USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 382 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 21 ASN : amide:sc= 0.61 K(o=1.4,f=-5.8!) USER MOD Set 1.2: B 52 GLN : amide:sc= 0.821 K(o=1.4,f=-9.4!) USER MOD Set 2.1: A 8 THR OG1 : rot -105:sc= 1.23 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 12 SER OG : rot 180:sc= 0.139 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.42) USER MOD Single : B 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 HIS : no HD1:sc=-0.00464 K(o=-0.0046,f=-0.75) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= -0.0929 X(o=-0.093,f=-0.013) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0.0138 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.667 0.754 -3.233 1.00 25.00 N ATOM 2 CA GLY A 1 2.566 0.609 -2.037 1.00 25.00 C ATOM 3 C GLY A 1 3.464 -0.608 -2.008 1.00 25.00 C ATOM 4 O GLY A 1 3.143 -1.652 -2.526 1.00 25.00 O ATOM 0 H1 GLY A 1 1.102 1.622 -3.140 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.244 0.808 -4.097 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.032 -0.067 -3.292 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.194 1.497 -1.973 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.943 0.594 -1.143 1.00 25.00 H new ATOM 9 N ILE A 2 4.666 -0.417 -1.447 1.00 25.00 N ATOM 10 CA ILE A 2 5.706 -1.437 -1.410 1.00 25.00 C ATOM 11 C ILE A 2 5.167 -2.803 -0.931 1.00 25.00 C ATOM 12 O ILE A 2 5.530 -3.846 -1.475 1.00 25.00 O ATOM 13 CB ILE A 2 6.992 -0.945 -0.543 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.069 -2.041 -0.494 1.00 25.00 C ATOM 15 CG2 ILE A 2 6.602 -0.559 0.927 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.362 -1.649 0.310 1.00 25.00 C ATOM 0 H ILE A 2 4.939 0.460 -1.004 1.00 25.00 H new ATOM 0 HA ILE A 2 6.047 -1.585 -2.435 1.00 25.00 H new ATOM 0 HB ILE A 2 7.382 -0.059 -1.045 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.637 -2.937 -0.049 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.355 -2.298 -1.514 1.00 25.00 H new ATOM 0 HG21 ILE A 2 7.492 -0.237 1.467 1.00 25.00 H new ATOM 0 HG22 ILE A 2 5.875 0.253 0.909 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.167 -1.424 1.427 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.067 -2.480 0.293 1.00 25.00 H new ATOM 0 HD12 ILE A 2 9.822 -0.773 -0.146 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.094 -1.422 1.342 1.00 25.00 H new ATOM 28 N VAL A 3 4.335 -2.807 0.130 1.00 25.00 N ATOM 29 CA VAL A 3 3.849 -4.049 0.765 1.00 25.00 C ATOM 30 C VAL A 3 2.949 -4.854 -0.180 1.00 25.00 C ATOM 31 O VAL A 3 3.253 -6.014 -0.477 1.00 25.00 O ATOM 32 CB VAL A 3 3.085 -3.708 2.090 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.521 -4.970 2.837 1.00 25.00 C ATOM 34 CG2 VAL A 3 3.979 -2.889 3.046 1.00 25.00 C ATOM 0 H VAL A 3 3.983 -1.956 0.568 1.00 25.00 H new ATOM 0 HA VAL A 3 4.715 -4.669 0.998 1.00 25.00 H new ATOM 0 HB VAL A 3 2.224 -3.112 1.787 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.005 -4.655 3.744 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.822 -5.496 2.186 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.344 -5.635 3.099 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.426 -2.665 3.958 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.870 -3.465 3.294 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.272 -1.958 2.561 1.00 25.00 H new ATOM 44 N GLU A 4 1.910 -4.234 -0.723 1.00 25.00 N ATOM 45 CA GLU A 4 0.979 -4.970 -1.560 1.00 25.00 C ATOM 46 C GLU A 4 1.650 -5.340 -2.886 1.00 25.00 C ATOM 47 O GLU A 4 1.267 -6.321 -3.492 1.00 25.00 O ATOM 48 CB GLU A 4 -0.331 -4.167 -1.695 1.00 25.00 C ATOM 49 CG GLU A 4 -0.192 -2.878 -2.533 1.00 25.00 C ATOM 50 CD GLU A 4 -1.439 -2.053 -2.500 1.00 25.00 C ATOM 51 OE1 GLU A 4 -2.306 -2.253 -1.720 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.436 -1.102 -3.361 1.00 25.00 O ATOM 0 H GLU A 4 1.695 -3.244 -0.602 1.00 25.00 H new ATOM 0 HA GLU A 4 0.701 -5.920 -1.104 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.090 -4.804 -2.149 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.689 -3.904 -0.699 1.00 25.00 H new ATOM 0 HG2 GLU A 4 0.643 -2.288 -2.156 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.043 -3.140 -3.565 1.00 25.00 H new ATOM 60 N GLN A 5 2.637 -4.545 -3.327 1.00 25.00 N ATOM 61 CA GLN A 5 3.342 -4.857 -4.605 1.00 25.00 C ATOM 62 C GLN A 5 4.215 -6.104 -4.471 1.00 25.00 C ATOM 63 O GLN A 5 4.216 -6.984 -5.325 1.00 25.00 O ATOM 64 CB GLN A 5 4.216 -3.681 -4.969 1.00 25.00 C ATOM 65 CG GLN A 5 3.430 -2.535 -5.588 1.00 25.00 C ATOM 66 CD GLN A 5 3.261 -2.683 -7.081 1.00 25.00 C ATOM 67 OE1 GLN A 5 2.885 -3.744 -7.583 1.00 25.00 O ATOM 68 NE2 GLN A 5 3.429 -1.601 -7.818 1.00 25.00 N ATOM 0 H GLN A 5 2.965 -3.707 -2.846 1.00 25.00 H new ATOM 0 HA GLN A 5 2.597 -5.046 -5.378 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.728 -3.324 -4.076 1.00 25.00 H new ATOM 0 HB3 GLN A 5 4.985 -4.008 -5.668 1.00 25.00 H new ATOM 0 HG2 GLN A 5 2.448 -2.479 -5.119 1.00 25.00 H new ATOM 0 HG3 GLN A 5 3.939 -1.595 -5.376 1.00 25.00 H new ATOM 0 HE21 GLN A 5 3.741 -0.732 -7.384 1.00 25.00 H new ATOM 0 HE22 GLN A 5 3.247 -1.634 -8.821 1.00 25.00 H new ATOM 77 N CYS A 6 4.931 -6.194 -3.352 1.00 25.00 N ATOM 78 CA CYS A 6 5.917 -7.275 -3.117 1.00 25.00 C ATOM 79 C CYS A 6 5.269 -8.549 -2.581 1.00 25.00 C ATOM 80 O CYS A 6 5.700 -9.652 -2.884 1.00 25.00 O ATOM 81 CB CYS A 6 6.974 -6.732 -2.121 1.00 25.00 C ATOM 82 SG CYS A 6 8.480 -7.752 -1.805 1.00 25.00 S ATOM 0 H CYS A 6 4.854 -5.531 -2.581 1.00 25.00 H new ATOM 0 HA CYS A 6 6.380 -7.553 -4.064 1.00 25.00 H new ATOM 0 HB2 CYS A 6 7.302 -5.757 -2.482 