USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=12 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: B 34 GLN : amide:sc= 0.328 K(o=0.67,f=-0.21) USER MOD Set 1.2: B 40 HIS : no HE2:sc= 0.346 K(o=0.67,f=-2.2) USER MOD Set 2.1: A 5 GLN : amide:sc= -0.0322 X(o=-0.032,f=0.11) USER MOD Set 2.2: A 19 TYR OH : rot 151:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 165:sc= -0.224 (180deg=-0.515) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0863 USER MOD Single : A 9 SER OG : rot -51:sc= 0.266 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 15 GLN : amide:sc= -0.0809 K(o=-0.081,f=-2.3!) USER MOD Single : A 18 ASN : amide:sc=-0.00155 X(o=-0.0016,f=-0.097) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : B 33 ASN : amide:sc= 0.19 K(o=0.19,f=-1.6!) USER MOD Single : B 35 HIS : no HD1:sc= -0.0851 X(o=-0.085,f=-0.15) USER MOD Single : B 39 SER OG : rot 180:sc= 0.0471 USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0 K(o=0,f=-0.73) 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= 0.011 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.800 1.378 -1.857 1.00 25.00 N ATOM 2 CA GLY A 1 3.830 0.331 -2.269 1.00 25.00 C ATOM 3 C GLY A 1 4.462 -1.027 -2.369 1.00 25.00 C ATOM 4 O GLY A 1 3.963 -1.984 -2.915 1.00 25.00 O ATOM 0 H1 GLY A 1 4.397 2.318 -2.044 1.00 25.00 H new ATOM 0 H2 GLY A 1 5.002 1.284 -0.841 1.00 25.00 H new ATOM 0 H3 GLY A 1 5.682 1.266 -2.397 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.011 0.296 -1.551 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.397 0.599 -3.233 1.00 25.00 H new ATOM 9 N ILE A 2 5.646 -1.091 -1.748 1.00 25.00 N ATOM 10 CA ILE A 2 6.507 -2.280 -1.728 1.00 25.00 C ATOM 11 C ILE A 2 5.788 -3.529 -1.184 1.00 25.00 C ATOM 12 O ILE A 2 6.026 -4.645 -1.654 1.00 25.00 O ATOM 13 CB ILE A 2 7.825 -1.977 -0.918 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.888 -3.062 -1.219 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.537 -1.848 0.609 1.00 25.00 C ATOM 16 CD1 ILE A 2 10.241 -2.816 -0.548 1.00 25.00 C ATOM 0 H ILE A 2 6.040 -0.302 -1.235 1.00 25.00 H new ATOM 0 HA ILE A 2 6.770 -2.511 -2.760 1.00 25.00 H new ATOM 0 HB ILE A 2 8.222 -1.014 -1.240 1.00 25.00 H new ATOM 0 HG12 ILE A 2 8.505 -4.030 -0.895 1.00 25.00 H new ATOM 0 HG13 ILE A 2 9.035 -3.122 -2.297 1.00 25.00 H new ATOM 0 HG21 ILE A 2 8.467 -1.639 1.138 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.832 -1.034 0.779 1.00 25.00 H new ATOM 0 HG23 ILE A 2 7.111 -2.780 0.979 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.928 -3.621 -0.809 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.649 -1.865 -0.890 1.00 25.00 H new ATOM 0 HD13 ILE A 2 10.111 -2.787 0.534 1.00 25.00 H new ATOM 28 N VAL A 3 4.868 -3.345 -0.246 1.00 25.00 N ATOM 29 CA VAL A 3 4.128 -4.483 0.317 1.00 25.00 C ATOM 30 C VAL A 3 3.283 -5.152 -0.756 1.00 25.00 C ATOM 31 O VAL A 3 3.404 -6.347 -0.974 1.00 25.00 O ATOM 32 CB VAL A 3 3.247 -4.058 1.525 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.507 -5.275 2.135 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.115 -3.394 2.594 1.00 25.00 C ATOM 0 H VAL A 3 4.614 -2.436 0.141 1.00 25.00 H new ATOM 0 HA VAL A 3 4.860 -5.202 0.685 1.00 25.00 H new ATOM 0 HB VAL A 3 2.501 -3.349 1.166 1.00 25.00 H new ATOM 0 HG11 VAL A 3 1.899 -4.946 2.978 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.865 -5.727 1.379 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.236 -6.009 2.478 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.491 -3.099 3.438 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.875 -4.097 2.934 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.598 -2.512 2.174 1.00 25.00 H new ATOM 44 N GLU A 4 2.464 -4.378 -1.457 1.00 25.00 N ATOM 45 CA GLU A 4 1.600 -4.948 -2.493 1.00 25.00 C ATOM 46 C GLU A 4 2.415 -5.351 -3.723 1.00 25.00 C ATOM 47 O GLU A 4 2.045 -6.259 -4.452 1.00 25.00 O ATOM 48 CB GLU A 4 0.438 -3.998 -2.859 1.00 25.00 C ATOM 49 CG GLU A 4 0.822 -2.690 -3.538 1.00 25.00 C ATOM 50 CD GLU A 4 -0.348 -1.758 -3.697 1.00 25.00 C ATOM 51 OE1 GLU A 4 -1.339 -1.830 -3.036 1.00 25.00 O ATOM 52 OE2 GLU A 4 -0.153 -0.838 -4.585 1.00 25.00 O ATOM 0 H GLU A 4 2.377 -3.369 -1.333 1.00 25.00 H new ATOM 0 HA GLU A 4 1.148 -5.852 -2.086 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.249 -4.534 -3.514 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.110 -3.762 -1.947 1.00 25.00 H new ATOM 0 HG2 GLU A 4 1.599 -2.196 -2.955 1.00 25.00 H new ATOM 0 HG3 GLU A 4 1.247 -2.905 -4.518 1.00 25.00 H new ATOM 60 N GLN A 5 3.569 -4.718 -3.909 1.00 25.00 N ATOM 61 CA GLN A 5 4.474 -5.072 -5.006 1.00 25.00 C ATOM 62 C GLN A 5 5.057 -6.480 -4.802 1.00 25.00 C ATOM 63 O GLN A 5 5.213 -7.233 -5.755 1.00 25.00 O ATOM 64 CB GLN A 5 5.609 -4.051 -5.094 1.00 25.00 C ATOM 65 CG GLN A 5 6.553 -4.201 -6.286 1.00 25.00 C ATOM 66 CD GLN A 5 7.679 -3.180 -6.262 1.00 25.00 C ATOM 67 OE1 GLN A 5 7.680 -2.235 -7.037 1.00 25.00 O ATOM 68 NE2 GLN A 5 8.631 -3.366 -5.380 1.00 25.00 N ATOM 0 H GLN A 5 3.903 -3.957 -3.317 1.00 25.00 H new ATOM 0 HA GLN A 5 3.905 -5.065 -5.936 1.00 25.00 H new ATOM 0 HB2 GLN A 5 5.172 -3.053 -5.125 1.00 25.00 H new ATOM 0 HB3 GLN A 5 6.198 -4.112 -4.179 1.00 25.00 H new ATOM 0 HG2 GLN A 5 6.976 -5.205 -6.287 1.00 25.00 H new ATOM 0 HG3 GLN A 5 5.987 -4.093 -7.211 1.00 25.00 H new ATOM 0 HE21 GLN A 5 8.594 -4.168 -4.751 1.00 25.00 H new ATOM 0 HE22 GLN A 5 9.409 -2.709 -5.323 1.00 25.00 H new ATOM 77 N CYS A 6 5.400 -6.824 -3.571 1.00 25.00 N ATOM 78 CA CYS A 6 6.020 -8.126 -3.301 1.00 25.00 C ATOM 79 C CYS A 6 5.054 -9.231 -2.886 1.00 25.00 C ATOM 80 O CYS A 6 5.286 -10.415 -3.188 1.00 25.00 O