USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 403 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 7 MET CE :methyl 170:sc= -0.743 (180deg=-0.901) USER MOD Set 1.2: A 10 THR OG1 : rot 79:sc= 0.683 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.0111 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.444 K(o=-0.44,f=-1.9) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.31 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.098) USER MOD Single : A 37 MET CE :methyl 154:sc= -2.76 (180deg=-4.01!) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.242 1.225 -1.752 1.00 0.00 N ATOM 2 CA MET A 1 4.128 0.315 -1.992 1.00 0.00 C ATOM 3 C MET A 1 4.349 -0.491 -3.268 1.00 0.00 C ATOM 4 O MET A 1 4.807 0.041 -4.278 1.00 0.00 O ATOM 5 CB MET A 1 2.816 1.097 -2.090 1.00 0.00 C ATOM 6 CG MET A 1 2.020 1.112 -0.795 1.00 0.00 C ATOM 7 SD MET A 1 2.611 2.356 0.369 1.00 0.00 S ATOM 8 CE MET A 1 3.013 1.333 1.783 1.00 0.00 C ATOM 0 H1 MET A 1 4.891 2.090 -1.293 1.00 0.00 H new ATOM 0 H2 MET A 1 5.940 0.764 -1.134 1.00 0.00 H new ATOM 0 H3 MET A 1 5.690 1.472 -2.658 1.00 0.00 H new ATOM 0 HA MET A 1 4.069 -0.377 -1.152 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.035 2.123 -2.384 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.202 0.663 -2.879 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.970 1.300 -1.020 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.074 0.128 -0.328 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.393 1.960 2.589 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.118 0.811 2.121 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.773 0.605 1.501 1.00 0.00 H new ATOM 18 N ASN A 2 4.021 -1.778 -3.213 1.00 0.00 N ATOM 19 CA ASN A 2 4.185 -2.658 -4.365 1.00 0.00 C ATOM 20 C ASN A 2 3.521 -4.009 -4.116 1.00 0.00 C ATOM 21 O ASN A 2 4.185 -4.981 -3.756 1.00 0.00 O ATOM 22 CB ASN A 2 5.670 -2.856 -4.674 1.00 0.00 C ATOM 23 CG ASN A 2 6.488 -3.135 -3.427 1.00 0.00 C ATOM 24 OD1 ASN A 2 6.797 -2.225 -2.658 1.00 0.00 O ATOM 25 ND2 ASN A 2 6.842 -4.398 -3.222 1.00 0.00 N ATOM 0 H ASN A 2 3.640 -2.234 -2.384 1.00 0.00 H new ATOM 0 HA ASN A 2 3.702 -2.188 -5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 2 5.786 -3.684 -5.374 1.00 0.00 H new ATOM 0 HB3 ASN A 2 6.058 -1.965 -5.168 1.00 0.00 H new ATOM 0 HD21 ASN A 2 7.393 -4.646 -2.400 1.00 0.00 H new ATOM 0 HD22 ASN A 2 6.563 -5.120 -3.886 1.00 0.00 H new ATOM 32 N ILE A 3 2.208 -4.061 -4.312 1.00 0.00 N ATOM 33 CA ILE A 3 1.454 -5.293 -4.111 1.00 0.00 C ATOM 34 C ILE A 3 0.313 -5.409 -5.116 1.00 0.00 C ATOM 35 O ILE A 3 0.002 -4.458 -5.834 1.00 0.00 O ATOM 36 CB ILE A 3 0.878 -5.373 -2.685 1.00 0.00 C ATOM 37 CG1 ILE A 3 0.789 -3.976 -2.068 1.00 0.00 C ATOM 38 CG2 ILE A 3 1.732 -6.288 -1.820 1.00 0.00 C ATOM 39 CD1 ILE A 3 -0.168 -3.056 -2.792 1.00 0.00 C ATOM 0 H ILE A 3 1.644 -3.265 -4.610 1.00 0.00 H new ATOM 0 HA ILE A 3 2.151 -6.118 -4.260 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.128 -5.790 -2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.476 -4.066 -1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.781 -3.525 -2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.312 -6.335 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.748 -7.288 -2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.749 -5.898 -1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.180 -2.083 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.155 -2.935 -3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.170 -3.485 -2.773 1.00 0.00 H new ATOM 51 N THR A 4 -0.310 -6.583 -5.162 1.00 0.00 N ATOM 52 CA THR A 4 -1.417 -6.825 -6.078 1.00 0.00 C ATOM 53 C THR A 4 -2.185 -8.084 -5.692 1.00 0.00 C ATOM 54 O THR A 4 -1.690 -9.199 -5.857 1.00 0.00 O ATOM 55 CB THR A 4 -0.924 -6.963 -7.531 1.00 0.00 C ATOM 56 OG1 THR A 4 0.439 -7.400 -7.547 1.00 0.00 O ATOM 57 CG2 THR A 4 -1.046 -5.639 -8.272 1.00 0.00 C ATOM 0 H THR A 4 -0.066 -7.381 -4.575 1.00 0.00 H new ATOM 0 HA THR A 4 -2.080 -5.963 -6.007 1.00 0.00 H new ATOM 0 HB THR A 4 -1.548 -7.702 -8.034 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.744 -7.487 -8.474 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.692 -5.761 -9.296 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.089 -5.324 -8.284 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.444 -4.883 -7.768 1.00 0.00 H new ATOM 65 N SER A 5 -3.397 -7.899 -5.179 1.00 0.00 N ATOM 66 CA SER A 5 -4.232 -9.021 -4.767 1.00 0.00 C ATOM 67 C SER A 5 -5.675 -8.574 -4.554 1.00 0.00 C ATOM 68 O SER A 5 -6.056 -7.468 -4.936 1.00 0.00 O ATOM 69 CB SER A 5 -3.685 -9.646 -3.483 1.00 0.00 C ATOM 70 OG SER A 5 -4.298 -10.898 -3.224 1.00 0.00 O ATOM 0 H SER A 5 -3.823 -6.983 -5.039 1.00 0.00 H new ATOM 0 HA SER A 5 -4.214 -9.767 -5.562 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.606 -9.777 -3.569 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.859 -8.972 -2.644 1.00 0.00 H new ATOM 0 HG SER A 5 -3.930 -11.278 -2.399 1.00 0.00 H new ATOM 76 N GLN A 6 -6.473 -9.443 -3.942 1.00 0.00 N ATOM 77 CA GLN A 6 -7.874 -9.139 -3.678 1.00 0.00 C ATOM 78 C GLN A 6 -8.021 -8.304 -2.410 1.00 0.00 C ATOM 79 O GLN A 6 -8.778 -8.659 -1.506 1.00 0.00 O ATOM 80 CB GLN A 6 -8.683 -10.431 -3.549 1.00 0.00 C ATOM 81 CG GLN A 6 -8.218 -11.329 -2.414 1.00 0.00 C ATOM 82 CD GLN A 6 -8.629 -12.775 -2.608 1.00 0.00 C ATOM 83 OE1 GLN A 6 -7.816 -13.618 -2.990 1.00 0.00 O ATOM 84 NE2 GLN A 6 -9.897 -13.071 -2.346 1.00 0.00 N ATOM 0 H GLN A 6 -6.173 -10.363 -3.620 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.258 -8.561 -4.518 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.732 -10.179 -3.395 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.622 -10.983 -4.487 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.133 -11.272 -2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.629 -10.962 -1.474 