USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 407 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -127:sc= -0.913! USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0932 X(o=-0.093,f=-0.11) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -2.18! K(o=-2.2!,f=-0.96) USER MOD Single : A 37 GLN : amide:sc= 0.268 X(o=0.27,f=0.00062) USER MOD Single : A 38 MET CE :methyl -162:sc= -4.58! (180deg=-5.26) USER MOD Single : A 39 CYS SG : rot -20:sc= 0.095 USER MOD Single : A 40 THR OG1 : rot 3:sc= -0.594 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00411 USER MOD Single : A 43 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.8) USER MOD Single : A 46 CYS SG : rot 52:sc= -0.128 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -2.82 K(o=-2.8,f=-1.5) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -159:sc= -6.08 (180deg=-7.48!) USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= -0.031 (180deg=-0.279) USER MOD Single : A 53 TYR OH : rot -161:sc= 0.43 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.929 9.637 -20.046 1.00 0.00 N ATOM 2 CA GLY A 1 2.074 10.522 -19.935 1.00 0.00 C ATOM 3 C GLY A 1 2.403 10.867 -18.497 1.00 0.00 C ATOM 4 O GLY A 1 2.252 12.014 -18.076 1.00 0.00 O ATOM 0 H1 GLY A 1 0.745 9.431 -21.049 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.126 8.749 -19.541 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.094 10.095 -19.628 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.940 10.050 -20.399 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.875 11.439 -20.489 1.00 0.00 H new ATOM 8 N SER A 2 2.851 9.871 -17.739 1.00 0.00 N ATOM 9 CA SER A 2 3.197 10.074 -16.336 1.00 0.00 C ATOM 10 C SER A 2 4.590 9.529 -16.036 1.00 0.00 C ATOM 11 O SER A 2 5.038 8.564 -16.655 1.00 0.00 O ATOM 12 CB SER A 2 2.166 9.397 -15.432 1.00 0.00 C ATOM 13 OG SER A 2 0.920 10.070 -15.485 1.00 0.00 O ATOM 0 H SER A 2 2.983 8.916 -18.072 1.00 0.00 H new ATOM 0 HA SER A 2 3.195 11.146 -16.138 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.035 8.359 -15.738 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.532 9.383 -14.405 1.00 0.00 H new ATOM 0 HG SER A 2 0.278 9.616 -14.900 1.00 0.00 H new ATOM 19 N SER A 3 5.271 10.156 -15.082 1.00 0.00 N ATOM 20 CA SER A 3 6.615 9.738 -14.701 1.00 0.00 C ATOM 21 C SER A 3 7.057 10.433 -13.417 1.00 0.00 C ATOM 22 O SER A 3 6.968 11.654 -13.297 1.00 0.00 O ATOM 23 CB SER A 3 7.605 10.043 -15.827 1.00 0.00 C ATOM 24 OG SER A 3 8.795 9.288 -15.677 1.00 0.00 O ATOM 0 H SER A 3 4.914 10.955 -14.559 1.00 0.00 H new ATOM 0 HA SER A 3 6.598 8.663 -14.523 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.146 9.818 -16.790 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.843 11.107 -15.828 1.00 0.00 H new ATOM 0 HG SER A 3 9.411 9.499 -16.409 1.00 0.00 H new ATOM 30 N GLY A 4 7.534 9.645 -12.458 1.00 0.00 N ATOM 31 CA GLY A 4 7.983 10.201 -11.196 1.00 0.00 C ATOM 32 C GLY A 4 9.269 9.565 -10.706 1.00 0.00 C ATOM 33 O GLY A 4 9.942 8.855 -11.453 1.00 0.00 O ATOM 0 H GLY A 4 7.617 8.631 -12.533 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.132 11.275 -11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.205 10.064 -10.445 1.00 0.00 H new ATOM 37 N SER A 5 9.612 9.821 -9.448 1.00 0.00 N ATOM 38 CA SER A 5 10.829 9.272 -8.861 1.00 0.00 C