATOM 0 HA PHE B 1 8.629 -10.728 -7.933 1.00 0.00 H new ATOM 0 HB2 PHE B 1 8.354 -11.525 -5.630 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.768 -10.623 -5.122 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.492 -10.030 -6.899 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.439 -8.521 -4.139 1.00 0.00 H new ATOM 0 HE1 PHE B 1 5.149 -7.961 -6.589 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.055 -6.492 -3.774 1.00 0.00 H new ATOM 0 HZ PHE B 1 5.906 -6.216 -4.990 1.00 0.00 H new ATOM 336 N VAL B 2 9.610 -8.317 -7.968 1.00 0.00 N ATOM 337 CA VAL B 2 10.216 -7.031 -8.381 1.00 0.00 C ATOM 338 C VAL B 2 9.917 -5.902 -7.389 1.00 0.00 C ATOM 339 O VAL B 2 8.795 -5.772 -6.911 1.00 0.00 O ATOM 340 CB VAL B 2 9.800 -6.628 -9.814 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.410 -7.587 -10.843 1.00 0.00 C ATOM 342 CG2 VAL B 2 8.280 -6.590 -10.041 1.00 0.00 C ATOM 0 H VAL B 2 8.590 -8.288 -7.964 1.00 0.00 H new ATOM 0 HA VAL B 2 11.294 -7.190 -8.380 1.00 0.00 H new ATOM 0 HB VAL B 2 10.179 -5.614 -9.942 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.106 -7.287 -11.846 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.497 -7.556 -10.769 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.062 -8.601 -10.647 1.00 0.00 H new ATOM 0 HG21 VAL B 2 8.073 -6.299 -11.071 1.00 0.00 H new ATOM 0 HG22 VAL B 2 7.859 -7.577 -9.852 1.00 0.00 H new ATOM 0 HG23 VAL B 2 7.829 -5.867 -9.362 1.00 0.00 H new ATOM 352 N ASN B 3 10.917 -5.067 -7.093 1.00 0.00 N ATOM 353 CA ASN B 3 10.822 -3.948 -6.141 1.00 0.00 C ATOM 354 C ASN B 3 11.638 -2.727 -6.631 1.00 0.00 C ATOM 355 O ASN B 3 12.607 -2.305 -6.004 1.00 0.00 O ATOM 356 CB ASN B 3 11.161 -4.435 -4.715 1.00 0.00 C ATOM 357 CG ASN B 3 12.522 -5.102 -4.550 1.00 0.00 C ATOM 358 OD1 ASN B 3 13.501 -4.505 -4.123 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.622 -6.381 -4.841 1.00 0.00 N ATOM 0 H ASN B 3 11.841 -5.150 -7.518 1.00 0.00 H new ATOM 0 HA ASN B 3 9.795 -3.585 -6.091 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.110 -3.582 -4.038 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.391 -5.139 -4.399 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.510 -6.866 -4.710 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.812 -6.888 -5.198 1.00 0.00 H new ATOM 366 N GLN B 4 11.252 -2.173 -7.791 1.00 0.00 N ATOM 367 CA GLN B 4 11.962 -1.080 -8.488 1.00 0.00 C ATOM 368 C GLN B 4 11.004 0.041 -8.957 1.00 0.00 C ATOM 369 O GLN B 4 10.803 0.236 -10.156 1.00 0.00 O ATOM 370 CB GLN B 4 12.784 -1.662 -9.657 1.00 0.00 C ATOM 371 CG GLN B 4 13.815 -2.715 -9.217 1.00 0.00 C ATOM 372 CD GLN B 4 14.773 -3.085 -10.350 1.00 0.00 C ATOM 373 OE1 GLN B 4 15.919 -2.656 -10.402 1.00 0.00 O ATOM 374 NE2 GLN B 4 14.351 -3.888 -11.305 1.00 0.00 N ATOM 0 H GLN B 4 10.415 -2.479 -8.287 1.00 0.00 H new ATOM 0 HA GLN B 4 12.643 -0.608 -7.780 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.104 -2.111 -10.381 1.00 0.00 H new ATOM 0 HB3 GLN B 4 13.301 -0.849 -10.167 1.00 0.00 H new ATOM 0 HG2 GLN B 4 14.385 -2.333 -8.370 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.296 -3.610 -8.874 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.400 -4.256 -11.279 1.00 0.00 H new ATOM 0 HE22 GLN B 4 14.975 -4.142 -12.070 1.00 0.00 H new ATOM 383 N HIS B 5 10.390 0.762 -8.008 1.00 0.00 N ATOM 384 CA HIS B 5 9.452 1.881 -8.256 1.00 0.00 C ATOM 385 C HIS B 5 8.352 1.538 -9.289 1.00 0.00 C ATOM 386 O HIS B 5 8.216 2.192 -10.327 1.00 0.00 O