USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=15 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 1 GLY N :NH3+ 156:sc= 0.678 (180deg=0.242) USER MOD Set 1.2: B 30 THR OG1 : rot 180:sc= 0.693 USER MOD Set 2.1: A 5 GLN : amide:sc= 1.87 K(o=4.5,f=1.2) USER MOD Set 2.2: A 9 SER OG : rot -13:sc= 1.76 USER MOD Set 2.3: A 15 GLN : amide:sc= 0.851 K(o=4.5,f=2.9) USER MOD Single : A 8 THR OG1 : rot -72:sc= 1.26 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.175 X(o=0.18,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.083) USER MOD Single : B 1 PHE N :NH3+ 143:sc= 0.18 (180deg=0.0432) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : B 4 GLN : amide:sc= 0.0704 X(o=0.07,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.635 K(o=0.63,f=-2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.4!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 34:sc= 0.194 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.637 USER MOD Single : B 29 LYS NZ :NH3+ 164:sc= 1.29 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.090 9.643 -2.621 1.00 0.00 N ATOM 2 CA GLY A 1 -3.880 8.187 -2.764 1.00 0.00 C ATOM 3 C GLY A 1 -2.694 7.872 -3.662 1.00 0.00 C ATOM 4 O GLY A 1 -1.920 8.765 -4.017 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.082 9.828 -2.370 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.469 10.011 -1.873 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.867 10.116 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.719 7.745 -1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.779 7.729 -3.176 1.00 0.00 H new ATOM 10 N ILE A 2 -2.549 6.607 -4.075 1.00 0.00 N ATOM 11 CA ILE A 2 -1.416 6.128 -4.895 1.00 0.00 C ATOM 12 C ILE A 2 -1.306 6.842 -6.245 1.00 0.00 C ATOM 13 O ILE A 2 -0.194 7.027 -6.724 1.00 0.00 O ATOM 14 CB ILE A 2 -1.435 4.592 -5.092 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.710 4.085 -5.803 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.216 3.888 -3.743 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.671 2.597 -6.165 1.00 0.00 C ATOM 0 H ILE A 2 -3.221 5.873 -3.849 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.524 6.382 -4.322 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.612 4.339 -5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.570 4.270 -5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.862 4.666 -6.713 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.231 2.808 -3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.252 4.185 -3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.010 4.171 -3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.601 2.319 -6.660 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.832 2.407 -6.835 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.552 2.005 -5.258 1.00 0.00 H new ATOM 29 N VAL A 3 -2.419 7.308 -6.823 1.00 0.00 N ATOM 30 CA VAL A 3 -2.411 8.050 -8.104 1.00 0.00 C ATOM 31 C VAL A 3 -1.605 9.358 -8.010 1.00 0.00 C ATOM 32 O VAL A 3 -0.967 9.746 -8.989 1.00 0.00 O ATOM 33 CB VAL A 3 -3.854 8.316 -8.592 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.961 9.294 -9.774 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.506 6.989 -9.012 1.00 0.00 C ATOM 0 H VAL A 3 -3.350 7.186 -6.424 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.910 7.422 -8.841 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.365 8.780 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.008 9.420 -10.048 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.542 10.259 -9.487 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.408 8.897 -10.626 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.523 7.176 -9.356 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.927 6.538 -9.818 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.530 6.310 -8.160 1.00 0.00 H new ATOM 45 N GLU A 4 -1.577 10.002 -6.839 1.00 0.00 N ATOM 46 CA GLU A 4 -0.636 11.092 -6.563 1.00 0.00 C ATOM 47 C GLU A 4 0.722 10.535 -6.131 1.00 0.00 C ATOM 48 O GLU A 4 1.736 10.852 -6.758 1.00 0.00 O ATOM 49 CB GLU A 4 -1.201 12.037 -5.486 1.00 0.00 C ATOM 50 CG GLU A 4 -2.348 12.911 -6.006 1.00 0.00 C ATOM 51 CD GLU A 4 -1.855 13.988 -6.985 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.494 15.102 -6.534 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.864 13.734 -8.211 1.00 0.00 O ATOM 0 H GLU A 4 -2.201 9.785 -6.062 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.496 11.663 -7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.554 11.447 -4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.401 12.678 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.087 12.282 -6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.850 13.389 -5.164 1.00 0.00 H new ATOM 60 N GLN A 5 0.763 9.708 -5.077 1.00 0.00 N ATOM 61 CA GLN A 5 2.010 9.339 -4.398 1.00 0.00 C ATOM 62 C GLN A 5 2.990 8.621 -5.334 1.00 0.00 C ATOM 63 O GLN A 5 4.155 9.004 -5.393 1.00 0.00 O ATOM 64 CB GLN A 5 1.684 8.512 -3.136 1.00 0.00 C ATOM 65 CG GLN A 5 2.770 8.545 -2.040 1.00 0.00 C ATOM 66 CD GLN A 5 3.900 7.524 -2.202 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.746 6.344 -1.912 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.080 7.934 -2.618 1.00 0.00 N ATOM 0 H GLN A 5 -0.068 9.277 -4.672 1.00 0.00 H new ATOM 0 HA GLN A 5 2.521 10.250 -4.088 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.749 8.877 -2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.517 7.476 -3.431 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.207 9.543 -2.015 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.292 8.382 -1.074 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.222 8.914 -2.863 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.852 7.272 -2.695 1.00 0.00 H new ATOM 77 N CYS A 6 2.536 7.637 -6.117 1.00 0.00 N ATOM 78 CA CYS A 6 3.409 6.857 -7.001 1.00 0.00 C ATOM 79 C CYS A 6 3.825 7.589 -8.283 1.00 0.00 C ATOM 80 O CYS A 6 4.817 7.214 -8.913 1.00 0.00 O ATOM 81 CB CYS A 6 2.683 5.570 -7.383 1.00 0.00 C ATOM 82 SG CYS A 6 2.514 4.344 -6.064 1.00 0.00 S ATOM 0 H CYS A 6 1.555 7.359 -6.156 1.00 0.00 H new ATOM 0 HA CYS A 6 4.327 6.667 -6.446 