ATOM 39 C SER A 5 10.498 8.197 -7.830 1.00 0.00 C ATOM 40 O SER A 5 9.439 8.227 -7.204 1.00 0.00 O ATOM 41 CB SER A 5 11.652 10.384 -8.208 1.00 0.00 C ATOM 42 OG SER A 5 12.199 11.253 -9.184 1.00 0.00 O ATOM 0 H SER A 5 9.065 10.405 -8.816 1.00 0.00 H new ATOM 0 HA SER A 5 11.415 8.817 -9.660 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.023 10.952 -7.523 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.455 9.946 -7.615 1.00 0.00 H new ATOM 0 HG SER A 5 12.719 11.956 -8.741 1.00 0.00 H new ATOM 48 N SER A 6 11.413 7.248 -7.659 1.00 0.00 N ATOM 49 CA SER A 6 11.218 6.160 -6.708 1.00 0.00 C ATOM 50 C SER A 6 12.427 6.020 -5.787 1.00 0.00 C ATOM 51 O SER A 6 13.566 6.215 -6.207 1.00 0.00 O ATOM 52 CB SER A 6 10.971 4.844 -7.448 1.00 0.00 C ATOM 53 OG SER A 6 9.607 4.709 -7.808 1.00 0.00 O ATOM 0 H SER A 6 12.297 7.211 -8.167 1.00 0.00 H new ATOM 0 HA SER A 6 10.345 6.395 -6.100 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.592 4.804 -8.343 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.268 4.007 -6.816 1.00 0.00 H new ATOM 0 HG SER A 6 9.476 3.861 -8.281 1.00 0.00 H new ATOM 59 N GLY A 7 12.168 5.681 -4.528 1.00 0.00 N ATOM 60 CA GLY A 7 13.243 5.521 -3.567 1.00 0.00 C ATOM 61 C GLY A 7 12.791 4.818 -2.303 1.00 0.00 C ATOM 62 O GLY A 7 13.013 5.311 -1.197 1.00 0.00 O ATOM 0 H GLY A 7 11.233 5.514 -4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.054 4.954 -4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.645 6.501 -3.310 1.00 0.00 H new ATOM 66 N ASP A 8 12.153 3.664 -2.465 1.00 0.00 N ATOM 67 CA ASP A 8 11.668 2.892 -1.327 1.00 0.00 C ATOM 68 C ASP A 8 12.526 1.650 -1.107 1.00 0.00 C ATOM 69 O ASP A 8 12.301 0.596 -1.701 1.00 0.00 O ATOM 70 CB ASP A 8 10.209 2.486 -1.544 1.00 0.00 C ATOM 71 CG ASP A 8 9.289 3.684 -1.677 1.00 0.00 C ATOM 72 OD1 ASP A 8 9.675 4.782 -1.225 1.00 0.00 O ATOM 73 OD2 ASP A 8 8.183 3.522 -2.234 1.00 0.00 O ATOM 0 H ASP A 8 11.960 3.243 -3.374 1.00 0.00 H new ATOM 0 HA ASP A 8 11.735 3.520 -0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.135 1.873 -2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.878 1.869 -0.709 1.00 0.00 H new ATOM 78 N PRO A 9 13.536 1.777 -0.233 1.00 0.00 N ATOM 79 CA PRO A 9 14.450 0.675 0.086 1.00 0.00 C ATOM 80 C PRO A 9 13.768 -0.431 0.884 1.00 0.00 C ATOM 81 O PRO A 9 14.406 -1.404 1.285 1.00 0.00 O ATOM 82 CB PRO A 9 15.537 1.348 0.927 1.00 0.00 C ATOM 83 CG PRO A 9 14.870 2.538 1.527 1.00 0.00 C ATOM 84 CD PRO A 9 13.864 3.004 0.512 1.00 0.00 C ATOM 0 HA PRO A 9 14.828 0.186 -0.812 1.00 0.00 H new ATOM 0 HB2 PRO A 9 15.915 0.676 1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 9 16.389 1.640 0.313 1.00 0.00 H new ATOM 0 HG2 PRO A 9 14.384 2.280 2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.595 3.322 1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.982 3.433 0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.279 3.772 -0.141 1.00 0.00 H new ATOM 92 N SER A 10 12.467 -0.275 1.110 1.00 0.00 N ATOM 93 CA SER A 10 11.699 -1.260 1.864 1.00 0.00 C ATOM 94 C SER A 10 10.670 -1.946 0.970 1.00 0.00 C ATOM 95 O SER A 10 10.640 -3.172 0.868 1.00 0.00 O ATOM 96 CB SER A 10 10.998 -0.593 3.049 1.00 0.00 C ATOM 97 OG SER A 10 10.293 -1.545 3.826 1.00 0.00 O ATOM 0 H SER A 10 11.923 0.523 0.782 1.00 0.00 H new ATOM 0 HA SER A 10 