ATOM 81 CB CYS A 6 7.088 -7.963 -2.240 1.00 25.00 C ATOM 82 SG CYS A 6 8.605 -8.892 -2.651 1.00 25.00 S ATOM 0 H CYS A 6 5.265 -6.235 -2.749 1.00 25.00 H new ATOM 0 HA CYS A 6 6.442 -8.452 -4.251 1.00 25.00 H new ATOM 0 HB2 CYS A 6 7.329 -6.906 -2.127 1.00 25.00 H new ATOM 0 HB3 CYS A 6 6.701 -8.306 -1.280 1.00 25.00 H new ATOM 87 N CYS A 7 3.949 -8.862 -2.251 1.00 25.00 N ATOM 88 CA CYS A 7 2.941 -9.815 -1.754 1.00 25.00 C ATOM 89 C CYS A 7 1.967 -10.259 -2.862 1.00 25.00 C ATOM 90 O CYS A 7 0.781 -10.435 -2.634 1.00 25.00 O ATOM 91 CB CYS A 7 2.151 -9.189 -0.587 1.00 25.00 C ATOM 92 SG CYS A 7 1.261 -10.391 0.470 1.00 25.00 S ATOM 0 H CYS A 7 3.717 -7.887 -2.060 1.00 25.00 H new ATOM 0 HA CYS A 7 3.474 -10.700 -1.407 1.00 25.00 H new ATOM 0 HB2 CYS A 7 2.841 -8.620 0.036 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.430 -8.480 -0.994 1.00 25.00 H new ATOM 97 N THR A 8 2.500 -10.427 -4.059 1.00 25.00 N ATOM 98 CA THR A 8 1.726 -10.900 -5.203 1.00 25.00 C ATOM 99 C THR A 8 2.431 -12.113 -5.792 1.00 25.00 C ATOM 100 O THR A 8 1.979 -13.236 -5.610 1.00 25.00 O ATOM 101 CB THR A 8 1.588 -9.791 -6.278 1.00 25.00 C ATOM 102 OG1 THR A 8 2.830 -9.086 -6.376 1.00 25.00 O ATOM 103 CG2 THR A 8 0.518 -8.790 -5.910 1.00 25.00 C ATOM 0 H THR A 8 3.480 -10.241 -4.270 1.00 25.00 H new ATOM 0 HA THR A 8 0.722 -11.169 -4.874 1.00 25.00 H new ATOM 0 HB THR A 8 1.319 -10.268 -7.220 1.00 25.00 H new ATOM 0 HG1 THR A 8 2.754 -8.383 -7.055 1.00 25.00 H new ATOM 0 HG21 THR A 8 0.450 -8.028 -6.686 1.00 25.00 H new ATOM 0 HG22 THR A 8 -0.441 -9.300 -5.817 1.00 25.00 H new ATOM 0 HG23 THR A 8 0.772 -8.319 -4.960 1.00 25.00 H new ATOM 111 N SER A 9 3.559 -11.900 -6.465 1.00 25.00 N ATOM 112 CA SER A 9 4.305 -13.010 -7.078 1.00 25.00 C ATOM 113 C SER A 9 5.830 -12.827 -6.984 1.00 25.00 C ATOM 114 O SER A 9 6.551 -13.142 -7.921 1.00 25.00 O ATOM 115 CB SER A 9 3.866 -13.177 -8.536 1.00 25.00 C ATOM 116 OG SER A 9 4.326 -14.416 -9.087 1.00 25.00 O ATOM 0 H SER A 9 3.978 -10.980 -6.602 1.00 25.00 H new ATOM 0 HA SER A 9 4.071 -13.915 -6.517 1.00 25.00 H new ATOM 0 HB2 SER A 9 2.779 -13.133 -8.596 1.00 25.00 H new ATOM 0 HB3 SER A 9 4.252 -12.349 -9.130 1.00 25.00 H new ATOM 0 HG SER A 9 5.288 -14.509 -8.924 1.00 25.00 H new ATOM 122 N ILE A 10 6.295 -12.353 -5.829 1.00 25.00 N ATOM 123 CA ILE A 10 7.727 -12.117 -5.521 1.00 25.00 C ATOM 124 C ILE A 10 8.315 -10.964 -6.342 1.00 25.00 C ATOM 125 O ILE A 10 8.596 -11.074 -7.531 1.00 25.00 O ATOM 126 CB ILE A 10 8.630 -13.399 -5.695 1.00 25.00 C ATOM 127 CG1 ILE A 10 7.999 -14.601 -4.961 1.00 25.00 C ATOM 128 CG2 ILE A 10 10.049 -13.136 -5.148 1.00 25.00 C ATOM 129 CD1 ILE A 10 8.938 -15.827 -4.797 1.00 25.00 C ATOM 0 H ILE A 10 5.679 -12.112 -5.053 1.00 25.00 H new ATOM 0 HA ILE A 10 7.738 -11.846 -4.465 1.00 25.00 H new ATOM 0 HB ILE A 10 8.700 -13.630 -6.758 1.00 25.00 H new ATOM 0 HG12 ILE A 10 7.673 -14.276 -3.973 1.00 25.00 H new ATOM 0 HG13 ILE A 10 7.107 -14.914 -5.504 1.00 25.00 H new ATOM 0 HG21 ILE A 10 10.660 -14.030 -5.275 1.00 25.00 H new ATOM 0 HG22 ILE A 10 10.501 -12.307 -5.693 1.00 25.00 H new ATOM 0 HG23 ILE A 10 9.990 -12.885 -4.089 1.00 25.00 H new ATOM 0 HD11 ILE A 10 8.410 -16.622 -4.271 1.00 25.00 H new ATOM 0 HD12 ILE A 10 9.245 -16.184 -5.780 1.00 25.00 H new ATOM 0 HD13 ILE A 10 9.819 -15.536 -4.225 1.00 25.00 H new ATOM 141 N CYS A 11 8.554 -9.853 -5.661 1.00 25.00 N ATOM 142 CA CYS A 11 9.184 -8.693 -6.274 1.00 25.00 C ATOM 143 C CYS A 11 10.667 -8.978 -6.520 1.00 25.00 C ATOM 144 O CYS A 11 11.296 -9.693 -5.739 1.00 25.00 O ATOM 145 CB CYS A 11 9.010 -7.453 -5.382 1.00 25.00 C ATOM 146 SG CYS A 11 9.746 -7.566 -3.709 1.00 25.00 S ATOM 0 H CYS A 11 8.319 -9.730 -4.676 1.00 25.00 H new ATOM 0 HA CYS A 11 8.702 -8.492 -7.231 1.00 25.00 H new ATOM 0 HB2 CYS A 11 9.448 -6.596 -5.894 1.00 25.00 H new ATOM 0 HB3 CYS A 11 7.944 -7.251 -5.277 1.00 25.00 H new ATOM 151 N SER A 12 11.198 -8.462 -7.620 1.00 25.00 N ATOM 152 CA SER A 12 12.585 -8.729 -8.007 1.00 25.00 C ATOM 153 C SER A 12 13.601 -8.041 -7.116 1.00 25.00 C ATOM 154 O SER A 12 13.370 -6.938 -6.636 1.00 25.00 O ATOM 155 CB SER A 12 12.812 -8.284 -9.457 1.00 25.00 C ATOM 156 OG SER A 12 12.652 -6.875 -9.599 1.00 25.00 O ATOM 0 H SER A 12 10.692 -7.854 -8.264 1.00 25.00 H new ATOM 0 HA SER A 12 12.735 -9.803 -7.898 1.00 25.00 H new ATOM 0 HB2 SER A 12 13.814 -8.572 -9.775 1.00 25.00 H new ATOM 0 HB3 SER A 12 12.109 -8.799 -10.112 1.00 25.00 H new ATOM 0 HG SER A 12 12.804 -6.621 -10.533 1.00 25.00 H new ATOM 162 N LEU A 13 14.763 -8.673 -6.965 1.00 25.00 N ATOM 163 CA LEU A 13 15.857 -8.108 -6.172 1.00 25.00 C ATOM 164 C LEU A 13 16.298 -6.768 -6.737 1.00 25.00 C ATOM 165 O LEU A 13 16.618 -5.857 -5.991 1.00 25.00 O ATOM 166 CB LEU A 13 17.045 -9.080 -6.159 1.00 25.00 C ATOM 167 CG LEU A 13 18.295 -8.649 -5.363 1.00 25.00 C ATOM 168 CD1 LEU A 13 17.981 -8.438 -3.879 1.00 25.00 C ATOM 169 CD2 LEU A 13 19.398 -9.700 -5.530 1.00 25.00 C ATOM 0 H LEU A 13 14.973 -9.580 -7.382 1.00 25.00 H new ATOM 0 HA LEU A 13 15.500 -7.954 -5.154 1.00 25.00 H new ATOM 0 HB2 LEU A 13 16.699 -10.032 -5.757 1.00 25.00 H new ATOM 0 HB3 LEU A 13 17.346 -9.260 -7.191 1.00 25.00 H new ATOM 0 HG LEU A 13 18.636 -7.693 -5.761 1.00 25.00 H new ATOM 0 HD11 LEU A 13 18.887 -8.136 -3.355 1.00 25.00 H new ATOM 0 HD12 LEU A 13 17.225 -7.660 -3.774 1.00 25.00 H new ATOM 0 HD13 LEU A 13 17.607 -9.368 -3.450 1.00 25.00 H new ATOM 0 HD21 LEU A 13 20.280 -9.394 -4.967 1.00 25.00 H new ATOM 0 HD22 LEU A 13 19.044 -10.661 -5.156 1.00 25.00 H new ATOM 0 HD23 LEU A 13 19.655 -9.793 -6.585 1.00 25.00 H new ATOM 181 N TYR A 14 16.265 -6.649 -8.054 1.00 