ATOM 387 CB HIS B 5 10.224 3.171 -8.590 1.00 0.00 C ATOM 388 CG HIS B 5 10.907 3.809 -7.410 1.00 0.00 C ATOM 389 ND1 HIS B 5 10.341 4.737 -6.567 1.00 0.00 N ATOM 390 CD2 HIS B 5 12.209 3.650 -7.013 1.00 0.00 C ATOM 391 CE1 HIS B 5 11.269 5.125 -5.680 1.00 0.00 C ATOM 392 NE2 HIS B 5 12.432 4.486 -5.909 1.00 0.00 N ATOM 0 H HIS B 5 10.533 0.582 -7.014 1.00 0.00 H new ATOM 0 HA HIS B 5 8.905 2.061 -7.331 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.972 2.946 -9.350 1.00 0.00 H new ATOM 0 HB3 HIS B 5 9.532 3.891 -9.027 1.00 0.00 H new ATOM 0 HD1 HIS B 5 9.379 5.073 -6.609 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.936 2.995 -7.470 1.00 0.00 H new ATOM 0 HE1 HIS B 5 11.107 5.847 -4.894 1.00 0.00 H new ATOM 400 N LEU B 6 7.583 0.474 -9.023 1.00 0.00 N ATOM 401 CA LEU B 6 6.574 -0.039 -9.955 1.00 0.00 C ATOM 402 C LEU B 6 5.424 0.969 -10.082 1.00 0.00 C ATOM 403 O LEU B 6 4.840 1.394 -9.086 1.00 0.00 O ATOM 404 CB LEU B 6 6.054 -1.426 -9.528 1.00 0.00 C ATOM 405 CG LEU B 6 7.068 -2.587 -9.426 1.00 0.00 C ATOM 406 CD1 LEU B 6 8.128 -2.599 -10.527 1.00 0.00 C ATOM 407 CD2 LEU B 6 7.763 -2.622 -8.069 1.00 0.00 C ATOM 0 H LEU B 6 7.644 -0.055 -8.153 1.00 0.00 H new ATOM 0 HA LEU B 6 7.043 -0.165 -10.931 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.574 -1.317 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU B 6 5.278 -1.723 -10.234 1.00 0.00 H new ATOM 0 HG LEU B 6 6.457 -3.480 -9.554 1.00 0.00 H new ATOM 0 HD11 LEU B 6 8.797 -3.446 -10.378 1.00 0.00 H new ATOM 0 HD12 LEU B 6 7.642 -2.686 -11.499 1.00 0.00 H new ATOM 0 HD13 LEU B 6 8.701 -1.673 -10.490 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.467 -3.454 -8.042 1.00 0.00 H new ATOM 0 HD22 LEU B 6 8.300 -1.687 -7.911 1.00 0.00 H new ATOM 0 HD23 LEU B 6 7.019 -2.750 -7.283 1.00 0.00 H new ATOM 419 N CYS B 7 5.115 1.358 -11.319 1.00 0.00 N ATOM 420 CA CYS B 7 4.212 2.463 -11.631 1.00 0.00 C ATOM 421 C CYS B 7 3.428 2.186 -12.922 1.00 0.00 C ATOM 422 O CYS B 7 3.981 1.621 -13.872 1.00 0.00 O ATOM 423 CB CYS B 7 5.074 3.726 -11.773 1.00 0.00 C ATOM 424 SG CYS B 7 4.234 5.304 -11.497 1.00 0.00 S ATOM 0 H CYS B 7 5.494 0.903 -12.149 1.00 0.00 H new ATOM 0 HA CYS B 7 3.475 2.589 -10.838 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.905 3.654 -11.072 1.00 0.00 H new ATOM 0 HB3 CYS B 7 5.502 3.737 -12.775 1.00 0.00 H new ATOM 429 N GLY B 8 2.146 2.563 -12.967 1.00 0.00 N ATOM 430 CA GLY B 8 1.292 2.321 -14.135 1.00 0.00 C ATOM 431 C GLY B 8 1.182 0.833 -14.480 1.00 0.00 C ATOM 432 O GLY B 8 1.004 -0.013 -13.597 1.00 0.00 O ATOM 0 H GLY B 8 1.673 3.041 -12.200 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.296 2.721 -13.943 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.693 2.861 -14.993 1.00 0.00 H new ATOM 436 N SER B 9 1.376 0.495 -15.757 1.00 0.00 N ATOM 437 CA SER B 9 1.414 -0.893 -16.253 1.00 0.00 C ATOM 438 C SER B 9 2.373 -1.812 -15.486 1.00 0.00 C ATOM 439 O SER B 9 2.096 -3.003 -15.355 1.00 0.00 O ATOM 440 CB SER B 9 1.830 -0.899 -17.731 1.00 0.00 C ATOM 441 OG SER B 9 0.947 -0.104 -18.508 1.00 0.00 O ATOM 0 H SER B 9 1.514 1.187 -16.493 1.00 0.00 H new ATOM 0 HA SER B 9 0.407 -1.284 -16.107 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.848 -0.521 -17.828 1.00 0.00 H new ATOM 0 HB3 SER B 9 1.833 -1.922 -18.108 1.00 0.00 H new ATOM 0 HG SER B 9 1.231 -0.120 -19.446 1.00 0.00 H new ATOM 447 N HIS B 10 3.466 -1.286 -14.918 1.00 0.00 N ATOM 448 CA HIS B 10 4.424 -2.074 -14.131 1.00 0.00 C