12.391 -2.015 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.734 -0.084 3.671 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.307 0.168 2.686 1.00 0.00 H new ATOM 0 HG SER A 10 9.855 -1.094 4.578 1.00 0.00 H new ATOM 103 N TRP A 11 9.830 -1.145 0.325 1.00 0.00 N ATOM 104 CA TRP A 11 8.799 -1.674 -0.561 1.00 0.00 C ATOM 105 C TRP A 11 9.286 -1.708 -2.005 1.00 0.00 C ATOM 106 O TRP A 11 10.388 -1.251 -2.310 1.00 0.00 O ATOM 107 CB TRP A 11 7.527 -0.830 -0.458 1.00 0.00 C ATOM 108 CG TRP A 11 6.622 -1.253 0.659 1.00 0.00 C ATOM 109 CD1 TRP A 11 6.988 -1.566 1.937 1.00 0.00 C ATOM 110 CD2 TRP A 11 5.200 -1.411 0.596 1.00 0.00 C ATOM 111 NE1 TRP A 11 5.879 -1.909 2.672 1.00 0.00 N ATOM 112 CE2 TRP A 11 4.770 -1.821 1.873 1.00 0.00 C ATOM 113 CE3 TRP A 11 4.249 -1.245 -0.414 1.00 0.00 C ATOM 114 CZ2 TRP A 11 3.431 -2.067 2.164 1.00 0.00 C ATOM 115 CZ3 TRP A 11 2.920 -1.490 -0.124 1.00 0.00 C ATOM 116 CH2 TRP A 11 2.521 -1.896 1.156 1.00 0.00 C ATOM 0 H TRP A 11 9.842 -0.128 0.399 1.00 0.00 H new ATOM 0 HA TRP A 11 8.576 -2.694 -0.249 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.803 0.215 -0.316 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.982 -0.891 -1.400 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.000 -1.547 2.314 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.881 -2.185 3.654 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.547 -0.931 -1.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.121 -2.381 3.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.176 -1.366 -0.897 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.474 -2.078 1.351 1.00 0.00 H new ATOM 127 N THR A 12 8.459 -2.253 -2.892 1.00 0.00 N ATOM 128 CA THR A 12 8.807 -2.347 -4.304 1.00 0.00 C ATOM 129 C THR A 12 7.730 -1.716 -5.179 1.00 0.00 C ATOM 130 O THR A 12 6.592 -1.537 -4.747 1.00 0.00 O ATOM 131 CB THR A 12 9.011 -3.811 -4.736 1.00 0.00 C ATOM 132 OG1 THR A 12 7.786 -4.539 -4.592 1.00 0.00 O ATOM 133 CG2 THR A 12 10.101 -4.474 -3.907 1.00 0.00 C ATOM 0 H THR A 12 7.543 -2.636 -2.657 1.00 0.00 H new ATOM 0 HA THR A 12 9.743 -1.803 -4.436 1.00 0.00 H new ATOM 0 HB THR A 12 9.318 -3.818 -5.782 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.944 -5.341 -4.051 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.227 -5.507 -4.231 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.039 -3.935 -4.041 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.819 -4.455 -2.854 1.00 0.00 H new ATOM 141 N ALA A 13 8.097 -1.380 -6.411 1.00 0.00 N ATOM 142 CA ALA A 13 7.161 -0.771 -7.348 1.00 0.00 C ATOM 143 C ALA A 13 5.897 -1.613 -7.486 1.00 0.00 C ATOM 144 O ALA A 13 4.788 -1.080 -7.530 1.00 0.00 O ATOM 145 CB ALA A 13 7.821 -0.580 -8.706 1.00 0.00 C ATOM 0 H ALA A 13 9.036 -1.519 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 13 6.876 0.205 -6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.110 -0.124 -9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.690 0.069 -8.600 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.136 -1.548 -9.097 1.00 0.00 H new ATOM 151 N GLN A 14 6.072 -2.928 -7.555 1.00 0.00 N ATOM 152 CA GLN A 14 4.944 -3.843 -7.689 1.00 0.00 C ATOM 153 C GLN A 14 3.999 -3.720 -6.499 1.00 0.00 C ATOM 154 O GLN A 14 2.779 -3.696 -6.663 1.00 0.00 O ATOM 155 CB GLN A 14 5.441 -5.284 -7.814 