1.00 25.00 H new ATOM 0 HB3 CYS A 6 6.477 -6.567 -1.165 1.00 25.00 H new ATOM 87 N CYS A 7 4.184 -8.409 -1.839 1.00 25.00 N ATOM 88 CA CYS A 7 3.445 -9.575 -1.337 1.00 25.00 C ATOM 89 C CYS A 7 2.696 -10.407 -2.408 1.00 25.00 C ATOM 90 O CYS A 7 2.681 -11.672 -2.342 1.00 25.00 O ATOM 91 CB CYS A 7 2.381 -9.124 -0.346 1.00 25.00 C ATOM 92 SG CYS A 7 1.537 -10.525 0.392 1.00 25.00 S ATOM 0 H CYS A 7 3.790 -7.508 -1.567 1.00 25.00 H new ATOM 0 HA CYS A 7 4.220 -10.206 -0.901 1.00 25.00 H new ATOM 0 HB2 CYS A 7 2.843 -8.522 0.437 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.656 -8.487 -0.853 1.00 25.00 H new ATOM 97 N THR A 8 2.048 -9.718 -3.326 1.00 25.00 N ATOM 98 CA THR A 8 1.163 -10.362 -4.315 1.00 25.00 C ATOM 99 C THR A 8 1.965 -10.967 -5.478 1.00 25.00 C ATOM 100 O THR A 8 1.380 -11.646 -6.333 1.00 25.00 O ATOM 101 CB THR A 8 0.161 -9.342 -4.884 1.00 25.00 C ATOM 102 OG1 THR A 8 0.911 -8.218 -5.370 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.828 -8.863 -3.815 1.00 25.00 C ATOM 0 H THR A 8 2.109 -8.704 -3.419 1.00 25.00 H new ATOM 0 HA THR A 8 0.630 -11.161 -3.799 1.00 25.00 H new ATOM 0 HB THR A 8 -0.416 -9.814 -5.679 1.00 25.00 H new ATOM 0 HG1 THR A 8 0.812 -7.466 -4.750 1.00 25.00 H new ATOM 0 HG21 THR A 8 -1.519 -8.144 -4.255 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.388 -9.715 -3.429 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.281 -8.389 -3.000 1.00 25.00 H new ATOM 111 N SER A 9 3.268 -10.744 -5.487 1.00 25.00 N ATOM 112 CA SER A 9 4.125 -11.213 -6.596 1.00 25.00 C ATOM 113 C SER A 9 5.419 -11.796 -6.064 1.00 25.00 C ATOM 114 O SER A 9 5.706 -11.691 -4.884 1.00 25.00 O ATOM 115 CB SER A 9 4.472 -10.016 -7.504 1.00 25.00 C ATOM 116 OG SER A 9 3.307 -9.353 -7.948 1.00 25.00 O ATOM 0 H SER A 9 3.766 -10.245 -4.750 1.00 25.00 H new ATOM 0 HA SER A 9 3.585 -11.980 -7.151 1.00 25.00 H new ATOM 0 HB2 SER A 9 5.106 -9.316 -6.960 1.00 25.00 H new ATOM 0 HB3 SER A 9 5.045 -10.363 -8.364 1.00 25.00 H new ATOM 0 HG SER A 9 3.558 -8.598 -8.520 1.00 25.00 H new ATOM 122 N ILE A 10 6.142 -12.492 -6.919 1.00 25.00 N ATOM 123 CA ILE A 10 7.456 -12.963 -6.547 1.00 25.00 C ATOM 124 C ILE A 10 8.285 -11.689 -6.513 1.00 25.00 C ATOM 125 O ILE A 10 8.342 -10.933 -7.501 1.00 25.00 O ATOM 126 CB ILE A 10 8.024 -13.952 -7.610 1.00 25.00 C ATOM 127 CG1 ILE A 10 7.190 -15.269 -7.656 1.00 25.00 C ATOM 128 CG2 ILE A 10 9.549 -14.325 -7.208 1.00 25.00 C ATOM 129 CD1 ILE A 10 7.235 -16.153 -6.352 1.00 25.00 C ATOM 0 H ILE A 10 5.845 -12.740 -7.863 1.00 25.00 H new ATOM 0 HA ILE A 10 7.456 -13.508 -5.603 1.00 25.00 H new ATOM 0 HB ILE A 10 7.978 -13.474 -8.588 1.00 25.00 H new ATOM 0 HG12 ILE A 10 6.151 -15.012 -7.863 1.00 25.00 H new ATOM 0 HG13 ILE A 10 7.542 -15.871 -8.493 1.00 25.00 H new ATOM 0 HG21 ILE A 10 9.960 -15.017 -7.943 1.00 25.00 H new ATOM 0 HG22 ILE A 10 10.152 -13.417 -7.187 1.00 25.00 H new ATOM 0 HG23 ILE A 10 9.562 -14.792 -6.223 1.00 25.00 H new ATOM 0 HD11 ILE A 10 6.621 -17.043 -6.494 1.00 25.00 H new ATOM 0 HD12 ILE A 10 8.264 -16.450 -6.149 1.00 25.00 H new ATOM 0 HD13 ILE A 10 6.851 -15.578 -5.509 1.00 25.00 H new ATOM 141 N CYS A 11 8.894 -11.457 -5.377 1.00 25.00 N ATOM 142 CA CYS A 11 9.679 -10.267 -5.202 1.00 25.00 C ATOM 143 C CYS A 11 11.117 -10.458 -5.748 1.00 25.00 C ATOM 144 O CYS A 11 11.927 -11.187 -5.131 1.00 25.00 O ATOM 145 CB CYS A 11 9.723 -9.829 -3.720 1.00 25.00 C ATOM 146 SG CYS A 11 9.434 -8.032 -3.562 1.00 25.00 S ATOM 0 H CYS A 11 8.860 -12.074 -4.566 1.00 25.00 H new ATOM 0 HA CYS A 11 9.194 -9.476 -5.775 1.00 25.00 H new ATOM 0 HB2 CYS A 11 8.968 -10.374 -3.153 1.00 25.00 H new ATOM 0 HB3 CYS A 11 10.691 -10.085 -3.290 1.00 25.00 H new ATOM 151 N SER A 12 11.425 -9.768 -6.855 1.00 25.00 N ATOM 152 CA SER A 12 12.737 -9.838 -7.457 1.00 25.00 C ATOM 153 C SER A 12 13.781 -9.117 -6.583 1.00 25.00 C ATOM 154 O SER A 12 13.530 -8.034 -6.111 1.00 25.00 O ATOM 155 CB SER A 12 12.721 -9.230 -8.854 1.00 25.00 C ATOM 156 OG SER A 12 11.490 -8.545 -9.123 1.00 25.00 O ATOM 0 H SER A 12 10.771 -9.156 -7.343 1.00 25.00 H new ATOM 0 HA SER A 12 13.013 -10.890 -7.534 1.00 25.00 H new ATOM 0 HB2 SER A 12 13.554 -8.535 -8.957 1.00 25.00 H new ATOM 0 HB3 SER A 12 12.869 -10.016 -9.594 1.00 25.00 H new ATOM 0 HG SER A 12 11.517 -8.167 -10.027 1.00 25.00 H new ATOM 162 N LEU A 13 14.996 -9.643 -6.505 1.00 25.00 N ATOM 163 CA LEU A 13 16.046 -8.975 -5.765 1.00 25.00 C ATOM 164 C LEU A 13 16.314 -7.580 -6.320 1.00 25.00 C ATOM 165 O LEU A 13 16.366 -6.616 -5.559 1.00 25.00 O ATOM 166 CB LEU A 13 17.317 -9.868 -5.728 1.00 25.00 C ATOM 167 CG LEU A 13 18.546 -9.294 -4.983 1.00 25.00 C ATOM 168 CD1 LEU A 13 18.297 -9.123 -3.437 1.00 25.00 C ATOM 169 CD2 LEU A 13 19.757 -10.226 -5.175 1.00 25.00 C ATOM 0 H LEU A 13 15.273 -10.522 -6.942 1.00 25.00 H new ATOM 0 HA LEU A 13 15.721 -8.828 -4.735 1.00 25.00 H new ATOM 0 HB2 LEU A 13 17.052 -10.819 -5.266 1.00 25.00 H new ATOM 0 HB3 LEU A 13 17.612 -10.084 -6.755 1.00 25.00 H new ATOM 0 HG LEU A 13 18.734 -8.309 -5.409 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.193 -8.717 -2.967 1.00 25.00 H new ATOM 0 HD12 LEU A 13 17.462 -8.441 -3.276 1.00 25.00 H new ATOM 0 HD13 LEU A 13 18.064 -10.092 -2.997 1.00 25.00 H new ATOM 0 HD21 LEU A 13 20.619 -9.816 -4.648 1.00 25.00 H new ATOM 0 HD22 LEU A 13 19.523 -11.213 -4.776 1.00 25.00 H new ATOM 0 HD23 LEU A 13 19.987 -10.309 -6.237 1.00 25.00 H new ATOM 181 N TYR A 14 16.442 -7.473 -7.655 1.00 25.00 N ATOM 182 CA TYR A 14 16.711 -6.197 -8.297 1.00 25.00 C ATOM 183 C TYR A 14 15.676 -5.120 -7.959 1.00 25.00 C ATOM 184 O TYR A 14 16.013 -3.952 -7.802 1.00 25.00 O ATOM 