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.537 -12.341 -2.032 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.231 -14.028 -2.459 1.00 0.00 H new ATOM 93 N MET A 7 -7.292 -7.195 -2.350 1.00 0.00 N ATOM 94 CA MET A 7 -7.342 -6.310 -1.192 1.00 0.00 C ATOM 95 C MET A 7 -7.722 -4.892 -1.608 1.00 0.00 C ATOM 96 O MET A 7 -7.423 -4.461 -2.721 1.00 0.00 O ATOM 97 CB MET A 7 -5.992 -6.298 -0.473 1.00 0.00 C ATOM 98 CG MET A 7 -5.768 -5.060 0.379 1.00 0.00 C ATOM 99 SD MET A 7 -4.195 -5.099 1.261 1.00 0.00 S ATOM 100 CE MET A 7 -3.048 -4.795 -0.081 1.00 0.00 C ATOM 0 H MET A 7 -6.660 -6.888 -3.089 1.00 0.00 H new ATOM 0 HA MET A 7 -8.105 -6.687 -0.511 1.00 0.00 H new ATOM 0 HB2 MET A 7 -5.919 -7.183 0.160 1.00 0.00 H new ATOM 0 HB3 MET A 7 -5.195 -6.369 -1.213 1.00 0.00 H new ATOM 0 HG2 MET A 7 -5.802 -4.175 -0.257 1.00 0.00 H new ATOM 0 HG3 MET A 7 -6.581 -4.967 1.099 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.053 -4.613 0.325 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.018 -5.664 -0.738 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.374 -3.923 -0.648 1.00 0.00 H new ATOM 110 N ASN A 8 -8.382 -4.172 -0.706 1.00 0.00 N ATOM 111 CA ASN A 8 -8.803 -2.803 -0.981 1.00 0.00 C ATOM 112 C ASN A 8 -7.598 -1.905 -1.243 1.00 0.00 C ATOM 113 O ASN A 8 -7.533 -1.215 -2.260 1.00 0.00 O ATOM 114 CB ASN A 8 -9.617 -2.253 0.192 1.00 0.00 C ATOM 115 CG ASN A 8 -10.986 -2.898 0.298 1.00 0.00 C ATOM 116 OD1 ASN A 8 -11.144 -3.946 0.924 1.00 0.00 O ATOM 117 ND2 ASN A 8 -11.984 -2.272 -0.315 1.00 0.00 N ATOM 0 H ASN A 8 -8.637 -4.514 0.221 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.427 -2.814 -1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.069 -2.416 1.120 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.734 -1.175 0.076 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -12.927 -2.658 -0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.807 -1.405 -0.823 1.00 0.00 H new ATOM 124 N LYS A 9 -6.644 -1.921 -0.318 1.00 0.00 N ATOM 125 CA LYS A 9 -5.438 -1.110 -0.448 1.00 0.00 C ATOM 126 C LYS A 9 -4.838 -1.248 -1.844 1.00 0.00 C ATOM 127 O LYS A 9 -4.539 -0.252 -2.503 1.00 0.00 O ATOM 128 CB LYS A 9 -4.407 -1.521 0.605 1.00 0.00 C ATOM 129 CG LYS A 9 -4.017 -0.395 1.547 1.00 0.00 C ATOM 130 CD LYS A 9 -4.922 -0.352 2.767 1.00 0.00 C ATOM 131 CE LYS A 9 -4.316 0.490 3.880 1.00 0.00 C ATOM 132 NZ LYS A 9 -4.755 1.911 3.803 1.00 0.00 N ATOM 0 H LYS A 9 -6.682 -2.487 0.530 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.712 -0.067 -0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.807 -2.350 1.189 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.513 -1.888 0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.983 -0.526 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.070 0.557 1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.893 0.057 2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.095 -1.365 3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.601 0.074 4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.229 0.442 3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.320 2.451 4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.461 2.316 2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.791 1.959 3.885 1.00 0.00 H new ATOM 146 N THR A 10 -4.666 -2.488 -2.289 1.00 0.00 N ATOM 147 CA THR A 10 -4.102 -2.756 -3.607 1.00 0.00 C ATOM 148 C THR A 10 -4.908 -2.063 -4.700 1.00 0.00 C ATOM 149 O THR A 10 -4.343 -1.512 -5.646 1.00 0.00 O ATOM 150 CB THR A 10 -4.053 -4.267 -3.900 1.00 0.00 C ATOM 151 OG1 THR A 10 -4.901 -4.972 -2.987 1.00 0.00 O ATOM 152 CG2 THR A 10 -2.630 -4.794 -3.788 1.00 0.00 C ATOM 0 H THR A 10 -4.909 -3.323 -1.756 1.00 0.00 H new ATOM 0 HA THR A 10 -3.086 -2.362 -3.603 1.00 0.00 H new ATOM 0 HB THR A 10 -4.405 -4.428 -4.919 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.834 -4.887 -3.275 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.620 -5.863 -3.999 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.993 -4.277 -4.505 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.256 -4.620 -2.779 1.00 0.00 H new ATOM 160 N ILE A 11 -6.229 -2.094 -4.565 1.00 0.00 N ATOM 161 CA ILE A 11 -7.111 -1.467 -5.541 1.00 0.00 C ATOM 162 C ILE A 11 -6.814 0.023 -5.674 1.00 0.00 C ATOM 163 O ILE A 11 -6.880 0.584 -6.768 1.00 0.00 O ATOM 164 CB ILE A 11 -8.592 -1.651 -5.162 1.00 0.00 C ATOM 165 CG1 ILE A 11 -8.953 -3.138 -5.134 1.00 0.00 C ATOM 166 CG2 ILE A 11 -9.487 -0.902 -6.138 1.00 0.00 C ATOM 167 CD1 ILE A 11 -10.129 -3.458 -4.238 1.00 0.00 C ATOM 0 H ILE A 11 -6.712 -2.547 -3.789 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.925 -1.959 -6.496 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.750 -1.239 -4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.179 -3.468 -6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.086 -3.708 -4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.530 -1.042 -5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.244 0.160 -6.113 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.329 -1.287 -7.146 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.328 -4.529 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.899 -3.160 -3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.009 -2.916 -4.585 1.00 0.00 H new ATOM 179 N ILE A 12 -6.484 0.657 -4.554 1.00 0.00 N ATOM 180 CA ILE A 12 -6.174 2.081 -4.546 1.00 0.00 C ATOM 181 C ILE A 12 -4.823 2.352 -5.199 1.00 0.00 C ATOM 182 O ILE A 12 -4.728 3.113 -6.161 1.00 0.00 O ATOM 183 CB ILE A 12 -6.161 2.646 -3.114 1.00 0.00 C ATOM 184 CG1 ILE A 12 -7.283 2.018 -2.284 1.00 0.00 C ATOM 185 CG2 ILE A 12 -6.301 4.161 -3.141 1.00 0.00 C ATOM 186 CD1 ILE A 12 -7.494 2.689 -0.946 1.00 0.00 C ATOM 0 H ILE A 12 -6.424 0.207 -3.641 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.958 2.578 -5.117 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.207 2.396 