1.00 0.00 C ATOM 156 CG GLN A 14 5.976 -5.625 -9.196 1.00 0.00 C ATOM 157 CD GLN A 14 6.880 -6.842 -9.187 1.00 0.00 C ATOM 158 OE1 GLN A 14 6.542 -7.877 -8.611 1.00 0.00 O ATOM 159 NE2 GLN A 14 8.037 -6.725 -9.828 1.00 0.00 N ATOM 0 H GLN A 14 6.984 -3.384 -7.520 1.00 0.00 H new ATOM 0 HA GLN A 14 4.397 -3.575 -8.593 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.226 -5.454 -7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.624 -5.964 -7.572 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.139 -5.803 -9.872 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.527 -4.771 -9.589 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.277 -5.849 -10.292 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.686 -7.511 -9.857 1.00 0.00 H new ATOM 168 N GLU A 15 4.570 -3.643 -5.301 1.00 0.00 N ATOM 169 CA GLU A 15 3.777 -3.524 -4.083 1.00 0.00 C ATOM 170 C GLU A 15 2.901 -2.274 -4.124 1.00 0.00 C ATOM 171 O GLU A 15 1.731 -2.312 -3.747 1.00 0.00 O ATOM 172 CB GLU A 15 4.689 -3.481 -2.856 1.00 0.00 C ATOM 173 CG GLU A 15 5.028 -4.854 -2.301 1.00 0.00 C ATOM 174 CD GLU A 15 5.779 -5.716 -3.296 1.00 0.00 C ATOM 175 OE1 GLU A 15 5.268 -5.906 -4.420 1.00 0.00 O ATOM 176 OE2 GLU A 15 6.877 -6.202 -2.953 1.00 0.00 O ATOM 0 H GLU A 15 5.578 -3.661 -5.148 1.00 0.00 H new ATOM 0 HA GLU A 15 3.130 -4.398 -4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.613 -2.966 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.207 -2.892 -2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.629 -4.739 -1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.108 -5.361 -2.008 1.00 0.00 H new ATOM 183 N GLU A 16 3.479 -1.169 -4.584 1.00 0.00 N ATOM 184 CA GLU A 16 2.752 0.092 -4.672 1.00 0.00 C ATOM 185 C GLU A 16 1.489 -0.066 -5.514 1.00 0.00 C ATOM 186 O GLU A 16 0.380 0.177 -5.039 1.00 0.00 O ATOM 187 CB GLU A 16 3.645 1.180 -5.273 1.00 0.00 C ATOM 188 CG GLU A 16 4.860 1.509 -4.421 1.00 0.00 C ATOM 189 CD GLU A 16 5.716 2.605 -5.025 1.00 0.00 C ATOM 190 OE1 GLU A 16 5.154 3.651 -5.410 1.00 0.00 O ATOM 191 OE2 GLU A 16 6.947 2.416 -5.113 1.00 0.00 O ATOM 0 H GLU A 16 4.447 -1.121 -4.901 1.00 0.00 H new ATOM 0 HA GLU A 16 2.462 0.386 -3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.979 0.860 -6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.055 2.085 -5.415 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.531 1.816 -3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.464 0.610 -4.293 1.00 0.00 H new ATOM 198 N MET A 17 1.667 -0.475 -6.766 1.00 0.00 N ATOM 199 CA MET A 17 0.541 -0.667 -7.674 1.00 0.00 C ATOM 200 C MET A 17 -0.442 -1.688 -7.112 1.00 0.00 C ATOM 201 O MET A 17 -1.651 -1.457 -7.098 1.00 0.00 O ATOM 202 CB MET A 17 1.038 -1.122 -9.047 1.00 0.00 C ATOM 203 CG MET A 17 1.854 -0.067 -9.778 1.00 0.00 C ATOM 204 SD MET A 17 0.826 1.075 -10.722 1.00 0.00 S ATOM 205 CE MET A 17 0.728 0.222 -12.294 1.00 0.00 C ATOM 0 H MET A 17 2.579 -0.680 -7.175 1.00 0.00 H new ATOM 0 HA MET A 17 0.025 0.287 -7.780 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.645 -2.019 -8.926 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.181 -1.397 -9.662 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.445 0.495 -9.055 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.557 -0.558 -10.451 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.122 