185 CB TYR A 14 16.827 -6.343 -9.808 1.00 25.00 C ATOM 186 CG TYR A 14 17.391 -5.087 -10.495 1.00 25.00 C ATOM 187 CD1 TYR A 14 16.526 -4.060 -10.898 1.00 25.00 C ATOM 188 CD2 TYR A 14 18.784 -4.897 -10.680 1.00 25.00 C ATOM 189 CE1 TYR A 14 17.029 -2.831 -11.488 1.00 25.00 C ATOM 190 CE2 TYR A 14 19.299 -3.678 -11.238 1.00 25.00 C ATOM 191 CZ TYR A 14 18.398 -2.664 -11.637 1.00 25.00 C ATOM 192 OH TYR A 14 18.800 -1.442 -12.197 1.00 25.00 O ATOM 0 H TYR A 14 16.362 -8.260 -8.299 1.00 25.00 H new ATOM 0 HA TYR A 14 17.669 -5.867 -7.894 1.00 25.00 H new ATOM 0 HB2 TYR A 14 17.469 -7.194 -10.036 1.00 25.00 H new ATOM 0 HB3 TYR A 14 15.844 -6.565 -10.222 1.00 25.00 H new ATOM 0 HD1 TYR A 14 15.461 -4.185 -10.767 1.00 25.00 H new ATOM 0 HD2 TYR A 14 19.469 -5.682 -10.397 1.00 25.00 H new ATOM 0 HE1 TYR A 14 16.346 -2.058 -11.806 1.00 25.00 H new ATOM 0 HE2 TYR A 14 20.364 -3.537 -11.352 1.00 25.00 H new ATOM 0 HH TYR A 14 19.778 -1.417 -12.261 1.00 25.00 H new ATOM 202 N GLN A 15 14.408 -5.503 -7.871 1.00 25.00 N ATOM 203 CA GLN A 15 13.350 -4.573 -7.513 1.00 25.00 C ATOM 204 C GLN A 15 13.435 -4.232 -6.015 1.00 25.00 C ATOM 205 O GLN A 15 13.217 -3.066 -5.643 1.00 25.00 O ATOM 206 CB GLN A 15 12.013 -5.239 -7.836 1.00 25.00 C ATOM 207 CG GLN A 15 10.813 -4.280 -7.779 1.00 25.00 C ATOM 208 CD GLN A 15 9.520 -4.988 -8.141 1.00 25.00 C ATOM 209 OE1 GLN A 15 8.991 -5.739 -7.404 1.00 25.00 O ATOM 210 NE2 GLN A 15 9.088 -4.818 -9.357 1.00 25.00 N ATOM 0 H GLN A 15 14.089 -6.456 -8.044 1.00 25.00 H new ATOM 0 HA GLN A 15 13.450 -3.644 -8.074 1.00 25.00 H new ATOM 0 HB2 GLN A 15 12.068 -5.679 -8.832 1.00 25.00 H new ATOM 0 HB3 GLN A 15 11.846 -6.057 -7.135 1.00 25.00 H new ATOM 0 HG2 GLN A 15 10.730 -3.858 -6.778 1.00 25.00 H new ATOM 0 HG3 GLN A 15 10.978 -3.448 -8.463 1.00 25.00 H new ATOM 0 HE21 GLN A 15 9.561 -4.162 -9.979 1.00 25.00 H new ATOM 0 HE22 GLN A 15 8.277 -5.340 -9.688 1.00 25.00 H new ATOM 219 N LEU A 16 13.708 -5.229 -5.185 1.00 25.00 N ATOM 220 CA LEU A 16 13.797 -5.017 -3.728 1.00 25.00 C ATOM 221 C LEU A 16 14.971 -4.098 -3.403 1.00 25.00 C ATOM 222 O LEU A 16 14.927 -3.305 -2.496 1.00 25.00 O ATOM 223 CB LEU A 16 13.973 -6.380 -3.026 1.00 25.00 C ATOM 224 CG LEU A 16 13.775 -6.364 -1.495 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.440 -6.995 -1.071 1.00 25.00 C ATOM 226 CD2 LEU A 16 14.896 -7.135 -0.796 1.00 25.00 C ATOM 0 H LEU A 16 13.872 -6.191 -5.483 1.00 25.00 H new ATOM 0 HA LEU A 16 12.881 -4.545 -3.372 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.266 -7.087 -3.460 1.00 25.00 H new ATOM 0 HB3 LEU A 16 14.973 -6.755 -3.243 1.00 25.00 H new ATOM 0 HG LEU A 16 13.784 -5.314 -1.201 1.00 25.00 H new ATOM 0 HD11 LEU A 16 12.349 -6.959 0.015 1.00 25.00 H new ATOM 0 HD12 LEU A 16 11.616 -6.442 -1.523 1.00 25.00 H new ATOM 0 HD13 LEU A 16 12.406 -8.032 -1.404 1.00 25.00 H new ATOM 0 HD21 LEU A 16 14.737 -7.111 0.282 1.00 25.00 H new ATOM 0 HD22 LEU A 16 14.896 -8.169 -1.140 1.00 25.00 H new ATOM 0 HD23 LEU A 16 15.856 -6.675 -1.031 1.00 25.00 H new ATOM 238 N GLU A 17 15.980 -4.146 -4.250 1.00 25.00 N ATOM 239 CA GLU A 17 17.142 -3.285 -4.120 1.00 25.00 C ATOM 240 C GLU A 17 16.781 -1.821 -4.320 1.00 25.00 C ATOM 241 O GLU A 17 17.519 -0.973 -3.920 1.00 25.00 O ATOM 242 CB GLU A 17 18.240 -3.699 -5.133 1.00 25.00 C ATOM 243 CG GLU A 17 19.370 -4.494 -4.504 1.00 25.00 C ATOM 244 CD GLU A 17 20.384 -3.606 -3.787 1.00 25.00 C ATOM 245 OE1 GLU A 17 20.693 -3.776 -2.666 1.00 25.00 O ATOM 246 OE2 GLU A 17 20.898 -2.707 -4.560 1.00 25.00 O ATOM 0 H GLU A 17 16.019 -4.781 -5.047 1.00 25.00 H new ATOM 0 HA GLU A 17 17.524 -3.404 -3.106 1.00 25.00 H new ATOM 0 HB2 GLU A 17 17.787 -4.292 -5.927 1.00 25.00 H new ATOM 0 HB3 GLU A 17 18.651 -2.803 -5.599 1.00 25.00 H new ATOM 0 HG2 GLU A 17 18.955 -5.210 -3.795 1.00 25.00 H new ATOM 0 HG3 GLU A 17 19.879 -5.069 -5.277 1.00 25.00 H new ATOM 254 N ASN A 18 15.658 -1.506 -4.963 1.00 25.00 N ATOM 255 CA ASN A 18 15.333 -0.120 -5.220 1.00 25.00 C ATOM 256 C ASN A 18 14.883 0.530 -3.891 1.00 25.00 C ATOM 257 O ASN A 18 14.906 1.731 -3.760 1.00 25.00 O ATOM 258 CB ASN A 18 14.201 -0.051 -6.232 1.00 25.00 C ATOM 259 CG ASN A 18 14.121 1.286 -6.897 1.00 25.00 C ATOM 260 OD1 ASN A 18 13.350 2.118 -6.508 1.00 25.00 O ATOM 261 ND2 ASN A 18 14.916 1.490 -7.900 1.00 25.00 N ATOM 0 H ASN A 18 14.976 -2.182 -5.306 1.00 25.00 H new ATOM 0 HA ASN A 18 16.201 0.407 -5.617 1.00 25.00 H new ATOM 0 HB2 ASN A 18 14.344 -0.823 -6.988 1.00 25.00 H new ATOM 0 HB3 ASN A 18 13.256 -0.264 -5.733 1.00 25.00 H new ATOM 0 HD21 ASN A 18 14.900 2.385 -8.389 1.00 25.00 H new ATOM 0 HD22 ASN A 18 15.557 0.756 -8.200 1.00 25.00 H new ATOM 268 N TYR A 19 14.529 -0.305 -2.932 1.00 25.00 N ATOM 269 CA TYR A 19 14.096 0.131 -1.608 1.00 25.00 C ATOM 270 C TYR A 19 15.279 0.099 -0.643 1.00 25.00 C ATOM 271 O TYR A 19 15.117 0.232 0.552 1.00 25.00 O ATOM 272 CB TYR A 19 13.001 -0.820 -1.037 1.00 25.00 C ATOM 273 CG TYR A 19 11.836 -1.042 -1.962 1.00 25.00 C ATOM 274 CD1 TYR A 19 10.891 -0.034 -2.220 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.657 -2.300 -2.569 1.00 25.00 C ATOM 276 CE1 TYR A 19 9.792 -0.258 -3.103 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.525 -2.554 -3.450 1.00 25.00 C ATOM 278 CZ TYR A 19 9.626 -1.501 -3.696 1.00 25.00 C ATOM 279 OH TYR A 19 8.539 -1.648 -4.560 1.00 25.00 O ATOM 0 H TYR A 19 14.532 -1.318 -3.047 1.00 25.00 H new ATOM 0 HA TYR A 19 13.696 1.140 -1.707 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.456 -1.783 -0.806 1.00 25.00 H new ATOM 0 HB3 TYR A 19 12.632 -0.409 -0.098 1.00 25.00 H new ATOM 0 HD1 TYR A 19 10.998 0.928 -1.741 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.370 -3.089 -2.378 1.00 25.00 H new ATOM 0 HE1 TYR A 19 9.092 0.538 -3.309 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.380 -3.524 -3.902 1.00 25.00 H new ATOM 0 HH TYR A 19 8.526 -2.561 -4.916 1.00 25.00 H new ATOM 289 N CYS A 20 16.494 -0.124 -1.174 1.00 25.00 N ATOM 290 CA CYS A 20 17.665 -0.228 -0.338 1.00 25.00 C ATOM 291 C CYS A 20 17.880 1.105 0.467 1.00 25.00 C ATOM 292 O CYS A 20 17.938 2.194 -0.057 1.00 25.00 O ATOM 293 CB CYS A 20 18.875 -0.499 -1.237 1.00 25.00 C ATOM 294 SG CYS A 20 20.464 -0.425 -0.400 1.00 25.00 S ATOM 0 H CYS A 20 16.673 -0.233 -2.172 1.00 25.00 H new ATOM 0 HA CYS A 20 17.539 -1.041 0.378 1.00 25.00 H new ATOM 0 HB2 CYS A 20 18.762 -1.485 -1.687 1.00 25.00 H new ATOM 0 HB3 CYS A 20 18.875 0.225 -2.052 1.00 25.00 H new ATOM 299 N ASN A 21 17.951 0.968 1.783 1.00 25.00 N ATOM 300 CA ASN A 21 18.140 2.083 2.730 1.00 25.00 C ATOM 301 C ASN A 21 19.617 2.310 3.025 1.00 25.00 C ATOM 302 O ASN A 21 20.450 1.425 2.887 1.00 25.00 O ATOM 303 CB ASN A 21 17.355 1.843 4.065 1.00 25.00 C ATOM 304 CG ASN A 21 16.898 3.154 4.665 1.00 25.00 C ATOM 305 OD1 ASN A 21 17.383 4.234 4.408 1.00 25.00 O ATOM 306 ND2 ASN A 21 15.893 3.044 5.551 1.00 25.00 N ATOM 307 OXT ASN A 21 19.896 3.534 3.427 1.00 25.00 O ATOM 0 H ASN A 21 17.878 0.061 2.244 1.00 25.00 H new ATOM 0 HA ASN A 21 17.739 2.978 2.255 1.00 25.00 H new ATOM 0 HB2 ASN A 21 16.492 1.205 3.875 1.00 25.00 H new ATOM 0 HB3 ASN A 21 17.991 1.315 4.776 1.00 25.00 H new ATOM 0 HD21 ASN A 21 15.530 3.876 6.016 1.00 25.00 H new ATOM 0 HD22 ASN A 21 15.494 2.129 5.758 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 20.193 -16.318 -4.219 1.00 25.00 N ATOM 317 CA PHE B 31 19.091 -15.594 -3.528 1.00 25.00 C ATOM 318 C PHE B 31 17.762 -16.323 -3.493 1.00 25.00 C ATOM 319 O PHE B 31 17.208 -16.727 -4.478 1.00 25.00 O ATOM 320 CB PHE B 31 18.916 -14.156 -4.112 1.00 25.00 C ATOM 321 CG PHE B 31 17.974 -13.285 -3.325 1.00 25.00 C ATOM 322 CD1 PHE B 31 18.350 -12.720 -2.081 1.00 25.00 C ATOM 323 CD2 PHE B 31 16.667 -13.096 -3.776 1.00 25.00 C ATOM 324 CE1 PHE B 31 17.404 -12.001 -1.324 1.00 25.00 C ATOM 325 CE2 PHE B 31 15.758 -12.347 -3.034 1.00 25.00 C ATOM 326 CZ PHE B 31 16.111 -11.798 -1.800 1.00 25.00 C ATOM 0 HA PHE B 31 19.408 -15.535 -2.487 1.00 25.00 H new ATOM 0 HB2 PHE B 31 19.891 -13.672 -4.155 1.00 25.00 H new ATOM 0 HB3 PHE B 31 18.553 -14.233 -5.137 1.00 25.00 H new ATOM 0 HD1 PHE B 31 19.359 -12.840 -1.714 1.00 25.00 H new ATOM 0 HD2 PHE B 31 16.357 -13.536 -4.712 1.00 25.00 H new ATOM 0 HE1 PHE B 31 17.686 -11.602 -0.361 1.00 25.00 H new ATOM 0 HE2 PHE B 31 14.762 -12.188 -3.420 1.00 25.00 H new ATOM 0 HZ PHE B 31 15.396 -11.227 -1.226 1.00 25.00 H new ATOM 337 N VAL B 32 17.291 -16.509 -2.297 1.00 25.00 N ATOM 338 CA VAL B 32 16.019 -17.187 -2.094 1.00 25.00 C ATOM 339 C VAL B 32 14.922 -16.126 -2.373 1.00 25.00 C ATOM 340 O VAL B 32 14.971 -15.034 -1.829 1.00 25.00 O ATOM 341 CB VAL B 32 15.939 -17.758 -0.628 1.00 25.00 C ATOM 342 CG1 VAL B 32 14.526 -18.277 -0.309 1.00 25.00 C ATOM 343 CG2 VAL B 32 16.962 -18.866 -0.437 1.00 25.00 C ATOM 0 H VAL B 32 17.756 -16.207 -1.441 1.00 25.00 H new ATOM 0 HA VAL B 32 15.893 -18.042 -2.758 1.00 25.00 H new ATOM 0 HB VAL B 32 16.164 -16.945 0.062 1.00 25.00 H new ATOM 0 HG11 VAL B 32 14.502 -18.665 0.709 1.00 25.00 H new ATOM 0 HG12 VAL B 32 13.809 -17.462 -0.404 1.00 25.00 H new ATOM 0 HG13 VAL B 32 14.265 -19.073 -1.006 1.00 25.00 H new ATOM 0 HG21 VAL B 32 16.895 -19.251 0.580 1.00 25.00 H new ATOM 0 HG22 VAL B 32 16.762 -19.671 -1.144 1.00 25.00 H new ATOM 0 HG23 VAL B 32 17.963 -18.471 -0.611 1.00 25.00 H new ATOM 353 N ASN B 33 13.958 -16.454 -3.227 1.00 25.00 N ATOM 354 CA ASN B 33 12.817 -15.547 -3.527 1.00 25.00 C ATOM 355 C ASN B 33 11.510 -16.095 -2.936 1.00 25.00 C ATOM 356 O ASN B 33 11.226 -17.266 -2.928 1.00 25.00 O ATOM 357 CB ASN B 33 12.594 -15.325 -5.015 1.00 25.00 C ATOM 358 CG ASN B 33 12.255 -16.591 -5.781 1.00 25.00 C ATOM 359 OD1 ASN B 33 11.123 -17.047 -5.798 1.00 25.00 O ATOM 360 ND2 ASN B 33 13.221 -17.116 -6.498 1.00 25.00 N ATOM 0 H ASN B 33 13.930 -17.339 -3.733 1.00 25.00 H new ATOM 0 HA ASN B 33 13.085 -14.594 -3.072 1.00 25.00 H new ATOM 0 HB2 ASN B 33 11.787 -14.604 -5.148 1.00 25.00 H new ATOM 0 HB3 ASN B 33 13.492 -14.881 -5.445 1.00 25.00 H new ATOM 0 HD21 ASN B 33 13.035 -17.926 -7.089 1.00 25.00 H new ATOM 0 HD22 ASN B 33 14.158 -16.714 -6.464 1.00 25.00 H new ATOM 367 N GLN B 34 10.723 -15.191 -2.377 1.00 25.00 N ATOM 368 CA GLN B 34 9.430 -15.555 -1.750 1.00 25.00 C ATOM 369 C GLN B 34 8.384 -14.453 -2.046 1.00 25.00 C ATOM 370 O GLN B 34 8.737 -13.367 -2.533 1.00 25.00 O ATOM 371 CB GLN B 34 9.568 -15.684 -0.206 1.00 25.00 C ATOM 372 CG GLN B 34 10.540 -16.783 0.220 1.00 25.00 C ATOM 373 CD GLN B 34 10.815 -16.879 1.711 1.00 25.00 C ATOM 374 OE1 GLN B 34 11.930 -16.755 2.171 1.00 25.00 O ATOM 375 NE2 GLN B 34 9.748 -17.066 2.481 1.00 25.00 N ATOM 0 H GLN B 34 10.943 -14.196 -2.336 1.00 25.00 H new ATOM 0 HA GLN B 34 9.117 -16.513 -2.165 1.00 25.00 H new ATOM 0 HB2 GLN B 34 9.904 -14.731 0.203 1.00 25.00 H new ATOM 0 HB3 GLN B 34 8.588 -15.888 0.224 1.00 25.00 H new ATOM 0 HG2 GLN B 34 10.148 -17.741 -0.121 1.00 25.00 H new ATOM 0 HG3 GLN B 34 11.487 -16.625 -0.296 1.00 25.00 H new ATOM 0 HE21 GLN B 34 8.825 -17.166 2.058 1.00 25.00 H new ATOM 0 HE22 GLN B 34 9.852 -17.109 3.495 1.00 25.00 H new ATOM 384 N HIS B 35 7.162 -14.674 -1.613 1.00 25.00 N ATOM 385 CA HIS B 35 6.100 -13.623 -1.562 1.00 25.00 C ATOM 386 C HIS B 35 6.241 -12.865 -0.265 1.00 25.00 C ATOM 387 O HIS B 35 