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.212 2.060 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -7.057 0.964 -2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.290 4.546 -2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.471 4.593 -3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.242 4.431 -3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.304 2.191 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.579 2.624 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.752 3.737 -1.101 1.00 0.00 H new ATOM 198 N GLY A 13 -3.778 1.722 -4.670 1.00 0.00 N ATOM 199 CA GLY A 13 -2.446 1.907 -5.215 1.00 0.00 C ATOM 200 C GLY A 13 -2.374 1.578 -6.693 1.00 0.00 C ATOM 201 O GLY A 13 -1.913 2.390 -7.496 1.00 0.00 O ATOM 0 H GLY A 13 -3.831 1.087 -3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.134 2.940 -5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.743 1.276 -4.671 1.00 0.00 H new ATOM 205 N VAL A 14 -2.828 0.382 -7.055 1.00 0.00 N ATOM 206 CA VAL A 14 -2.812 -0.053 -8.446 1.00 0.00 C ATOM 207 C VAL A 14 -3.569 0.926 -9.337 1.00 0.00 C ATOM 208 O VAL A 14 -3.061 1.362 -10.370 1.00 0.00 O ATOM 209 CB VAL A 14 -3.430 -1.455 -8.602 1.00 0.00 C ATOM 210 CG1 VAL A 14 -3.471 -1.861 -10.068 1.00 0.00 C ATOM 211 CG2 VAL A 14 -2.654 -2.473 -7.781 1.00 0.00 C ATOM 0 H VAL A 14 -3.211 -0.303 -6.404 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.767 -0.088 -8.755 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.454 -1.425 -8.229 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.911 -2.854 -10.158 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.074 -1.145 -10.627 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.458 -1.875 -10.470 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.104 -3.458 -7.903 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.619 -2.502 -8.122 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.682 -2.189 -6.729 1.00 0.00 H new ATOM 221 N SER A 15 -4.787 1.268 -8.930 1.00 0.00 N ATOM 222 CA SER A 15 -5.616 2.194 -9.693 1.00 0.00 C ATOM 223 C SER A 15 -4.883 3.510 -9.932 1.00 0.00 C ATOM 224 O SER A 15 -4.950 4.083 -11.019 1.00 0.00 O ATOM 225 CB SER A 15 -6.933 2.456 -8.958 1.00 0.00 C ATOM 226 OG SER A 15 -7.730 3.395 -9.660 1.00 0.00 O ATOM 0 H SER A 15 -5.222 0.918 -8.076 1.00 0.00 H new ATOM 0 HA SER A 15 -5.831 1.738 -10.660 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.482 1.521 -8.844 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.726 2.828 -7.955 1.00 0.00 H new ATOM 0 HG SER A 15 -8.566 3.544 -9.171 1.00 0.00 H new ATOM 232 N VAL A 16 -4.182 3.984 -8.907 1.00 0.00 N ATOM 233 CA VAL A 16 -3.434 5.232 -9.004 1.00 0.00 C ATOM 234 C VAL A 16 -2.235 5.083 -9.933 1.00 0.00 C ATOM 235 O VAL A 16 -2.071 5.851 -10.882 1.00 0.00 O ATOM 236 CB VAL A 16 -2.944 5.701 -7.621 1.00 0.00 C ATOM 237 CG1 VAL A 16 -2.131 6.981 -7.749 1.00 0.00 C ATOM 238 CG2 VAL A 16 -4.120 5.900 -6.678 1.00 0.00 C ATOM 0 H VAL A 16 -4.116 3.523 -8.000 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.115 5.979 -9.412 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.299 4.928 -7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.793 7.298 -6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.267 6.801 -8.388 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.750 7.763 -8.189 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.755 6.231 -5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.792 6.653 -7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.657 4.959 -6.562 1.00 0.00 H new ATOM 248 N LEU A 17 -1.398 4.089 -9.654 1.00 0.00 N ATOM 249 CA LEU A 17 -0.212 3.838 -10.466 1.00 0.00 C ATOM 250 C LEU A 17 -0.571 3.765 -11.947 1.00 0.00 C ATOM 251 O LEU A 17 0.137 4.308 -12.795 1.00 0.00 O ATOM 252 CB LEU A 17 0.463 2.537 -10.028 1.00 0.00 C ATOM 253 CG LEU A 17 1.544 2.669 -8.955 1.00 0.00 C ATOM 254 CD1 LEU A 17 1.097 3.629 -7.863 1.00 0.00 C ATOM 255 CD2 LEU A 17 1.881 1.307 -8.366 1.00 0.00 C ATOM 0 H LEU A 17 -1.519 3.445 -8.873 1.00 0.00 H new ATOM 0 HA LEU A 17 0.481 4.667 -10.320 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.306 1.859 -9.659 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.907 2.068 -10.906 1.00 0.00 H new ATOM 0 HG LEU A 17 2.443 3.073 -9.420 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.879 3.711 -7.108 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.908 4.611 -8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.184 3.254 -7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.652 1.421 -7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.988 0.874 -7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.245 0.649 -9.155 1.00 0.00 H new ATOM 267 N SER A 18 -1.676 3.092 -12.250 1.00 0.00 N ATOM 268 CA SER A 18 -2.128 2.947 -13.629 1.00 0.00 C ATOM 269 C SER A 18 -2.470 4.305 -14.234 1.00 0.00 C ATOM 270 O SER A 18 -1.981 4.660 -15.307 1.00 0.00 O ATOM 271 CB SER A 18 -3.348 2.026 -13.693 1.00 0.00 C ATOM 272 OG SER A 18 -3.754 1.811 -15.034 1.00 0.00 O ATOM 0 H SER A 18 -2.275 2.639 -11.560 1.00 0.00 H new ATOM 0 HA SER A 18 -1.317 2.505 -14.207 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.112 1.071 -13.223 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.169 2.465 -13.127 1.00 0.00 H new ATOM 0 HG SER A 18 -4.534 1.218 -15.049 1.00 0.00 H new ATOM 278 N VAL A 19 -3.313 5.061 -13.538 1.00 0.00 N ATOM 279 CA VAL A 19 -3.720 6.381 -14.005 1.00 0.00 C ATOM 280 C VAL A 19 -2.509 7.228 -14.382 1.00 0.00 C ATOM 281 O VAL A 19 -2.530 7.952 -15.379 1.00 0.00 O ATOM 282 CB VAL A 19 -4.541 7.126 -12.936 1.00 0.00 C ATOM 283 CG1 VAL A 19 -4.877 8.533 -13.406 1.00 0.00 C ATOM 284 CG2 VAL A 19 -5.805 6.351 -12.600 1.00 0.00 C ATOM 0 H VAL A 19 -3.727 4.782 -12.649 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.341 6.227 -14.887 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.940 7.205 -12.030 