ATOM 449 C HIS B 10 3.885 -2.457 -12.745 1.00 0.00 C ATOM 450 O HIS B 10 4.256 -3.497 -12.198 1.00 0.00 O ATOM 451 CB HIS B 10 5.729 -1.287 -13.975 1.00 0.00 C ATOM 452 CG HIS B 10 6.287 -0.801 -15.281 1.00 0.00 C ATOM 453 ND1 HIS B 10 6.167 0.469 -15.797 1.00 0.00 N ATOM 454 CD2 HIS B 10 6.953 -1.560 -16.201 1.00 0.00 C ATOM 455 CE1 HIS B 10 6.765 0.481 -17.001 1.00 0.00 C ATOM 456 NE2 HIS B 10 7.262 -0.739 -17.293 1.00 0.00 N ATOM 0 H HIS B 10 3.712 -0.299 -14.992 1.00 0.00 H new ATOM 0 HA HIS B 10 4.599 -3.002 -14.674 1.00 0.00 H new ATOM 0 HB2 HIS B 10 5.554 -0.432 -13.322 1.00 0.00 H new ATOM 0 HB3 HIS B 10 6.469 -1.918 -13.483 1.00 0.00 H new ATOM 0 HD1 HIS B 10 5.707 1.260 -15.347 1.00 0.00 H new ATOM 0 HD2 HIS B 10 7.198 -2.607 -16.104 1.00 0.00 H new ATOM 0 HE1 HIS B 10 6.837 1.346 -17.644 1.00 0.00 H new ATOM 464 N LEU B 11 2.988 -1.646 -12.180 1.00 0.00 N ATOM 465 CA LEU B 11 2.311 -1.921 -10.913 1.00 0.00 C ATOM 466 C LEU B 11 1.125 -2.876 -11.109 1.00 0.00 C ATOM 467 O LEU B 11 0.896 -3.755 -10.280 1.00 0.00 O ATOM 468 CB LEU B 11 1.919 -0.576 -10.292 1.00 0.00 C ATOM 469 CG LEU B 11 1.353 -0.639 -8.866 1.00 0.00 C ATOM 470 CD1 LEU B 11 2.217 -1.433 -7.883 1.00 0.00 C ATOM 471 CD2 LEU B 11 1.249 0.798 -8.359 1.00 0.00 C ATOM 0 H LEU B 11 2.707 -0.760 -12.601 1.00 0.00 H new ATOM 0 HA LEU B 11 2.974 -2.442 -10.222 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.797 0.070 -10.286 1.00 0.00 H new ATOM 0 HB3 LEU B 11 1.179 -0.102 -10.936 1.00 0.00 H new ATOM 0 HG LEU B 11 0.393 -1.153 -8.916 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.747 -1.429 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.316 -2.460 -8.233 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.204 -0.976 -7.815 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.849 0.798 -7.345 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.238 1.256 -8.359 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.585 1.367 -9.010 1.00 0.00 H new ATOM 483 N VAL B 12 0.438 -2.773 -12.249 1.00 0.00 N ATOM 484 CA VAL B 12 -0.571 -3.753 -12.698 1.00 0.00 C ATOM 485 C VAL B 12 0.097 -5.114 -12.944 1.00 0.00 C ATOM 486 O VAL B 12 -0.417 -6.147 -12.525 1.00 0.00 O ATOM 487 CB VAL B 12 -1.284 -3.243 -13.969 1.00 0.00 C ATOM 488 CG1 VAL B 12 -2.322 -4.232 -14.508 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.026 -1.930 -13.692 1.00 0.00 C ATOM 0 H VAL B 12 0.564 -1.998 -12.900 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.324 -3.877 -11.919 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.493 -3.108 -14.706 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.789 -3.818 -15.401 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.832 -5.173 -14.758 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.084 -4.409 -13.749 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.520 -1.592 -14.603 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.772 -2.091 -12.913 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.315 -1.173 -13.362 1.00 0.00 H new ATOM 499 N GLU B 13 1.293 -5.123 -13.542 1.00 0.00 N ATOM 500 CA GLU B 13 2.127 -6.317 -13.735 1.00 0.00 C ATOM 501 C GLU B 13 2.628 -6.912 -12.402 1.00 0.00 C ATOM 502 O GLU B 13 2.593 -8.132 -12.227 1.00 0.00 O ATOM 503 CB GLU B 13 3.284 -5.949 -14.681 1.00 0.00 C ATOM 504 CG GLU B 13 4.296 -7.070 -14.916 1.00 0.00 C ATOM 505 CD GLU B 13 5.242 -6.730 -16.087 1.00 0.00 C ATOM 506 OE1 GLU B 13 6.248 -6.011 -15.874 1.00 0.00 O ATOM 507 OE2 GLU B 13 4.990 -7.187 -17.229 1.00 0.00 O ATOM 0 H GLU B 13 1.721 -4.276 -13.916 1.00 0.00 H new ATOM 0 HA GLU B 13 1.525 -7.106 -14.185 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.868 -5.646 -15.642 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.808 -5.084 -14.274 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.879 -7.233 -14.010 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.769 -8.000 -15.128 1.00 0.00 H new ATOM 514 N ALA B 14 3.024 -6.082 -11.427 1.00 0.00 N ATOM 515 CA ALA B 14 3.410 -6.563 -10.100 1.00 0.00 C ATOM 516 C ALA B 14 2.225 -7.183 -9.335 1.00 0.00 C ATOM 517 O ALA B 14 2.371 -8.236 -8.715 1.00 0.00 O ATOM 518 CB ALA B 14 4.029 -5.399 -9.327 1.00 0.00 C ATOM 0 H ALA B 14 3.084 -5.070 -11.537 1.00 0.00 H new ATOM 0 HA ALA B 14 4.141 -7.364 -10.211 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.324 -5.738 -8.334 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.906 -5.033 -9.861 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.299 -4.595 -9.234 1.00 0.00 H new ATOM 524 N LEU B 15 1.033 -6.575 -9.429 1.00 0.00 N ATOM 525 CA LEU B 15 -0.196 -7.143 -8.875 1.00 0.00 C ATOM 526 C LEU B 15 -0.573 -8.461 -9.565 1.00 0.00 C ATOM 527 O LEU B 15 -0.844 -9.445 -8.882 1.00 0.00 O ATOM 528 CB LEU B 15 -1.344 -6.122 -8.986 1.00 0.00 C ATOM 529 CG LEU B 15 -1.404 -5.100 -7.836 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.382 -3.989 -8.214 1.00 0.00 C ATOM 531 CD2 LEU B 15 -1.888 -5.739 -6.536 1.00 0.00 C ATOM 0 H LEU B 15 0.898 -5.676 -9.892 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.020 -7.368 -7.823 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.244 -5.584 -9.929 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.290 -6.661 -9.025 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.398 -4.711 -7.679 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.433 -3.259 -7.406 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.041 -3.499 -9.126 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.371 -4.416 -8.380 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.917 -4.986 -5.749 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.887 -6.149 -6.682 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.206 -6.539 -6.248 1.00 0.00 H new ATOM 543 N TYR B 16 -0.516 -8.533 -10.898 1.00 0.00 N ATOM 544 CA TYR B 16 -0.744 -9.765 -11.667 1.00 0.00 C ATOM 545 C TYR B 16 0.206 -10.903 -11.253 1.00 0.00 C ATOM 546 O TYR B 16 -0.231 -12.045 -11.091 1.00 0.00 O ATOM 547 CB TYR B 16 -0.608 -9.425 -13.157 1.00 0.00 C ATOM 548 CG TYR B 16 -0.808 -10.593 -14.099 1.00 0.00 C ATOM 549 CD1 TYR B 16 -2.102 -10.916 -14.556 1.00 0.00 C ATOM 550 CD2 TYR B 16 0.300 -11.355 -14.521 1.00 0.00 C ATOM 551 CE1 TYR B 16 -2.287 -11.993 -15.441 1.00 0.00 C ATOM 552 CE2 TYR B 16 0.114 -12.442 -15.397 1.00 0.00 C ATOM 553 CZ TYR B 16 -1.180 -12.760 -15.863 1.00 0.00 C ATOM 554 OH TYR B 16 -1.340 -13.803 -16.723 1.00 0.00 O ATOM 0 H TYR B 16 -0.307 -7.725 -11.485 1.00 0.00 H new ATOM 0 HA TYR B 16 -1.747 -10.138 -11.458 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.332 -8.649 -13.405 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.382 -9.004 -13.329 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -2.951 -10.336 -14.226 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.291 -11.105 -14.173 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.277 -12.234 -15.798 1.00 0.00 H new ATOM 0 HE2 TYR B 16 0.962 -13.032 -15.712 