5.775 -13.282 0.795 1.00 25.00 O ATOM 388 CB HIS B 35 4.738 -14.256 -1.665 1.00 25.00 C ATOM 389 CG HIS B 35 4.484 -14.964 -2.971 1.00 25.00 C ATOM 390 ND1 HIS B 35 4.277 -14.291 -4.182 1.00 25.00 N ATOM 391 CD2 HIS B 35 4.333 -16.293 -3.296 1.00 25.00 C ATOM 392 CE1 HIS B 35 4.050 -15.199 -5.144 1.00 25.00 C ATOM 393 NE2 HIS B 35 4.029 -16.387 -4.619 1.00 25.00 N ATOM 0 H HIS B 35 6.848 -15.585 -1.278 1.00 25.00 H new ATOM 0 HA HIS B 35 6.212 -12.935 -2.400 1.00 25.00 H new ATOM 0 HB2 HIS B 35 4.618 -14.968 -0.849 1.00 25.00 H new ATOM 0 HB3 HIS B 35 3.980 -13.485 -1.529 1.00 25.00 H new ATOM 0 HD2 HIS B 35 4.438 -17.124 -2.614 1.00 25.00 H new ATOM 0 HE1 HIS B 35 3.907 -14.977 -6.191 1.00 25.00 H new ATOM 0 HE2 HIS B 35 3.819 -17.251 -5.118 1.00 25.00 H new ATOM 402 N LEU B 36 7.069 -11.835 -0.286 1.00 25.00 N ATOM 403 CA LEU B 36 7.504 -11.165 0.923 1.00 25.00 C ATOM 404 C LEU B 36 6.447 -10.122 1.192 1.00 25.00 C ATOM 405 O LEU B 36 6.288 -9.154 0.440 1.00 25.00 O ATOM 406 CB LEU B 36 8.866 -10.521 0.728 1.00 25.00 C ATOM 407 CG LEU B 36 10.111 -11.374 0.421 1.00 25.00 C ATOM 408 CD1 LEU B 36 11.197 -10.417 0.043 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.533 -12.304 1.534 1.00 25.00 C ATOM 0 H LEU B 36 7.458 -11.441 -1.143 1.00 25.00 H new ATOM 0 HA LEU B 36 7.615 -11.859 1.757 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.765 -9.800 -0.084 1.00 25.00 H new ATOM 0 HB3 LEU B 36 9.083 -9.954 1.633 1.00 25.00 H new ATOM 0 HG LEU B 36 9.877 -12.061 -0.392 1.00 25.00 H new ATOM 0 HD11 LEU B 36 12.107 -10.971 -0.186 1.00 25.00 H new ATOM 0 HD12 LEU B 36 10.890 -9.846 -0.833 1.00 25.00 H new ATOM 0 HD13 LEU B 36 11.386 -9.735 0.872 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.417 -12.862 1.226 1.00 25.00 H new ATOM 0 HD22 LEU B 36 10.764 -11.722 2.426 1.00 25.00 H new ATOM 0 HD23 LEU B 36 9.723 -12.999 1.754 1.00 25.00 H new ATOM 421 N CYS B 37 5.702 -10.348 2.267 1.00 25.00 N ATOM 422 CA CYS B 37 4.595 -9.468 2.647 1.00 25.00 C ATOM 423 C CYS B 37 4.847 -8.537 3.834 1.00 25.00 C ATOM 424 O CYS B 37 5.191 -7.412 3.622 1.00 25.00 O ATOM 425 CB CYS B 37 3.333 -10.327 2.835 1.00 25.00 C ATOM 426 SG CYS B 37 2.970 -11.490 1.431 1.00 25.00 S ATOM 0 H CYS B 37 5.843 -11.138 2.897 1.00 25.00 H new ATOM 0 HA CYS B 37 4.466 -8.761 1.827 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.438 -10.907 3.752 1.00 25.00 H new ATOM 0 HB3 CYS B 37 2.477 -9.666 2.972 1.00 25.00 H new ATOM 431 N GLY B 38 4.704 -9.003 5.075 1.00 25.00 N ATOM 432 CA GLY B 38 4.955 -8.105 6.229 1.00 25.00 C ATOM 433 C GLY B 38 6.302 -8.244 6.859 1.00 25.00 C ATOM 434 O GLY B 38 7.278 -7.634 6.418 1.00 25.00 O ATOM 0 H GLY B 38 4.428 -9.955 5.314 1.00 25.00 H new ATOM 0 HA2 GLY B 38 4.829 -7.073 5.901 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.195 -8.293 6.988 1.00 25.00 H new ATOM 438 N SER B 39 6.384 -9.063 7.918 1.00 25.00 N ATOM 439 CA SER B 39 7.656 -9.265 8.638 1.00 25.00 C ATOM 440 C SER B 39 8.775 -9.782 7.725 1.00 25.00 C ATOM 441 O SER B 39 9.882 -9.299 7.709 1.00 25.00 O ATOM 442 CB SER B 39 7.558 -10.233 9.798 1.00 25.00 C ATOM 443 OG SER B 39 8.859 -10.423 10.349 1.00 25.00 O ATOM 0 H SER B 39 5.597 -9.592 8.294 1.00 25.00 H new ATOM 0 HA SER B 39 7.890 -8.269 9.014 1.00 25.00 H new ATOM 0 HB2 SER B 39 6.880 -9.844 10.557 1.00 25.00 H new ATOM 0 HB3 SER B 39 7.148 -11.185 9.461 1.00 25.00 H new ATOM 0 HG SER B 39 8.807 -11.047 11.103 1.00 25.00 H new ATOM 449 N HIS B 40 8.425 -10.726 6.860 1.00 25.00 N ATOM 450 CA HIS B 40 9.384 -11.247 5.898 1.00 25.00 C ATOM 451 C HIS B 40 9.962 -10.140 5.009 1.00 25.00 C ATOM 452 O HIS B 40 11.086 -10.217 4.635 1.00 25.00 O ATOM 453 CB HIS B 40 8.802 -12.422 5.121 1.00 25.00 C ATOM 454 CG HIS B 40 8.704 -13.665 5.914 1.00 25.00 C ATOM 455 ND1 HIS B 40 7.903 -14.769 5.568 1.00 25.00 N ATOM 456 CD2 HIS B 40 9.296 -14.040 7.064 1.00 25.00 C ATOM 457 CE1 HIS B 40 8.033 -15.690 6.515 1.00 25.00 C ATOM 458 NE2 HIS B 40 8.903 -15.298 7.386 1.00 25.00 N ATOM 0 H HIS B 40 7.495 -11.142 6.806 1.00 25.00 H new ATOM 0 HA HIS B 40 10.237 -11.644 6.448 1.00 25.00 H new ATOM 0 HB2 HIS B 40 7.810 -12.152 4.760 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.421 -12.609 4.243 1.00 25.00 H new ATOM 0 HD2 HIS B 40 9.978 -13.433 7.641 1.00 25.00 H new ATOM 0 HE1 HIS B 40 7.494 -16.625 6.552 1.00 25.00 H new ATOM 0 HE2 HIS B 40 9.238 -15.842 8.181 1.00 25.00 H new ATOM 467 N LEU B 41 9.167 -9.136 4.629 1.00 25.00 N ATOM 468 CA LEU B 41 9.610 -8.107 3.673 1.00 25.00 C ATOM 469 C LEU B 41 10.729 -7.250 4.323 1.00 25.00 C ATOM 470 O LEU B 41 11.819 -7.119 3.725 1.00 25.00 O ATOM 471 CB LEU B 41 8.442 -7.230 3.247 1.00 25.00 C ATOM 472 CG LEU B 41 8.623 -6.290 2.006 1.00 25.00 C ATOM 473 CD1 LEU B 41 7.255 -5.823 1.483 1.00 25.00 C ATOM 474 CD2 LEU B 41 9.511 -5.079 2.375 1.00 25.00 C ATOM 0 H LEU B 41 8.213 -9.010 4.966 1.00 25.00 H new ATOM 0 HA LEU B 41 10.004 -8.594 2.781 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.593 -7.884 3.046 1.00 25.00 H new ATOM 0 HB3 LEU B 41 8.169 -6.606 4.098 1.00 25.00 H new ATOM 0 HG LEU B 41 9.118 -6.850 1.213 1.00 25.00 H new ATOM 0 HD11 LEU B 41 7.398 -5.171 0.621 1.00 25.00 H new ATOM 0 HD12 LEU B 41 6.663 -6.689 1.188 1.00 25.00 H new ATOM 0 HD13 LEU B 41 6.732 -5.277 2.268 1.00 25.00 H new ATOM 0 HD21 LEU B 41 9.628 -4.435 1.504 1.00 25.00 H new ATOM 0 HD22 LEU B 41 9.042 -4.516 3.182 1.00 25.00 H new ATOM 0 HD23 LEU B 41 10.490 -5.431 2.700 1.00 25.00 H new ATOM 486 N VAL B 42 10.450 -6.760 5.494 1.00 25.00 N ATOM 487 CA VAL B 42 11.391 -5.858 6.172 1.00 25.00 C ATOM 488 C VAL B 42 12.630 -6.692 6.623 1.00 25.00 C ATOM 