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.457 9.044 -12.638 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.955 9.084 -13.592 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.460 8.480 -14.326 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.373 6.892 -11.843 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.412 6.239 -13.498 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.537 5.366 -12.218 1.00 0.00 H new ATOM 294 N LEU A 20 -1.455 7.133 -13.580 1.00 0.00 N ATOM 295 CA LEU A 20 -0.233 7.891 -13.830 1.00 0.00 C ATOM 296 C LEU A 20 0.444 7.425 -15.115 1.00 0.00 C ATOM 297 O LEU A 20 0.634 8.206 -16.047 1.00 0.00 O ATOM 298 CB LEU A 20 0.730 7.745 -12.651 1.00 0.00 C ATOM 299 CG LEU A 20 2.200 8.046 -12.944 1.00 0.00 C ATOM 300 CD1 LEU A 20 2.347 9.419 -13.583 1.00 0.00 C ATOM 301 CD2 LEU A 20 3.028 7.958 -11.670 1.00 0.00 C ATOM 0 H LEU A 20 -1.421 6.539 -12.751 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.503 8.941 -13.944 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.397 8.407 -11.851 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.657 6.726 -12.272 1.00 0.00 H new ATOM 0 HG LEU A 20 2.570 7.299 -13.646 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.400 9.616 -13.784 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.787 9.447 -14.518 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.959 10.179 -12.905 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.071 8.175 -11.898 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.657 8.682 -10.944 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.949 6.954 -11.254 1.00 0.00 H new ATOM 313 N VAL A 21 0.804 6.146 -15.158 1.00 0.00 N ATOM 314 CA VAL A 21 1.456 5.574 -16.330 1.00 0.00 C ATOM 315 C VAL A 21 0.668 5.876 -17.599 1.00 0.00 C ATOM 316 O VAL A 21 1.227 6.337 -18.595 1.00 0.00 O ATOM 317 CB VAL A 21 1.622 4.049 -16.192 1.00 0.00 C ATOM 318 CG1 VAL A 21 2.474 3.500 -17.326 1.00 0.00 C ATOM 319 CG2 VAL A 21 2.229 3.699 -14.841 1.00 0.00 C ATOM 0 H VAL A 21 0.655 5.486 -14.394 1.00 0.00 H new ATOM 0 HA VAL A 21 2.442 6.034 -16.400 1.00 0.00 H new ATOM 0 HB VAL A 21 0.637 3.587 -16.253 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.580 2.421 -17.212 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.994 3.718 -18.280 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.459 3.966 -17.300 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.339 2.618 -14.761 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.207 4.171 -14.748 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.576 4.057 -14.045 1.00 0.00 H new ATOM 329 N VAL A 22 -0.634 5.614 -17.557 1.00 0.00 N ATOM 330 CA VAL A 22 -1.501 5.859 -18.704 1.00 0.00 C ATOM 331 C VAL A 22 -1.330 7.280 -19.228 1.00 0.00 C ATOM 332 O VAL A 22 -1.072 7.488 -20.414 1.00 0.00 O ATOM 333 CB VAL A 22 -2.982 5.629 -18.348 1.00 0.00 C ATOM 334 CG1 VAL A 22 -3.884 6.134 -19.463 1.00 0.00 C ATOM 335 CG2 VAL A 22 -3.240 4.157 -18.067 1.00 0.00 C ATOM 0 H VAL A 22 -1.112 5.232 -16.741 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.208 5.151 -19.479 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.212 6.193 -17.444 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.926 5.963 -19.194 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.718 7.201 -19.610 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.656 5.600 -20.386 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.291 4.013 -17.817 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.993 3.569 -18.951 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.621 3.832 -17.231 1.00 0.00 H new ATOM 345 N SER A 23 -1.475 8.255 -18.337 1.00 0.00 N ATOM 346 CA SER A 23 -1.339 9.658 -18.710 1.00 0.00 C ATOM 347 C SER A 23 0.012 9.917 -19.370 1.00 0.00 C ATOM 348 O SER A 23 0.082 10.323 -20.530 1.00 0.00 O ATOM 349 CB SER A 23 -1.499 10.553 -17.480 1.00 0.00 C ATOM 350 OG SER A 23 -1.301 11.916 -17.811 1.00 0.00 O ATOM 0 H SER A 23 -1.687 8.099 -17.351 1.00 0.00 H new ATOM 0 HA SER A 23 -2.125 9.895 -19.427 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.494 10.419 -17.056 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.784 10.254 -16.714 1.00 0.00 H new ATOM 0 HG SER A 23 -1.410 12.467 -17.008 1.00 0.00 H new ATOM 356 N VAL A 24 1.084 9.679 -18.621 1.00 0.00 N ATOM 357 CA VAL A 24 2.434 9.884 -19.132 1.00 0.00 C ATOM 358 C VAL A 24 2.622 9.199 -20.480 1.00 0.00 C ATOM 359 O VAL A 24 3.239 9.753 -21.390 1.00 0.00 O ATOM 360 CB VAL A 24 3.493 9.355 -18.147 1.00 0.00 C ATOM 361 CG1 VAL A 24 4.894 9.669 -18.649 1.00 0.00 C ATOM 362 CG2 VAL A 24 3.271 9.940 -16.760 1.00 0.00 C ATOM 0 H VAL A 24 1.044 9.344 -17.658 1.00 0.00 H new ATOM 0 HA VAL A 24 2.566 10.959 -19.253 1.00 0.00 H new ATOM 0 HB VAL A 24 3.392 8.272 -18.080 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.629 9.288 -17.940 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.047 9.197 -19.619 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.012 10.748 -18.748 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.028 9.555 -16.077 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.344 11.027 -16.807 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.281 9.658 -16.400 1.00 0.00 H new ATOM 372 N VAL A 25 2.086 7.989 -20.602 1.00 0.00 N ATOM 373 CA VAL A 25 2.193 7.227 -21.841 1.00 0.00 C ATOM 374 C VAL A 25 1.667 8.028 -23.026 1.00 0.00 C ATOM 375 O VAL A 25 2.406 8.325 -23.965 1.00 0.00 O ATOM 376 CB VAL A 25 1.421 5.897 -21.751 1.00 0.00 C ATOM 377 CG1 VAL A 25 0.964 5.450 -23.131 1.00 0.00 C ATOM 378 CG2 VAL A 25 2.277 4.827 -21.091 1.00 0.00 C ATOM 0 H VAL A 25 1.573 7.515 -19.858 1.00 0.00 H new ATOM 0 HA VAL A 25 3.251 7.014 -21.991 1.00 0.00 H new ATOM 0 HB VAL A 25 0.536 6.052 -21.134 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.421 4.509 -23.047 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.311 6.209 -23.562 