25.00 N ATOM 182 CA TYR A 14 16.675 -5.426 -8.742 1.00 25.00 C ATOM 183 C TYR A 14 15.875 -4.220 -8.252 1.00 25.00 C ATOM 184 O TYR A 14 16.442 -3.173 -7.975 1.00 25.00 O ATOM 185 CB TYR A 14 16.491 -5.617 -10.252 1.00 25.00 C ATOM 186 CG TYR A 14 17.145 -4.535 -11.089 1.00 25.00 C ATOM 187 CD1 TYR A 14 18.499 -4.636 -11.461 1.00 25.00 C ATOM 188 CD2 TYR A 14 16.414 -3.411 -11.515 1.00 25.00 C ATOM 189 CE1 TYR A 14 19.115 -3.632 -12.262 1.00 25.00 C ATOM 190 CE2 TYR A 14 17.030 -2.401 -12.310 1.00 25.00 C ATOM 191 CZ TYR A 14 18.372 -2.527 -12.679 1.00 25.00 C ATOM 192 OH TYR A 14 18.961 -1.564 -13.453 1.00 25.00 O ATOM 0 H TYR A 14 15.955 -7.393 -8.679 1.00 25.00 H new ATOM 0 HA TYR A 14 17.725 -5.231 -8.522 1.00 25.00 H new ATOM 0 HB2 TYR A 14 16.903 -6.584 -10.539 1.00 25.00 H new ATOM 0 HB3 TYR A 14 15.425 -5.644 -10.478 1.00 25.00 H new ATOM 0 HD1 TYR A 14 19.079 -5.487 -11.134 1.00 25.00 H new ATOM 0 HD2 TYR A 14 15.375 -3.312 -11.237 1.00 25.00 H new ATOM 0 HE1 TYR A 14 20.153 -3.726 -12.545 1.00 25.00 H new ATOM 0 HE2 TYR A 14 16.461 -1.540 -12.627 1.00 25.00 H new ATOM 0 HH TYR A 14 18.307 -0.864 -13.658 1.00 25.00 H new ATOM 202 N GLN A 15 14.568 -4.392 -8.101 1.00 25.00 N ATOM 203 CA GLN A 15 13.722 -3.305 -7.611 1.00 25.00 C ATOM 204 C GLN A 15 13.855 -3.177 -6.097 1.00 25.00 C ATOM 205 O GLN A 15 13.885 -2.080 -5.560 1.00 25.00 O ATOM 206 CB GLN A 15 12.255 -3.561 -7.991 1.00 25.00 C ATOM 207 CG GLN A 15 11.347 -2.327 -7.896 1.00 25.00 C ATOM 208 CD GLN A 15 11.480 -1.406 -9.104 1.00 25.00 C ATOM 209 OE1 GLN A 15 12.549 -0.947 -9.444 1.00 25.00 O ATOM 210 NE2 GLN A 15 10.373 -1.132 -9.739 1.00 25.00 N ATOM 0 H GLN A 15 14.073 -5.260 -8.307 1.00 25.00 H new ATOM 0 HA GLN A 15 14.048 -2.373 -8.074 1.00 25.00 H new ATOM 0 HB2 GLN A 15 12.219 -3.945 -9.010 1.00 25.00 H new ATOM 0 HB3 GLN A 15 11.856 -4.341 -7.342 1.00 25.00 H new ATOM 0 HG2 GLN A 15 10.310 -2.650 -7.803 1.00 25.00 H new ATOM 0 HG3 GLN A 15 11.590 -1.770 -6.991 1.00 25.00 H new ATOM 0 HE21 GLN A 15 9.491 -1.537 -9.424 1.00 25.00 H new ATOM 0 HE22 GLN A 15 10.390 -0.513 -10.550 1.00 25.00 H new ATOM 219 N LEU A 16 13.961 -4.304 -5.416 1.00 25.00 N ATOM 220 CA LEU A 16 14.066 -4.313 -3.960 1.00 25.00 C ATOM 221 C LEU A 16 15.303 -3.522 -3.477 1.00 25.00 C ATOM 222 O LEU A 16 15.226 -2.757 -2.521 1.00 25.00 O ATOM 223 CB LEU A 16 14.122 -5.759 -3.466 1.00 25.00 C ATOM 224 CG LEU A 16 14.024 -5.936 -1.946 1.00 25.00 C ATOM 225 CD1 LEU A 16 13.001 -7.012 -1.587 1.00 25.00 C ATOM 226 CD2 LEU A 16 15.383 -6.310 -1.342 1.00 25.00 C ATOM 0 H LEU A 16 13.977 -5.229 -5.845 1.00 25.00 H new ATOM 0 HA LEU A 16 13.187 -3.821 -3.544 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.311 -6.317 -3.933 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.055 -6.207 -3.808 1.00 25.00 H new ATOM 0 HG LEU A 16 13.702 -4.981 -1.531 1.00 25.00 H new ATOM 0 HD11 LEU A 16 12.950 -7.119 -0.503 1.00 25.00 H new ATOM 0 HD12 LEU A 16 12.022 -6.725 -1.970 1.00 25.00 H new ATOM 0 HD13 LEU A 16 13.300 -7.961 -2.031 1.00 25.00 H new ATOM 0 HD21 LEU A 16 15.281 -6.429 -0.263 1.00 25.00 H new ATOM 0 HD22 LEU A 16 15.730 -7.246 -1.779 1.00 25.00 H new ATOM 0 HD23 LEU A 16 16.105 -5.521 -1.554 1.00 25.00 H new ATOM 238 N GLU A 17 16.408 -3.655 -4.191 1.00 25.00 N ATOM 239 CA GLU A 17 17.639 -2.947 -3.857 1.00 25.00 C ATOM 240 C GLU A 17 17.488 -1.441 -4.009 1.00 25.00 C ATOM 241 O GLU A 17 18.211 -0.675 -3.376 1.00 25.00 O ATOM 242 CB GLU A 17 18.766 -3.416 -4.768 1.00 25.00 C ATOM 243 CG GLU A 17 19.300 -4.791 -4.430 1.00 25.00 C ATOM 244 CD GLU A 17 20.238 -5.321 -5.485 1.00 25.00 C ATOM 245 OE1 GLU A 17 19.998 -5.303 -6.654 1.00 25.00 O ATOM 246 OE2 GLU A 17 21.304 -5.855 -5.006 1.00 25.00 O ATOM 0 H GLU A 17 16.481 -4.252 -5.015 1.00 25.00 H new ATOM 0 HA GLU A 17 17.868 -3.168 -2.814 1.00 25.00 H new ATOM 0 HB2 GLU A 17 18.409 -3.419 -5.798 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.584 -2.697 -4.716 1.00 25.00 H new ATOM 0 HG2 GLU A 17 19.820 -4.750 -3.473 1.00 25.00 H new ATOM 0 HG3 GLU A 17 18.466 -5.482 -4.310 1.00 25.00 H new ATOM 254 N ASN A 18 16.509 -0.990 -4.785 1.00 25.00 N ATOM 255 CA ASN A 18 16.300 0.443 -4.962 1.00 25.00 C ATOM 256 C ASN A 18 15.772 1.071 -3.672 1.00 25.00 C ATOM 257 O ASN A 18 15.888 2.280 -3.485 1.00 25.00 O ATOM 258 CB ASN A 18 15.295 0.710 -6.095 1.00 25.00 C ATOM 259 CG ASN A 18 15.261 2.171 -6.498 1.00 25.00 C ATOM 260 OD1 ASN A 18 16.284 2.775 -6.787 1.00 25.00 O ATOM 261 ND2 ASN A 18 14.077 2.739 -6.540 1.00 25.00 N ATOM 0 H ASN A 18 15.856 -1.585 -5.295 1.00 25.00 H new ATOM 0 HA ASN A 18 17.261 0.890 -5.218 1.00 25.00 H new ATOM 0 HB2 ASN A 18 15.557 0.102 -6.961 1.00 25.00 H new ATOM 0 HB3 ASN A 18 14.300 0.400 -5.776 1.00 25.00 H new ATOM 0 HD21 ASN A 18 13.990 3.716 -6.821 1.00 25.00 H new ATOM 0 HD22 ASN A 18 13.245 2.203 -6.292 1.00 25.00 H new ATOM 268 N TYR A 19 15.233 0.255 -2.776 1.00 25.00 N ATOM 269 CA TYR A 19 14.740 0.756 -1.493 1.00 25.00 C ATOM 270 C TYR A 19 15.853 0.817 -0.443 1.00 25.00 C ATOM 271 O TYR A 19 15.610 1.239 0.696 1.00 25.00 O ATOM 272 CB TYR A 19 13.609 -0.145 -0.991 1.00 25.00 C ATOM 273 CG TYR A 19 12.395 -0.161 -1.901 1.00 25.00 C ATOM 274 CD1 TYR A 19 11.377 0.798 -1.767 1.00 25.00 C ATOM 275 CD2 TYR A 19 12.238 -1.169 -2.878 1.00 25.00 C ATOM 276 CE1 TYR A 19 10.230 0.761 -2.591 1.00 25.00 C ATOM 277 CE2 TYR A 19 11.085 -1.208 -3.704 1.00 25.00 C ATOM 278 CZ TYR A 19 10.093 -0.241 -3.557 1.00 25.00 C ATOM 279 OH TYR A 19 8.981 -0.294 -4.359 1.00 25.00 O ATOM 0 H TYR A 19 15.125 -0.750 -2.909 1.00 25.00 H new ATOM 0 HA TYR A 19 14.370 1.770 -1.648 