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.469 -14.215 -16.904 1.00 0.00 H new ATOM 564 N LEU B 17 1.487 -10.595 -11.010 1.00 0.00 N ATOM 565 CA LEU B 17 2.509 -11.553 -10.575 1.00 0.00 C ATOM 566 C LEU B 17 2.227 -12.110 -9.165 1.00 0.00 C ATOM 567 O LEU B 17 2.447 -13.297 -8.917 1.00 0.00 O ATOM 568 CB LEU B 17 3.880 -10.847 -10.651 1.00 0.00 C ATOM 569 CG LEU B 17 5.087 -11.709 -10.239 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.278 -12.919 -11.152 1.00 0.00 C ATOM 571 CD2 LEU B 17 6.360 -10.861 -10.291 1.00 0.00 C ATOM 0 H LEU B 17 1.849 -9.647 -11.114 1.00 0.00 H new ATOM 0 HA LEU B 17 2.499 -12.421 -11.234 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.035 -10.499 -11.672 1.00 0.00 H new ATOM 0 HB3 LEU B 17 3.851 -9.963 -10.014 1.00 0.00 H new ATOM 0 HG LEU B 17 4.893 -12.071 -9.229 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.142 -13.494 -10.818 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.388 -13.547 -11.115 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.440 -12.581 -12.175 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.215 -11.470 -9.999 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.508 -10.489 -11.305 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.264 -10.019 -9.606 1.00 0.00 H new ATOM 583 N VAL B 18 1.720 -11.272 -8.256 1.00 0.00 N ATOM 584 CA VAL B 18 1.445 -11.631 -6.850 1.00 0.00 C ATOM 585 C VAL B 18 0.079 -12.300 -6.667 1.00 0.00 C ATOM 586 O VAL B 18 -0.025 -13.299 -5.953 1.00 0.00 O ATOM 587 CB VAL B 18 1.608 -10.386 -5.957 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.118 -10.591 -4.519 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.090 -10.005 -5.892 1.00 0.00 C ATOM 0 H VAL B 18 1.482 -10.305 -8.475 1.00 0.00 H new ATOM 0 HA VAL B 18 2.175 -12.379 -6.542 1.00 0.00 H new ATOM 0 HB VAL B 18 0.997 -9.605 -6.409 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.265 -9.673 -3.950 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.058 -10.847 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL B 18 1.682 -11.400 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.212 -9.124 -5.261 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.661 -10.834 -5.473 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.454 -9.786 -6.896 1.00 0.00 H new ATOM 599 N CYS B 19 -0.964 -11.796 -7.326 1.00 0.00 N ATOM 600 CA CYS B 19 -2.331 -12.312 -7.206 1.00 0.00 C ATOM 601 C CYS B 19 -2.586 -13.588 -8.036 1.00 0.00 C ATOM 602 O CYS B 19 -3.568 -14.286 -7.790 1.00 0.00 O ATOM 603 CB CYS B 19 -3.333 -11.207 -7.563 1.00 0.00 C ATOM 604 SG CYS B 19 -3.152 -9.636 -6.668 1.00 0.00 S ATOM 0 H CYS B 19 -0.884 -11.007 -7.967 1.00 0.00 H new ATOM 0 HA CYS B 19 -2.470 -12.611 -6.167 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.252 -11.004 -8.631 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.339 -11.587 -7.386 1.00 0.00 H new ATOM 609 N GLY B 20 -1.721 -13.910 -9.007 1.00 0.00 N ATOM 610 CA GLY B 20 -1.723 -15.193 -9.731 1.00 0.00 C ATOM 611 C GLY B 20 -3.009 -15.472 -10.519 1.00 0.00 C ATOM 612 O GLY B 20 -3.625 -16.524 -10.353 1.00 0.00 O ATOM 0 H GLY B 20 -0.986 -13.276 -9.319 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -0.878 -15.209 -10.420 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -1.567 -16.001 -9.016 1.00 0.00 H new ATOM 616 N GLU B 21 -3.437 -14.509 -11.343 1.00 0.00 N ATOM 617 CA GLU B 21 -4.670 -14.542 -12.167 1.00 0.00 C ATOM 618 C GLU B 21 -6.006 -14.622 -11.387 1.00 0.00 C ATOM 619 O GLU