0.806 -12.987 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.730 0.098 -12.704 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.271 -0.757 -12.149 1.00 0.00 H new ATOM 215 N ALA A 18 0.084 -2.818 -6.650 1.00 0.00 N ATOM 216 CA ALA A 18 -0.748 -3.874 -6.086 1.00 0.00 C ATOM 217 C ALA A 18 -1.579 -3.353 -4.918 1.00 0.00 C ATOM 218 O ALA A 18 -2.651 -3.882 -4.621 1.00 0.00 O ATOM 219 CB ALA A 18 0.115 -5.046 -5.643 1.00 0.00 C ATOM 0 H ALA A 18 1.083 -3.026 -6.655 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.434 -4.216 -6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.519 -5.827 -5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.659 -5.442 -6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.824 -4.710 -4.887 1.00 0.00 H new ATOM 225 N LEU A 19 -1.077 -2.315 -4.258 1.00 0.00 N ATOM 226 CA LEU A 19 -1.772 -1.723 -3.120 1.00 0.00 C ATOM 227 C LEU A 19 -2.972 -0.903 -3.583 1.00 0.00 C ATOM 228 O LEU A 19 -4.035 -0.932 -2.960 1.00 0.00 O ATOM 229 CB LEU A 19 -0.816 -0.841 -2.316 1.00 0.00 C ATOM 230 CG LEU A 19 -1.362 -0.286 -1.000 1.00 0.00 C ATOM 231 CD1 LEU A 19 -1.950 -1.404 -0.152 1.00 0.00 C ATOM 232 CD2 LEU A 19 -0.268 0.446 -0.236 1.00 0.00 C ATOM 0 H LEU A 19 -0.191 -1.866 -4.491 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.131 -2.532 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.083 -1.418 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.513 -0.002 -2.943 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.156 0.425 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.334 -0.990 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.762 -1.885 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.176 -2.139 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.674 0.835 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.547 -0.244 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.107 1.272 -0.840 1.00 0.00 H new ATOM 244 N LEU A 20 -2.797 -0.174 -4.679 1.00 0.00 N ATOM 245 CA LEU A 20 -3.866 0.653 -5.227 1.00 0.00 C ATOM 246 C LEU A 20 -4.984 -0.212 -5.802 1.00 0.00 C ATOM 247 O LEU A 20 -6.140 -0.096 -5.398 1.00 0.00 O ATOM 248 CB LEU A 20 -3.316 1.581 -6.312 1.00 0.00 C ATOM 249 CG LEU A 20 -2.466 2.755 -5.823 1.00 0.00 C ATOM 250 CD1 LEU A 20 -1.794 3.452 -6.995 1.00 0.00 C ATOM 251 CD2 LEU A 20 -3.319 3.737 -5.033 1.00 0.00 C ATOM 0 H LEU A 20 -1.924 -0.139 -5.206 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.277 1.255 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.716 0.986 -7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.156 1.979 -6.882 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.689 2.367 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.194 4.284 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.151 2.745 -7.519 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.554 3.827 -7.680 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.699 4.566 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.118 4.119 -5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.753 3.231 -4.171 1.00 0.00 H new ATOM 263 N GLU A 21 -4.629 -1.079 -6.744 1.00 0.00 N ATOM 264 CA GLU A 21 -5.602 -1.965 -7.373 1.00 0.00 C ATOM 265 C GLU A 21 -6.389 -2.742 -6.321 1.00 0.00 C ATOM 266 O GLU A 21 -7.614 -2.837 -6.392 1.00 0.00 