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.833 5.311 -23.775 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.715 3.894 -21.036 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.182 4.671 -21.678 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.548 5.147 -20.085 1.00 0.00 H new ATOM 388 N ALA A 26 0.385 8.375 -22.976 1.00 0.00 N ATOM 389 CA ALA A 26 -0.240 9.145 -24.045 1.00 0.00 C ATOM 390 C ALA A 26 0.408 10.518 -24.184 1.00 0.00 C ATOM 391 O ALA A 26 0.537 11.045 -25.289 1.00 0.00 O ATOM 392 CB ALA A 26 -1.733 9.288 -23.789 1.00 0.00 C ATOM 0 H ALA A 26 -0.241 8.135 -22.207 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.093 8.606 -24.981 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.187 9.865 -24.595 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.191 8.300 -23.748 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.892 9.802 -22.841 1.00 0.00 H new ATOM 398 N VAL A 27 0.814 11.093 -23.057 1.00 0.00 N ATOM 399 CA VAL A 27 1.450 12.405 -23.053 1.00 0.00 C ATOM 400 C VAL A 27 2.608 12.457 -24.043 1.00 0.00 C ATOM 401 O VAL A 27 2.606 13.261 -24.976 1.00 0.00 O ATOM 402 CB VAL A 27 1.971 12.773 -21.651 1.00 0.00 C ATOM 403 CG1 VAL A 27 2.941 13.941 -21.731 1.00 0.00 C ATOM 404 CG2 VAL A 27 0.811 13.095 -20.720 1.00 0.00 C ATOM 0 H VAL A 27 0.714 10.671 -22.134 1.00 0.00 H new ATOM 0 HA VAL A 27 0.689 13.126 -23.350 1.00 0.00 H new ATOM 0 HB VAL A 27 2.507 11.915 -21.244 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.298 14.186 -20.731 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.787 13.669 -22.362 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.434 14.806 -22.158 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.197 13.353 -19.734 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.246 13.937 -21.120 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.158 12.226 -20.638 1.00 0.00 H new ATOM 414 N LEU A 28 3.597 11.595 -23.834 1.00 0.00 N ATOM 415 CA LEU A 28 4.763 11.542 -24.709 1.00 0.00 C ATOM 416 C LEU A 28 4.370 11.093 -26.113 1.00 0.00 C ATOM 417 O LEU A 28 4.960 11.527 -27.103 1.00 0.00 O ATOM 418 CB LEU A 28 5.814 10.592 -24.133 1.00 0.00 C ATOM 419 CG LEU A 28 6.396 10.981 -22.773 1.00 0.00 C ATOM 420 CD1 LEU A 28 6.327 9.807 -21.808 1.00 0.00 C ATOM 421 CD2 LEU A 28 7.831 11.464 -22.925 1.00 0.00 C ATOM 0 H LEU A 28 3.615 10.923 -23.066 1.00 0.00 H new ATOM 0 HA LEU A 28 5.185 12.545 -24.773 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.370 9.600 -24.046 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.633 10.512 -24.847 1.00 0.00 H new ATOM 0 HG LEU A 28 5.800 11.797 -22.364 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.745 10.102 -20.846 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.288 9.506 -21.675 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.898 8.971 -22.211 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.229 11.736 -21.947 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.439 10.668 -23.355 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.855 12.334 -23.581 1.00 0.00 H new ATOM 433 N VAL A 29 3.370 10.221 -26.192 1.00 0.00 N ATOM 434 CA VAL A 29 2.896 9.715 -27.474 1.00 0.00 C ATOM 435 C VAL A 29 2.494 10.857 -28.401 1.00 0.00 C ATOM 436 O VAL A 29 2.921 10.914 -29.555 1.00 0.00 O ATOM 437 CB VAL A 29 1.694 8.768 -27.295 1.00 0.00 C ATOM 438 CG1 VAL A 29 0.985 8.547 -28.622 1.00 0.00 C ATOM 439 CG2 VAL A 29 2.145 7.445 -26.695 1.00 0.00 C ATOM 0 H VAL A 29 2.872 9.850 -25.383 1.00 0.00 H new ATOM 0 HA VAL A 29 3.722 9.161 -27.920 1.00 0.00 H new ATOM 0 HB VAL A 29 0.987 9.232 -26.607 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.139 7.876 -28.475 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.628 9.502 -29.007 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.679 8.105 -29.336 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.284 6.788 -26.575 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.872 6.974 -27.357 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.603 7.624 -25.722 1.00 0.00 H new ATOM 449 N TYR A 30 1.672 11.766 -27.889 1.00 0.00 N ATOM 450 CA TYR A 30 1.210 12.907 -28.671 1.00 0.00 C ATOM 451 C TYR A 30 2.239 14.033 -28.651 1.00 0.00 C ATOM 452 O TYR A 30 2.557 14.620 -29.686 1.00 0.00 O ATOM 453 CB TYR A 30 -0.128 13.414 -28.133 1.00 0.00 C ATOM 454 CG TYR A 30 -0.696 14.575 -28.917 1.00 0.00 C ATOM 455 CD1 TYR A 30 -0.866 14.492 -30.293 1.00 0.00 C ATOM 456 CD2 TYR A 30 -1.061 15.755 -28.282 1.00 0.00 C ATOM 457 CE1 TYR A 30 -1.384 15.550 -31.014 1.00 0.00 C ATOM 458 CE2 TYR A 30 -1.581 16.819 -28.995 1.00 0.00 C ATOM 459 CZ TYR A 30 -1.740 16.711 -30.360 1.00 0.00 C ATOM 460 OH TYR A 30 -2.256 17.769 -31.074 1.00 0.00 O ATOM 0 H TYR A 30 1.312 11.735 -26.935 1.00 0.00 H new ATOM 0 HA TYR A 30 1.077 12.578 -29.702 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.847 12.595 -28.141 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.001 13.716 -27.093 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.588 13.584 -30.808 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.936 15.843 -27.213 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.510 15.469 -32.084 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.861 17.729 -28.486 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.456 18.509 -30.464 1.00 0.00 H new ATOM 470 N LYS A 31 2.758 14.330 -27.464 1.00 0.00 N ATOM 471 CA LYS A 31 3.752 15.384 -27.305 1.00 0.00 C ATOM 472 C LYS A 31 4.958 15.135 -28.206 1.00 0.00 C ATOM 473 O LYS A 31 5.294 15.962 -29.053 1.00 0.00 O ATOM 474 CB LYS A 31 4.203 15.473 -25.845 1.00 0.00 C ATOM 475 CG LYS A 31 5.290 16.506 -25.606 1.00 0.00 C ATOM 476 CD LYS A 31 6.243 16.068 -24.506 1.00 0.00 C ATOM 477 CE LYS A 31 7.019 14.822 -24.905 1.00 0.00 C ATOM 478 NZ LYS A 31 8.436 14.882 -24.452 1.00 0.00 N ATOM 0 H LYS A 31 2.506 13.855 -26.597 1.00 0.00 H new ATOM 0 HA LYS A 31 3.292 16.329 -27.595 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.342 15.713 -25.222 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.565 14.496 -25.525 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.848 16.669 -26.528 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.835 17.459 -25.336 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.940 16.876 -24.283 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.681 15.871 -23.593 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.538 13.942 -24.477 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.989 14.707 -25.