489 O VAL B 42 13.759 -6.210 6.621 1.00 25.00 O ATOM 490 CB VAL B 42 10.754 -5.069 7.396 1.00 25.00 C ATOM 491 CG1 VAL B 42 9.703 -4.117 6.905 1.00 25.00 C ATOM 492 CG2 VAL B 42 10.074 -6.130 8.376 1.00 25.00 C ATOM 0 H VAL B 42 9.593 -6.955 6.012 1.00 25.00 H new ATOM 0 HA VAL B 42 11.684 -5.084 5.463 1.00 25.00 H new ATOM 0 HB VAL B 42 11.530 -4.505 7.913 1.00 25.00 H new ATOM 0 HG11 VAL B 42 9.273 -3.582 7.751 1.00 25.00 H new ATOM 0 HG12 VAL B 42 10.153 -3.403 6.215 1.00 25.00 H new ATOM 0 HG13 VAL B 42 8.919 -4.674 6.392 1.00 25.00 H new ATOM 0 HG21 VAL B 42 9.630 -5.609 9.224 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.298 -6.676 7.839 1.00 25.00 H new ATOM 0 HG23 VAL B 42 10.829 -6.830 8.735 1.00 25.00 H new ATOM 502 N GLU B 43 12.416 -7.970 6.896 1.00 25.00 N ATOM 503 CA GLU B 43 13.547 -8.851 7.297 1.00 25.00 C ATOM 504 C GLU B 43 14.509 -9.162 6.117 1.00 25.00 C ATOM 505 O GLU B 43 15.740 -9.094 6.249 1.00 25.00 O ATOM 506 CB GLU B 43 13.002 -10.141 7.867 1.00 25.00 C ATOM 507 CG GLU B 43 14.025 -10.980 8.529 1.00 25.00 C ATOM 508 CD GLU B 43 13.379 -12.127 9.282 1.00 25.00 C ATOM 509 OE1 GLU B 43 13.481 -12.324 10.453 1.00 25.00 O ATOM 510 OE2 GLU B 43 12.729 -12.958 8.532 1.00 25.00 O ATOM 0 H GLU B 43 11.505 -8.427 6.855 1.00 25.00 H new ATOM 0 HA GLU B 43 14.126 -8.317 8.051 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.217 -9.907 8.586 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.539 -10.715 7.065 1.00 25.00 H new ATOM 0 HG2 GLU B 43 14.717 -11.373 7.784 1.00 25.00 H new ATOM 0 HG3 GLU B 43 14.610 -10.371 9.218 1.00 25.00 H new ATOM 518 N ALA B 44 13.961 -9.401 4.949 1.00 25.00 N ATOM 519 CA ALA B 44 14.776 -9.628 3.784 1.00 25.00 C ATOM 520 C ALA B 44 15.457 -8.286 3.383 1.00 25.00 C ATOM 521 O ALA B 44 16.620 -8.238 3.047 1.00 25.00 O ATOM 522 CB ALA B 44 13.941 -10.150 2.658 1.00 25.00 C ATOM 0 H ALA B 44 12.956 -9.443 4.782 1.00 25.00 H new ATOM 0 HA ALA B 44 15.540 -10.373 4.007 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.571 -10.317 1.784 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.477 -11.090 2.955 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.166 -9.424 2.413 1.00 25.00 H new ATOM 528 N LEU B 45 14.733 -7.175 3.543 1.00 25.00 N ATOM 529 CA LEU B 45 15.290 -5.888 3.272 1.00 25.00 C ATOM 530 C LEU B 45 16.388 -5.529 4.269 1.00 25.00 C ATOM 531 O LEU B 45 17.363 -4.913 3.937 1.00 25.00 O ATOM 532 CB LEU B 45 14.176 -4.811 3.191 1.00 25.00 C ATOM 533 CG LEU B 45 14.617 -3.481 2.552 1.00 25.00 C ATOM 534 CD1 LEU B 45 15.104 -3.618 1.112 1.00 25.00 C ATOM 535 CD2 LEU B 45 13.433 -2.531 2.574 1.00 25.00 C ATOM 0 H LEU B 45 13.763 -7.162 3.859 1.00 25.00 H new ATOM 0 HA LEU B 45 15.770 -5.923 2.294 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.340 -5.214 2.620 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.808 -4.611 4.197 1.00 25.00 H new ATOM 0 HG LEU B 45 15.462 -3.111 3.133 1.00 25.00 H new ATOM 0 HD11 LEU B 45 15.397 -2.639 0.732 1.00 25.00 H new ATOM 0 HD12 LEU B 45 15.961 -4.291 1.080 1.00 25.00 H new ATOM 0 HD13 LEU B 45 14.302 -4.022 0.494 1.00 25.00 H new ATOM 0 HD21 LEU B 45 13.721 -1.580 2.126 1.00 25.00 H new ATOM 0 HD22 LEU B 45 12.608 -2.964 2.008 1.00 25.00 H new ATOM 0 HD23 LEU B 45 13.118 -2.366 3.604 1.00 25.00 H new ATOM 547 N TYR B 46 16.285 -6.021 5.500 1.00 25.00 N ATOM 548 CA TYR B 46 17.376 -5.896 6.440 1.00 25.00 C ATOM 549 C TYR B 46 18.662 -6.658 5.990 1.00 25.00 C ATOM 550 O TYR B 46 19.797 -6.173 6.154 1.00 25.00 O ATOM 551 CB TYR B 46 16.944 -6.385 7.811 1.00 25.00 C ATOM 552 CG TYR B 46 18.093 -6.420 8.790 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.543 -5.253 9.428 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.745 -7.630 9.026 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.635 -5.307 10.319 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.868 -7.679 9.886 1.00 25.00 C ATOM 557 CZ TYR B 46 20.287 -6.517 10.533 1.00 25.00 C ATOM 558 OH TYR B 46 21.368 -6.564 11.391 1.00 25.00 O ATOM 0 H TYR B 46 15.462 -6.504 5.860 1.00 25.00 H new ATOM 0 HA TYR B 46 17.630 -4.837 6.482 1.00 25.00 H new ATOM 0 HB2 TYR B 46 16.159 -5.734 8.197 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.515 -7.383 7.721 1.00 25.00 H new ATOM 0 HD1 TYR B 46 18.051 -4.311 9.236 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.392 -8.533 8.551 1.00 25.00 H new ATOM 0 HE1 TYR B 46 19.963 -4.415 10.832 1.00 25.00 H new ATOM 0 HE2 TYR B 46 20.396 -8.609 10.040 1.00 25.00 H new ATOM 0 HH TYR B 46 21.712 -7.481 11.434 1.00 25.00 H new ATOM 568 N LEU B 47 18.452 -7.861 5.432 1.00 25.00 N ATOM 569 CA LEU B 47 19.613 -8.640 4.966 1.00 25.00 C ATOM 570 C LEU B 47 20.308 -7.903 3.835 1.00 25.00 C ATOM 571 O LEU B 47 21.505 -8.010 3.685 1.00 25.00 O ATOM 572 CB LEU B 47 19.201 -10.022 4.430 1.00 25.00 C ATOM 573 CG LEU B 47 18.606 -10.869 5.562 1.00 25.00 C ATOM 574 CD1 LEU B 47 18.014 -12.242 5.014 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.663 -11.221 6.600 1.00 25.00 C ATOM 0 H LEU B 47 17.541 -8.299 5.296 1.00 25.00 H new ATOM 0 HA LEU B 47 20.273 -8.768 5.824 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.471 -9.907 3.629 1.00 25.00 H new ATOM 0 HB3 LEU B 47 20.067 -10.528 4.003 1.00 25.00 H new ATOM 0 HG LEU B 47 17.815 -10.266 6.008 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.601 -12.817 5.843 1.00 25.00 H new ATOM 0 HD12 LEU B 47 17.228 -12.035 4.288 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.808 -12.815 4.535 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.212 -11.822 7.390 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.464 -11.788 