USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 380 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 15 GLN :FLIP amide:sc= 1.12 F(o=-2,f=2.3) USER MOD Set 1.2: A 19 TYR OH : rot 23:sc= 1.22 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.267 K(o=-0.27,f=-3.4!) USER MOD Single : A 8 HIS : no HD1:sc= -0.0814 X(o=-0.081,f=-0.061) USER MOD Single : A 9 SER OG : rot 180:sc= 0.365 USER MOD Single : A 12 SER OG : rot 173:sc= -0.676 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -2.76! C(o=-2.8!,f=-5.7!) USER MOD Single : B 1 PHE N :NH3+ -156:sc= 0.0193 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc= 0.0733 K(o=0.073,f=-4.2!) USER MOD Single : B 5 HIS : no HD1:sc= -2.12! C(o=-2.1!,f=-5!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.101 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 -36:sc= 1.48 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.360 2.695 3.460 1.00 0.00 N ATOM 2 CA GLY A 1 -5.044 1.975 3.751 1.00 0.00 C ATOM 3 C GLY A 1 -4.439 1.101 2.706 1.00 0.00 C ATOM 4 O GLY A 1 -4.070 -0.028 2.965 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.639 3.258 4.289 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.238 3.323 2.640 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.100 1.995 3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.306 2.735 4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.196 1.363 4.640 1.00 0.00 H new ATOM 10 N LEU A 2 -4.320 1.594 1.504 1.00 0.00 N ATOM 11 CA LEU A 2 -3.722 0.773 0.415 1.00 0.00 C ATOM 12 C LEU A 2 -3.255 1.694 -0.713 1.00 0.00 C ATOM 13 O LEU A 2 -2.163 1.560 -1.228 1.00 0.00 O ATOM 14 CB LEU A 2 -4.768 -0.204 -0.124 1.00 0.00 C ATOM 15 CG LEU A 2 -4.173 -1.004 -1.284 1.00 0.00 C ATOM 16 CD1 LEU A 2 -3.197 -2.045 -0.738 1.00 0.00 C ATOM 17 CD2 LEU A 2 -5.296 -1.709 -2.046 1.00 0.00 C ATOM 0 H LEU A 2 -4.612 2.532 1.229 1.00 0.00 H new ATOM 0 HA LEU A 2 -2.873 0.213 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -5.092 -0.879 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.650 0.341 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.645 -0.329 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -2.773 -2.615 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.396 -1.543 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -3.725 -2.720 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.872 -2.279 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.825 -2.384 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.993 -0.967 -2.436 1.00 0.00 H new ATOM 29 N LEU A 3 -4.073 2.635 -1.096 1.00 0.00 N ATOM 30 CA LEU A 3 -3.680 3.571 -2.185 1.00 0.00 C ATOM 31 C LEU A 3 -3.415 4.945 -1.577 1.00 0.00 C ATOM 32 O LEU A 3 -2.663 5.739 -2.103 1.00 0.00 O ATOM 33 CB LEU A 3 -4.809 3.685 -3.219 1.00 0.00 C ATOM 34 CG LEU A 3 -5.675 2.421 -3.202 1.00 0.00 C ATOM 35 CD1 LEU A 3 -7.018 2.714 -3.872 1.00 0.00 C ATOM 36 CD2 LEU A 3 -4.962 1.304 -3.967 1.00 0.00 C ATOM 0 H LEU A 3 -4.999 2.796 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.784 3.196 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.424 4.558 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.387 3.832 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.841 2.110 -2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.634 1.815 -3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.528 3.511 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.850 3.025 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.578 0.405 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.797 1.617 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.003 1.094 -3.494 1.00 0.00 H new ATOM 48 N GLU A 4 -4.031 5.229 -0.469 1.00 0.00 N ATOM 49 CA GLU A 4 -3.822 6.551 0.184 1.00 0.00 C ATOM 50 C GLU A 4 -2.386 6.643 0.705 1.00 0.00 C ATOM 51 O GLU A 4 -1.896 7.710 1.016 1.00 0.00 O ATOM 52 CB GLU A 4 -4.800 6.706 1.350 1.00 0.00 C ATOM 53 CG GLU A 4 -5.812 7.805 1.023 1.00 0.00 C ATOM 54 CD GLU A 4 -7.231 7.262 1.202 1.00 0.00 C ATOM 55 OE1 GLU A 4 -7.424 6.078 0.976 1.00 0.00 O ATOM 56 OE2 GLU A 4 -8.101 8.038 1.562 1.00 0.00 O ATOM 0 H GLU A 4 -4.673 4.602 0.016 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.995 7.345 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.317 5.764 1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.258 6.955 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.655 8.664 1.675 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.670 8.152 -0.001 1.00 0.00 H new ATOM 63 N GLN A 5 -1.709 5.532 0.808 1.00 0.00 N ATOM 64 CA GLN A 5 -0.306 5.558 1.312 1.00 0.00 C ATOM 65 C GLN A 5 0.665 5.353 0.149 1.00 0.00 C ATOM 66 O GLN A 5 1.783 5.830 0.169 1.00 0.00 O ATOM 67 CB GLN A 5 -0.115 4.440 2.338 1.00 0.00 C ATOM 68 CG GLN A 5 0.938 4.860 3.365 1.00 0.00 C ATOM 69 CD GLN A 5 1.751 3.635 3.790 1.00 0.00 C ATOM 70 OE1 GLN A 5 1.641 2.583 3.195 1.00 0.00 O ATOM 71 NE2 GLN A 5 2.569 3.729 4.803 1.00 0.00 N ATOM 0 H GLN A 5 -2.066 4.608 0.565 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.108 6.523 1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.060 4.226 2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.196 3.523 1.838 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.596 5.617 2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.456 5.309 4.233 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.662 4.613 5.303 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.115 2.918 5.094 1.00 0.00 H new ATOM 80 N CYS A 6 0.247 4.647 -0.860 1.00 0.00 N ATOM 81 CA CYS A 6 1.145 4.405 -2.026 1.00 0.00 C ATOM 82 C CYS A 6 0.705 5.273 -3.207 1.00 0.00 C ATOM 83 O CYS A 6 1.503 5.648 -4.043 1.00 0.00 O ATOM 84 CB CYS A 6 1.084 2.928 -2.422 1.00 0.00 C ATOM 85 SG CYS A 6 0.964 1.906 -0.934 1.00 0.00 S ATOM 0 H CYS A 6 -0.679 4.225 -0.931 1.00 0.00 H new ATOM 0 HA CYS A 6 2.168 4.664 -1.752 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.225 2.749 -3.068 