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.986 -1.162 -0.885 1.00 25.00 H new ATOM 0 HB3 TYR A 19 13.304 0.187 0.001 1.00 25.00 H new ATOM 0 HD1 TYR A 19 11.473 1.575 -1.023 1.00 25.00 H new ATOM 0 HD2 TYR A 19 13.005 -1.920 -2.998 1.00 25.00 H new ATOM 0 HE1 TYR A 19 9.458 1.507 -2.475 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.977 -1.986 -4.445 1.00 25.00 H new ATOM 0 HH TYR A 19 9.219 -0.694 -5.222 1.00 25.00 H new ATOM 289 N CYS A 20 17.074 0.460 -0.820 1.00 25.00 N ATOM 290 CA CYS A 20 18.202 0.572 0.118 1.00 25.00 C ATOM 291 C CYS A 20 18.544 2.044 0.347 1.00 25.00 C ATOM 292 O CYS A 20 19.330 2.400 1.224 1.00 25.00 O ATOM 293 CB CYS A 20 19.455 -0.139 -0.410 1.00 25.00 C ATOM 294 SG CYS A 20 19.371 -1.955 -0.644 1.00 25.00 S ATOM 0 H CYS A 20 17.314 0.098 -1.743 1.00 25.00 H new ATOM 0 HA CYS A 20 17.895 0.097 1.050 1.00 25.00 H new ATOM 0 HB2 CYS A 20 19.717 0.311 -1.368 1.00 25.00 H new ATOM 0 HB3 CYS A 20 20.275 0.073 0.276 1.00 25.00 H new ATOM 299 N ASN A 21 17.971 2.916 -0.480 1.00 25.00 N ATOM 300 CA ASN A 21 18.184 4.372 -0.413 1.00 25.00 C ATOM 301 C ASN A 21 17.667 5.041 0.871 1.00 25.00 C ATOM 302 O ASN A 21 18.022 6.154 1.233 1.00 25.00 O ATOM 303 CB ASN A 21 17.571 5.060 -1.656 1.00 25.00 C ATOM 304 CG ASN A 21 16.074 5.168 -1.529 1.00 25.00 C ATOM 305 OD1 ASN A 21 15.358 4.285 -1.114 1.00 25.00 O ATOM 306 ND2 ASN A 21 15.560 6.338 -1.885 1.00 25.00 N ATOM 307 OXT ASN A 21 16.770 4.358 1.524 1.00 25.00 O ATOM 0 H ASN A 21 17.337 2.634 -1.227 1.00 25.00 H new ATOM 0 HA ASN A 21 19.266 4.506 -0.396 1.00 25.00 H new ATOM 0 HB2 ASN A 21 18.002 6.054 -1.776 1.00 25.00 H new ATOM 0 HB3 ASN A 21 17.824 4.493 -2.552 1.00 25.00 H new ATOM 0 HD21 ASN A 21 14.555 6.498 -1.810 1.00 25.00 H new ATOM 0 HD22 ASN A 21 16.169 7.078 -2.234 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 16.141 -13.661 -8.291 1.00 25.00 N ATOM 317 CA PHE B 31 16.239 -14.179 -6.899 1.00 25.00 C ATOM 318 C PHE B 31 14.936 -14.755 -6.348 1.00 25.00 C ATOM 319 O PHE B 31 13.844 -14.327 -6.634 1.00 25.00 O ATOM 320 CB PHE B 31 16.744 -13.014 -6.029 1.00 25.00 C ATOM 321 CG PHE B 31 17.135 -13.292 -4.579 1.00 25.00 C ATOM 322 CD1 PHE B 31 17.664 -14.525 -4.164 1.00 25.00 C ATOM 323 CD2 PHE B 31 16.990 -12.263 -3.643 1.00 25.00 C ATOM 324 CE1 PHE B 31 18.010 -14.721 -2.829 1.00 25.00 C ATOM 325 CE2 PHE B 31 17.351 -12.460 -2.311 1.00 25.00 C ATOM 326 CZ PHE B 31 17.850 -13.691 -1.903 1.00 25.00 C ATOM 0 HA PHE B 31 16.926 -15.025 -6.888 1.00 25.00 H new ATOM 0 HB2 PHE B 31 17.612 -12.582 -6.528 1.00 25.00 H new ATOM 0 HB3 PHE B 31 15.968 -12.249 -6.020 1.00 25.00 H new ATOM 0 HD1 PHE B 31 17.803 -15.321 -4.880 1.00 25.00 H new ATOM 0 HD2 PHE B 31 16.595 -11.307 -3.955 1.00 25.00 H new ATOM 0 HE1 PHE B 31 18.404 -15.675 -2.510 1.00 25.00 H new ATOM 0 HE2 PHE B 31 17.243 -11.657 -1.597 1.00 25.00 H new ATOM 0 HZ PHE B 31 18.114 -13.850 -0.868 1.00 25.00 H new ATOM 337 N VAL B 32 15.070 -15.816 -5.550 1.00 25.00 N ATOM 338 CA VAL B 32 13.937 -16.550 -4.993 1.00 25.00 C ATOM 339 C VAL B 32 13.674 -16.084 -3.569 1.00 25.00 C ATOM 340 O VAL B 32 13.652 -16.855 -2.601 1.00 25.00 O ATOM 341 CB VAL B 32 14.182 -18.087 -5.057 1.00 25.00 C ATOM 342 CG1 VAL B 32 14.072 -18.568 -6.509 1.00 25.00 C ATOM 343 CG2 VAL B 32 15.578 -18.492 -4.486 1.00 25.00 C ATOM 0 H VAL B 32 15.976 -16.191 -5.271 1.00 25.00 H new ATOM 0 HA VAL B 32 13.050 -16.343 -5.592 1.00 25.00 H new ATOM 0 HB VAL B 32 13.420 -18.561 -4.438 1.00 25.00 H new ATOM 0 HG11 VAL B 32 14.244 -19.644 -6.550 1.00 25.00 H new ATOM 0 HG12 VAL B 32 13.076 -18.345 -6.892 1.00 25.00 H new ATOM 0 HG13 VAL B 32 14.818 -18.058 -7.119 1.00 25.00 H new ATOM 0 HG21 VAL B 32 15.699 -19.573 -4.554 1.00 25.00 H new ATOM 0 HG22 VAL B 32 16.363 -18.002 -5.062 1.00 25.00 H new ATOM 0 HG23 VAL B 32 15.648 -18.184 -3.443 1.00 25.00 H new ATOM 353 N ASN B 33 13.491 -14.784 -3.450 1.00 25.00 N ATOM 354 CA ASN B 33 13.334 -14.120 -2.159 1.00 25.00 C ATOM 355 C ASN B 33 11.979 -14.264 -1.444 1.00 25.00 C ATOM 356 O ASN B 33 11.575 -13.369 -0.724 1.00 25.00 O ATOM 357 CB ASN B 33 13.671 -12.639 -2.335 1.00 25.00 C ATOM 358 CG ASN B 33 12.862 -11.960 -3.402 1.00 25.00 C ATOM 359 OD1 ASN B 33 13.175 -12.084 -4.563 1.00 25.00 O ATOM 360 ND2 ASN B 33 11.876 -11.195 -3.011 1.00 25.00 N ATOM 0 H ASN B 33 13.446 -14.150 -4.247 1.00 25.00 H new ATOM 0 HA ASN B 33 14.021 -14.643 -1.494 1.00 25.00 H new ATOM 0 HB2 ASN B 33 13.512 -12.124 -1.388 1.00 25.00 H new ATOM 0 HB3 ASN B 33 14.729 -12.542 -2.577 1.00 25.00 H new ATOM 0 HD21 ASN B 33 11.334 -10.671 -3.698 1.00 25.00 H new ATOM 0 HD22 ASN B 33 11.649 -11.122 -2.019 1.00 25.00 H new ATOM 367 N GLN B 34 11.353 -15.427 -1.583 1.00 25.00 N ATOM 368 CA GLN B 34 10.081 -15.780 -0.905 1.00 25.00 C ATOM 369 C GLN B 34 8.882 -14.871 -1.236 1.00 25.00 C ATOM 370 O GLN B 34 9.008 -13.820 -1.841 1.00 25.00 O ATOM 371 CB GLN B 34 10.255 -15.789 0.636 1.00 25.00 C ATOM 372 CG GLN B 34 11.463 -16.556 1.154 1.00 25.00 C ATOM 373 CD GLN B 34 11.568 -16.526 2.672 1.00 25.00 C ATOM 374 OE1 GLN B 34 10.734 -15.942 3.372 1.00 25.00 O ATOM 375 NE2 GLN B 34 12.609 -17.141 3.186 1.00 25.00 N ATOM 0 H GLN B 34 11.710 -16.175 -2.178 1.00 25.00 H new ATOM 0 HA GLN B 34 9.850 -16.772 -1.293 1.00 25.00 H new ATOM 0 HB2 GLN B 34 10.325 -14.758 0.982 1.00 25.00 H new ATOM 0 HB3 GLN B 34 9.357 -16.215 1.083 1.00 25.00 H new ATOM 0 HG2 GLN B 34 11.403 -17.591 0.818 1.00 25.00 H new ATOM 0 HG3 GLN B 34 12.370 -16.133 0.722 1.00 25.00 H new ATOM 0 HE21 GLN B 34 13.276 -17.612 2.575 1.00 25.00 H new ATOM 0 HE22 GLN B 34 12.750 -17.147 4.196 1.00 25.00 H new ATOM 384 N HIS B 35 7.705 -15.290 -0.783 1.00 