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.687 5.829 -7.743 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.213 5.109 -8.217 1.00 0.00 H new ATOM 87 N CYS A 7 3.065 8.605 -8.693 1.00 0.00 N ATOM 88 CA CYS A 7 3.270 9.306 -9.965 1.00 0.00 C ATOM 89 C CYS A 7 4.008 10.649 -9.807 1.00 0.00 C ATOM 90 O CYS A 7 4.790 11.025 -10.687 1.00 0.00 O ATOM 91 CB CYS A 7 1.902 9.460 -10.643 1.00 0.00 C ATOM 92 SG CYS A 7 1.981 9.891 -12.400 1.00 0.00 S ATOM 0 H CYS A 7 2.283 8.969 -8.149 1.00 0.00 H new ATOM 0 HA CYS A 7 3.931 8.714 -10.597 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.350 8.527 -10.535 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.335 10.229 -10.118 1.00 0.00 H new ATOM 97 N THR A 8 3.808 11.349 -8.677 1.00 0.00 N ATOM 98 CA THR A 8 4.487 12.618 -8.327 1.00 0.00 C ATOM 99 C THR A 8 5.715 12.425 -7.436 1.00 0.00 C ATOM 100 O THR A 8 6.541 13.331 -7.323 1.00 0.00 O ATOM 101 CB THR A 8 3.524 13.612 -7.662 1.00 0.00 C ATOM 102 OG1 THR A 8 3.101 13.149 -6.401 1.00 0.00 O ATOM 103 CG2 THR A 8 2.293 13.892 -8.529 1.00 0.00 C ATOM 0 H THR A 8 3.152 11.043 -7.959 1.00 0.00 H new ATOM 0 HA THR A 8 4.831 13.027 -9.277 1.00 0.00 H new ATOM 0 HB THR A 8 4.082 14.540 -7.540 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.483 12.398 -6.519 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.641 14.600 -8.017 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.608 14.313 -9.484 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.752 12.962 -8.704 1.00 0.00 H new ATOM 111 N SER A 9 5.873 11.246 -6.836 1.00 0.00 N ATOM 112 CA SER A 9 7.040 10.841 -6.047 1.00 0.00 C ATOM 113 C SER A 9 7.331 9.340 -6.259 1.00 0.00 C ATOM 114 O SER A 9 6.720 8.702 -7.121 1.00 0.00 O ATOM 115 CB SER A 9 6.843 11.226 -4.569 1.00 0.00 C ATOM 116 OG SER A 9 5.826 10.478 -3.915 1.00 0.00 O ATOM 0 H SER A 9 5.163 10.515 -6.887 1.00 0.00 H new ATOM 0 HA SER A 9 7.925 11.378 -6.389 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.784 11.085 -4.037 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.598 12.286 -4.508 1.00 0.00 H new ATOM 0 HG SER A 9 5.296 9.993 -4.582 1.00 0.00 H new ATOM 122 N ILE A 10 8.293 8.758 -5.535 1.00 0.00 N ATOM 123 CA ILE A 10 8.633 7.326 -5.637 1.00 0.00 C ATOM 124 C ILE A 10 7.823 6.510 -4.619 1.00 0.00 C ATOM 125 O ILE A 10 7.658 6.933 -3.472 1.00 0.00 O ATOM 126 CB ILE A 10 10.168 7.142 -5.518 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.594 5.742 -6.009 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.701 7.430 -4.099 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.110 5.580 -6.181 1.00 0.00 C ATOM 0 H ILE A 10 8.863 9.265 -4.858 1.00 0.00 H new ATOM 0 HA ILE A 10 8.352 6.938 -6.616 1.00 0.00 H new ATOM 0 HB ILE A 10 10.625 7.888 -6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.236 4.995 -5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.106 5.537 -6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.781 7.284 -4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.469 8.459 -3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.230 6.750 -3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.331 4.571 -6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.473 6.303 -6.912 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.605 5.751 -5.225 1.00 0.00 H new ATOM 141 N CYS A 11 7.304 5.344 -5.007 1.00 0.00 N ATOM 142 CA CYS A 11 6.538 4.461 -4.117 1.00 0.00 C ATOM 143 C CYS A 11 6.991 3.001 -4.188 1.00 0.00 C ATOM 144 O CYS A 11 7.618 2.558 -5.149 1.00 0.00 O ATOM 145 CB CYS A 11 5.035 4.592 -4.402 1.00 0.00 C ATOM 146 SG CYS A 11 4.419 3.674 -5.837 1.00 0.00 S ATOM 0 H CYS A 11 7.403 4.980 -5.955 1.00 0.00 H new ATOM 0 HA CYS A 11 6.735 4.787 -3.096 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.487 4.260 -3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.802 5.647 -4.543 1.00 0.00 H new ATOM 151 N SER A 12 6.669 2.250 -3.144 1.00 0.00 N ATOM 152 CA SER A 12 7.076 0.849 -2.961 1.00 0.00 C ATOM 153 C SER A 12 5.892 -0.104 -3.175 1.00 0.00 C ATOM 154 O SER A 12 4.730 0.287 -3.049 1.00 0.00 O ATOM 155 CB SER A 12 7.648 0.657 -1.547 1.00 0.00 C ATOM 156 OG SER A 12 8.731 1.546 -1.310 1.00 0.00 O ATOM 0 H SER A 12 6.101 2.602 -2.374 1.00 0.00 H new ATOM 0 HA SER A 12 7.840 0.615 -3.702 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.865 0.827 -0.808 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.984 -0.372 -1.424 1.00 0.00 H new ATOM 0 HG SER A 12 9.077 1.406 -0.404 1.00 0.00 H new ATOM 162 N LEU A 13 6.167 -1.389 -3.399 1.00 0.00 N ATOM 163 CA LEU A 13 5.140 -2.433 -3.453 1.00 0.00 C ATOM 164 C LEU A 13 4.363 -2.507 -2.131 1.00 0.00 C ATOM 165 O LEU A 13 3.154 -2.720 -2.128 1.00 0.00 O ATOM 166 CB LEU A 13 5.812 -3.774 -3.782 1.00 0.00 C ATOM 167 CG LEU A 13 6.699 -3.808 -5.054 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.067 -5.264 -5.365 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.074 -3.160 -6.299 1.00 0.00 C ATOM 0 H LEU A 13 7.114 -1.738 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 13 4.418 -2.194 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.426 -4.067 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.033 -4.529 -3.888 1.00 0.00 H new ATOM 0 HG LEU A 13 7.578 -3.206 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.691 -5.299 -6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.614 -5.689 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.158 -5.841 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.769 -3.233 -7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.147 -3.676 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.861 -2.111 -6.095 1.00 0.00 H new ATOM 181 N TYR A 14 5.025 -2.228 -1.007 1.00 0.00 N ATOM 182 CA TYR A 14 4.383 -2.064 0.301 1.00 0.00 C ATOM 183 C TYR A 14 3.345 -0.919 0.348 1.00 0.00 C ATOM 184 O TYR A 14 2.326 -1.035 1.029 1.00 0.00 O ATOM 185 CB TYR A 14 5.482 -1.854 1.352 1.00 0.00 C ATOM 186 CG TYR A 14 4.965 -1.679 2.766 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.517 -2.800 3.490 1.00 0.00 C ATOM 188 CD2 TYR A 14 4.907 -0.397 3.348 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.011 -2.640 4.797 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.404 -0.230 4.653 1.00 0.00 C ATOM 191 CZ TYR A 14 3.953 -1.355 5.383 1.00 0.00 C ATOM 192 OH TYR A 14 3.468 -1.209 6.648 1.00 0.00 O ATOM 0 H TYR A 14 6.037 -2.108 -0.978 1.00 0.00 H new ATOM 0 HA TYR A 14 3.813 -2.969 0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.160 -2.707 1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.066 -0.975 1.080 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.561 -3.783 3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.250 0.462 2.791 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.667 -3.501 5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.363 0.754 5.095 1.00 0.00 H new ATOM 0 HH TYR A 14 3.497 -0.263 6.902 1.00 0.00 H new ATOM 202 N GLN A 15 3.563 0.164 -0.406 1.00 0.00 N ATOM 203 CA GLN A 15 2.603 1.271 -0.533 1.00 0.00 C ATOM 204 C GLN A 15 1.425 0.883 -1.433 1.00 0.00 C ATOM 205 O GLN A 15 0.300 1.297 -1.159 1.00 0.00 O ATOM 206 CB GLN A 15 3.281 2.537 -1.099 1.00 0.00 C ATOM 207 CG GLN A 15 4.316 3.176 -0.163 1.00 0.00 C ATOM 208 CD GLN A 15 3.650 3.962 0.964 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.451 3.475 2.069 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.260 5.195 0.717 1.00 0.00 N ATOM 0 H GLN A 15 4.415 0.300 -0.950 1.00 0.00 H new ATOM 0 HA GLN A 15 2.230 1.485 0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.769 2.283 -2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.512 3.275 -1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.951 2.399 0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.964 3.840 -0.736 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.423 5.607 -0.202 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.795 5.738 1.444 1.00 0.00 H new ATOM 219 N LEU A 16 1.657 0.061 -2.462 1.00 0.00 N ATOM 220 CA LEU A 16 0.574 -0.531 -3.255 1.00 0.00 C ATOM 221 C LEU A 16 -0.266 -1.505 -2.409 1.00 0.00 C ATOM 222 O LEU A 16 -1.495 -1.455 -2.426 1.00 0.00 O ATOM 223 CB LEU A 16 1.171 -1.218 -4.501 1.00 0.00 C ATOM 224 CG LEU A 16 1.933 -0.278 -5.457 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.508 -1.089 -6.625 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.046 0.843 -6.011 1.00 0.00 C ATOM 0 H LEU A 16 2.592 -0.211 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.103 0.257 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.848 -2.007 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.365 -1.699 -5.054 1.00 0.00 H new ATOM 0 HG LEU A 16 2.732 0.188 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.046 -0.424 -7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.191 -1.846 -6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.696 -1.574 -7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.632 1.475 -6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.212 0.408 -6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.662 1.444 -5.187 1.00 0.00 H new ATOM 238 N GLU A 17 0.394 -2.353 -1.622 1.00 0.00 N ATOM 239 CA GLU A 17 -0.223 -3.395 -0.789 1.00 0.00 C ATOM 240 C GLU A 17 -1.037 -2.820 0.388 1.00 0.00 C ATOM 241 O GLU A 17 -2.010 -3.438 0.820 1.00 0.00 O ATOM 242 CB GLU A 17 0.887 -4.333 -0.283 1.00 0.00 C ATOM 243 CG GLU A 17 0.349 -5.606 0.378 1.00 0.00 C ATOM 244 CD GLU A 17 1.480 -6.577 0.749 1.00 0.00 C ATOM 245 OE1 GLU A 17 2.385 -6.205 1.532 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.441 -7.739 0.281 1.00 0.00 O ATOM 0 H GLU A 17 1.411 -2.336 -1.541 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.938 -3.945 -1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.529 -4.610 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.509 -3.795 0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.212 -5.341 1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.348 -6.101 -0.299 1.00 0.00 H new ATOM 253 N ASN A 18 -0.695 -1.619 0.874 1.00 0.00 N ATOM 254 CA ASN A 18 -1.373 -0.937 1.985 1.00 0.00 C ATOM 255 C ASN A 18 -2.902 -0.812 1.799 1.00 0.00 C ATOM 256 O ASN A 18 -3.657 -0.853 2.771 1.00 0.00 O ATOM 257 CB ASN A 18 -0.727 0.453 2.140 1.00 0.00 C ATOM 258 CG ASN A 18 -1.364 1.277 3.253 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.103 1.068 4.432 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.223 2.225 2.918 1.00 0.00 N ATOM 0 H ASN A 18 0.083 -1.080 0.494 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.247 -1.539 2.885 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.337 0.334 2.345 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.811 0.995 1.198 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.671 2.786 3.642 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.437 2.395 1.935 1.00 0.00 H new ATOM 267 N TYR A 19 -3.365 -0.671 0.553 1.00 0.00 N ATOM 268 CA TYR A 19 -4.774 -0.484 0.193 1.00 0.00 C ATOM 269 C TYR A 19 -5.508 -1.784 -0.206 1.00 0.00 C ATOM 270 O TYR A 19 -6.694 -1.754 -0.538 1.00 0.00 O ATOM 271 CB TYR A 19 -4.808 0.562 -0.929 1.00 0.00 C ATOM 272 CG TYR A 19 -4.235 1.899 -0.498 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.976 2.735 0.359 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.931 2.274 -0.877 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.439 3.958 0.810 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.385 3.491 -0.424 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.139 4.346 0.408 1.00 0.00 C ATOM 278 OH TYR A 19 -2.608 5.525 0.838 1.00 0.00 O ATOM 0 H TYR A 19 -2.749 -0.684 -0.260 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.322 -0.145 1.072 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.246 0.189 -1.785 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.837 0.702 -1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.965 2.437 0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.349 1.627 -1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.018 4.597 1.460 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.383 3.771 -0.715 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.707 5.633 0.467 1.00 0.00 H new ATOM 288 N CYS A 20 -4.815 -2.927 -0.180 1.00 0.00 N ATOM 289 CA CYS A 20 -5.368 -4.250 -0.508 1.00 0.00 C ATOM 290 C CYS A 20 -5.933 -5.020 0.702 1.00 0.00 C ATOM 291 O CYS A 20 -5.706 -4.658 1.863 1.00 0.00 O ATOM 292 CB CYS A 20 -4.292 -5.059 -1.234 1.00 0.00 C ATOM 293 SG CYS A 20 -3.885 -4.383 -2.861 1.00 0.00 S ATOM 0 H CYS A 20 -3.828 -2.961 0.076 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.232 -4.094 -1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.391 -5.088 -0.622 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.633 -6.088 -1.348 1.00 0.00 H new ATOM 298 N ASN A 21 -6.679 -6.093 0.412 1.00 0.00 N ATOM 299 CA ASN A 21 -7.402 -6.954 1.360 1.00 0.00 C ATOM 300 C ASN A 21 -7.383 -8.423 0.894 1.00 0.00 C ATOM 301 O ASN A 21 -6.578 -9.199 1.457 1.00 0.00 O ATOM 302 CB ASN A 21 -8.827 -6.371 1.533 1.00 0.00 C ATOM 303 CG ASN A 21 -9.734 -7.184 2.450 1.00 0.00 C ATOM 304 OD1 ASN A 21 -10.079 -6.777 3.551 1.00 0.00 O ATOM 305 ND2 ASN A 21 -10.154 -8.349 2.014 1.00 0.00 N ATOM 306 OXT ASN A 21 -8.172 -8.785 -0.010 1.00 0.00 O ATOM 0 H ASN A 21 -6.802 -6.404 -0.552 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.916 -6.964 2.336 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.746 -5.358 1.927 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.297 -6.295 0.552 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.770 -8.919 2.594 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.864 -8.685 1.095 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.831 -7.148 -6.346 1.00 0.00 N ATOM 315 CA PHE B 1 12.023 -5.975 -6.763 1.00 0.00 C ATOM 316 C PHE B 1 12.595 -4.668 -6.178 1.00 0.00 C ATOM 317 O PHE B 1 13.576 -4.708 -5.433 1.00 0.00 O ATOM 318 CB PHE B 1 10.531 -6.165 -6.405 1.00 0.00 C ATOM 319 CG PHE B 1 9.893 -7.413 -6.993 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.670 -7.503 -8.382 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.524 -8.484 -6.158 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.091 -8.660 -8.933 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.948 -9.643 -6.710 1.00 0.00 C ATOM 324 CZ PHE B 1 8.736 -9.735 -8.098 1.00 0.00 C ATOM 0 H1 PHE B 1 12.203 -7.959 -6.175 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.509 -7.388 -7.098 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.348 -6.920 -5.473 1.00 0.00 H new ATOM 0 HA PHE B 1 12.083 -5.895 -7.848 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.433 -6.200 -5.320 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.975 -5.293 -6.748 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.945 -6.680 -9.025 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.683 -8.416 -5.092 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.919 -8.723 -9.997 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.668 -10.464 -6.067 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.302 -10.629 -8.521 1.00 0.00 H new ATOM 336 N VAL B 2 12.007 -3.508 -6.505 1.00 0.00 N ATOM 337 CA VAL B 2 12.486 -2.168 -6.096 1.00 0.00 C ATOM 338 C VAL B 2 11.353 -1.131 -6.163 1.00 0.00 C ATOM 339 O VAL B 2 10.387 -1.310 -6.909 1.00 0.00 O ATOM 340 CB VAL B 2 13.729 -1.748 -6.931 1.00 0.00 C ATOM 341 CG1 VAL B 2 13.390 -1.457 -8.407 1.00 0.00 C ATOM 342 CG2 VAL B 2 14.491 -0.562 -6.318 1.00 0.00 C ATOM 0 H VAL B 2 11.163 -3.469 -7.076 1.00 0.00 H new ATOM 0 HA VAL B 2 12.804 -2.216 -5.054 1.00 0.00 H new ATOM 0 HB VAL B 2 14.387 -2.616 -6.904 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.297 -1.169 -8.939 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.968 -2.351 -8.867 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.665 -0.645 -8.460 1.00 0.00 H new ATOM 0 HG21 VAL B 2 15.347 -0.316 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.829 0.301 -6.253 1.00 0.00 H new ATOM 0 HG23 VAL B 2 14.838 -0.829 -5.320 1.00 0.00 H new ATOM 352 N ASN B 3 11.471 -0.049 -5.388 1.00 0.00 N ATOM 353 CA ASN B 3 10.570 1.108 -5.432 1.00 0.00 C ATOM 354 C ASN B 3 10.720 1.921 -6.735 1.00 0.00 C ATOM 355 O ASN B 3 11.793 1.968 -7.344 1.00 0.00 O ATOM 356 CB ASN B 3 10.734 1.960 -4.157 1.00 0.00 C ATOM 357 CG ASN B 3 12.085 2.646 -3.958 1.00 0.00 C ATOM 358 OD1 ASN B 3 13.097 2.313 -4.559 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.143 3.628 -3.075 1.00 0.00 N ATOM 0 H ASN B 3 12.213 0.050 -4.696 1.00 0.00 H new ATOM 0 HA ASN B 3 9.543 0.743 -5.448 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.960 2.727 -4.159 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.547 1.321 -3.294 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.028 4.103 -2.898 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.303 3.911 -2.571 1.00 0.00 H new ATOM 366 N GLN B 4 9.619 2.506 -7.207 1.00 0.00 N ATOM 367 CA GLN B 4 9.459 2.957 -8.593 1.00 0.00 C ATOM 368 C GLN B 4 8.551 4.195 -8.685 1.00 0.00 C ATOM 369 O GLN B 4 7.768 4.481 -7.778 1.00 0.00 O ATOM 370 CB GLN B 4 8.848 1.803 -9.425 1.00 0.00 C ATOM 371 CG GLN B 4 9.861 0.712 -9.806 1.00 0.00 C ATOM 372 CD GLN B 4 9.177 -0.496 -10.438 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.961 -0.570 -11.641 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.786 -1.480 -9.652 1.00 0.00 N ATOM 0 H GLN B 4 8.798 2.684 -6.628 1.00 0.00 H new ATOM 0 HA GLN B 4 10.439 3.234 -8.982 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.035 1.349 -8.858 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.411 2.215 -10.335 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.593 1.122 -10.502 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.408 0.397 -8.918 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.960 -1.431 -8.648 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.310 -2.290 -10.048 1.00 0.00 H new ATOM 383 N HIS B 5 8.614 4.903 -9.812 1.00 0.00 N ATOM 384 CA HIS B 5 7.530 5.783 -10.256 1.00 0.00 C ATOM 385 C HIS B 5 6.532 4.971 -11.102 1.00 0.00 C ATOM 386 O HIS B 5 6.935 4.232 -12.009 1.00 0.00 O ATOM 387 CB HIS B 5 8.089 6.952 -11.075 1.00 0.00 C ATOM 388 CG HIS B 5 8.958 7.902 -10.296 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.551 8.720 -9.268 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.282 8.170 -10.520 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.602 