B 21 -7.074 -14.779 -11.993 1.00 0.00 O ATOM 620 CB GLU B 21 -4.577 -15.604 -13.282 1.00 0.00 C ATOM 621 CG GLU B 21 -3.339 -15.452 -14.172 1.00 0.00 C ATOM 622 CD GLU B 21 -3.386 -16.443 -15.349 1.00 0.00 C ATOM 623 OE1 GLU B 21 -3.961 -16.098 -16.410 1.00 0.00 O ATOM 624 OE2 GLU B 21 -2.854 -17.574 -15.227 1.00 0.00 O ATOM 0 H GLU B 21 -2.915 -13.641 -11.466 1.00 0.00 H new ATOM 0 HA GLU B 21 -4.710 -13.556 -12.629 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.569 -16.595 -12.828 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -5.470 -15.545 -13.904 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.282 -14.432 -14.552 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.438 -15.623 -13.582 1.00 0.00 H new ATOM 631 N ARG B 22 -5.990 -14.459 -10.052 1.00 0.00 N ATOM 632 CA ARG B 22 -7.198 -14.422 -9.194 1.00 0.00 C ATOM 633 C ARG B 22 -8.009 -13.118 -9.332 1.00 0.00 C ATOM 634 O ARG B 22 -9.172 -13.065 -8.922 1.00 0.00 O ATOM 635 CB ARG B 22 -6.754 -14.651 -7.740 1.00 0.00 C ATOM 636 CG ARG B 22 -7.870 -15.184 -6.823 1.00 0.00 C ATOM 637 CD ARG B 22 -7.618 -14.803 -5.361 1.00 0.00 C ATOM 638 NE ARG B 22 -6.360 -15.353 -4.821 1.00 0.00 N ATOM 639 CZ ARG B 22 -5.764 -14.950 -3.713 1.00 0.00 C ATOM 640 NH1 ARG B 22 -6.256 -14.009 -2.959 1.00 0.00 N ATOM 641 NH2 ARG B 22 -4.643 -15.496 -3.339 1.00 0.00 N ATOM 0 H ARG B 22 -5.124 -14.347 -9.525 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.876 -15.211 -9.520 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -5.923 -15.356 -7.731 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -6.380 -13.712 -7.332 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -8.831 -14.783 -7.145 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.931 -16.269 -6.913 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -7.598 -13.717 -5.275 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -8.451 -15.156 -4.753 1.00 0.00 H new ATOM 0 HE ARG B 22 -5.914 -16.106 -5.346 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -7.132 -13.555 -3.217 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -5.765 -13.726 -2.111 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -4.224 -16.236 -3.902 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -4.184 -15.184 -2.483 1.00 0.00 H new ATOM 655 N GLY B 23 -7.405 -12.072 -9.902 1.00 0.00 N ATOM 656 CA GLY B 23 -7.953 -10.713 -9.991 1.00 0.00 C ATOM 657 C GLY B 23 -7.556 -9.816 -8.812 1.00 0.00 C ATOM 658 O GLY B 23 -7.129 -10.296 -7.756 1.00 0.00 O ATOM 0 H GLY B 23 -6.483 -12.150 -10.332 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -7.613 -10.252 -10.919 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.040 -10.771 -10.044 1.00 0.00 H new ATOM 662 N PHE B 24 -7.660 -8.502 -9.013 1.00 0.00 N ATOM 663 CA PHE B 24 -7.257 -7.464 -8.054 1.00 0.00 C ATOM 664 C PHE B 24 -7.919 -6.106 -8.341 1.00 0.00 C ATOM 665 O PHE B 24 -8.396 -5.853 -9.452 1.00 0.00 O ATOM 666 CB PHE B 24 -5.724 -7.317 -8.074 1.00 0.00 C ATOM 667 CG PHE B 24 -5.102 -7.103 -9.444 1.00 0.00 C ATOM 668 CD1 PHE B 24 -5.039 -5.814 -10.006 1.00 0.00 C ATOM 669 CD2 PHE B 24 -4.573 -8.200 -10.152 1.00 0.00 C ATOM 670 CE1 PHE B 24 -4.442 -5.620 -11.264 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.995 -8.006 -11.417 1.00 0.00 C ATOM 672 CZ PHE B 24 -3.920 -6.718 -11.965 1.00 0.00 C ATOM 0 H PHE B 24 -8.040 -8.114 -9.877 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.594 -7.779 -7.066 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.449 -6.478 -7.435 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.285 -8.211 -7.632 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.450 -4.972 -9.469 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.612 -9.190 -9.722 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.385 -4.629 -11.690 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.608 -8.850 -11.968 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.459 -6.570 -12.930 1.00 0.00 H new ATOM 682 N PHE B 25 -7.907 -5.217 -7.344 1.00 0.00 N ATOM 683 CA PHE B 25 -8.284 -3.806 -7.491 1.00 0.00 C ATOM 684 C PHE B 25 -7.061 -2.935 -7.825 1.00 0.00 C ATOM 685 O PHE B 25 -5.975 -3.138 -7.280 1.00 0.00 O ATOM 686 CB PHE B 25 -8.998 -3.313 -6.225 1.00 0.00 C ATOM 687 CG PHE B 25 -9.451 -1.867 -6.318 1.00 0.00 C ATOM 688 CD1 PHE B 25 -10.604 -1.542 -7.055 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.688 -0.837 -5.731 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.997 -0.198 -7.198 1.00 0.00 C ATOM 691 CE2 PHE B 25 -9.079 0.508 -5.873 1.00 0.00 C ATOM 692 CZ PHE B 25 -10.236 0.825 -6.606 1.00 0.00 C ATOM 0 H PHE B 25 -7.630 -5.461 -6.393 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.977 -3.719 -8.328 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.864 -3.947 -6.034 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.328 -3.423 -5.372 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.189 -2.326 -7.512 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.799 -1.081 -5.169 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.884 0.048 -7.763 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.492 1.294 -5.420 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.540 1.856 -6.714 1.00 0.00 H new ATOM 702 N TYR B 26 -7.230 -1.951 -8.709 1.00 0.00 N ATOM 703 CA TYR B 26 -6.205 -0.986 -9.099 1.00 0.00 C ATOM 704 C TYR B 26 -6.850 0.360 -9.498 1.00 0.00 C ATOM 705 O TYR B 26 -8.022 0.403 -9.883 1.00 0.00 O ATOM 706 CB TYR B 26 -5.398 -1.606 -10.249 1.00 0.00 C ATOM 707 CG TYR B 26 -4.303 -0.711 -10.771 1.00 0.00 C ATOM 708 CD1 TYR B 26 -3.060 -0.670 -10.122 1.00 0.00 C ATOM 709 CD2 TYR B 26 -4.568 0.144 -11.855 1.00 0.00 C ATOM 710 CE1 TYR B 26 -2.079 0.246 -10.546 1.00 0.00 C ATOM 711 CE2 TYR B 26 -3.589 1.065 -12.276 1.00 0.00 C ATOM 712 CZ TYR B 26 -2.345 1.129 -11.613 1.00 0.00 C ATOM 713 OH TYR B 26 -1.406 2.047 -11.972 1.00 0.00 O ATOM 0 H TYR B 26 -8.117 -1.800 -9.190 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.537 -0.769 -8.266 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.958 -2.543 -9.908 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.076 -1.851 -11.067 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -2.856 -1.339 -9.299 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.520 0.095 -12.364 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -1.119 0.273 -10.052 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.791 1.724 -13.108 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.847 2.885 -12.224 1.00 0.00 H new ATOM 723 N THR B 27 -6.092 1.461 -9.422 1.00 0.00 N ATOM 724 CA THR B 27 -6.552 2.816 -9.787 1.00 0.00 C ATOM 725 C THR B 27 -5.450 3.664 -10.445 1.00 0.00 C ATOM 726 O THR B 27 -4.261 3.427 -10.223 1.00 0.00 O ATOM 727 CB THR B 27 -7.167 3.521 -8.565 1.00 0.00 C ATOM 728 OG1 THR B 27 -7.776 4.728 -8.970 1.00 0.00 O ATOM 729 CG2 THR B 27 -6.166 3.834 -7.446 1.00 0.00 C ATOM 0 H THR B 27 -5.124 1.440 -9.100 1.00 0.00 H new ATOM 0 