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.973 2.657 -2.991 1.00 0.00 H new ATOM 90 N CYS A 7 -0.554 5.605 -3.280 1.00 0.00 N ATOM 91 CA CYS A 7 -1.035 6.457 -4.402 1.00 0.00 C ATOM 92 C CYS A 7 -0.773 7.918 -4.049 1.00 0.00 C ATOM 93 O CYS A 7 -0.553 8.749 -4.907 1.00 0.00 O ATOM 94 CB CYS A 7 -2.535 6.238 -4.611 1.00 0.00 C ATOM 95 SG CYS A 7 -2.953 6.514 -6.350 1.00 0.00 S ATOM 0 H CYS A 7 -1.270 5.323 -2.611 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.510 6.195 -5.320 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.809 5.225 -4.317 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.104 6.919 -3.977 1.00 0.00 H new ATOM 100 N HIS A 8 -0.782 8.232 -2.783 1.00 0.00 N ATOM 101 CA HIS A 8 -0.523 9.632 -2.359 1.00 0.00 C ATOM 102 C HIS A 8 0.944 9.758 -1.940 1.00 0.00 C ATOM 103 O HIS A 8 1.477 10.844 -1.816 1.00 0.00 O ATOM 104 CB HIS A 8 -1.427 9.987 -1.176 1.00 0.00 C ATOM 105 CG HIS A 8 -1.195 11.418 -0.779 1.00 0.00 C ATOM 106 ND1 HIS A 8 -1.758 12.459 -1.485 1.00 0.00 N ATOM 107 CD2 HIS A 8 -0.469 11.963 0.245 1.00 0.00 C ATOM 108 CE1 HIS A 8 -1.365 13.590 -0.881 1.00 0.00 C ATOM 109 NE2 HIS A 8 -0.574 13.335 0.182 1.00 0.00 N ATOM 0 H HIS A 8 -0.958 7.575 -2.023 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.733 10.313 -3.184 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.472 9.838 -1.446 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.218 9.327 -0.334 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.094 11.409 0.981 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.646 14.581 -1.205 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -0.144 14.016 0.808 1.00 0.00 H new ATOM 117 N SER A 9 1.598 8.650 -1.724 1.00 0.00 N ATOM 118 CA SER A 9 3.030 8.689 -1.315 1.00 0.00 C ATOM 119 C SER A 9 3.741 7.450 -1.864 1.00 0.00 C ATOM 120 O SER A 9 3.396 6.938 -2.910 1.00 0.00 O ATOM 121 CB SER A 9 3.124 8.697 0.211 1.00 0.00 C ATOM 122 OG SER A 9 4.456 9.004 0.597 1.00 0.00 O ATOM 0 H SER A 9 1.200 7.715 -1.814 1.00 0.00 H new ATOM 0 HA SER A 9 3.501 9.589 -1.710 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.434 9.432 0.626 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.832 7.726 0.610 1.00 0.00 H new ATOM 0 HG SER A 9 4.520 9.012 1.575 1.00 0.00 H new ATOM 128 N ILE A 10 4.729 6.960 -1.166 1.00 0.00 N ATOM 129 CA ILE A 10 5.453 5.752 -1.651 1.00 0.00 C ATOM 130 C ILE A 10 4.976 4.526 -0.869 1.00 0.00 C ATOM 131 O ILE A 10 4.872 4.553 0.341 1.00 0.00 O ATOM 132 CB ILE A 10 6.959 5.938 -1.448 1.00 0.00 C ATOM 133 CG1 ILE A 10 7.492 6.937 -2.478 1.00 0.00 C ATOM 134 CG2 ILE A 10 7.672 4.596 -1.630 1.00 0.00 C ATOM 135 CD1 ILE A 10 7.388 8.355 -1.916 1.00 0.00 C ATOM 0 H ILE A 10 5.065 7.343 -0.283 1.00 0.00 H new ATOM 0 HA ILE A 10 5.249 5.608 -2.712 1.00 0.00 H new ATOM 0 HB ILE A 10 7.144 6.314 -0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.529 6.706 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.923 6.859 -3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.744 4.731 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.294 3.881 -0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.487 4.219 -2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.768 9.066 -2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.345 8.583 -1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.977 8.428 -1.002 1.00 0.00 H new ATOM 147 N CYS A 11 4.686 3.450 -1.549 1.00 0.00 N ATOM 148 CA CYS A 11 4.217 2.225 -0.842 1.00 0.00 C ATOM 149 C CYS A 11 5.364 1.645 -0.014 1.00 0.00 C ATOM 150 O CYS A 11 6.523 1.878 -0.293 1.00 0.00 O ATOM 151 CB CYS A 11 3.753 1.189 -1.868 1.00 0.00 C ATOM 152 SG CYS A 11 2.246 0.382 -1.275 1.00 0.00 S ATOM 0 H CYS A 11 4.754 3.367 -2.563 1.00 0.00 H new ATOM 0 HA CYS A 11 3.386 2.481 -0.184 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.566 1.671 -2.828 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.535 0.447 -2.031 1.00 0.00 H new ATOM 157 N SER A 12 5.053 0.890 1.005 1.00 0.00 N ATOM 158 CA SER A 12 6.128 0.297 1.849 1.00 0.00 C ATOM 159 C SER A 12 6.064 -1.229 1.760 1.00 0.00 C ATOM 160 O SER A 12 5.032 -1.830 1.981 1.00 0.00 O ATOM 161 CB SER A 12 5.934 0.730 3.302 1.00 0.00 C ATOM 162 OG SER A 12 4.590 1.151 3.491 1.00 0.00 O ATOM 0 H SER A 12 4.101 0.659 1.289 1.00 0.00 H new ATOM 0 HA SER A 12 7.099 0.642 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.166 -0.096 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.619 1.542 3.546 1.00 0.00 H new ATOM 0 HG SER A 12 4.431 1.321 4.443 1.00 0.00 H new ATOM 168 N LEU A 13 7.160 -1.860 1.438 1.00 0.00 N ATOM 169 CA LEU A 13 7.168 -3.339 1.337 1.00 0.00 C ATOM 170 C LEU A 13 6.561 -3.942 2.606 1.00 0.00 C ATOM 171 O LEU A 13 5.844 -4.922 2.558 1.00 0.00 O ATOM 172 CB LEU A 13 8.610 -3.811 1.181 1.00 0.00 C ATOM 173 CG LEU A 13 9.240 -3.145 -0.044 1.00 0.00 C ATOM 174 CD1 LEU A 13 10.674 -3.646 -0.217 1.00 0.00 C ATOM 175 CD2 LEU A 13 8.424 -3.497 -1.290 1.00 0.00 C ATOM 0 H LEU A 13 8.053 -1.408 1.240 1.00 0.00 H new ATOM 0 HA LEU A 13 6.580 -3.658 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.182 -3.565 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.638 -4.895 1.073 1.00 0.00 H new ATOM 0 HG LEU A 13 9.248 -2.064 0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.122 -3.171 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.256 -3.397 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.667 -4.727 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.871 -3.023 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.417 -4.578 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.401 -3.140 -1.168 1.00 0.00 H new ATOM 187 N TYR A 14 6.839 -3.362 3.741 1.00 0.00 N ATOM 188 CA TYR A 14 6.276 -3.900 5.010 1.00 0.00 C ATOM 189 C TYR A 14 4.753 -3.836 4.955 1.00 0.00 C ATOM 190 O TYR A 14 4.066 -4.822 5.132 1.00 0.00 O ATOM 191 CB TYR A 14 6.780 -3.060 6.188 1.00 0.00 C ATOM 192 CG TYR A 14 6.612 -3.835 7.473 1.00 0.00 C ATOM 193 CD1 