9.468 -8.889 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.688 9.169 -9.623 1.00 0.00 N ATOM 0 H HIS B 5 9.415 4.884 -10.443 1.00 0.00 H new ATOM 0 HA HIS B 5 7.020 6.191 -9.384 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.667 6.552 -11.908 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.256 7.510 -11.503 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.615 8.753 -8.864 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.907 7.694 -11.261 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.577 10.208 -8.103 1.00 0.00 H new ATOM 400 N LEU B 6 5.238 5.113 -10.822 1.00 0.00 N ATOM 401 CA LEU B 6 4.150 4.349 -11.435 1.00 0.00 C ATOM 402 C LEU B 6 2.919 5.256 -11.601 1.00 0.00 C ATOM 403 O LEU B 6 2.520 5.950 -10.665 1.00 0.00 O ATOM 404 CB LEU B 6 3.822 3.136 -10.537 1.00 0.00 C ATOM 405 CG LEU B 6 4.904 2.042 -10.426 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.513 1.063 -9.314 1.00 0.00 C ATOM 407 CD2 LEU B 6 5.075 1.271 -11.745 1.00 0.00 C ATOM 0 H LEU B 6 4.904 5.789 -10.135 1.00 0.00 H new ATOM 0 HA LEU B 6 4.448 3.989 -12.420 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.606 3.504 -9.534 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.908 2.674 -10.910 1.00 0.00 H new ATOM 0 HG LEU B 6 5.853 2.526 -10.197 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.273 0.286 -9.229 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.435 1.599 -8.368 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.553 0.606 -9.553 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.846 0.510 -11.624 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.132 0.793 -12.012 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.368 1.962 -12.535 1.00 0.00 H new ATOM 419 N CYS B 7 2.306 5.242 -12.787 1.00 0.00 N ATOM 420 CA CYS B 7 1.175 6.096 -13.163 1.00 0.00 C ATOM 421 C CYS B 7 0.141 5.299 -13.980 1.00 0.00 C ATOM 422 O CYS B 7 0.495 4.359 -14.702 1.00 0.00 O ATOM 423 CB CYS B 7 1.688 7.271 -14.011 1.00 0.00 C ATOM 424 SG CYS B 7 2.972 8.341 -13.294 1.00 0.00 S ATOM 0 H CYS B 7 2.593 4.614 -13.538 1.00 0.00 H new ATOM 0 HA CYS B 7 0.698 6.465 -12.255 1.00 0.00 H new ATOM 0 HB2 CYS B 7 2.075 6.865 -14.946 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.834 7.898 -14.265 1.00 0.00 H new ATOM 429 N GLY B 8 -1.134 5.694 -13.894 1.00 0.00 N ATOM 430 CA GLY B 8 -2.203 5.268 -14.813 1.00 0.00 C ATOM 431 C GLY B 8 -2.411 3.757 -14.884 1.00 0.00 C ATOM 432 O GLY B 8 -2.471 3.071 -13.865 1.00 0.00 O ATOM 0 H GLY B 8 -1.462 6.332 -13.169 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.138 5.737 -14.505 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -1.975 5.638 -15.812 1.00 0.00 H new ATOM 436 N SER B 9 -2.515 3.222 -16.102 1.00 0.00 N ATOM 437 CA SER B 9 -2.720 1.784 -16.340 1.00 0.00 C ATOM 438 C SER B 9 -1.584 0.938 -15.738 1.00 0.00 C ATOM 439 O SER B 9 -1.835 -0.082 -15.102 1.00 0.00 O ATOM 440 CB SER B 9 -2.860 1.534 -17.847 1.00 0.00 C ATOM 441 OG SER B 9 -3.297 0.206 -18.107 1.00 0.00 O ATOM 0 H SER B 9 -2.460 3.773 -16.958 1.00 0.00 H new ATOM 0 HA SER B 9 -3.637 1.476 -15.839 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.570 2.244 -18.272 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.903 1.708 -18.338 1.00 0.00 H new ATOM 0 HG SER B 9 -3.380 0.072 -19.074 1.00 0.00 H new ATOM 447 N HIS B 10 -0.330 1.391 -15.827 1.00 0.00 N ATOM 448 CA HIS B 10 0.810 0.670 -15.250 1.00 0.00 C ATOM 449 C HIS B 10 0.776 0.643 -13.707 1.00 0.00 C ATOM 450 O HIS B 10 1.207 -0.337 -13.099 1.00 0.00 O ATOM 451 CB HIS B 10 2.108 1.277 -15.798 1.00 0.00 C ATOM 452 CG HIS B 10 2.243 1.168 -17.302 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.810 0.126 -18.096 1.00 0.00 N ATOM 454 CD2 HIS B 10 2.818 2.093 -18.133 1.00 0.00 C ATOM 455 CE1 HIS B 10 2.118 0.419 -19.370 1.00 0.00 C ATOM 456 NE2 HIS B 10 2.742 1.612 -19.445 1.00 0.00 N ATOM 0 H HIS B 10 -0.077 2.260 -16.297 1.00 0.00 H new ATOM 0 HA HIS B 10 0.753 -0.376 -15.550 1.00 0.00 H new ATOM 0 HB2 HIS B 10 2.156 2.328 -15.513 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.957 0.780 -15.329 1.00 0.00 H new ATOM 0 HD1 HIS B 10 1.339 -0.719 -17.772 1.00 0.00 H new ATOM 0 HD2 HIS B 10 3.255 3.032 -17.828 1.00 0.00 H new ATOM 0 HE1 HIS B 10 1.897 -0.213 -20.217 1.00 0.00 H new ATOM 464 N LEU B 11 0.194 1.666 -13.065 1.00 0.00 N ATOM 465 CA LEU B 11 -0.095 1.657 -11.628 1.00 0.00 C ATOM 466 C LEU B 11 -1.217 0.660 -11.284 1.00 0.00 C ATOM 467 O LEU B 11 -1.091 -0.065 -10.298 1.00 0.00 O ATOM 468 CB LEU B 11 -0.410 3.099 -11.187 1.00 0.00 C ATOM 469 CG LEU B 11 -0.672 3.300 -9.684 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.549 2.968 -8.826 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.071 4.759 -9.438 1.00 0.00 C ATOM 0 H LEU B 11 -0.090 2.527 -13.533 1.00 0.00 H new ATOM 0 HA LEU B 11 0.775 1.309 -11.072 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.423 3.738 -11.479 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.285 3.444 -11.738 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.472 2.618 -9.396 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.309 3.127 -7.775 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.830 1.926 -8.980 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.380 3.614 -9.110 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.259 4.911 -8.375 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.264 5.416 -9.761 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.975 4.989 -10.002 1.00 0.00 H new ATOM 483 N VAL B 12 -2.268 0.574 -12.111 1.00 0.00 N ATOM 484 CA VAL B 12 -3.331 -0.452 -11.967 1.00 0.00 C ATOM 485 C VAL B 12 -2.745 -1.867 -12.098 1.00 0.00 C ATOM 486 O VAL B 12 -3.058 -2.730 -11.280 1.00 0.00 O ATOM 487 CB VAL B 12 -4.508 -0.278 -12.966 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.565 -1.391 -12.831 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.235 1.061 -12.788 1.00 0.00 C ATOM 0 H VAL B 12 -2.413 1.207 -12.898 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.742 -0.310 -10.968 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.041 -0.323 -13.950 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.365 -1.222 -13.551 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.101 -2.358 -13.024 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.977 -1.381 -11.822 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.048 1.132 -13.510 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.640 1.124 -11.778 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.534 1.880 -12.949 1.00 0.00 H new ATOM 499 N GLU B 13 -1.884 -2.098 -13.098 1.00 0.00 N ATOM 500 CA GLU B 13 -1.210 -3.375 -13.318 1.00 0.00 C ATOM 501 C GLU B 13 -0.325 -3.747 -12.121 1.00 0.00 C ATOM 502 O GLU B 13 -0.423 -4.864 -11.616 1.00 0.00 O ATOM 503 CB GLU B 13 -0.349 -3.304 -14.591 1.00 0.00 C ATOM 504 CG GLU B 13 -1.160 -3.330 -15.890 1.00 0.00 C ATOM 505 CD GLU B 13 -0.234 -3.264 -17.113 1.00 0.00 C ATOM 506 OE1 GLU B 13 0.434 -2.224 -17.320 1.00 0.00 O ATOM 507 OE2 GLU B 13 -0.176 -4.255 -17.884 1.00 0.00 O ATOM 0 H GLU B 13 -1.635 -1.387 -13.786 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.975 -4.143 -13.435 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.247 -2.392 -14.564 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.349 -4.141 -14.593 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -1.760 -4.239 -15.931 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -1.854 -2.489 -15.908 1.00 0.00 H new ATOM 514 N ALA B 14 0.505 -2.819 -11.627 1.00 0.00 N ATOM 515 CA ALA B 14 1.399 -3.067 -10.494 1.00 0.00 C ATOM 516 C ALA B 14 0.615 -3.422 -9.218 1.00 0.00 C ATOM 517 O ALA B 14 0.914 -4.426 -8.569 1.00 0.00 O ATOM 518 CB ALA B 14 2.283 -1.829 -10.300 1.00 0.00 C ATOM 0 H ALA B 14 0.574 -1.874 -12.004 1.00 0.00 H new ATOM 0 HA ALA B 14 2.029 -3.931 -10.705 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.958 -1.992 -9.460 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.865 -1.652 -11.204 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.655 -0.961 -10.098 1.00 0.00 H new ATOM 524 N LEU B 15 -0.422 -2.644 -8.895 1.00 0.00 N ATOM 525 CA LEU B 15 -1.322 -2.885 -7.763 1.00 0.00 C ATOM 526 C LEU B 15 -1.945 -4.290 -7.825 1.00 0.00 C ATOM 527 O LEU B 15 -1.808 -5.071 -6.883 1.00 0.00 O ATOM 528 CB LEU B 15 -2.376 -1.761 -7.780 1.00 0.00 C ATOM 529 CG LEU B 15 -3.441 -1.866 -6.678 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.840 -1.701 -5.277 1.00 0.00 C ATOM 531 CD2 LEU B 15 -4.514 -0.796 -6.909 1.00 0.00 C ATOM 0 H LEU B 15 -0.665 -1.808 -9.427 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.777 -2.863 -6.819 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.867 -0.802 -7.685 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.874 -1.763 -8.750 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.880 -2.862 -6.730 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.630 -1.783 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.097 -2.480 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.365 -0.723 -5.198 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -5.272 -0.867 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -4.055 0.192 -6.880 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.979 -0.951 -7.882 1.00 0.00 H new ATOM 543 N TYR B 16 -2.557 -4.645 -8.958 1.00 0.00 N ATOM 544 CA TYR B 16 -3.120 -5.980 -9.197 1.00 0.00 C ATOM 545 C TYR B 16 -2.071 -7.101 -9.052 1.00 0.00 C ATOM 546 O TYR B 16 -2.352 -8.127 -8.434 1.00 0.00 O ATOM 547 CB TYR B 16 -3.765 -6.001 -10.592 1.00 0.00 C ATOM 548 CG TYR B 16 -4.078 -7.392 -11.121 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.006 -8.215 -10.452 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.388 -7.886 -12.247 1.00 0.00 C ATOM 551 CE1 TYR B 16 -5.249 -9.526 -10.907 1.00 0.00 C ATOM 552 CE2 TYR B 16 -3.625 -9.196 -12.703 1.00 0.00 C ATOM 553 CZ TYR B 16 -4.557 -10.022 -12.034 1.00 0.00 C ATOM 554 OH TYR B 16 -4.782 -11.290 -12.481 1.00 0.00 O ATOM 0 H TYR B 16 -2.678 -4.008 -9.745 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.874 -6.177 -8.435 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.688 -5.422 -10.560 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.098 -5.500 -11.294 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.533 -7.839 -9.587 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.676 -7.257 -12.761 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -5.964 -10.152 -10.394 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.094 -9.571 -13.565 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.222 -11.464 -13.266 1.00 0.00 H new ATOM 564 N LEU B 17 -0.857 -6.908 -9.572 1.00 0.00 N ATOM 565 CA LEU B 17 0.219 -7.909 -9.549 1.00 0.00 C ATOM 566 C LEU B 17 0.874 -8.061 -8.169 1.00 0.00 C ATOM 567 O LEU B 17 1.260 -9.171 -7.808 1.00 0.00 O ATOM 568 CB LEU B 17 1.258 -7.569 -10.637 1.00 0.00 C ATOM 569 CG LEU B 17 0.769 -7.810 -12.083 1.00 0.00 C ATOM 570 CD1 LEU B 17 1.798 -7.219 -13.062 1.00 0.00 C ATOM 571 CD2 LEU B 17 0.568 -9.299 -12.393 1.00 0.00 C ATOM 0 H LEU B 17 -0.586 -6.037 -10.030 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.227 -8.880 -9.764 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.546 -6.523 -10.533 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.154 -8.165 -10.465 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.199 -7.322 -12.193 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.462 -7.384 -14.086 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.899 -6.149 -12.881 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.762 -7.705 -12.914 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.224 -9.413 -13.421 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.512 -9.828 -12.265 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.176 -9.715 -11.713 1.00 0.00 H new ATOM 583 N VAL B 18 0.952 -6.988 -7.382 1.00 0.00 N ATOM 584 CA VAL B 18 1.390 -7.031 -5.973 1.00 0.00 C ATOM 585 C VAL B 18 0.383 -7.810 -5.125 1.00 0.00 C ATOM 586 O VAL B 18 0.774 -8.674 -4.338 1.00 0.00 O ATOM 587 CB VAL B 18 1.589 -5.606 -5.396 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.677 -5.556 -3.859 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.887 -5.006 -5.947 1.00 0.00 C ATOM 0 H VAL B 18 0.712 -6.050 -7.702 1.00 0.00 H new ATOM 0 HA VAL B 18 2.352 -7.542 -5.940 1.00 0.00 H new ATOM 0 HB VAL B 18 0.706 -5.043 -5.699 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.816 -4.524 -3.536 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.756 -5.950 -3.429 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.521 -6.158 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.026 -4.004 -5.541 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.730 -5.635 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.830 -4.952 -7.034 1.00 0.00 H new ATOM 599 N CYS B 19 -0.908 -7.510 -5.279 1.00 0.00 N ATOM 600 CA CYS B 19 -1.945 -8.072 -4.400 1.00 0.00 C ATOM 601 C CYS B 19 -2.418 -9.470 -4.842 1.00 0.00 C ATOM 602 O CYS B 19 -2.766 -10.293 -3.991 1.00 0.00 O ATOM 603 CB CYS B 19 -3.055 -7.029 -4.213 1.00 0.00 C ATOM 604 SG CYS B 19 -2.336 -5.528 -3.473 1.00 0.00 S ATOM 0 H CYS B 19 -1.264 -6.883 -6.001 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.524 -8.271 -3.414 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.516 -6.793 -5.172 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -3.841 -7.426 -3.571 1.00 0.00 H new ATOM 609 N GLY B 20 -2.334 -9.788 -6.136 1.00 0.00 N ATOM 610 CA GLY B 20 -2.525 -11.137 -6.682 1.00 0.00 C ATOM 611 C GLY B 20 -3.974 -11.603 -6.575 1.00 0.00 C ATOM 612 O GLY B 20 -4.874 -10.996 -7.154 1.00 0.00 O ATOM 0 H GLY B 20 -2.125 -9.095 -6.855 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.217 -11.151 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -1.880 -11.837 -6.151 1.00 0.00 H new ATOM 616 N GLU B 21 -4.192 -12.689 -5.830 1.00 0.00 N ATOM 617 CA GLU B 21 -5.524 -13.237 -5.530 1.00 0.00 C ATOM 618 C GLU B 21 -6.352 -12.362 -4.564 1.00 0.00 C ATOM 619 O GLU B 21 -7.579 -12.496 -4.505 1.00 0.00 O ATOM 620 CB GLU B 21 -5.381 -14.667 -4.981 1.00 0.00 C ATOM 621 CG GLU B 21 -4.675 -14.771 -3.620 1.00 0.00 C ATOM 622 CD GLU B 21 -4.542 -16.242 -3.190 1.00 0.00 C ATOM 623 OE1 GLU B 21 -5.470 -16.781 -2.545 1.00 0.00 O ATOM 624 OE2 GLU B 21 -3.501 -16.873 -3.492 1.00 0.00 O ATOM 0 H GLU B 21 -3.434 -13.226 -5.408 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.080 -13.249 -6.467 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -6.374 -15.108 -4.893 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.830 -15.265 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.688 -14.314 -3.681 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.238 -14.216 -2.869 1.00 0.00 H new ATOM 631 N ARG B 22 -5.690 -11.475 -3.809 1.00 0.00 N ATOM 632 CA ARG B 22 -6.318 -10.526 -2.877 1.00 0.00 C ATOM 633 C ARG B 22 -7.037 -9.394 -3.625 1.00 0.00 C ATOM 634 O ARG B 22 -6.720 -9.086 -4.780 1.00 0.00 O ATOM 635 CB ARG B 22 -5.262 -9.942 -1.924 1.00 0.00 C ATOM 636 CG ARG B 22 -4.590 -11.024 -1.058 1.00 0.00 C ATOM 637 CD ARG B 22 -3.442 -10.452 -0.217 1.00 0.00 C ATOM 638 NE ARG B 22 -2.263 -10.137 -1.049 1.00 0.00 N ATOM 639 CZ ARG B 22 -1.163 -9.527 -0.628 1.00 0.00 C ATOM 640 NH1 ARG B 22 -1.020 -9.088 0.603 1.00 0.00 N ATOM 641 NH2 ARG B 22 -0.141 -9.331 -1.430 1.00 0.00 N ATOM 0 H ARG B 22 -4.673 -11.395 -3.830 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.064 -11.071 -2.298 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -4.501 -9.421 -2.505 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -5.731 -9.202 -1.276 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.333 -11.475 -0.400 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.209 -11.818 -1.700 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -3.779 -9.550 0.294 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -3.163 -11.170 0.554 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.298 -10.412 -2.031 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.774 -9.211 1.279 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.155 -8.624 0.882 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.184 -9.650 -2.398 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.695 -8.860 -1.085 1.00 0.00 H new ATOM 655 N GLY B 23 -7.985 -8.740 -2.950 1.00 0.00 N ATOM 656 CA GLY B 23 -8.702 -7.569 -3.467 1.00 0.00 C ATOM 657 C GLY B 23 -7.846 -6.313 -3.355 1.00 0.00 C ATOM 658 O GLY B 23 -7.054 -6.190 -2.421 1.00 0.00 O ATOM 0 H GLY B 23 -8.282 -9.013 -2.013 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -8.975 -7.736 -4.509 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.630 -7.432 -2.912 1.00 0.00 H new ATOM 662 N PHE B 24 -8.001 -5.377 -4.292 1.00 0.00 N ATOM 663 CA PHE B 24 -7.263 -4.114 -4.321 1.00 0.00 C ATOM 664 C PHE B 24 -8.177 -2.886 -4.449 1.00 0.00 C ATOM 665 O PHE B 24 -9.323 -2.994 -4.895 1.00 0.00 O ATOM 666 CB PHE B 24 -6.222 -4.169 -5.448 1.00 0.00 C ATOM 667 CG PHE B 24 -6.772 -4.301 -6.855 1.00 0.00 C ATOM 668 CD1 PHE B 24 -7.132 -3.155 -7.592 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.922 -5.578 -7.438 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.627 -3.281 -8.901 1.00 0.00 C ATOM 671 CE2 PHE B 24 -7.418 -5.702 -8.748 1.00 0.00 C ATOM 672 CZ PHE B 24 -7.766 -4.555 -9.482 1.00 0.00 C ATOM 0 H PHE B 24 -8.656 -5.478 -5.067 1.00 0.00 H new ATOM 0 HA PHE B 24 -6.757 -3.994 -3.363 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.615 -3.265 -5.400 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.555 -5.011 -5.259 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.027 -2.176 -7.149 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.655 -6.461 -6.877 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.901 -2.399 -9.462 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -7.532 -6.680 -9.191 1.00 0.00 H new ATOM 0 HZ PHE B 24 -8.140 -4.651 -10.491 1.00 0.00 H new ATOM 682 N PHE B 25 -7.654 -1.713 -4.077 1.00 0.00 N ATOM 683 CA PHE B 25 -8.324 -0.419 -4.212 1.00 0.00 C ATOM 684 C PHE B 25 -7.338 0.654 -4.696 1.00 0.00 C ATOM 685 O PHE B 25 -6.327 0.942 -4.055 1.00 0.00 O ATOM 686 CB PHE B 25 -8.993 -0.042 -2.881 1.00 0.00 C ATOM 687 CG PHE B 25 -9.791 1.252 -2.902 1.00 0.00 C ATOM 688 CD1 PHE B 25 -10.768 1.481 -3.895 