HA THR B 27 -7.328 2.703 -10.544 1.00 0.00 H new ATOM 0 HB THR B 27 -7.892 2.819 -8.154 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.168 5.174 -8.191 1.00 0.00 H new ATOM 0 HG21 THR B 27 -6.682 4.330 -6.624 1.00 0.00 H new ATOM 0 HG22 THR B 27 -5.720 2.907 -7.087 1.00 0.00 H new ATOM 0 HG23 THR B 27 -5.383 4.488 -7.830 1.00 0.00 H new ATOM 737 N LYS B 28 -5.857 4.654 -11.256 1.00 0.00 N ATOM 738 CA LYS B 28 -5.016 5.563 -12.063 1.00 0.00 C ATOM 739 C LYS B 28 -4.018 4.842 -13.002 1.00 0.00 C ATOM 740 O LYS B 28 -2.806 4.854 -12.760 1.00 0.00 O ATOM 741 CB LYS B 28 -4.390 6.623 -11.138 1.00 0.00 C ATOM 742 CG LYS B 28 -3.783 7.802 -11.922 1.00 0.00 C ATOM 743 CD LYS B 28 -3.176 8.866 -10.995 1.00 0.00 C ATOM 744 CE LYS B 28 -4.241 9.627 -10.196 1.00 0.00 C ATOM 745 NZ LYS B 28 -3.643 10.724 -9.387 1.00 0.00 N ATOM 0 H LYS B 28 -6.849 4.857 -11.376 1.00 0.00 H new ATOM 0 HA LYS B 28 -5.654 6.082 -12.778 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.151 6.999 -10.453 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -3.615 6.158 -10.529 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.013 7.429 -12.597 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -4.555 8.260 -12.541 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -2.481 8.388 -10.304 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -2.598 9.574 -11.589 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -4.982 10.041 -10.880 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -4.766 8.935 -9.538 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -4.393 11.216 -8.861 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -2.954 10.326 -8.717 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -3.163 11.398 -10.017 1.00 0.00 H new ATOM 759 N PRO B 29 -4.501 4.207 -14.086 1.00 0.00 N ATOM 760 CA PRO B 29 -3.654 3.610 -15.126 1.00 0.00 C ATOM 761 C PRO B 29 -2.957 4.665 -16.009 1.00 0.00 C ATOM 762 O PRO B 29 -3.448 5.787 -16.186 1.00 0.00 O ATOM 763 CB PRO B 29 -4.590 2.705 -15.936 1.00 0.00 C ATOM 764 CG PRO B 29 -5.940 3.413 -15.821 1.00 0.00 C ATOM 765 CD PRO B 29 -5.908 4.023 -14.418 1.00 0.00 C ATOM 0 HA PRO B 29 -2.830 3.049 -14.686 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -4.268 2.617 -16.974 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -4.628 1.695 -15.527 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -6.058 4.178 -16.588 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -6.770 2.715 -15.936 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -6.441 4.974 -14.395 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -6.395 3.367 -13.697 1.00 0.00 H new ATOM 773 N THR B 30 -1.808 4.283 -16.572 1.00 0.00 N ATOM 774 CA THR B 30 -0.981 5.081 -17.503 1.00 0.00 C ATOM 775 C THR B 30 -1.425 4.952 -18.963 1.00 0.00 C ATOM 776 O THR B 30 -1.721 3.822 -19.418 1.00 0.00 O ATOM 777 CB THR B 30 0.507 4.726 -17.371 1.00 0.00 C ATOM 778 OG1 THR B 30 0.684 3.322 -17.284 1.00 0.00 O ATOM 779 CG2 THR B 30 1.114 5.355 -16.114 1.00 0.00 C ATOM 780 OXT THR B 30 -1.472 5.992 -19.660 1.00 0.00 O ATOM 0 H THR B 30 -1.403 3.365 -16.387 1.00 0.00 H new ATOM 0 HA THR B 30 -1.127 6.122 -17.213 1.00 0.00 H new ATOM 0 HB THR B 30 1.006 5.114 -18.259 1.00 0.00 H new ATOM 0 HG1 THR B 30 1.639 3.117 -17.202 1.00 0.00 H new ATOM 0 HG21 THR B 30 2.168 5.087 -16.046 1.00 0.00 H new ATOM 0 HG22 THR B 30 1.018 6.439 -16.167 1.00 0.00 H new ATOM 0 HG23 THR B 30 0.588 4.987 -15.233 1.00 0.00 H new TER 788 THR B 30