TYR A 14 7.376 -4.987 7.702 1.00 0.00 C ATOM 194 CD2 TYR A 14 5.693 -3.400 8.438 1.00 0.00 C ATOM 195 CE1 TYR A 14 7.220 -5.705 8.896 1.00 0.00 C ATOM 196 CE2 TYR A 14 5.538 -4.118 9.632 1.00 0.00 C ATOM 197 CZ TYR A 14 6.302 -5.270 9.861 1.00 0.00 C ATOM 198 OH TYR A 14 6.148 -5.976 11.036 1.00 0.00 O ATOM 0 H TYR A 14 7.432 -2.538 3.844 1.00 0.00 H new ATOM 0 HA TYR A 14 6.593 -4.935 5.140 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.829 -2.803 6.041 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.226 -2.123 6.242 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.085 -5.322 6.959 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.104 -2.512 8.262 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.808 -6.594 9.072 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.830 -3.783 10.375 1.00 0.00 H new ATOM 0 HH TYR A 14 5.473 -5.538 11.595 1.00 0.00 H new ATOM 208 N GLN A 15 4.225 -2.674 4.709 1.00 0.00 N ATOM 209 CA GLN A 15 2.746 -2.519 4.638 1.00 0.00 C ATOM 210 C GLN A 15 2.228 -3.116 3.329 1.00 0.00 C ATOM 211 O GLN A 15 1.047 -3.351 3.167 1.00 0.00 O ATOM 212 CB GLN A 15 2.389 -1.032 4.695 1.00 0.00 C ATOM 213 CG GLN A 15 1.808 -0.697 6.070 1.00 0.00 C ATOM 214 CD GLN A 15 0.298 -0.940 6.060 1.00 0.00 C ATOM 215 OE1 GLN A 15 -0.453 -0.265 5.234 1.00 0.00 O flip ATOM 216 NE2 GLN A 15 -0.204 -1.752 6.811 1.00 0.00 N flip ATOM 0 H GLN A 15 4.756 -1.818 4.553 1.00 0.00 H new ATOM 0 HA GLN A 15 2.287 -3.039 5.479 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.276 -0.427 4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.667 -0.791 3.915 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.281 -1.312 6.836 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.018 0.343 6.322 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.383 -2.280 7.457 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.212 -1.906 6.796 1.00 0.00 H new ATOM 225 N LEU A 16 3.103 -3.374 2.396 1.00 0.00 N ATOM 226 CA LEU A 16 2.659 -3.962 1.104 1.00 0.00 C ATOM 227 C LEU A 16 2.379 -5.444 1.319 1.00 0.00 C ATOM 228 O LEU A 16 1.514 -6.022 0.693 1.00 0.00 O ATOM 229 CB LEU A 16 3.764 -3.787 0.056 1.00 0.00 C ATOM 230 CG LEU A 16 3.342 -4.429 -1.272 1.00 0.00 C ATOM 231 CD1 LEU A 16 3.524 -5.946 -1.189 1.00 0.00 C ATOM 232 CD2 LEU A 16 1.872 -4.109 -1.563 1.00 0.00 C ATOM 0 H LEU A 16 4.105 -3.203 2.474 1.00 0.00 H new ATOM 0 HA LEU A 16 1.757 -3.462 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.969 -2.727 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.688 -4.243 0.411 1.00 0.00 H new ATOM 0 HG LEU A 16 3.963 -4.029 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.224 -6.401 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.571 -6.177 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.907 -6.343 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.580 -4.568 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.248 -4.502 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.741 -3.029 -1.629 1.00 0.00 H new ATOM 244 N GLU A 17 3.105 -6.064 2.205 1.00 0.00 N ATOM 245 CA GLU A 17 2.876 -7.507 2.463 1.00 0.00 C ATOM 246 C GLU A 17 1.612 -7.669 3.308 1.00 0.00 C ATOM 247 O GLU A 17 1.067 -8.748 3.430 1.00 0.00 O ATOM 248 CB GLU A 17 4.075 -8.093 3.210 1.00 0.00 C ATOM 249 CG GLU A 17 4.320 -9.527 2.734 1.00 0.00 C ATOM 250 CD GLU A 17 3.640 -10.506 3.693 1.00 0.00 C ATOM 251 OE1 GLU A 17 2.919 -10.049 4.564 1.00 0.00 O ATOM 252 OE2 GLU A 17 3.853 -11.698 3.540 1.00 0.00 O ATOM 0 H GLU A 17 3.845 -5.633 2.759 1.00 0.00 H new ATOM 0 HA GLU A 17 2.754 -8.034 1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.961 -7.483 3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.889 -8.081 4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.929 -9.659 1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.390 -9.729 2.690 1.00 0.00 H new ATOM 259 N ASN A 18 1.142 -6.599 3.893 1.00 0.00 N ATOM 260 CA ASN A 18 -0.086 -6.686 4.733 1.00 0.00 C ATOM 261 C ASN A 18 -1.319 -6.757 3.832 1.00 0.00 C ATOM 262 O ASN A 18 -2.409 -7.058 4.280 1.00 0.00 O ATOM 263 CB ASN A 18 -0.176 -5.447 5.628 1.00 0.00 C ATOM 264 CG ASN A 18 -0.901 -5.805 6.927 1.00 0.00 C ATOM 265 OD1 ASN A 18 -2.102 -5.648 7.029 1.00 0.00 O ATOM 266 ND2 ASN A 18 -0.219 -6.282 7.932 1.00 0.00 N ATOM 0 H ASN A 18 1.556 -5.669 3.825 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.041 -7.581 5.353 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.823 -5.072 5.849 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.709 -4.649 5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.694 -6.523 8.802 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.789 -6.414 7.847 1.00 0.00 H new ATOM 273 N TYR A 19 -1.162 -6.485 2.566 1.00 0.00 N ATOM 274 CA TYR A 19 -2.331 -6.542 1.645 1.00 0.00 C ATOM 275 C TYR A 19 -2.464 -7.956 1.072 1.00 0.00 C ATOM 276 O TYR A 19 -3.325 -8.227 0.260 1.00 0.00 O ATOM 277 CB TYR A 19 -2.133 -5.546 0.500 1.00 0.00 C ATOM 278 CG TYR A 19 -1.764 -4.195 1.061 1.00 0.00 C ATOM 279 CD1 TYR A 19 -2.299 -3.775 2.286 1.00 0.00 C ATOM 280 CD2 TYR A 19 -0.889 -3.359 0.356 1.00 0.00 C ATOM 281 CE1 TYR A 19 -1.960 -2.520 2.806 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.547 -2.103 0.875 1.00 0.00 C ATOM 283 CZ TYR A 19 -1.083 -1.683 2.101 1.00 0.00 C ATOM 284 OH TYR A 19 -0.747 -0.447 2.614 1.00 0.00 O ATOM 0 H TYR A 19 -0.277 -6.226 2.130 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.236 -6.286 2.196 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.349 -5.899 -0.170 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.046 -5.469 -0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.973 -4.420 2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.477 -3.683 -0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.374 -2.197 3.750 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.129 -1.459 0.331 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.885 -0.447 3.584 