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.931 14.015 -24.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.903 15.707 -24.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.466 14.966 -23.416 1.00 0.00 H new ATOM 492 N PHE A 32 5.604 13.989 -28.018 1.00 0.00 N ATOM 493 CA PHE A 32 6.773 13.631 -28.814 1.00 0.00 C ATOM 494 C PHE A 32 6.390 13.420 -30.276 1.00 0.00 C ATOM 495 O PHE A 32 7.232 13.515 -31.169 1.00 0.00 O ATOM 496 CB PHE A 32 7.426 12.364 -28.257 1.00 0.00 C ATOM 497 CG PHE A 32 8.911 12.311 -28.475 1.00 0.00 C ATOM 498 CD1 PHE A 32 9.437 11.728 -29.617 1.00 0.00 C ATOM 499 CD2 PHE A 32 9.782 12.844 -27.538 1.00 0.00 C ATOM 500 CE1 PHE A 32 10.803 11.678 -29.820 1.00 0.00 C ATOM 501 CE2 PHE A 32 11.149 12.797 -27.736 1.00 0.00 C ATOM 502 CZ PHE A 32 11.660 12.212 -28.878 1.00 0.00 C ATOM 0 H PHE A 32 5.338 13.292 -27.322 1.00 0.00 H new ATOM 0 HA PHE A 32 7.487 14.453 -28.759 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.221 12.299 -27.188 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.967 11.493 -28.724 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.772 11.308 -30.357 1.00 0.00 H new ATOM 0 HD2 PHE A 32 9.388 13.301 -26.643 1.00 0.00 H new ATOM 0 HE1 PHE A 32 11.200 11.222 -30.715 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.817 13.217 -26.999 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.728 12.172 -29.034 1.00 0.00 H new ATOM 512 N TYR A 33 5.115 13.132 -30.512 1.00 0.00 N ATOM 513 CA TYR A 33 4.621 12.904 -31.864 1.00 0.00 C ATOM 514 C TYR A 33 5.167 13.953 -32.828 1.00 0.00 C ATOM 515 O TYR A 33 5.707 13.622 -33.884 1.00 0.00 O ATOM 516 CB TYR A 33 3.091 12.927 -31.881 1.00 0.00 C ATOM 517 CG TYR A 33 2.483 11.964 -32.875 1.00 0.00 C ATOM 518 CD1 TYR A 33 2.656 12.144 -34.242 1.00 0.00 C ATOM 519 CD2 TYR A 33 1.733 10.875 -32.448 1.00 0.00 C ATOM 520 CE1 TYR A 33 2.101 11.267 -35.154 1.00 0.00 C ATOM 521 CE2 TYR A 33 1.176 9.992 -33.353 1.00 0.00 C ATOM 522 CZ TYR A 33 1.363 10.192 -34.705 1.00 0.00 C ATOM 523 OH TYR A 33 0.808 9.316 -35.609 1.00 0.00 O ATOM 0 H TYR A 33 4.405 13.051 -29.784 1.00 0.00 H new ATOM 0 HA TYR A 33 4.967 11.923 -32.189 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.721 12.689 -30.884 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.754 13.937 -32.113 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.234 12.984 -34.598 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.583 10.716 -31.390 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.244 11.423 -36.213 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.597 9.150 -33.004 1.00 0.00 H new ATOM 0 HH TYR A 33 0.321 8.615 -35.128 1.00 0.00 H new ATOM 533 N PHE A 34 5.023 15.221 -32.456 1.00 0.00 N ATOM 534 CA PHE A 34 5.501 16.320 -33.286 1.00 0.00 C ATOM 535 C PHE A 34 7.025 16.328 -33.354 1.00 0.00 C ATOM 536 O PHE A 34 7.610 16.555 -34.414 1.00 0.00 O ATOM 537 CB PHE A 34 4.997 17.657 -32.739 1.00 0.00 C ATOM 538 CG PHE A 34 4.506 18.595 -33.805 1.00 0.00 C ATOM 539 CD1 PHE A 34 3.476 18.223 -34.653 1.00 0.00 C ATOM 540 CD2 PHE A 34 5.076 19.848 -33.959 1.00 0.00 C ATOM 541 CE1 PHE A 34 3.021 19.083 -35.634 1.00 0.00 C ATOM 542 CE2 PHE A 34 4.626 20.713 -34.939 1.00 0.00 C ATOM 543 CZ PHE A 34 3.598 20.330 -35.778 1.00 0.00 C ATOM 0 H PHE A 34 4.579 15.512 -31.585 1.00 0.00 H new ATOM 0 HA PHE A 34 5.111 16.177 -34.294 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.189 17.470 -32.031 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.801 18.140 -32.184 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.023 17.249 -34.546 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.881 20.153 -33.306 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.216 18.781 -36.287 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.078 21.688 -35.048 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.246 21.004 -36.545 1.00 0.00 H new ATOM 553 N HIS A 35 7.664 16.077 -32.216 1.00 0.00 N ATOM 554 CA HIS A 35 9.120 16.055 -32.145 1.00 0.00 C ATOM 555 C HIS A 35 9.702 15.138 -33.217 1.00 0.00 C ATOM 556 O HIS A 35 10.760 15.419 -33.781 1.00 0.00 O ATOM 557 CB HIS A 35 9.578 15.595 -30.760 1.00 0.00 C ATOM 558 CG HIS A 35 9.807 16.721 -29.800 1.00 0.00 C ATOM 559 ND1 HIS A 35 9.602 16.606 -28.442 1.00 0.00 N ATOM 560 CD2 HIS A 35 10.230 17.990 -30.009 1.00 0.00 C ATOM 561 CE1 HIS A 35 9.886 17.756 -27.857 1.00 0.00 C ATOM 562 NE2 HIS A 35 10.270 18.612 -28.786 1.00 0.00 N ATOM 0 H HIS A 35 7.196 15.886 -31.330 1.00 0.00 H new ATOM 0 HA HIS A 35 9.483 17.068 -32.321 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.829 14.921 -30.344 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.500 15.023 -30.863 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.488 18.431 -30.961 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.816 17.961 -26.799 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.551 19.579 -28.622 1.00 0.00 H new ATOM 570 N LEU A 36 9.005 14.041 -33.492 1.00 0.00 N ATOM 571 CA LEU A 36 9.453 13.082 -34.496 1.00 0.00 C ATOM 572 C LEU A 36 9.548 13.737 -35.870 1.00 0.00 C ATOM 573 O LEU A 36 10.574 13.641 -36.544 1.00 0.00 O ATOM 574 CB LEU A 36 8.497 11.889 -34.552 1.00 0.00 C ATOM 575 CG LEU A 36 8.522 10.952 -33.344 1.00 0.00 C ATOM 576 CD1 