25.00 N ATOM 385 CA HIS B 35 6.501 -14.461 -0.917 1.00 25.00 C ATOM 386 C HIS B 35 6.465 -13.539 0.300 1.00 25.00 C ATOM 387 O HIS B 35 6.000 -13.926 1.362 1.00 25.00 O ATOM 388 CB HIS B 35 5.245 -15.339 -1.016 1.00 25.00 C ATOM 389 CG HIS B 35 5.213 -16.188 -2.250 1.00 25.00 C ATOM 390 ND1 HIS B 35 5.209 -15.660 -3.542 1.00 25.00 N ATOM 391 CD2 HIS B 35 5.202 -17.538 -2.434 1.00 25.00 C ATOM 392 CE1 HIS B 35 5.238 -16.655 -4.419 1.00 25.00 C ATOM 393 NE2 HIS B 35 5.205 -17.793 -3.773 1.00 25.00 N ATOM 0 H HIS B 35 7.554 -16.188 -0.324 1.00 25.00 H new ATOM 0 HA HIS B 35 6.525 -13.869 -1.832 1.00 25.00 H new ATOM 0 HB2 HIS B 35 5.190 -15.983 -0.138 1.00 25.00 H new ATOM 0 HB3 HIS B 35 4.361 -14.701 -0.999 1.00 25.00 H new ATOM 0 HD2 HIS B 35 5.192 -18.281 -1.650 1.00 25.00 H new ATOM 0 HE1 HIS B 35 5.282 -16.544 -5.492 1.00 25.00 H new ATOM 0 HE2 HIS B 35 5.185 -18.719 -4.201 1.00 25.00 H new ATOM 402 N LEU B 36 7.045 -12.366 0.138 1.00 25.00 N ATOM 403 CA LEU B 36 7.198 -11.426 1.234 1.00 25.00 C ATOM 404 C LEU B 36 5.971 -10.539 1.360 1.00 25.00 C ATOM 405 O LEU B 36 5.503 -9.988 0.374 1.00 25.00 O ATOM 406 CB LEU B 36 8.412 -10.542 0.968 1.00 25.00 C ATOM 407 CG LEU B 36 9.760 -11.255 0.808 1.00 25.00 C ATOM 408 CD1 LEU B 36 10.833 -10.240 0.437 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.162 -12.015 2.081 1.00 25.00 C ATOM 0 H LEU B 36 7.422 -12.038 -0.751 1.00 25.00 H new ATOM 0 HA LEU B 36 7.326 -11.990 2.158 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.222 -9.966 0.062 1.00 25.00 H new ATOM 0 HB3 LEU B 36 8.499 -9.828 1.787 1.00 25.00 H new ATOM 0 HG LEU B 36 9.659 -11.991 0.011 1.00 25.00 H new ATOM 0 HD11 LEU B 36 11.791 -10.748 0.324 1.00 25.00 H new ATOM 0 HD12 LEU B 36 10.566 -9.755 -0.502 1.00 25.00 H new ATOM 0 HD13 LEU B 36 10.911 -9.489 1.224 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.123 -12.505 1.924 1.00 25.00 H new ATOM 0 HD22 LEU B 36 10.244 -11.315 2.912 1.00 25.00 H new ATOM 0 HD23 LEU B 36 9.405 -12.765 2.311 1.00 25.00 H new ATOM 421 N CYS B 37 5.463 -10.406 2.581 1.00 25.00 N ATOM 422 CA CYS B 37 4.279 -9.579 2.840 1.00 25.00 C ATOM 423 C CYS B 37 4.443 -8.797 4.154 1.00 25.00 C ATOM 424 O CYS B 37 4.679 -7.606 4.143 1.00 25.00 O ATOM 425 CB CYS B 37 3.030 -10.458 2.921 1.00 25.00 C ATOM 426 SG CYS B 37 2.719 -11.450 1.426 1.00 25.00 S ATOM 0 H CYS B 37 5.849 -10.858 3.410 1.00 25.00 H new ATOM 0 HA CYS B 37 4.170 -8.871 2.018 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.126 -11.128 3.775 1.00 25.00 H new ATOM 0 HB3 CYS B 37 2.164 -9.823 3.109 1.00 25.00 H new ATOM 431 N GLY B 38 4.372 -9.509 5.281 1.00 25.00 N ATOM 432 CA GLY B 38 4.509 -8.879 6.597 1.00 25.00 C ATOM 433 C GLY B 38 5.951 -8.632 6.997 1.00 25.00 C ATOM 434 O GLY B 38 6.797 -8.380 6.148 1.00 25.00 O ATOM 0 H GLY B 38 4.221 -10.517 5.310 1.00 25.00 H new ATOM 0 HA2 GLY B 38 3.972 -7.930 6.596 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.035 -9.513 7.347 1.00 25.00 H new ATOM 438 N SER B 39 6.276 -8.783 8.276 1.00 25.00 N ATOM 439 CA SER B 39 7.641 -8.540 8.782 1.00 25.00 C ATOM 440 C SER B 39 8.756 -9.336 8.108 1.00 25.00 C ATOM 441 O SER B 39 9.905 -8.926 8.136 1.00 25.00 O ATOM 442 CB SER B 39 7.677 -8.819 10.274 1.00 25.00 C ATOM 443 OG SER B 39 6.479 -8.371 10.872 1.00 25.00 O ATOM 0 H SER B 39 5.613 -9.075 8.994 1.00 25.00 H new ATOM 0 HA SER B 39 7.846 -7.496 8.544 1.00 25.00 H new ATOM 0 HB2 SER B 39 7.806 -9.887 10.451 1.00 25.00 H new ATOM 0 HB3 SER B 39 8.531 -8.316 10.727 1.00 25.00 H new ATOM 0 HG SER B 39 6.505 -8.554 11.834 1.00 25.00 H new ATOM 449 N HIS B 40 8.422 -10.426 7.423 1.00 25.00 N ATOM 450 CA HIS B 40 9.412 -11.162 6.615 1.00 25.00 C ATOM 451 C HIS B 40 9.958 -10.267 5.500 1.00 25.00 C ATOM 452 O HIS B 40 11.112 -10.409 5.115 1.00 25.00 O ATOM 453 CB HIS B 40 8.789 -12.431 5.988 1.00 25.00 C ATOM 454 CG HIS B 40 9.231 -13.711 6.637 1.00 25.00 C ATOM 455 ND1 HIS B 40 9.875 -14.759 5.954 1.00 25.00 N ATOM 456 CD2 HIS B 40 9.138 -14.150 7.924 1.00 25.00 C ATOM 457 CE1 HIS B 40 10.132 -15.740 6.819 1.00 25.00 C ATOM 458 NE2 HIS B 40 9.706 -15.388 8.006 1.00 25.00 N ATOM 0 H HIS B 40 7.483 -10.823 7.406 1.00 25.00 H new ATOM 0 HA HIS B 40 10.224 -11.460 7.278 1.00 25.00 H new ATOM 0 HB2 HIS B 40 7.703 -12.360 6.051 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.046 -12.465 4.929 1.00 25.00 H new ATOM 0 HD1 HIS B 40 10.107 -14.767 4.961 1.00 25.00 H new ATOM 0 HD2 HIS B 40 8.689 -13.608 8.743 1.00 25.00 H new ATOM 0 HE1 HIS B 40 10.615 -16.676 6.579 1.00 25.00 H new ATOM 467 N LEU B 41 9.142 -9.343 5.005 1.00 25.00 N ATOM 468 CA LEU B 41 9.559 -8.427 3.942 1.00 25.00 C ATOM 469 C LEU B 41 10.628 -7.499 4.485 1.00 25.00 C ATOM 470 O LEU B 41 11.656 -7.312 3.871 1.00 25.00 O ATOM 471 CB LEU B 41 8.351 -7.624 3.418 1.00 25.00 C ATOM 472 CG LEU B 41 8.548 -6.800 2.131 1.00 25.00 C ATOM 473 CD1 LEU B 41 7.185 -6.641 1.460 1.00 25.00 C ATOM 474 CD2 LEU B 41 9.133 -5.412 2.409 1.00 25.00 C ATOM 0 H LEU B 41 8.183 -9.206 5.323 1.00 25.00 H new ATOM 0 HA LEU B 41 9.966 -8.996 3.106 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.531 -8.322 3.248 1.00 25.00 H new ATOM 0 HB3 LEU B 41 8.032 -6.944 4.207 1.00 25.00 H new ATOM 0 HG LEU B 41 9.255 -7.327 1.491 1.00 25.00 H new ATOM 0 HD11 LEU B 41 7.296 -6.060 0.544 1.00 25.00 H new ATOM 0 HD12 LEU B 41 6.781 -7.624 1.219 1.00 25.00 H new ATOM 0 HD13 LEU B 41 6.504 -6.125 2.137 1.00 25.00 H new ATOM 0 HD21 LEU B 41 9.252 -4.872 1.469 1.00 25.00 H new ATOM 0 HD22 LEU B 41 8.460 -4.858 3.063 1.00 25.00 H new ATOM 0 HD23 LEU B 41 10.104 -5.517 2.893 1.00 25.00 H new ATOM 486 N VAL B 42 10.382 -6.969 5.673 