1.00 0.00 H new ATOM 294 N CYS A 20 -1.619 -8.861 1.490 1.00 0.00 N ATOM 295 CA CYS A 20 -1.705 -10.254 0.966 1.00 0.00 C ATOM 296 C CYS A 20 -2.326 -11.164 2.028 1.00 0.00 C ATOM 297 O CYS A 20 -1.792 -11.333 3.106 1.00 0.00 O ATOM 298 CB CYS A 20 -0.304 -10.761 0.620 1.00 0.00 C ATOM 299 SG CYS A 20 -0.405 -12.491 0.096 1.00 0.00 S ATOM 0 H CYS A 20 -0.876 -8.696 2.169 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.326 -10.263 0.070 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.129 -10.153 -0.175 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.352 -10.669 1.485 1.00 0.00 H new ATOM 304 N ASN A 21 -3.452 -11.753 1.731 1.00 0.00 N ATOM 305 CA ASN A 21 -4.109 -12.651 2.711 1.00 0.00 C ATOM 306 C ASN A 21 -3.141 -13.763 3.122 1.00 0.00 C ATOM 307 O ASN A 21 -3.379 -14.378 4.150 1.00 0.00 O ATOM 308 CB ASN A 21 -5.347 -13.260 2.057 1.00 0.00 C ATOM 309 CG ASN A 21 -4.918 -14.288 1.008 1.00 0.00 C ATOM 310 OD1 ASN A 21 -3.745 -14.431 0.722 1.00 0.00 O ATOM 311 ND2 ASN A 21 -5.824 -15.015 0.414 1.00 0.00 N ATOM 312 OXT ASN A 21 -2.181 -13.982 2.403 1.00 0.00 O ATOM 0 H ASN A 21 -3.945 -11.647 0.844 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.396 -12.088 3.599 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.973 -13.735 2.812 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.947 -12.478 1.591 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.547 -15.701 -0.288 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.809 -14.897 0.652 1.00 0.00 H new TER 319 ASN A 21 ATOM 320 N PHE B 1 13.546 -1.274 -2.252 1.00 0.00 N ATOM 321 CA PHE B 1 12.870 -1.189 -3.578 1.00 0.00 C ATOM 322 C PHE B 1 13.279 0.110 -4.276 1.00 0.00 C ATOM 323 O PHE B 1 14.355 0.630 -4.061 1.00 0.00 O ATOM 324 CB PHE B 1 11.353 -1.206 -3.380 1.00 0.00 C ATOM 325 CG PHE B 1 10.728 -2.167 -4.363 1.00 0.00 C ATOM 326 CD1 PHE B 1 10.890 -3.548 -4.191 1.00 0.00 C ATOM 327 CD2 PHE B 1 9.988 -1.677 -5.447 1.00 0.00 C ATOM 328 CE1 PHE B 1 10.311 -4.440 -5.103 1.00 0.00 C ATOM 329 CE2 PHE B 1 9.408 -2.569 -6.359 1.00 0.00 C ATOM 330 CZ PHE B 1 9.570 -3.951 -6.188 1.00 0.00 C ATOM 0 H1 PHE B 1 13.615 -2.270 -1.960 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.501 -0.867 -2.322 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.995 -0.744 -1.547 1.00 0.00 H new ATOM 0 HA PHE B 1 13.165 -2.040 -4.192 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.112 -1.505 -2.360 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.945 -0.205 -3.524 1.00 0.00 H new ATOM 0 HD1 PHE B 1 11.461 -3.925 -3.355 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.865 -0.612 -5.580 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.436 -5.505 -4.970 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.836 -2.192 -7.194 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.124 -4.638 -6.892 1.00 0.00 H new ATOM 342 N VAL B 2 12.428 0.639 -5.111 1.00 0.00 N ATOM 343 CA VAL B 2 12.768 1.904 -5.823 1.00 0.00 C ATOM 344 C VAL B 2 12.144 3.090 -5.087 1.00 0.00 C ATOM 345 O VAL B 2 12.452 4.234 -5.362 1.00 0.00 O ATOM 346 CB VAL B 2 12.223 1.849 -7.250 1.00 0.00 C ATOM 347 CG1 VAL B 2 10.695 1.907 -7.215 1.00 0.00 C ATOM 348 CG2 VAL B 2 12.759 3.041 -8.044 1.00 0.00 C ATOM 0 H VAL B 2 11.511 0.250 -5.332 1.00 0.00 H new ATOM 0 HA VAL B 2 13.851 2.023 -5.851 1.00 0.00 H new ATOM 0 HB VAL B 2 12.541 0.921 -7.725 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.306 1.868 -8.232 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.312 1.059 -6.647 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.377 2.835 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.372 3.004 -9.062 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.440 3.968 -7.568 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.848 3.002 -8.069 1.00 0.00 H new ATOM 358 N ASN B 3 11.267 2.830 -4.157 1.00 0.00 N ATOM 359 CA ASN B 3 10.625 3.948 -3.410 1.00 0.00 C ATOM 360 C ASN B 3 9.786 4.786 -4.377 1.00 0.00 C ATOM 361 O ASN B 3 10.161 5.878 -4.755 1.00 0.00 O ATOM 362 CB ASN B 3 11.705 4.825 -2.774 1.00 0.00 C ATOM 363 CG ASN B 3 11.825 4.490 -1.286 1.00 0.00 C ATOM 364 OD1 ASN B 3 11.655 5.347 -0.443 1.00 0.00 O ATOM 365 ND2 ASN B 3 12.112 3.268 -0.927 1.00 0.00 N ATOM 0 H ASN B 3 10.968 1.894 -3.883 1.00 0.00 H new ATOM 0 HA ASN B 3 9.983 3.544 -2.627 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.661 4.662 -3.272 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.455 5.878 -2.901 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.193 3.033 0.062 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.255 2.548 -1.636 1.00 0.00 H new ATOM 372 N GLN B 4 8.652 4.280 -4.781 1.00 0.00 N ATOM 373 CA GLN B 4 7.787 5.044 -5.725 1.00 0.00 C ATOM 374 C GLN B 4 6.337 4.989 -5.241 1.00 0.00 C ATOM 375 O GLN B 4 6.037 4.410 -4.217 1.00 0.00 O ATOM 376 CB GLN B 4 7.884 4.424 -7.121 1.00 0.00 C ATOM 377 CG GLN B 4 7.812 5.529 -8.176 1.00 0.00 C ATOM 378 CD GLN B 4 6.732 5.183 -9.205 1.00 0.00 C ATOM 379 OE1 GLN B 4 5.558 5.180 -8.891 1.00 0.00 O ATOM 380 NE2 GLN B 4 7.081 4.890 -10.427 1.00 0.00 N ATOM 0 H GLN B 4 8.287 3.370 -4.498 1.00 0.00 H new ATOM 0 HA GLN B 4 8.118 6.082 -5.766 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.818 3.871 -7.221 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.074 3.710 -7.271 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.585 6.484 -7.703 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.778 5.639 -8.669 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.066 4.893 -10.690 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.369 4.658 -11.119 1.00 0.00 H new ATOM 389 N HIS B 5 5.435 5.589 -5.970 1.00 0.00 N ATOM 390 CA HIS B 5 4.004 5.574 -5.551 1.00 0.00 C ATOM 391 C HIS B 5 3.266 4.440 -6.266 1.00 0.00 C ATOM 392 O HIS B 5 3.217 4.386 -7.479 1.00 0.00 O ATOM 393 CB HIS B 5 3.356 6.912 -5.915 1.00 0.00 C ATOM 394 CG HIS B 5 4.314 8.031 -5.620 1.00 0.00 C ATOM 395 ND1 HIS B 5 