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.585 2.226 -1.906 1.00 0.00 C ATOM 690 CE1 PHE B 25 -11.511 2.674 -3.903 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.340 3.413 -1.904 1.00 0.00 C ATOM 692 CZ PHE B 25 -11.297 3.644 -2.909 1.00 0.00 C ATOM 0 H PHE B 25 -6.725 -1.637 -3.662 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.106 -0.489 -4.968 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.656 -0.854 -2.583 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.222 0.038 -2.115 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.946 0.734 -4.654 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.843 2.061 -1.139 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.247 2.845 -4.674 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.185 4.149 -1.129 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.865 4.563 -2.917 1.00 0.00 H new ATOM 702 N TYR B 26 -7.646 1.230 -5.858 1.00 0.00 N ATOM 703 CA TYR B 26 -6.821 2.207 -6.577 1.00 0.00 C ATOM 704 C TYR B 26 -7.135 3.632 -6.088 1.00 0.00 C ATOM 705 O TYR B 26 -8.042 4.296 -6.601 1.00 0.00 O ATOM 706 CB TYR B 26 -7.105 1.998 -8.068 1.00 0.00 C ATOM 707 CG TYR B 26 -6.320 2.846 -9.047 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.009 2.469 -9.401 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.930 3.940 -9.693 1.00 0.00 C ATOM 710 CE1 TYR B 26 -4.325 3.166 -10.413 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.248 4.643 -10.705 1.00 0.00 C ATOM 712 CZ TYR B 26 -4.943 4.249 -11.079 1.00 0.00 C ATOM 713 OH TYR B 26 -4.301 4.896 -12.091 1.00 0.00 O ATOM 0 H TYR B 26 -8.516 1.020 -6.348 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.756 2.069 -6.392 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.919 0.950 -8.304 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.166 2.180 -8.239 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.529 1.644 -8.895 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.928 4.241 -9.410 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.321 2.872 -10.683 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.721 5.481 -11.194 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.753 4.257 -12.592 1.00 0.00 H new ATOM 723 N THR B 27 -6.415 4.090 -5.053 1.00 0.00 N ATOM 724 CA THR B 27 -6.702 5.361 -4.369 1.00 0.00 C ATOM 725 C THR B 27 -6.317 6.572 -5.236 1.00 0.00 C ATOM 726 O THR B 27 -5.158 6.656 -5.668 1.00 0.00 O ATOM 727 CB THR B 27 -6.109 5.416 -2.958 1.00 0.00 C ATOM 728 OG1 THR B 27 -4.746 5.068 -2.966 1.00 0.00 O ATOM 729 CG2 THR B 27 -6.832 4.445 -2.028 1.00 0.00 C ATOM 0 H THR B 27 -5.616 3.589 -4.666 1.00 0.00 H new ATOM 0 HA THR B 27 -7.782 5.414 -4.230 1.00 0.00 H new ATOM 0 HB THR B 27 -6.229 6.440 -2.604 1.00 0.00 H new ATOM 0 HG1 THR B 27 -4.392 5.113 -2.053 1.00 0.00 H new ATOM 0 HG21 THR B 27 -6.394 4.501 -1.031 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.888 4.710 -1.976 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.731 3.430 -2.412 1.00 0.00 H new ATOM 737 N PRO B 28 -7.264 7.496 -5.513 1.00 0.00 N ATOM 738 CA PRO B 28 -7.133 8.532 -6.533 1.00 0.00 C ATOM 739 C PRO B 28 -6.432 9.788 -5.983 1.00 0.00 C ATOM 740 O PRO B 28 -5.491 9.711 -5.195 1.00 0.00 O ATOM 741 CB PRO B 28 -8.579 8.738 -7.018 1.00 0.00 C ATOM 742 CG PRO B 28 -9.371 8.636 -5.722 1.00 0.00 C ATOM 743 CD PRO B 28 -8.641 7.496 -5.014 1.00 0.00 C ATOM 0 HA PRO B 28 -6.486 8.262 -7.368 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -8.712 9.706 -7.501 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -8.879 7.978 -7.739 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -9.341 9.562 -5.148 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -10.421 8.404 -5.899 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -8.660 7.638 -3.933 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -9.126 6.541 -5.219 1.00 0.00 H new ATOM 751 N LYS B 29 -6.897 10.959 -6.421 1.00 0.00 N ATOM 752 CA LYS B 29 -6.404 12.309 -6.129 1.00 0.00 C ATOM 753 C LYS B 29 -6.641 12.795 -4.677 1.00 0.00 C ATOM 754 O LYS B 29 -6.497 13.989 -4.389 1.00 0.00 O ATOM 755 CB LYS B 29 -7.094 13.214 -7.172 1.00 0.00 C ATOM 756 CG LYS B 29 -6.603 13.016 -8.620 1.00 0.00 C ATOM 757 CD LYS B 29 -5.216 13.633 -8.846 1.00 0.00 C ATOM 758 CE LYS B 29 -4.716 13.371 -10.274 1.00 0.00 C ATOM 759 NZ LYS B 29 -3.403 14.022 -10.505 1.00 0.00 N ATOM 0 H LYS B 29 -7.702 10.991 -7.047 1.00 0.00 H new ATOM 0 HA LYS B 29 -5.317 12.333 -6.201 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -8.168 13.031 -7.138 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -6.939 14.255 -6.889 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -6.568 11.951 -8.848 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -7.317 13.466 -9.310 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -5.259 14.707 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -4.509 13.217 -8.128 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -4.628 12.297 -10.441 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -5.444 13.747 -10.993 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -2.961 13.620 -11.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -3.541 15.044 -10.636 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -2.785 13.859 -9.684 1.00 0.00 H new ATOM 773 N THR B 30 -7.023 11.892 -3.764 1.00 0.00 N ATOM 774 CA THR B 30 -7.231 12.142 -2.323 1.00 0.00 C ATOM 775 C THR B 30 -5.995 12.692 -1.601 1.00 0.00 C ATOM 776 O THR B 30 -6.168 13.521 -0.679 1.00 0.00 O ATOM 777 CB THR B 30 -7.720 10.877 -1.606 1.00 0.00 C ATOM 778 OG1 THR B 30 -6.957 9.749 -1.993 1.00 0.00 O ATOM 779 CG2 THR B 30 -9.182 10.578 -1.939 1.00 0.00 C ATOM 780 OXT THR B 30 -4.857 12.307 -1.957 1.00 0.00 O ATOM 0 H THR B 30 -7.205 10.921 -4.017 1.00 0.00 H new ATOM 0 HA THR B 30 -7.997 12.916 -2.278 1.00 0.00 H new ATOM 0 HB THR B 30 -7.610 11.064 -0.538 1.00 0.00 H new ATOM 0 HG1 THR B 30 -7.285 8.955 -1.522 1.00 0.00 H new ATOM 0 HG21 THR B 30 -9.497 9.676 -1.415 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.805 11.416 -1.626 1.00 0.00 H new ATOM 0 HG23 THR B 30 -9.287 10.429 -3.014 1.00 0.00 H new TER 788 THR B 30