6.126 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.071 -10.306 7.029 1.00 25.00 H new ATOM 587 N VAL B 48 19.510 -7.271 2.972 1.00 25.00 N ATOM 588 CA VAL B 48 20.004 -6.586 1.761 1.00 25.00 C ATOM 589 C VAL B 48 20.580 -5.218 2.075 1.00 25.00 C ATOM 590 O VAL B 48 21.716 -4.942 1.721 1.00 25.00 O ATOM 591 CB VAL B 48 18.818 -6.458 0.705 1.00 25.00 C ATOM 592 CG1 VAL B 48 19.231 -5.697 -0.534 1.00 25.00 C ATOM 593 CG2 VAL B 48 18.387 -7.895 0.355 1.00 25.00 C ATOM 0 H VAL B 48 18.498 -7.216 3.088 1.00 25.00 H new ATOM 0 HA VAL B 48 20.812 -7.184 1.340 1.00 25.00 H new ATOM 0 HB VAL B 48 17.994 -5.889 1.134 1.00 25.00 H new ATOM 0 HG11 VAL B 48 18.388 -5.637 -1.222 1.00 25.00 H new ATOM 0 HG12 VAL B 48 19.544 -4.691 -0.255 1.00 25.00 H new ATOM 0 HG13 VAL B 48 20.059 -6.213 -1.019 1.00 25.00 H new ATOM 0 HG21 VAL B 48 17.573 -7.864 -0.369 1.00 25.00 H new ATOM 0 HG22 VAL B 48 19.232 -8.434 -0.072 1.00 25.00 H new ATOM 0 HG23 VAL B 48 18.051 -8.404 1.258 1.00 25.00 H new ATOM 603 N CYS B 49 19.813 -4.385 2.763 1.00 25.00 N ATOM 604 CA CYS B 49 20.271 -3.030 3.062 1.00 25.00 C ATOM 605 C CYS B 49 19.729 -2.555 4.369 1.00 25.00 C ATOM 606 O CYS B 49 19.129 -1.474 4.453 1.00 25.00 O ATOM 607 CB CYS B 49 19.822 -2.049 2.006 1.00 25.00 C ATOM 608 SG CYS B 49 20.706 -2.252 0.446 1.00 25.00 S ATOM 0 H CYS B 49 18.886 -4.615 3.121 1.00 25.00 H new ATOM 0 HA CYS B 49 21.360 -3.076 3.094 1.00 25.00 H new ATOM 0 HB2 CYS B 49 18.753 -2.173 1.832 1.00 25.00 H new ATOM 0 HB3 CYS B 49 19.970 -1.033 2.373 1.00 25.00 H new ATOM 613 N GLY B 50 19.947 -3.348 5.407 1.00 25.00 N ATOM 614 CA GLY B 50 19.547 -2.953 6.760 1.00 25.00 C ATOM 615 C GLY B 50 20.484 -2.002 7.426 1.00 25.00 C ATOM 616 O GLY B 50 20.891 -2.231 8.557 1.00 25.00 O ATOM 0 H GLY B 50 20.395 -4.263 5.346 1.00 25.00 H new ATOM 0 HA2 GLY B 50 18.558 -2.498 6.715 1.00 25.00 H new ATOM 0 HA3 GLY B 50 19.458 -3.848 7.376 1.00 25.00 H new ATOM 620 N GLU B 51 20.889 -0.961 6.701 1.00 25.00 N ATOM 621 CA GLU B 51 21.945 -0.042 7.166 1.00 25.00 C ATOM 622 C GLU B 51 21.656 0.547 8.577 1.00 25.00 C ATOM 623 O GLU B 51 22.470 0.490 9.462 1.00 25.00 O ATOM 624 CB GLU B 51 22.083 1.088 6.138 1.00 25.00 C ATOM 625 CG GLU B 51 23.525 1.288 5.591 1.00 25.00 C ATOM 626 CD GLU B 51 23.989 0.132 4.744 1.00 25.00 C ATOM 627 OE1 GLU B 51 23.359 -0.890 4.573 1.00 25.00 O ATOM 628 OE2 GLU B 51 25.156 0.293 4.198 1.00 25.00 O ATOM 0 H GLU B 51 20.505 -0.726 5.786 1.00 25.00 H new ATOM 0 HA GLU B 51 22.874 -0.605 7.256 1.00 25.00 H new ATOM 0 HB2 GLU B 51 21.415 0.884 5.301 1.00 25.00 H new ATOM 0 HB3 GLU B 51 21.748 2.020 6.594 1.00 25.00 H new ATOM 0 HG2 GLU B 51 23.562 2.204 5.001 1.00 25.00 H new ATOM 0 HG3 GLU B 51 24.212 1.420 6.427 1.00 25.00 H new ATOM 636 N GLN B 52 20.435 1.054 8.770 1.00 25.00 N ATOM 637 CA GLN B 52 20.010 1.628 10.056 1.00 25.00 C ATOM 638 C GLN B 52 19.213 0.588 10.863 1.00 25.00 C ATOM 639 O GLN B 52 19.002 0.719 12.058 1.00 25.00 O ATOM 640 CB GLN B 52 19.085 2.834 9.764 1.00 25.00 C ATOM 641 CG GLN B 52 19.692 3.898 8.812 1.00 25.00 C ATOM 642 CD GLN B 52 19.097 3.828 7.416 1.00 25.00 C ATOM 643 OE1 GLN B 52 19.039 2.758 6.796 1.00 25.00 O ATOM 644 NE2 GLN B 52 18.648 4.937 6.919 1.00 25.00 N ATOM 0 H GLN B 52 19.716 1.080 8.047 1.00 25.00 H new ATOM 0 HA GLN B 52 20.887 1.932 10.627 1.00 25.00 H new ATOM 0 HB2 GLN B 52 18.155 2.465 9.330 1.00 25.00 H new ATOM 0 HB3 GLN B 52 18.828 3.315 10.708 1.00 25.00 H new ATOM 0 HG2 GLN B 52 19.524 4.892 9.227 1.00 25.00 H new ATOM 0 HG3 GLN B 52 20.771 3.756 8.752 1.00 25.00 H new ATOM 0 HE21 GLN B 52 18.712 5.800 7.458 1.00 25.00 H new ATOM 0 HE22 GLN B 52 18.230 4.947 5.989 1.00 25.00 H new ATOM 653 N GLY B 53 18.769 -0.453 10.137 1.00 25.00 N ATOM 654 CA GLY B 53 17.871 -1.465 10.677 1.00 25.00 C ATOM 655 C GLY B 53 16.397 -1.034 10.635 1.00 25.00 C ATOM 656 O GLY B 53 16.094 0.167 10.731 1.00 25.00 O ATOM 0 H GLY B 53 19.027 -0.608 9.162 1.00 25.00 H new ATOM 0 HA2 GLY B 53 17.991 -2.390 10.112 1.00 25.00 H new ATOM 0 HA3 GLY B 53 18.153 -1.682 11.707 1.00 25.00 H new ATOM 660 N PHE B 54 15.489 -2.015 10.519 1.00 25.00 N ATOM 661 CA PHE B 54 14.062 -1.746 10.438 1.00 25.00 C ATOM 662 C PHE B 54 13.364 -2.056 11.760 1.00 25.00 C ATOM 663 O PHE B 54 12.418 -1.354 12.170 1.00 25.00 O ATOM 664 CB PHE B 54 13.472 -2.545 9.283 1.00 25.00 C ATOM 665 CG PHE B 54 14.042 -2.147 7.901 1.00 25.00 C ATOM 666 CD1 PHE B 54 13.460 -1.126 7.173 1.00 25.00 C ATOM 667 CD2 PHE B 54 15.170 -2.798 7.379 1.00 25.00 C ATOM 668 CE1 PHE B 54 14.029 -0.673 5.963 1.00 25.00 C ATOM 669 CE2 PHE B 54 15.737 -2.410 6.133 1.00 25.00 C ATOM 670 CZ PHE B 54 15.193 -1.318 5.446 1.00 25.00 C ATOM 0 H PHE B 54 15.729 -3.006 10.480 1.00 25.00 H new ATOM 0 HA PHE B 54 13.903 -0.685 10.248 1.00 25.00 H new ATOM 0 HB2 PHE B 54 13.659 -3.605 9.452 1.00 25.00 H new ATOM 0 HB3 PHE B 54 12.390 -2.410 9.273 1.00 25.00 H new ATOM 0 HD1 PHE B 54 12.553 -0.666 7.537 1.00 25.00 H new ATOM 0 HD2 PHE B 54 15.617 -3.610 7.934 1.00 25.00 H new ATOM 0 HE1 PHE B 54 13.586 0.157 5.432 1.00 25.00 H new ATOM 0 HE2 PHE B 54 16.577 -2.951 5.722 1.00 25.00 H new ATOM 0 HZ PHE B 54 15.650 -0.967 4.533 1.00 25.00 H new ATOM 680 N PHE B 55 13.794 -3.123 12.418 1.00 25.00 N ATOM 681 CA PHE B 55 13.224 -3.514 13.701 1.00 25.00 C ATOM 682 C PHE B 55 14.141 -4.553 14.266 1.00 25.00 C ATOM 683 O PHE B 55 14.895 -5.155 13.522 1.00 25.00 O ATOM 684 CB PHE B 55 11.839 -4.129 13.545 1.00 25.00 C ATOM 685 CG PHE B 55 10.967 -3.952 14.718 1.00 25.00 C ATOM 686 CD1 PHE B 55 10.302 -2.704 14.927 1.00 25.00 C ATOM 687 CD2 PHE B 55 10.781 -4.980 15.675 1.00 25.00 C ATOM 688 