5.534 8.123 -6.257 1.00 0.00 N ATOM 396 CD2 HIS B 5 4.221 9.092 -4.761 1.00 0.00 C ATOM 397 CE1 HIS B 5 6.137 9.219 -5.777 1.00 0.00 C ATOM 398 NE2 HIS B 5 5.372 9.845 -4.859 1.00 0.00 N ATOM 0 H HIS B 5 5.627 6.089 -6.838 1.00 0.00 H new ATOM 0 HA HIS B 5 3.945 5.418 -4.474 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.084 6.921 -6.970 1.00 0.00 H new ATOM 0 HB3 HIS B 5 2.435 7.048 -5.348 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.384 9.305 -4.113 1.00 0.00 H new ATOM 0 HE1 HIS B 5 7.114 9.559 -6.087 1.00 0.00 H new ATOM 0 HE2 HIS B 5 5.598 10.697 -4.345 1.00 0.00 H new ATOM 406 N LEU B 6 2.687 3.532 -5.525 1.00 0.00 N ATOM 407 CA LEU B 6 1.950 2.407 -6.165 1.00 0.00 C ATOM 408 C LEU B 6 0.473 2.778 -6.304 1.00 0.00 C ATOM 409 O LEU B 6 -0.069 3.517 -5.507 1.00 0.00 O ATOM 410 CB LEU B 6 2.078 1.156 -5.294 1.00 0.00 C ATOM 411 CG LEU B 6 3.151 0.237 -5.874 1.00 0.00 C ATOM 412 CD1 LEU B 6 2.787 -0.126 -7.313 1.00 0.00 C ATOM 413 CD2 LEU B 6 4.498 0.959 -5.859 1.00 0.00 C ATOM 0 H LEU B 6 2.694 3.522 -4.505 1.00 0.00 H new ATOM 0 HA LEU B 6 2.371 2.211 -7.151 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.338 1.436 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.123 0.633 -5.248 1.00 0.00 H new ATOM 0 HG LEU B 6 3.216 -0.671 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.553 -0.782 -7.728 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.825 -0.637 -7.327 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.724 0.782 -7.912 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.266 0.305 -6.273 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.431 1.866 -6.460 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.759 1.222 -4.834 1.00 0.00 H new ATOM 425 N CYS B 7 -0.184 2.270 -7.312 1.00 0.00 N ATOM 426 CA CYS B 7 -1.624 2.598 -7.497 1.00 0.00 C ATOM 427 C CYS B 7 -2.172 1.832 -8.705 1.00 0.00 C ATOM 428 O CYS B 7 -1.561 1.788 -9.753 1.00 0.00 O ATOM 429 CB CYS B 7 -1.774 4.101 -7.736 1.00 0.00 C ATOM 430 SG CYS B 7 -3.355 4.667 -7.062 1.00 0.00 S ATOM 0 H CYS B 7 0.214 1.644 -8.012 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.181 2.313 -6.604 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.952 4.639 -7.263 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.724 4.317 -8.803 1.00 0.00 H new ATOM 435 N GLY B 8 -3.323 1.232 -8.566 1.00 0.00 N ATOM 436 CA GLY B 8 -3.914 0.475 -9.708 1.00 0.00 C ATOM 437 C GLY B 8 -3.370 -0.957 -9.717 1.00 0.00 C ATOM 438 O GLY B 8 -2.870 -1.449 -8.724 1.00 0.00 O ATOM 0 H GLY B 8 -3.880 1.233 -7.712 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.001 0.461 -9.623 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.674 0.971 -10.648 1.00 0.00 H new ATOM 442 N SER B 9 -3.465 -1.627 -10.833 1.00 0.00 N ATOM 443 CA SER B 9 -2.956 -3.027 -10.914 1.00 0.00 C ATOM 444 C SER B 9 -1.501 -3.071 -10.455 1.00 0.00 C ATOM 445 O SER B 9 -0.983 -4.112 -10.102 1.00 0.00 O ATOM 446 CB SER B 9 -3.049 -3.519 -12.358 1.00 0.00 C ATOM 447 OG SER B 9 -4.095 -2.823 -13.023 1.00 0.00 O ATOM 0 H SER B 9 -3.874 -1.265 -11.694 1.00 0.00 H new ATOM 0 HA SER B 9 -3.558 -3.669 -10.270 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.102 -3.354 -12.872 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.240 -4.592 -12.378 1.00 0.00 H new ATOM 0 HG SER B 9 -4.157 -3.134 -13.950 1.00 0.00 H new ATOM 453 N ASP B 10 -0.837 -1.951 -10.446 1.00 0.00 N ATOM 454 CA ASP B 10 0.576 -1.931 -10.002 1.00 0.00 C ATOM 455 C ASP B 10 0.645 -2.425 -8.556 1.00 0.00 C ATOM 456 O ASP B 10 1.670 -2.882 -8.091 1.00 0.00 O ATOM 457 CB ASP B 10 1.104 -0.502 -10.095 1.00 0.00 C ATOM 458 CG ASP B 10 1.492 -0.194 -11.542 1.00 0.00 C ATOM 459 OD1 ASP B 10 0.711 -0.508 -12.425 1.00 0.00 O ATOM 460 OD2 ASP B 10 2.564 0.352 -11.744 1.00 0.00 O ATOM 0 H ASP B 10 -1.216 -1.047 -10.729 1.00 0.00 H new ATOM 0 HA ASP B 10 1.184 -2.579 -10.633 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.344 0.201 -9.754 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.968 -0.379 -9.442 1.00 0.00 H new ATOM 465 N LEU B 11 -0.450 -2.347 -7.848 1.00 0.00 N ATOM 466 CA LEU B 11 -0.465 -2.824 -6.439 1.00 0.00 C ATOM 467 C LEU B 11 -0.246 -4.335 -6.426 1.00 0.00 C ATOM 468 O LEU B 11 0.565 -4.851 -5.683 1.00 0.00 O ATOM 469 CB LEU B 11 -1.824 -2.505 -5.810 1.00 0.00 C ATOM 470 CG LEU B 11 -1.715 -1.254 -4.936 1.00 0.00 C ATOM 471 CD1 LEU B 11 -0.887 -1.571 -3.690 1.00 0.00 C ATOM 472 CD2 LEU B 11 -1.036 -0.135 -5.727 1.00 0.00 C ATOM 0 H LEU B 11 -1.336 -1.972 -8.188 1.00 0.00 H new ATOM 0 HA LEU B 11 0.324 -2.329 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.568 -2.349 -6.591 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.164 -3.349 -5.210 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.713 -0.934 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.810 -0.679 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.371 -2.367 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.111 -1.893 -3.988 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.959 0.756 -5.104 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.038 -0.455 -6.027 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.626 0.093 -6.614 1.00 0.00 H new ATOM 484 N VAL B 12 -0.963 -5.051 -7.250 1.00 0.00 N ATOM 485 CA VAL B 12 -0.795 -6.527 -7.289 1.00 0.00 C ATOM 486 C VAL B 12 0.618 -6.861 -7.754 1.00 0.00 C ATOM 487 O VAL B 12 1.103 -7.950 -7.540 1.00 0.00 O ATOM 488 CB VAL B 12 -1.810 -7.136 -8.254 1.00 0.00 C ATOM 489 CG1 VAL B 12 -3.199 -6.598 -7.926 1.00 0.00 C ATOM 490 CG2 VAL B 12 -1.443 -6.759 -9.691 1.00 0.00 C ATOM 0 H VAL B 12 -1.657 -4.675 -7.896 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.958 -6.938 -6.293 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.803 -8.221 -8.154 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.928 -7.030 -8.612 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.461 -6.866 -6.903 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.202 -5.513 -8.029 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.169 -7.195 -10.378 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.450 -5.674 -9.796 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.449 -7.139 -9.924 1.00 0.00 H new ATOM 500 N GLU B 13 1.292 -5.925 -8.370 1.00 0.00 N ATOM 501 CA GLU B 13 2.683 -6.196 -8.823 1.00 0.00 C ATOM 502 C GLU B 13 3.562 -6.257 -7.585 1.00 0.00 C ATOM 503 O GLU B 13 4.417 -7.111 -7.447 1.00 0.00 O ATOM 504 CB GLU B 13 3.161 -5.072 -9.744 1.00 0.00 C ATOM 505 CG GLU B 13 4.173 -5.629 -10.747 1.00 0.00 C ATOM 506 CD GLU B 13 5.592 -5.335 -10.259 1.00 0.00 C ATOM 507 OE1 GLU B 13 5.952 -4.170 -10.211 1.00 0.00 O ATOM 508 OE2 GLU B 13 6.296 -6.279 -9.939 1.00 0.00 O ATOM 0 H GLU B 13 0.939 -4.990 -8.577 1.00 0.00 H new ATOM 0 HA GLU B 13 2.730 -7.134 -9.376 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.313 -4.635 -10.272 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.617 -4.275 -9.156 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.032 -6.704 -10.862 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.014 -5.180 -11.727 1.00 0.00 H new ATOM 515 N ALA B 14 3.330 -5.365 -6.666 1.00 0.00 N ATOM 516 CA ALA B 14 4.113 -5.369 -5.410 1.00 0.00 C ATOM 517 C ALA B 14 3.744 -6.630 -4.633 1.00 0.00 C ATOM 518 O ALA B 14 4.592 -7.332 -4.114 1.00 0.00 O ATOM 519 CB ALA B 14 3.748 -4.132 -4.591 1.00 0.00 C ATOM 0 H ALA B 14 2.626 -4.630 -6.735 1.00 0.00 H new ATOM 0 HA ALA B 14 5.183 -5.354 -5.618 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.321 -4.128 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.979 -3.235 -5.165 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.683 -4.150 -4.359 1.00 0.00 H new ATOM 525 N LEU B 15 2.475 -6.933 -4.572 1.00 0.00 N ATOM 526 CA LEU B 15 2.036 -8.157 -3.857 1.00 0.00 C ATOM 527 C LEU B 15 2.530 -9.370 -4.635 1.00 0.00 C ATOM 528 O LEU B 15 3.011 -10.337 -4.078 1.00 0.00 O ATOM 529 CB LEU B 15 0.509 -8.187 -3.770 1.00 0.00 C ATOM 530 CG LEU B 15 0.019 -6.961 -2.998 1.00 0.00 C ATOM 531 CD1 LEU B 15 -1.366 -6.553 -3.504 1.00 0.00 C ATOM 532 CD2 LEU B 15 -0.063 -7.301 -1.509 1.00 0.00 C ATOM 0 H LEU B 15 1.725 -6.382 -4.989 1.00 0.00 H new ATOM 0 HA LEU B 15 2.444 -8.167 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.077 -8.197 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.180 -9.099 -3.272 1.00 0.00 H new ATOM 0 HG LEU B 15 0.715 -6.136 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.712 -5.679 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.309 -6.312 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.065 -7.376 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.412 -6.429 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.759 -8.127 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.924 -7.590 -1.147 1.00 0.00 H new ATOM 544 N TYR B 16 2.420 -9.312 -5.927 1.00 0.00 N ATOM 545 CA TYR B 16 2.891 -10.443 -6.773 1.00 0.00 C ATOM 546 C TYR B 16 4.232 -10.954 -6.256 1.00 0.00 C ATOM 547 O TYR B 16 4.350 -12.045 -5.738 1.00 0.00 O ATOM 548 CB TYR B 16 3.106 -9.952 -8.203 1.00 0.00 C ATOM 549 CG TYR B 16 2.416 -10.881 -9.168 1.00 0.00 C ATOM 550 CD1 TYR B 16 2.743 -12.243 -9.190 1.00 0.00 C ATOM 551 CD2 TYR B 16 1.443 -10.379 -10.041 1.00 0.00 C ATOM 552 CE1 TYR B 16 2.097 -13.102 -10.088 1.00 0.00 C ATOM 553 CE2 TYR B 16 0.797 -11.238 -10.940 1.00 0.00 C ATOM 554 CZ TYR B 16 1.124 -12.601 -10.963 1.00 0.00 C ATOM 555 OH TYR B 16 0.487 -13.449 -11.845 1.00 0.00 O ATOM 0 H TYR B 16 2.022 -8.526 -6.440 1.00 0.00 H new ATOM 0 HA TYR B 16 2.144 -11.236 -6.742 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.714 -8.941 -8.313 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.172 -9.907 -8.426 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.492 -12.630 -8.515 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.190 -9.329 -10.021 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.349 -14.152 -10.106 1.00 0.00 H new ATOM 0 HE2 TYR B 16 0.048 -10.850 -11.615 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.159 -12.941 -12.378 1.00 0.00 H new ATOM 565 N LEU B 17 5.252 -10.164 -6.433 1.00 0.00 N ATOM 566 CA LEU B 17 6.614 -10.570 -6.005 1.00 0.00 C ATOM 567 C LEU B 17 6.630 -11.037 -4.542 1.00 0.00 C ATOM 568 O LEU B 17 7.232 -12.043 -4.223 1.00 0.00 O ATOM 569 CB LEU B 17 7.557 -9.380 -6.172 1.00 0.00 C ATOM 570 CG LEU B 17 8.998 -9.870 -6.374 1.00 0.00 C ATOM 571 CD1 LEU B 17 9.270 -11.091 -5.491 1.00 0.00 C ATOM 572 CD2 LEU B 17 9.198 -10.254 -7.843 1.00 0.00 C ATOM 0 H LEU B 17 5.197 -9.241 -6.863 1.00 0.00 H new ATOM 0 HA LEU B 17 6.938 -11.406 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.247 -8.778 -7.026 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.503 -8.738 -5.293 1.00 0.00 H new ATOM 0 HG LEU B 17 9.688 -9.072 -6.099 1.00 0.00 H new ATOM 0 HD11 LEU B 17 10.295 -11.429 -5.643 1.00 0.00 H new ATOM 0 HD12 LEU B 17 9.128 -10.822 -4.444 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.580 -11.893 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU B 17 10.220 -10.603 -7.992 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.501 -11.048 -8.110 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.016 -9.384 -8.474 1.00 0.00 H new ATOM 584 N VAL B 18 6.000 -10.327 -3.642 1.00 0.00 N ATOM 585 CA VAL B 18 6.035 -10.775 -2.217 1.00 0.00 C ATOM 586 C VAL B 18 5.194 -12.034 -2.053 1.00 0.00 C ATOM 587 O VAL B 18 5.615 -13.010 -1.464 1.00 0.00 O ATOM 588 CB VAL B 18 5.485 -9.680 -1.307 1.00 0.00 C ATOM 589 CG1 VAL B 18 6.368 -8.441 -1.409 1.00 0.00 C ATOM 590 CG2 VAL B 18 4.067 -9.321 -1.734 1.00 0.00 C ATOM 0 H VAL B 18 5.473 -9.473 -3.826 1.00 0.00 H new ATOM 0 HA VAL B 18 7.068 -10.985 -1.941 1.00 0.00 H new ATOM 0 HB VAL B 18 5.475 -10.041 -0.278 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.975 -7.659 -0.759 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.383 -8.692 