LEU A 36 7.146 10.349 -33.108 1.00 0.00 C ATOM 577 CD2 LEU A 36 9.560 9.856 -33.540 1.00 0.00 C ATOM 0 H LEU A 36 8.128 13.793 -33.034 1.00 0.00 H new ATOM 0 HA LEU A 36 10.445 12.732 -34.212 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.482 12.268 -34.672 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.727 11.306 -35.444 1.00 0.00 H new ATOM 0 HG LEU A 36 8.798 11.533 -32.464 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.183 9.685 -32.244 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.426 11.146 -32.922 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.841 9.783 -33.988 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.564 9.199 -32.670 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.315 9.278 -34.431 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.546 10.306 -33.659 1.00 0.00 H new ATOM 589 N MET A 37 8.474 14.403 -36.278 1.00 0.00 N ATOM 590 CA MET A 37 8.438 15.077 -37.571 1.00 0.00 C ATOM 591 C MET A 37 9.555 16.110 -37.677 1.00 0.00 C ATOM 592 O MET A 37 10.254 16.182 -38.688 1.00 0.00 O ATOM 593 CB MET A 37 7.081 15.752 -37.781 1.00 0.00 C ATOM 594 CG MET A 37 6.047 14.849 -38.434 1.00 0.00 C ATOM 595 SD MET A 37 4.362 15.244 -37.928 1.00 0.00 S ATOM 596 CE MET A 37 4.366 14.645 -36.240 1.00 0.00 C ATOM 0 H MET A 37 7.617 14.491 -35.732 1.00 0.00 H new ATOM 0 HA MET A 37 8.586 14.327 -38.348 1.00 0.00 H new ATOM 0 HB2 MET A 37 6.700 16.090 -36.817 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.218 16.640 -38.399 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.127 14.936 -39.518 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.265 13.811 -38.181 1.00 0.00 H new ATOM 0 HE1 MET A 37 3.625 15.193 -35.658 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.122 13.583 -36.230 1.00 0.00 H new ATOM 0 HE3 MET A 37 5.354 14.794 -35.803 1.00 0.00 H new ATOM 606 N LEU A 38 9.718 16.908 -36.627 1.00 0.00 N ATOM 607 CA LEU A 38 10.751 17.938 -36.602 1.00 0.00 C ATOM 608 C LEU A 38 12.142 17.314 -36.639 1.00 0.00 C ATOM 609 O LEU A 38 13.058 17.851 -37.264 1.00 0.00 O ATOM 610 CB LEU A 38 10.602 18.807 -35.352 1.00 0.00 C ATOM 611 CG LEU A 38 9.637 19.987 -35.467 1.00 0.00 C ATOM 612 CD1 LEU A 38 8.214 19.545 -35.163 1.00 0.00 C ATOM 613 CD2 LEU A 38 10.058 21.113 -34.533 1.00 0.00 C ATOM 0 H LEU A 38 9.148 16.862 -35.782 1.00 0.00 H new ATOM 0 HA LEU A 38 10.629 18.562 -37.487 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.272 18.172 -34.530 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.585 19.192 -35.082 1.00 0.00 H new ATOM 0 HG LEU A 38 9.669 20.359 -36.491 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.542 20.398 -35.250 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.914 18.773 -35.871 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.165 19.147 -34.150 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.360 21.945 -34.628 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.055 20.753 -33.504 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.061 21.449 -34.797 1.00 0.00 H new ATOM 625 N LEU A 39 12.294 16.178 -35.968 1.00 0.00 N ATOM 626 CA LEU A 39 13.574 15.480 -35.925 1.00 0.00 C ATOM 627 C LEU A 39 13.968 14.981 -37.312 1.00 0.00 C ATOM 628 O LEU A 39 15.130 15.068 -37.706 1.00 0.00 O ATOM 629 CB LEU A 39 13.504 14.304 -34.949 1.00 0.00 C ATOM 630 CG LEU A 39 13.807 14.628 -33.485 1.00 0.00 C ATOM 631 CD1 LEU A 39 13.427 13.459 -32.590 1.00 0.00 C ATOM 632 CD2 LEU A 39 15.276 14.981 -33.310 1.00 0.00 C ATOM 0 H LEU A 39 11.547 15.720 -35.446 1.00 0.00 H new ATOM 0 HA LEU A 39 14.332 16.184 -35.582 1.00 0.00 H new ATOM 0 HB2 LEU A 39 12.506 13.870 -35.005 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.204 13.538 -35.283 1.00 0.00 H new ATOM 0 HG LEU A 39 13.210 15.492 -33.193 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.650 13.708 -31.552 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.362 13.253 -32.693 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.997 12.577 -32.882 1.00 0.00 H new ATOM 0 HD21 LEU A 39 15.473 15.209 -32.262 1.00 0.00 H new ATOM 0 HD22 LEU A 39 15.892 14.137 -33.620 1.00 0.00 H new ATOM 0 HD23 LEU A 39 15.517 15.851 -33.922 1.00 0.00 H new ATOM 644 N ALA A 40 12.992 14.459 -38.047 1.00 0.00 N ATOM 645 CA ALA A 40 13.236 13.950 -39.391 1.00 0.00 C ATOM 646 C ALA A 40 13.427 15.092 -40.384 1.00 0.00 C ATOM 647 O ALA A 40 14.402 15.119 -41.134 1.00 0.00 O ATOM 648 CB ALA A 40 12.089 13.052 -39.831 1.00 0.00 C ATOM 0 H ALA A 40 12.025 14.377 -37.734 1.00 0.00 H new ATOM 0 HA ALA A 40 14.155 13.364 -39.370 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.284 12.679 -40.836 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.000 12.211 -39.143 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.160 13.622 -39.829 1.00 0.00 H new ATOM 654 N GLY A 41 12.489 16.034 -40.383 1.00 0.00 N ATOM 655 CA GLY A 41 12.573 17.165 -41.289 1.00 0.00 C ATOM 656 C GLY A 41 13.305 18.344 -40.679 1.00 0.00 C ATOM 657 O GLY A 41 13.047 19.494 -41.034 1.00 0.00 O ATOM 0 H GLY A 41 11.673 16.034 -39.771 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.083 16.858 -42.202 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.567 17.474 -41.574 1.00 0.00 H new ATOM 661 N CYS A 42 14.218 18.058 -39.758 1.00 0.00 N ATOM 662 CA CYS A 42 14.989 19.104 -39.095 1.00 0.00 C ATOM 663 C CYS A 42 15.796 19.909 -40.108 1.00 0.00 C ATOM 664 O CYS A 42 16.057 21.096 -39.905 1.00 0.00 O ATOM 665 CB CYS A 42 15.924 18.493 -38.050 1.00 0.00 C ATOM 666 SG CYS A 42 16.606 19.690 -36.879 1.00 0.00 S ATOM 0 H CYS A 42 14.443 17.111 -39.453 1.00 0.00 H new ATOM 0 HA CYS A 42 14.290 19.776 -38.597 1.00 0.00 H new ATOM 0 HB2 CYS A 42 15.381 17.728 -37.496 1.00 0.00 H new ATOM 0 HB3 CYS A 42 16.746 17.993 -38.562 1.00 0.00 H new ATOM 0 HG CYS A 42 17.382 19.077 -36.035 1.00 0.00 H new ATOM 672 N ILE A 43 16.190 19.257 -41.196 1.00 0.00 