1.00 25.00 N ATOM 487 CA VAL B 42 11.333 -6.072 6.324 1.00 25.00 C ATOM 488 C VAL B 42 12.611 -6.842 6.659 1.00 25.00 C ATOM 489 O VAL B 42 13.703 -6.317 6.503 1.00 25.00 O ATOM 490 CB VAL B 42 10.731 -5.442 7.623 1.00 25.00 C ATOM 491 CG1 VAL B 42 11.739 -4.464 8.274 1.00 25.00 C ATOM 492 CG2 VAL B 42 9.416 -4.707 7.280 1.00 25.00 C ATOM 0 H VAL B 42 9.532 -7.143 6.209 1.00 25.00 H new ATOM 0 HA VAL B 42 11.561 -5.258 5.636 1.00 25.00 H new ATOM 0 HB VAL B 42 10.522 -6.238 8.337 1.00 25.00 H new ATOM 0 HG11 VAL B 42 11.301 -4.037 9.176 1.00 25.00 H new ATOM 0 HG12 VAL B 42 12.651 -5.001 8.533 1.00 25.00 H new ATOM 0 HG13 VAL B 42 11.976 -3.665 7.572 1.00 25.00 H new ATOM 0 HG21 VAL B 42 8.997 -4.268 8.186 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.618 -3.919 6.555 1.00 25.00 H new ATOM 0 HG23 VAL B 42 8.703 -5.415 6.857 1.00 25.00 H new ATOM 502 N GLU B 43 12.473 -8.098 7.064 1.00 25.00 N ATOM 503 CA GLU B 43 13.636 -8.925 7.398 1.00 25.00 C ATOM 504 C GLU B 43 14.510 -9.173 6.164 1.00 25.00 C ATOM 505 O GLU B 43 15.719 -9.080 6.239 1.00 25.00 O ATOM 506 CB GLU B 43 13.191 -10.271 7.979 1.00 25.00 C ATOM 507 CG GLU B 43 14.299 -11.047 8.674 1.00 25.00 C ATOM 508 CD GLU B 43 14.651 -10.475 10.015 1.00 25.00 C ATOM 509 OE1 GLU B 43 15.503 -9.678 10.193 1.00 25.00 O ATOM 510 OE2 GLU B 43 13.936 -10.943 10.976 1.00 25.00 O ATOM 0 H GLU B 43 11.574 -8.569 7.170 1.00 25.00 H new ATOM 0 HA GLU B 43 14.220 -8.383 8.142 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.383 -10.098 8.690 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.783 -10.884 7.175 1.00 25.00 H new ATOM 0 HG2 GLU B 43 13.989 -12.085 8.796 1.00 25.00 H new ATOM 0 HG3 GLU B 43 15.186 -11.052 8.041 1.00 25.00 H new ATOM 518 N ALA B 44 13.911 -9.482 5.033 1.00 25.00 N ATOM 519 CA ALA B 44 14.691 -9.717 3.816 1.00 25.00 C ATOM 520 C ALA B 44 15.311 -8.396 3.353 1.00 25.00 C ATOM 521 O ALA B 44 16.483 -8.345 2.980 1.00 25.00 O ATOM 522 CB ALA B 44 13.810 -10.308 2.714 1.00 25.00 C ATOM 0 H ALA B 44 12.902 -9.578 4.921 1.00 25.00 H new ATOM 0 HA ALA B 44 15.483 -10.434 4.032 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.409 -10.475 1.819 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.391 -11.256 3.052 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.000 -9.615 2.485 1.00 25.00 H new ATOM 528 N LEU B 45 14.542 -7.323 3.443 1.00 25.00 N ATOM 529 CA LEU B 45 15.028 -5.996 3.095 1.00 25.00 C ATOM 530 C LEU B 45 16.197 -5.625 4.009 1.00 25.00 C ATOM 531 O LEU B 45 17.107 -4.955 3.585 1.00 25.00 O ATOM 532 CB LEU B 45 13.895 -4.980 3.226 1.00 25.00 C ATOM 533 CG LEU B 45 14.082 -3.601 2.563 1.00 25.00 C ATOM 534 CD1 LEU B 45 14.061 -3.683 1.056 1.00 25.00 C ATOM 535 CD2 LEU B 45 12.985 -2.672 3.036 1.00 25.00 C ATOM 0 H LEU B 45 13.572 -7.345 3.756 1.00 25.00 H new ATOM 0 HA LEU B 45 15.377 -5.991 2.062 1.00 25.00 H new ATOM 0 HB2 LEU B 45 12.993 -5.430 2.812 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.712 -4.818 4.288 1.00 25.00 H new ATOM 0 HG LEU B 45 15.061 -3.220 2.854 1.00 25.00 H new ATOM 0 HD11 LEU B 45 14.196 -2.687 0.635 1.00 25.00 H new ATOM 0 HD12 LEU B 45 14.867 -4.333 0.716 1.00 25.00 H new ATOM 0 HD13 LEU B 45 13.104 -4.089 0.727 1.00 25.00 H new ATOM 0 HD21 LEU B 45 13.111 -1.694 2.571 1.00 25.00 H new ATOM 0 HD22 LEU B 45 12.015 -3.084 2.758 1.00 25.00 H new ATOM 0 HD23 LEU B 45 13.038 -2.568 4.120 1.00 25.00 H new ATOM 547 N TYR B 46 16.176 -6.105 5.245 1.00 25.00 N ATOM 548 CA TYR B 46 17.260 -5.864 6.198 1.00 25.00 C ATOM 549 C TYR B 46 18.488 -6.692 5.807 1.00 25.00 C ATOM 550 O TYR B 46 19.594 -6.201 5.851 1.00 25.00 O ATOM 551 CB TYR B 46 16.801 -6.223 7.611 1.00 25.00 C ATOM 552 CG TYR B 46 17.875 -6.017 8.653 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.018 -4.778 9.315 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.757 -7.069 8.989 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.027 -4.596 10.301 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.761 -6.888 9.962 1.00 25.00 C ATOM 557 CZ TYR B 46 19.887 -5.657 10.616 1.00 25.00 C ATOM 558 OH TYR B 46 20.865 -5.497 11.563 1.00 25.00 O ATOM 0 H TYR B 46 15.413 -6.670 5.618 1.00 25.00 H new ATOM 0 HA TYR B 46 17.529 -4.808 6.178 1.00 25.00 H new ATOM 0 HB2 TYR B 46 15.932 -5.618 7.869 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.481 -7.265 7.629 1.00 25.00 H new ATOM 0 HD1 TYR B 46 17.355 -3.961 9.070 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.661 -8.024 8.494 1.00 25.00 H new ATOM 0 HE1 TYR B 46 19.130 -3.646 10.804 1.00 25.00 H new ATOM 0 HE2 TYR B 46 20.433 -7.699 10.203 1.00 25.00 H new ATOM 0 HH TYR B 46 21.369 -6.332 11.657 1.00 25.00 H new ATOM 568 N LEU B 47 18.292 -7.924 5.372 1.00 25.00 N ATOM 569 CA LEU B 47 19.414 -8.755 4.912 1.00 25.00 C ATOM 570 C LEU B 47 20.089 -8.128 3.675 1.00 25.00 C ATOM 571 O LEU B 47 21.294 -8.285 3.486 1.00 25.00 O ATOM 572 CB LEU B 47 18.931 -10.173 4.589 1.00 25.00 C ATOM 573 CG LEU B 47 18.520 -11.034 5.796 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.822 -12.298 5.280 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.730 -11.410 6.660 1.00 25.00 C ATOM 0 H LEU B 47 17.379 -8.377 5.324 1.00 25.00 H new ATOM 0 HA LEU B 47 20.149 -8.808 5.715 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.080 -10.101 3.912 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.724 -10.692 4.050 1.00 25.00 H new ATOM 0 HG LEU B 47 17.842 -10.458 6.426 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.524 -12.920 6.124 1.00 25.00 H new ATOM 0 HD12 LEU B 47 16.939 -12.017 4.707 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.506 -12.857 4.642 