CE1 PHE B 55 9.497 -2.491 16.062 1.00 25.00 C ATOM 689 CE2 PHE B 55 9.969 -4.788 16.822 1.00 25.00 C ATOM 690 CZ PHE B 55 9.344 -3.524 17.010 1.00 25.00 C ATOM 0 H PHE B 55 14.538 -3.736 12.084 1.00 25.00 H new ATOM 0 HA PHE B 55 13.124 -2.637 14.341 1.00 25.00 H new ATOM 0 HB2 PHE B 55 11.353 -3.688 12.675 1.00 25.00 H new ATOM 0 HB3 PHE B 55 11.947 -5.195 13.344 1.00 25.00 H new ATOM 0 HD1 PHE B 55 10.419 -1.912 14.202 1.00 25.00 H new ATOM 0 HD2 PHE B 55 11.269 -5.932 15.528 1.00 25.00 H new ATOM 0 HE1 PHE B 55 9.000 -1.543 16.206 1.00 25.00 H new ATOM 0 HE2 PHE B 55 9.828 -5.585 17.538 1.00 25.00 H new ATOM 0 HZ PHE B 55 8.744 -3.353 17.891 1.00 25.00 H new ATOM 700 N TYR B 56 14.110 -4.766 15.572 1.00 25.00 N ATOM 701 CA TYR B 56 14.937 -5.778 16.233 1.00 25.00 C ATOM 702 C TYR B 56 14.171 -6.260 17.498 1.00 25.00 C ATOM 703 O TYR B 56 13.303 -5.536 18.005 1.00 25.00 O ATOM 704 CB TYR B 56 16.312 -5.209 16.599 1.00 25.00 C ATOM 705 CG TYR B 56 17.297 -6.251 17.147 1.00 25.00 C ATOM 706 CD1 TYR B 56 17.728 -7.338 16.324 1.00 25.00 C ATOM 707 CD2 TYR B 56 17.796 -6.154 18.456 1.00 25.00 C ATOM 708 CE1 TYR B 56 18.624 -8.327 16.800 1.00 25.00 C ATOM 709 CE2 TYR B 56 18.670 -7.194 18.943 1.00 25.00 C ATOM 710 CZ TYR B 56 19.085 -8.237 18.149 1.00 25.00 C ATOM 711 OH TYR B 56 19.884 -9.203 18.655 1.00 25.00 O ATOM 0 H TYR B 56 13.511 -4.243 16.210 1.00 25.00 H new ATOM 0 HA TYR B 56 15.116 -6.618 15.562 1.00 25.00 H new ATOM 0 HB2 TYR B 56 16.747 -4.743 15.715 1.00 25.00 H new ATOM 0 HB3 TYR B 56 16.181 -4.422 17.342 1.00 25.00 H new ATOM 0 HD1 TYR B 56 17.360 -7.407 15.311 1.00 25.00 H new ATOM 0 HD2 TYR B 56 17.531 -5.318 19.086 1.00 25.00 H new ATOM 0 HE1 TYR B 56 18.951 -9.131 16.157 1.00 25.00 H new ATOM 0 HE2 TYR B 56 19.010 -7.152 19.967 1.00 25.00 H new ATOM 0 HH TYR B 56 20.108 -8.989 19.585 1.00 25.00 H new ATOM 721 N THR B 57 14.529 -7.435 18.037 1.00 25.00 N ATOM 722 CA THR B 57 13.928 -7.947 19.279 1.00 25.00 C ATOM 723 C THR B 57 15.041 -8.091 20.352 1.00 25.00 C ATOM 724 O THR B 57 15.589 -9.165 20.577 1.00 25.00 O ATOM 725 CB THR B 57 13.143 -9.276 18.991 1.00 25.00 C ATOM 726 OG1 THR B 57 12.758 -9.845 20.255 1.00 25.00 O ATOM 727 CG2 THR B 57 14.008 -10.315 18.202 1.00 25.00 C ATOM 0 H THR B 57 15.234 -8.051 17.631 1.00 25.00 H new ATOM 0 HA THR B 57 13.190 -7.249 19.676 1.00 25.00 H new ATOM 0 HB THR B 57 12.276 -9.041 18.374 1.00 25.00 H new ATOM 0 HG1 THR B 57 12.264 -10.677 20.102 1.00 25.00 H new ATOM 0 HG21 THR B 57 13.422 -11.217 18.027 1.00 25.00 H new ATOM 0 HG22 THR B 57 14.309 -9.886 17.246 1.00 25.00 H new ATOM 0 HG23 THR B 57 14.895 -10.566 18.783 1.00 25.00 H new ATOM 735 N PRO B 58 15.428 -6.972 21.005 1.00 25.00 N ATOM 736 CA PRO B 58 16.425 -7.116 22.076 1.00 25.00 C ATOM 737 C PRO B 58 15.908 -7.815 23.320 1.00 25.00 C ATOM 738 O PRO B 58 14.712 -7.865 23.586 1.00 25.00 O ATOM 739 CB PRO B 58 16.757 -5.673 22.404 1.00 25.00 C ATOM 740 CG PRO B 58 15.513 -4.909 22.111 1.00 25.00 C ATOM 741 CD PRO B 58 14.988 -5.569 20.871 1.00 25.00 C ATOM 0 HA PRO B 58 17.264 -7.733 21.754 1.00 25.00 H new ATOM 0 HB2 PRO B 58 17.049 -5.564 23.448 1.00 25.00 H new ATOM 0 HB3 PRO B 58 17.591 -5.314 21.801 1.00 25.00 H new ATOM 0 HG2 PRO B 58 14.800 -4.971 22.933 1.00 25.00 H new ATOM 0 HG3 PRO B 58 15.719 -3.851 21.947 1.00 25.00 H new ATOM 0 HD2 PRO B 58 13.902 -5.495 20.807 1.00 25.00 H new ATOM 0 HD3 PRO B 58 15.392 -5.107 19.970 1.00 25.00 H new ATOM 749 N LYS B 59 16.852 -8.381 24.090 1.00 25.00 N ATOM 750 CA LYS B 59 16.517 -9.058 25.359 1.00 25.00 C ATOM 751 C LYS B 59 17.558 -8.843 26.451 1.00 25.00 C ATOM 752 O LYS B 59 17.272 -8.318 27.503 1.00 25.00 O ATOM 753 CB LYS B 59 16.345 -10.553 25.104 1.00 25.00 C ATOM 754 CG LYS B 59 15.738 -11.271 26.281 1.00 25.00 C ATOM 755 CD LYS B 59 15.310 -12.713 26.006 1.00 25.00 C ATOM 756 CE LYS B 59 14.037 -12.808 25.160 1.00 25.00 C ATOM 757 NZ LYS B 59 13.503 -14.222 25.108 1.00 25.00 N ATOM 0 H LYS B 59 17.846 -8.385 23.861 1.00 25.00 H new ATOM 0 HA LYS B 59 15.589 -8.615 25.720 1.00 25.00 H new ATOM 0 HB2 LYS B 59 15.713 -10.699 24.228 1.00 25.00 H new ATOM 0 HB3 LYS B 59 17.315 -10.993 24.874 1.00 25.00 H new ATOM 0 HG2 LYS B 59 16.459 -11.271 27.099 1.00 25.00 H new ATOM 0 HG3 LYS B 59 14.869 -10.708 26.622 1.00 25.00 H new ATOM 0 HD2 LYS B 59 16.119 -13.235 25.495 1.00 25.00 H new ATOM 0 HD3 LYS B 59 15.149 -13.225 26.954 1.00 25.00 H new ATOM 0 HE2 LYS B 59 13.275 -12.147 25.573 1.00 25.00 H new ATOM 0 HE3 LYS B 59 14.246 -12.461 24.148 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 12.641 -14.246 24.526 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 14.220 -14.849 24.691 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 13.280 -14.544 26.071 1.00 25.00 H new ATOM 771 N THR B 60 18.779 -9.346 26.168 1.00 25.00 N ATOM 772 CA THR B 60 19.863 -9.200 27.125 1.00 25.00 C ATOM 773 C THR B 60 20.411 -7.745 27.058 1.00 25.00 C ATOM 774 O THR B 60 20.638 -7.119 26.043 1.00 25.00 O ATOM 775 CB THR B 60 20.962 -10.227 26.774 1.00 25.00 C ATOM 776 OG1 THR B 60 21.293 -10.093 25.414 1.00 25.00 O ATOM 777 CG2 THR B 60 20.461 -11.693 26.955 1.00 25.00 C ATOM 778 OXT THR B 60 20.694 -7.274 28.223 1.00 25.00 O ATOM 0 H THR B 60 19.021 -9.840 25.309 1.00 25.00 H new ATOM 0 HA THR B 60 19.515 -9.386 28.141 1.00 25.00 H new ATOM 0 HB THR B 60 21.807 -10.037 27.435 1.00 25.00 H new ATOM 0 HG1 THR B 60 21.992 -10.740 25.182 1.00 25.00 H new ATOM 0 HG21 THR B 60 21.262 -12.386 26.698 1.00 25.00 H new ATOM 0 HG22 THR B 60 20.163 -11.850 27.992 1.00 25.00 H new ATOM 0 HG23 THR B 60 19.606 -11.869 26.302 1.00 25.00 H new TER 787 THR B 60