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.378 -8.085 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.678 -8.539 -1.082 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.077 -8.964 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.431 -10.203 -1.662 1.00 0.00 H new ATOM 600 N CYS B 19 4.010 -12.012 -2.571 1.00 0.00 N ATOM 601 CA CYS B 19 3.122 -13.197 -2.459 1.00 0.00 C ATOM 602 C CYS B 19 3.046 -13.894 -3.816 1.00 0.00 C ATOM 603 O CYS B 19 3.515 -15.002 -3.985 1.00 0.00 O ATOM 604 CB CYS B 19 1.726 -12.741 -2.036 1.00 0.00 C ATOM 605 SG CYS B 19 1.511 -13.019 -0.260 1.00 0.00 S ATOM 0 H CYS B 19 3.611 -11.219 -3.073 1.00 0.00 H new ATOM 0 HA CYS B 19 3.517 -13.889 -1.716 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.591 -11.685 -2.268 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.968 -13.290 -2.595 1.00 0.00 H new ATOM 610 N GLY B 20 2.468 -13.247 -4.789 1.00 0.00 N ATOM 611 CA GLY B 20 2.370 -13.864 -6.139 1.00 0.00 C ATOM 612 C GLY B 20 1.290 -14.947 -6.134 1.00 0.00 C ATOM 613 O GLY B 20 0.136 -14.684 -5.858 1.00 0.00 O ATOM 0 H GLY B 20 2.059 -12.316 -4.707 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.131 -13.102 -6.881 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.330 -14.295 -6.423 1.00 0.00 H new ATOM 617 N GLU B 21 1.654 -16.163 -6.436 1.00 0.00 N ATOM 618 CA GLU B 21 0.646 -17.262 -6.448 1.00 0.00 C ATOM 619 C GLU B 21 -0.005 -17.369 -5.068 1.00 0.00 C ATOM 620 O GLU B 21 -1.043 -17.977 -4.905 1.00 0.00 O ATOM 621 CB GLU B 21 1.338 -18.584 -6.788 1.00 0.00 C ATOM 622 CG GLU B 21 0.307 -19.574 -7.334 1.00 0.00 C ATOM 623 CD GLU B 21 0.898 -20.986 -7.320 1.00 0.00 C ATOM 624 OE1 GLU B 21 0.932 -21.582 -6.257 1.00 0.00 O ATOM 625 OE2 GLU B 21 1.309 -21.445 -8.374 1.00 0.00 O ATOM 0 H GLU B 21 2.605 -16.444 -6.675 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.118 -17.048 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.123 -18.417 -7.525 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.817 -18.995 -5.899 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -0.600 -19.542 -6.730 1.00 0.00 H new ATOM 0 HG3 GLU B 21 0.023 -19.297 -8.349 1.00 0.00 H new ATOM 632 N ARG B 22 0.598 -16.779 -4.073 1.00 0.00 N ATOM 633 CA ARG B 22 0.016 -16.845 -2.704 1.00 0.00 C ATOM 634 C ARG B 22 -1.345 -16.147 -2.697 1.00 0.00 C ATOM 635 O ARG B 22 -2.113 -16.272 -1.762 1.00 0.00 O ATOM 636 CB ARG B 22 0.954 -16.146 -1.719 1.00 0.00 C ATOM 637 CG ARG B 22 0.822 -16.796 -0.340 1.00 0.00 C ATOM 638 CD ARG B 22 -0.160 -15.990 0.511 1.00 0.00 C ATOM 639 NE ARG B 22 0.500 -15.590 1.785 1.00 0.00 N ATOM 640 CZ ARG B 22 0.114 -16.120 2.913 1.00 0.00 C ATOM 641 NH1 ARG B 22 0.127 -17.415 3.064 1.00 0.00 N ATOM 642 NH2 ARG B 22 -0.286 -15.353 3.891 1.00 0.00 N ATOM 0 H ARG B 22 1.469 -16.254 -4.149 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.108 -17.887 -2.409 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.984 -16.216 -2.069 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.710 -15.085 -1.658 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.473 -17.824 -0.442 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.795 -16.837 0.149 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -0.489 -15.105 -0.034 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -1.049 -16.584 0.721 1.00 0.00 H new ATOM 0 HE ARG B 22 1.253 -14.902 1.776 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.439 -18.014 2.300 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.175 -17.829 3.946 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.297 -14.340 3.773 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -0.588 -15.767 4.773 1.00 0.00 H new ATOM 656 N GLY B 23 -1.650 -15.412 -3.730 1.00 0.00 N ATOM 657 CA GLY B 23 -2.962 -14.706 -3.782 1.00 0.00 C ATOM 658 C GLY B 23 -2.934 -13.502 -2.840 1.00 0.00 C ATOM 659 O GLY B 23 -2.692 -13.632 -1.657 1.00 0.00 O ATOM 0 H GLY B 23 -1.048 -15.269 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.170 -14.379 -4.801 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.764 -15.386 -3.495 1.00 0.00 H new ATOM 663 N PHE B 24 -3.179 -12.327 -3.355 1.00 0.00 N ATOM 664 CA PHE B 24 -3.166 -11.118 -2.489 1.00 0.00 C ATOM 665 C PHE B 24 -4.600 -10.630 -2.277 1.00 0.00 C ATOM 666 O PHE B 24 -5.478 -10.885 -3.078 1.00 0.00 O ATOM 667 CB PHE B 24 -2.343 -10.006 -3.152 1.00 0.00 C ATOM 668 CG PHE B 24 -2.220 -10.250 -4.641 1.00 0.00 C ATOM 669 CD1 PHE B 24 -3.244 -9.835 -5.505 1.00 0.00 C ATOM 670 CD2 PHE B 24 -1.084 -10.887 -5.156 1.00 0.00 C ATOM 671 CE1 PHE B 24 -3.129 -10.059 -6.883 1.00 0.00 C ATOM 672 CE2 PHE B 24 -0.970 -11.111 -6.534 1.00 0.00 C ATOM 673 CZ PHE B 24 -1.992 -10.697 -7.398 1.00 0.00 C ATOM 0 H PHE B 24 -3.387 -12.154 -4.338 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.717 -11.371 -1.529 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.816 -9.040 -2.974 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.351 -9.963 -2.702 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.120 -9.343 -5.108 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.295 -11.206 -4.490 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.917 -9.740 -7.549 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.094 -11.603 -6.930 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.904 -10.869 -8.461 1.00 0.00 H new ATOM 683 N PHE B 25 -4.845 -9.929 -1.204 1.00 0.00 N ATOM 684 CA PHE B 25 -6.223 -9.426 -0.941 1.00 0.00 C ATOM 685 C PHE B 25 -6.352 -7.996 -1.470 1.00 0.00 C ATOM 686 O PHE B 25 -7.079 -7.187 -0.928 1.00 0.00 O ATOM 687 CB PHE B 25 -6.493 -9.442 0.566 1.00 0.00 C ATOM 688 CG PHE B 25 -7.976 -9.298 0.810 1.00 0.00 C ATOM 689 CD1 PHE B 25 -8.876 -10.177 0.193 1.00 0.00 C ATOM 690 CD2 PHE B 25 -8.453 -8.286 1.653 1.00 0.00 C ATOM 691 CE1 PHE B 25 -10.252 -10.043 0.417 1.00 0.00 C ATOM 692 CE2 PHE B 25 -9.830 -8.151 1.878 1.00 0.00 C ATOM 693 CZ PHE B 25 -10.729 -9.031 1.260 1.00 0.00 C ATOM 0 