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.401 -12.018 7.503 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.443 -11.976 6.061 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.208 -10.503 7.031 1.00 25.00 H new ATOM 587 N VAL B 48 19.330 -7.423 2.844 1.00 25.00 N ATOM 588 CA VAL B 48 19.909 -6.761 1.658 1.00 25.00 C ATOM 589 C VAL B 48 20.430 -5.325 1.933 1.00 25.00 C ATOM 590 O VAL B 48 21.527 -4.968 1.531 1.00 25.00 O ATOM 591 CB VAL B 48 18.843 -6.671 0.504 1.00 25.00 C ATOM 592 CG1 VAL B 48 19.441 -6.051 -0.768 1.00 25.00 C ATOM 593 CG2 VAL B 48 18.322 -8.056 0.143 1.00 25.00 C ATOM 0 H VAL B 48 18.325 -7.290 2.958 1.00 25.00 H new ATOM 0 HA VAL B 48 20.759 -7.380 1.372 1.00 25.00 H new ATOM 0 HB VAL B 48 18.033 -6.042 0.875 1.00 25.00 H new ATOM 0 HG11 VAL B 48 18.677 -6.004 -1.544 1.00 25.00 H new ATOM 0 HG12 VAL B 48 19.798 -5.045 -0.549 1.00 25.00 H new ATOM 0 HG13 VAL B 48 20.273 -6.664 -1.115 1.00 25.00 H new ATOM 0 HG21 VAL B 48 17.586 -7.971 -0.657 1.00 25.00 H new ATOM 0 HG22 VAL B 48 19.150 -8.681 -0.191 1.00 25.00 H new ATOM 0 HG23 VAL B 48 17.856 -8.509 1.018 1.00 25.00 H new ATOM 603 N CYS B 49 19.614 -4.506 2.582 1.00 25.00 N ATOM 604 CA CYS B 49 19.887 -3.069 2.755 1.00 25.00 C ATOM 605 C CYS B 49 20.186 -2.613 4.190 1.00 25.00 C ATOM 606 O CYS B 49 20.419 -1.429 4.443 1.00 25.00 O ATOM 607 CB CYS B 49 18.633 -2.285 2.323 1.00 25.00 C ATOM 608 SG CYS B 49 17.960 -2.656 0.662 1.00 25.00 S ATOM 0 H CYS B 49 18.739 -4.811 3.008 1.00 25.00 H new ATOM 0 HA CYS B 49 20.780 -2.881 2.159 1.00 25.00 H new ATOM 0 HB2 CYS B 49 17.848 -2.469 3.057 1.00 25.00 H new ATOM 0 HB3 CYS B 49 18.866 -1.221 2.365 1.00 25.00 H new ATOM 613 N GLY B 50 20.052 -3.519 5.149 1.00 25.00 N ATOM 614 CA GLY B 50 20.115 -3.161 6.567 1.00 25.00 C ATOM 615 C GLY B 50 21.490 -2.919 7.133 1.00 25.00 C ATOM 616 O GLY B 50 21.869 -3.553 8.114 1.00 25.00 O ATOM 0 H GLY B 50 19.898 -4.512 4.974 1.00 25.00 H new ATOM 0 HA2 GLY B 50 19.519 -2.261 6.720 1.00 25.00 H new ATOM 0 HA3 GLY B 50 19.643 -3.958 7.142 1.00 25.00 H new ATOM 620 N GLU B 51 22.225 -1.988 6.549 1.00 25.00 N ATOM 621 CA GLU B 51 23.567 -1.665 7.017 1.00 25.00 C ATOM 622 C GLU B 51 23.550 -1.150 8.456 1.00 25.00 C ATOM 623 O GLU B 51 24.130 -1.769 9.341 1.00 25.00 O ATOM 624 CB GLU B 51 24.209 -0.624 6.093 1.00 25.00 C ATOM 625 CG GLU B 51 24.328 -1.067 4.634 1.00 25.00 C ATOM 626 CD GLU B 51 25.022 -0.040 3.771 1.00 25.00 C ATOM 627 OE1 GLU B 51 25.234 1.092 4.123 1.00 25.00 O ATOM 628 OE2 GLU B 51 25.376 -0.497 2.620 1.00 25.00 O ATOM 0 H GLU B 51 21.916 -1.439 5.747 1.00 25.00 H new ATOM 0 HA GLU B 51 24.158 -2.581 6.997 1.00 25.00 H new ATOM 0 HB2 GLU B 51 23.622 0.294 6.135 1.00 25.00 H new ATOM 0 HB3 GLU B 51 25.203 -0.384 6.470 1.00 25.00 H new ATOM 0 HG2 GLU B 51 24.878 -2.007 4.587 1.00 25.00 H new ATOM 0 HG3 GLU B 51 23.332 -1.260 4.234 1.00 25.00 H new ATOM 636 N GLN B 52 22.871 -0.024 8.684 1.00 25.00 N ATOM 637 CA GLN B 52 22.776 0.581 10.032 1.00 25.00 C ATOM 638 C GLN B 52 21.709 1.688 10.112 1.00 25.00 C ATOM 639 O GLN B 52 21.937 2.734 10.701 1.00 25.00 O ATOM 640 CB GLN B 52 24.149 1.148 10.485 1.00 25.00 C ATOM 641 CG GLN B 52 24.813 2.139 9.510 1.00 25.00 C ATOM 642 CD GLN B 52 26.121 2.697 10.035 1.00 25.00 C ATOM 643 OE1 GLN B 52 26.683 2.210 11.003 1.00 25.00 O ATOM 644 NE2 GLN B 52 26.610 3.725 9.396 1.00 25.00 N ATOM 0 H GLN B 52 22.376 0.494 7.958 1.00 25.00 H new ATOM 0 HA GLN B 52 22.473 -0.221 10.705 1.00 25.00 H new ATOM 0 HB2 GLN B 52 24.018 1.644 11.446 1.00 25.00 H new ATOM 0 HB3 GLN B 52 24.831 0.313 10.648 1.00 25.00 H new ATOM 0 HG2 GLN B 52 24.993 1.639 8.558 1.00 25.00 H new ATOM 0 HG3 GLN B 52 24.126 2.962 9.313 1.00 25.00 H new ATOM 0 HE21 GLN B 52 26.115 4.108 8.591 1.00 25.00 H new ATOM 0 HE22 GLN B 52 27.487 4.146 9.702 1.00 25.00 H new ATOM 653 N GLY B 53 20.555 1.486 9.477 1.00 25.00 N ATOM 654 CA GLY B 53 19.547 2.550 9.457 1.00 25.00 C ATOM 655 C GLY B 53 18.096 2.130 9.333 1.00 25.00 C ATOM 656 O GLY B 53 17.295 2.897 8.844 1.00 25.00 O ATOM 0 H GLY B 53 20.298 0.630 8.986 1.00 25.00 H new ATOM 0 HA2 GLY B 53 19.653 3.132 10.372 1.00 25.00 H new ATOM 0 HA3 GLY B 53 19.777 3.217 8.627 1.00 25.00 H new ATOM 660 N PHE B 54 17.749 0.924 9.760 1.00 25.00 N ATOM 661 CA PHE B 54 16.364 0.461 9.624 1.00 25.00 C ATOM 662 C PHE B 54 15.456 0.974 10.729 1.00 25.00 C ATOM 663 O PHE B 54 14.241 0.982 10.593 1.00 25.00 O ATOM 664 CB PHE B 54 16.318 -1.053 9.572 1.00 25.00 C ATOM 665 CG PHE B 54 16.232 -1.597 8.176 1.00 25.00 C ATOM 666 CD1 PHE B 54 17.138 -1.169 7.184 1.00 25.00 C ATOM 667 CD2 PHE B 54 15.232 -2.524 7.826 1.00 25.00 C ATOM 668 CE1 PHE B 54 17.045 -1.661 5.875 1.00 25.00 C ATOM 669 CE2 PHE B 54 15.139 -3.024 6.520 1.00 25.00 C ATOM 670 CZ PHE B 54 16.049 -2.585 5.543 1.00 25.00 C ATOM 0 H PHE B 54 18.387 0.257 10.195 1.00 25.00 H new ATOM 0 HA PHE B 54 15.987 0.873 8.688 1.00 25.00 H new ATOM 0 HB2 PHE B 54 17.209 -1.453 10.056 1.00 25.00 H new ATOM 0 HB3 PHE B 54 15.459 -1.403 10.145 1.00 25.00 H new ATOM 0 HD1 PHE B 54 17.910 -0.456 7.435 1.00 25.00 H new ATOM 0 HD2 PHE B 54 14.527 -2.854 8.574 1.00 25.00 H new ATOM 0 HE1 PHE B 54 17.743 -1.326 5.122 1.00 25.00 H new ATOM 0 HE2 PHE B 54 14.373 -3.742 6.266 1.00 25.00 H new ATOM 0 HZ PHE B 54 15.979 -2.962 4.533 1.00 25.00 H new ATOM 680 N PHE B 55 16.061 1.425 11.817 1.00 25.00 N ATOM 681 CA PHE B 55 15.330 2.017 12.933 1.00 25.00 C ATOM 682 C PHE B 55 16.385 2.735 13.747 1.00 25.00 C ATOM 683 O PHE B 55 17.567 2.499 13.553 1.00 25.00 O ATOM 684 CB PHE B 55 14.665 0.937 13.806 1.00 25.00 C ATOM 685 CG PHE B 55 13.253 1.280 14.272 1.00 25.00 C ATOM 