N ATOM 673 CA ILE A 43 16.968 19.913 -42.240 1.00 0.00 C ATOM 674 C ILE A 43 16.248 19.851 -43.583 1.00 0.00 C ATOM 675 O ILE A 43 15.892 18.773 -44.060 1.00 0.00 O ATOM 676 CB ILE A 43 18.362 19.276 -42.387 1.00 0.00 C ATOM 677 CG1 ILE A 43 19.045 19.170 -41.022 1.00 0.00 C ATOM 678 CG2 ILE A 43 19.216 20.086 -43.351 1.00 0.00 C ATOM 679 CD1 ILE A 43 20.403 18.506 -41.076 1.00 0.00 C ATOM 0 H ILE A 43 15.983 18.275 -41.378 1.00 0.00 H new ATOM 0 HA ILE A 43 17.084 20.955 -41.941 1.00 0.00 H new ATOM 0 HB ILE A 43 18.245 18.271 -42.793 1.00 0.00 H new ATOM 0 HG12 ILE A 43 19.155 20.169 -40.601 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.401 18.608 -40.345 1.00 0.00 H new ATOM 0 HG21 ILE A 43 20.198 19.623 -43.444 1.00 0.00 H new ATOM 0 HG22 ILE A 43 18.734 20.114 -44.328 1.00 0.00 H new ATOM 0 HG23 ILE A 43 19.328 21.102 -42.972 1.00 0.00 H new ATOM 0 HD11 ILE A 43 20.828 18.465 -40.073 1.00 0.00 H new ATOM 0 HD12 ILE A 43 20.298 17.494 -41.467 1.00 0.00 H new ATOM 0 HD13 ILE A 43 21.063 19.080 -41.727 1.00 0.00 H new ATOM 691 N LYS A 44 16.039 21.014 -44.190 1.00 0.00 N ATOM 692 CA LYS A 44 15.366 21.094 -45.481 1.00 0.00 C ATOM 693 C LYS A 44 16.295 21.667 -46.545 1.00 0.00 C ATOM 694 O LYS A 44 17.288 22.322 -46.228 1.00 0.00 O ATOM 695 CB LYS A 44 14.106 21.956 -45.369 1.00 0.00 C ATOM 696 CG LYS A 44 12.859 21.168 -45.007 1.00 0.00 C ATOM 697 CD LYS A 44 11.599 21.864 -45.494 1.00 0.00 C ATOM 698 CE LYS A 44 11.094 22.877 -44.479 1.00 0.00 C ATOM 699 NZ LYS A 44 10.261 22.236 -43.423 1.00 0.00 N ATOM 0 H LYS A 44 16.326 21.915 -43.808 1.00 0.00 H new ATOM 0 HA LYS A 44 15.083 20.084 -45.779 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.269 22.727 -44.616 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.940 22.467 -46.318 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.917 20.171 -45.444 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.810 21.039 -43.926 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.802 22.366 -46.440 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.824 21.122 -45.686 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.942 23.381 -44.016 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.508 23.642 -44.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.936 22.960 -42.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.438 21.776 -43.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.827 21.524 -42.919 1.00 0.00 H new ATOM 713 N TYR A 45 15.965 21.419 -47.808 1.00 0.00 N ATOM 714 CA TYR A 45 16.771 21.910 -48.919 1.00 0.00 C ATOM 715 C TYR A 45 15.949 21.973 -50.203 1.00 0.00 C ATOM 716 O TYR A 45 14.889 21.357 -50.305 1.00 0.00 O ATOM 717 CB TYR A 45 17.993 21.013 -49.126 1.00 0.00 C ATOM 718 CG TYR A 45 19.154 21.716 -49.793 1.00 0.00 C ATOM 719 CD1 TYR A 45 19.364 21.607 -51.162 1.00 0.00 C ATOM 720 CD2 TYR A 45 20.042 22.489 -49.054 1.00 0.00 C ATOM 721 CE1 TYR A 45 20.424 22.246 -51.775 1.00 0.00 C ATOM 722 CE2 TYR A 45 21.103 23.133 -49.659 1.00 0.00 C ATOM 723 CZ TYR A 45 21.290 23.008 -51.020 1.00 0.00 C ATOM 724 OH TYR A 45 22.347 23.647 -51.626 1.00 0.00 O ATOM 0 H TYR A 45 15.145 20.881 -48.087 1.00 0.00 H new ATOM 0 HA TYR A 45 17.106 22.918 -48.674 1.00 0.00 H new ATOM 0 HB2 TYR A 45 18.319 20.628 -48.160 1.00 0.00 H new ATOM 0 HB3 TYR A 45 17.704 20.153 -49.730 1.00 0.00 H new ATOM 0 HD1 TYR A 45 18.687 21.012 -51.757 1.00 0.00 H new ATOM 0 HD2 TYR A 45 19.900 22.588 -47.988 1.00 0.00 H new ATOM 0 HE1 TYR A 45 20.574 22.149 -52.840 1.00 0.00 H new ATOM 0 HE2 TYR A 45 21.783 23.731 -49.070 1.00 0.00 H new ATOM 0 HH TYR A 45 22.859 24.142 -50.953 1.00 0.00 H new ATOM 734 N GLY A 46 16.448 22.722 -51.181 1.00 0.00 N ATOM 735 CA GLY A 46 15.748 22.852 -52.446 1.00 0.00 C ATOM 736 C GLY A 46 14.840 24.064 -52.484 1.00 0.00 C ATOM 737 O GLY A 46 13.679 23.991 -52.081 1.00 0.00 O ATOM 0 H GLY A 46 17.324 23.241 -51.120 1.00 0.00 H new ATOM 0 HA2 GLY A 46 16.475 22.921 -53.255 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.157 21.954 -52.625 1.00 0.00 H new ATOM 741 N ARG A 47 15.369 25.183 -52.969 1.00 0.00 N ATOM 742 CA ARG A 47 14.598 26.418 -53.055 1.00 0.00 C ATOM 743 C ARG A 47 14.204 26.713 -54.499 1.00 0.00 C ATOM 744 O ARG A 47 14.941 26.394 -55.432 1.00 0.00 O ATOM 745 CB ARG A 47 15.403 27.587 -52.485 1.00 0.00 C ATOM 746 CG ARG A 47 16.733 27.809 -53.184 1.00 0.00 C ATOM 747 CD ARG A 47 17.077 29.288 -53.271 1.00 0.00 C ATOM 748 NE ARG A 47 18.415 29.570 -52.757 1.00 0.00 N ATOM 749 CZ ARG A 47 18.727 29.546 -51.466 1.00 0.00 C ATOM 750 NH1 ARG A 47 17.802 29.255 -50.563 1.00 0.00 N ATOM 751 NH2 ARG A 47 19.967 29.814 -51.077 1.00 0.00 N ATOM 0 H ARG A 47 16.328 25.260 -53.308 1.00 0.00 H new ATOM 0 HA ARG A 47 13.689 26.291 -52.467 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.807 28.497 -52.558 1.00 0.00 H new ATOM 0 HB3 ARG A 47 15.585 27.409 -51.425 1.00 0.00 H new ATOM 0 HG2 ARG A 47 17.521 27.282 -52.645 1.00 0.00 H new ATOM 0 HG3 ARG A 47 16.694 27.384 -54.187 1.00 0.00 H new ATOM 0 HD2 ARG A 47 17.011 29.615 -54.309 1.00 0.00 H new ATOM 0 HD3 ARG A 47 16.343 29.865 -52.708 1.00 0.00 H new ATOM 0 HE ARG A 47 19.150 29.798 -53.426 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.848 29.049 -50.859 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.044 29.237 -49.572 1.00 0.00 H new ATOM 0 HH21 ARG A 47 20.681 30.039 -51.769 1.00 0.00 H new ATOM 0 HH22 ARG A 47 20.206 29.795 -50.086 1.00 0.00 H new ATOM 765 N GLY A 48 13.037 27.325 -54.676 1.00 0.00 N ATOM 766 CA GLY A 48 12.566 27.653 -56.009 1.00 0.00 C ATOM 767 C GLY A 48 12.576 29.145 -56.277 1.00 0.00 C ATOM 768 O GLY A 48 12.433 29.577 -57.420 1.00 0.00 O ATOM 0 H GLY A 48 12.409 27.599 -53.920 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.192 27.150 -56.746 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.553 27.271 -56.137 1.00 0.00 H new TER 772 GLY A 48