H PHE B 25 -4.151 -9.683 -0.498 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.947 -10.066 -1.445 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.130 -10.373 1.002 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.952 -8.630 1.052 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.508 -10.958 -0.456 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.759 -7.609 2.130 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.945 -10.720 -0.060 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.198 -7.370 2.527 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.790 -8.929 1.434 1.00 0.00 H new ATOM 703 N TYR B 26 -5.652 -7.679 -2.525 1.00 0.00 N ATOM 704 CA TYR B 26 -5.735 -6.303 -3.089 1.00 0.00 C ATOM 705 C TYR B 26 -7.149 -6.050 -3.601 1.00 0.00 C ATOM 706 O TYR B 26 -7.973 -6.940 -3.668 1.00 0.00 O ATOM 707 CB TYR B 26 -4.735 -6.163 -4.239 1.00 0.00 C ATOM 708 CG TYR B 26 -5.009 -4.918 -5.046 1.00 0.00 C ATOM 709 CD1 TYR B 26 -4.562 -3.673 -4.586 1.00 0.00 C ATOM 710 CD2 TYR B 26 -5.710 -5.008 -6.255 1.00 0.00 C ATOM 711 CE1 TYR B 26 -4.817 -2.517 -5.336 1.00 0.00 C ATOM 712 CE2 TYR B 26 -5.965 -3.853 -7.004 1.00 0.00 C ATOM 713 CZ TYR B 26 -5.518 -2.607 -6.545 1.00 0.00 C ATOM 714 OH TYR B 26 -5.770 -1.469 -7.285 1.00 0.00 O ATOM 0 H TYR B 26 -5.026 -8.314 -3.020 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.497 -5.574 -2.314 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.721 -6.127 -3.841 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.793 -7.039 -4.885 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.021 -3.604 -3.654 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.054 -5.968 -6.610 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.473 -1.557 -4.982 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.506 -3.922 -7.936 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.266 -1.709 -8.096 1.00 0.00 H new ATOM 724 N THR B 27 -7.429 -4.836 -3.955 1.00 0.00 N ATOM 725 CA THR B 27 -8.777 -4.485 -4.461 1.00 0.00 C ATOM 726 C THR B 27 -8.894 -4.874 -5.937 1.00 0.00 C ATOM 727 O THR B 27 -8.173 -5.720 -6.426 1.00 0.00 O ATOM 728 CB THR B 27 -8.972 -2.978 -4.311 1.00 0.00 C ATOM 729 OG1 THR B 27 -8.248 -2.303 -5.331 1.00 0.00 O ATOM 730 CG2 THR B 27 -8.465 -2.530 -2.939 1.00 0.00 C ATOM 0 H THR B 27 -6.771 -4.058 -3.915 1.00 0.00 H new ATOM 0 HA THR B 27 -9.539 -5.021 -3.895 1.00 0.00 H new ATOM 0 HB THR B 27 -10.032 -2.738 -4.400 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.412 -2.782 -5.510 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.605 -1.454 -2.833 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.023 -3.047 -2.158 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.406 -2.769 -2.847 1.00 0.00 H new ATOM 738 N LYS B 28 -9.799 -4.261 -6.651 1.00 0.00 N ATOM 739 CA LYS B 28 -9.963 -4.591 -8.093 1.00 0.00 C ATOM 740 C LYS B 28 -9.801 -3.312 -8.927 1.00 0.00 C ATOM 741 O LYS B 28 -9.481 -2.267 -8.395 1.00 0.00 O ATOM 742 CB LYS B 28 -11.350 -5.198 -8.319 1.00 0.00 C ATOM 743 CG LYS B 28 -11.212 -6.591 -8.941 1.00 0.00 C ATOM 744 CD LYS B 28 -12.001 -7.603 -8.108 1.00 0.00 C ATOM 745 CE LYS B 28 -13.129 -8.192 -8.957 1.00 0.00 C ATOM 746 NZ LYS B 28 -14.350 -8.350 -8.118 1.00 0.00 N ATOM 0 H LYS B 28 -10.432 -3.545 -6.296 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.206 -5.313 -8.398 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.887 -5.264 -7.373 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.937 -4.554 -8.974 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.582 -6.581 -9.966 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.162 -6.879 -8.984 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.341 -8.397 -7.760 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.413 -7.119 -7.222 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.339 -7.540 -9.805 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.827 -9.157 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.118 -8.750 -8.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -14.145 -8.988 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.641 -7.422 -7.750 1.00 0.00 H new ATOM 760 N PRO B 29 -10.003 -3.440 -10.213 1.00 0.00 N ATOM 761 CA PRO B 29 -9.863 -2.327 -11.162 1.00 0.00 C ATOM 762 C PRO B 29 -11.170 -1.534 -11.260 1.00 0.00 C ATOM 763 O PRO B 29 -12.138 -1.824 -10.586 1.00 0.00 O ATOM 764 CB PRO B 29 -9.550 -3.039 -12.483 1.00 0.00 C ATOM 765 CG PRO B 29 -10.086 -4.490 -12.341 1.00 0.00 C ATOM 766 CD PRO B 29 -10.386 -4.711 -10.846 1.00 0.00 C ATOM 0 HA PRO B 29 -9.099 -1.604 -10.875 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -10.027 -2.530 -13.320 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -8.478 -3.039 -12.679 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -10.986 -4.630 -12.940 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -9.350 -5.210 -12.698 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.439 -4.938 -10.680 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.813 -5.546 -10.443 1.00 0.00 H new ATOM 774 N THR B 30 -11.203 -0.532 -12.097 1.00 0.00 N ATOM 775 CA THR B 30 -12.443 0.283 -12.240 1.00 0.00 C ATOM 776 C THR B 30 -13.476 -0.497 -13.056 1.00 0.00 C ATOM 777 O THR B 30 -14.252 0.137 -13.752 1.00 0.00 O ATOM 778 CB THR B 30 -12.110 1.595 -12.956 1.00 0.00 C ATOM 779 OG1 THR B 30 -11.708 1.314 -14.289 1.00 0.00 O ATOM 780 CG2 THR B 30 -10.976 2.306 -12.217 1.00 0.00 C ATOM 781 OXT THR B 30 -13.474 -1.714 -12.971 1.00 0.00 O ATOM 0 H THR B 30 -10.424 -0.243 -12.688 1.00 0.00 H new ATOM 0 HA THR B 30 -12.851 0.501 -11.253 1.00 0.00 H new ATOM 0 HB THR B 30 -12.990 2.238 -12.970 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.496 2.152 -14.750 1.00 0.00 H new ATOM 0 HG21 THR B 30 -10.739 3.240 -12.727 1.00 0.00 H new ATOM 0 HG22 THR B 30 -11.286 2.519 -11.194 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.094 1.666 -12.203 1.00 0.00 H new TER 789 THR B 30