686 CD1 PHE B 55 12.787 2.612 14.373 1.00 25.00 C ATOM 687 CD2 PHE B 55 12.383 0.231 14.627 1.00 25.00 C ATOM 688 CE1 PHE B 55 11.472 2.881 14.823 1.00 25.00 C ATOM 689 CE2 PHE B 55 11.076 0.493 15.070 1.00 25.00 C ATOM 690 CZ PHE B 55 10.618 1.817 15.161 1.00 25.00 C ATOM 0 H PHE B 55 17.071 1.392 11.954 1.00 25.00 H new ATOM 0 HA PHE B 55 14.535 2.674 12.580 1.00 25.00 H new ATOM 0 HB2 PHE B 55 14.632 0.004 13.244 1.00 25.00 H new ATOM 0 HB3 PHE B 55 15.290 0.760 14.681 1.00 25.00 H new ATOM 0 HD1 PHE B 55 13.439 3.430 14.105 1.00 25.00 H new ATOM 0 HD2 PHE B 55 12.726 -0.791 14.558 1.00 25.00 H new ATOM 0 HE1 PHE B 55 11.126 3.901 14.906 1.00 25.00 H new ATOM 0 HE2 PHE B 55 10.424 -0.324 15.341 1.00 25.00 H new ATOM 0 HZ PHE B 55 9.609 2.018 15.491 1.00 25.00 H new ATOM 700 N TYR B 56 15.962 3.536 14.708 1.00 25.00 N ATOM 701 CA TYR B 56 16.872 4.167 15.665 1.00 25.00 C ATOM 702 C TYR B 56 16.182 4.092 17.013 1.00 25.00 C ATOM 703 O TYR B 56 15.003 4.414 17.128 1.00 25.00 O ATOM 704 CB TYR B 56 17.143 5.627 15.286 1.00 25.00 C ATOM 705 CG TYR B 56 17.994 6.377 16.305 1.00 25.00 C ATOM 706 CD1 TYR B 56 19.368 6.113 16.421 1.00 25.00 C ATOM 707 CD2 TYR B 56 17.420 7.359 17.140 1.00 25.00 C ATOM 708 CE1 TYR B 56 20.165 6.825 17.351 1.00 25.00 C ATOM 709 CE2 TYR B 56 18.223 8.077 18.078 1.00 25.00 C ATOM 710 CZ TYR B 56 19.589 7.795 18.179 1.00 25.00 C ATOM 711 OH TYR B 56 20.369 8.468 19.083 1.00 25.00 O ATOM 0 H TYR B 56 14.980 3.771 14.853 1.00 25.00 H new ATOM 0 HA TYR B 56 17.837 3.661 15.678 1.00 25.00 H new ATOM 0 HB2 TYR B 56 17.643 5.655 14.318 1.00 25.00 H new ATOM 0 HB3 TYR B 56 16.191 6.145 15.169 1.00 25.00 H new ATOM 0 HD1 TYR B 56 19.822 5.359 15.795 1.00 25.00 H new ATOM 0 HD2 TYR B 56 16.363 7.570 17.069 1.00 25.00 H new ATOM 0 HE1 TYR B 56 21.223 6.618 17.421 1.00 25.00 H new ATOM 0 HE2 TYR B 56 17.777 8.834 18.706 1.00 25.00 H new ATOM 0 HH TYR B 56 19.817 9.108 19.579 1.00 25.00 H new ATOM 721 N THR B 57 16.902 3.636 18.021 1.00 25.00 N ATOM 722 CA THR B 57 16.359 3.522 19.371 1.00 25.00 C ATOM 723 C THR B 57 17.475 3.986 20.313 1.00 25.00 C ATOM 724 O THR B 57 18.475 3.288 20.499 1.00 25.00 O ATOM 725 CB THR B 57 15.861 2.068 19.696 1.00 25.00 C ATOM 726 OG1 THR B 57 15.881 1.852 21.110 1.00 25.00 O ATOM 727 CG2 THR B 57 16.707 0.990 19.040 1.00 25.00 C ATOM 0 H THR B 57 17.873 3.335 17.934 1.00 25.00 H new ATOM 0 HA THR B 57 15.469 4.141 19.488 1.00 25.00 H new ATOM 0 HB THR B 57 14.849 1.994 19.297 1.00 25.00 H new ATOM 0 HG1 THR B 57 15.568 0.944 21.307 1.00 25.00 H new ATOM 0 HG21 THR B 57 16.313 0.008 19.302 1.00 25.00 H new ATOM 0 HG22 THR B 57 16.680 1.115 17.957 1.00 25.00 H new ATOM 0 HG23 THR B 57 17.736 1.073 19.389 1.00 25.00 H new ATOM 735 N PRO B 58 17.357 5.214 20.855 1.00 25.00 N ATOM 736 CA PRO B 58 18.461 5.642 21.728 1.00 25.00 C ATOM 737 C PRO B 58 18.494 4.826 23.016 1.00 25.00 C ATOM 738 O PRO B 58 17.477 4.665 23.702 1.00 25.00 O ATOM 739 CB PRO B 58 18.159 7.122 21.983 1.00 25.00 C ATOM 740 CG PRO B 58 16.688 7.222 21.845 1.00 25.00 C ATOM 741 CD PRO B 58 16.320 6.258 20.746 1.00 25.00 C ATOM 0 HA PRO B 58 19.445 5.493 21.284 1.00 25.00 H new ATOM 0 HB2 PRO B 58 18.488 7.430 22.976 1.00 25.00 H new ATOM 0 HB3 PRO B 58 18.671 7.762 21.265 1.00 25.00 H new ATOM 0 HG2 PRO B 58 16.188 6.963 22.778 1.00 25.00 H new ATOM 0 HG3 PRO B 58 16.386 8.238 21.593 1.00 25.00 H new ATOM 0 HD2 PRO B 58 15.320 5.849 20.887 1.00 25.00 H new ATOM 0 HD3 PRO B 58 16.333 6.738 19.768 1.00 25.00 H new ATOM 749 N LYS B 59 19.657 4.265 23.304 1.00 25.00 N ATOM 750 CA LYS B 59 19.849 3.384 24.446 1.00 25.00 C ATOM 751 C LYS B 59 21.347 3.363 24.639 1.00 25.00 C ATOM 752 O LYS B 59 22.072 4.055 23.933 1.00 25.00 O ATOM 753 CB LYS B 59 19.296 1.992 24.125 1.00 25.00 C ATOM 754 CG LYS B 59 18.690 1.290 25.332 1.00 25.00 C ATOM 755 CD LYS B 59 18.201 -0.106 24.977 1.00 25.00 C ATOM 756 CE LYS B 59 17.565 -0.781 26.200 1.00 25.00 C ATOM 757 NZ LYS B 59 17.124 -2.194 25.903 1.00 25.00 N ATOM 0 H LYS B 59 20.500 4.409 22.749 1.00 25.00 H new ATOM 0 HA LYS B 59 19.331 3.714 25.347 1.00 25.00 H new ATOM 0 HB2 LYS B 59 18.538 2.081 23.347 1.00 25.00 H new ATOM 0 HB3 LYS B 59 20.098 1.375 23.720 1.00 25.00 H new ATOM 0 HG2 LYS B 59 19.432 1.225 26.127 1.00 25.00 H new ATOM 0 HG3 LYS B 59 17.859 1.880 25.719 1.00 25.00 H new ATOM 0 HD2 LYS B 59 17.474 -0.048 24.167 1.00 25.00 H new ATOM 0 HD3 LYS B 59 19.034 -0.708 24.614 1.00 25.00 H new ATOM 0 HE2 LYS B 59 18.281 -0.790 27.022 1.00 25.00 H new ATOM 0 HE3 LYS B 59 16.707 -0.196 26.531 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 16.700 -2.612 26.756 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 16.421 -2.184 25.136 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 17.946 -2.760 25.612 1.00 25.00 H new ATOM 771 N THR B 60 21.819 2.490 25.530 1.00 25.00 N ATOM 772 CA THR B 60 23.246 2.222 25.689 1.00 25.00 C ATOM 773 C THR B 60 23.921 1.820 24.362 1.00 25.00 C ATOM 774 O THR B 60 25.083 2.011 24.116 1.00 25.00 O ATOM 775 CB THR B 60 23.439 1.104 26.733 1.00 25.00 C ATOM 776 OG1 THR B 60 22.450 0.105 26.461 1.00 25.00 O ATOM 777 CG2 THR B 60 23.175 1.633 28.151 1.00 25.00 C ATOM 778 OXT THR B 60 23.173 1.171 23.536 1.00 25.00 O ATOM 0 H THR B 60 21.224 1.951 26.159 1.00 25.00 H new ATOM 0 HA THR B 60 23.722 3.144 26.025 1.00 25.00 H new ATOM 0 HB THR B 60 24.458 0.721 26.675 1.00 25.00 H new ATOM 0 HG1 THR B 60 22.540 -0.628 27.105 1.00 25.00 H new ATOM 0 HG21 THR B 60 23.317 0.828 28.872 1.00 25.00 H new ATOM 0 HG22 THR B 60 23.869 2.444 28.372 1.00 25.00 H new ATOM 0 HG23 THR B 60 22.152 2.003 28.217 1.00 25.00 H new TER 787 THR B 60