O ATOM 267 CB GLU A 21 -4.901 -2.938 -8.323 1.00 0.00 C ATOM 268 CG GLU A 21 -3.839 -3.789 -7.648 1.00 0.00 C ATOM 269 CD GLU A 21 -3.229 -4.813 -8.585 1.00 0.00 C ATOM 270 OE1 GLU A 21 -3.946 -5.755 -8.983 1.00 0.00 O ATOM 271 OE2 GLU A 21 -2.034 -4.672 -8.921 1.00 0.00 O ATOM 0 H GLU A 21 -3.675 -1.187 -7.089 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.299 -1.351 -7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.647 -3.593 -8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.441 -2.373 -9.134 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.052 -3.142 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.279 -4.302 -6.793 1.00 0.00 H new ATOM 278 N ALA A 22 -5.675 -3.297 -5.347 1.00 0.00 N ATOM 279 CA ALA A 22 -6.306 -4.064 -4.280 1.00 0.00 C ATOM 280 C ALA A 22 -7.174 -3.171 -3.400 1.00 0.00 C ATOM 281 O ALA A 22 -8.336 -3.480 -3.139 1.00 0.00 O ATOM 282 CB ALA A 22 -5.249 -4.768 -3.441 1.00 0.00 C ATOM 0 H ALA A 22 -4.660 -3.230 -5.275 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.951 -4.814 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.734 -5.337 -2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.674 -5.444 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.582 -4.027 -3.000 1.00 0.00 H new ATOM 288 N VAL A 23 -6.602 -2.060 -2.945 1.00 0.00 N ATOM 289 CA VAL A 23 -7.324 -1.121 -2.095 1.00 0.00 C ATOM 290 C VAL A 23 -8.612 -0.653 -2.763 1.00 0.00 C ATOM 291 O VAL A 23 -9.584 -0.313 -2.089 1.00 0.00 O ATOM 292 CB VAL A 23 -6.459 0.107 -1.755 1.00 0.00 C ATOM 293 CG1 VAL A 23 -7.330 1.256 -1.271 1.00 0.00 C ATOM 294 CG2 VAL A 23 -5.410 -0.252 -0.714 1.00 0.00 C ATOM 0 H VAL A 23 -5.641 -1.789 -3.151 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.568 -1.651 -1.174 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.944 0.429 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.701 2.115 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.039 1.529 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.874 0.949 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.808 0.628 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.903 -0.600 0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.767 -1.041 -1.103 1.00 0.00 H new ATOM 304 N MET A 24 -8.611 -0.640 -4.092 1.00 0.00 N ATOM 305 CA MET A 24 -9.781 -0.215 -4.851 1.00 0.00 C ATOM 306 C MET A 24 -10.620 -1.416 -5.275 1.00 0.00 C ATOM 307 O MET A 24 -11.827 -1.299 -5.486 1.00 0.00 O ATOM 308 CB MET A 24 -9.353 0.583 -6.084 1.00 0.00 C ATOM 309 CG MET A 24 -8.713 -0.269 -7.168 1.00 0.00 C ATOM 310 SD MET A 24 -8.457 0.638 -8.705 1.00 0.00 S ATOM 311 CE MET A 24 -10.060 0.445 -9.482 1.00 0.00 C ATOM 0 H MET A 24 -7.814 -0.918 -4.665 1.00 0.00 H new ATOM 0 HA MET A 24 -10.389 0.421 -4.208 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.224 1.090 -6.499 1.00 0.00 H new ATOM 0 HB3 MET A 24 -8.649 1.357 -5.779 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.755 -0.646 -6.810 1.00 0.00 H new ATOM 0 HG3 MET A 24 -9.344 -1.136 -7.363 1.00 0.00 H new ATOM 0 HE1 MET A 24 -10.061 0.953 -10.446 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.267 -0.615 -9.630 1.00 0.00 H new ATOM 0 HE3 MET A 24 -10.829 0.879 -8.843 1.00 0.00 H new ATOM 321 N ASP A 25 -9.973 -2.570 -5.398 1.00 0.00 N ATOM 322 CA ASP A 25 -10.660 -3.794 -5.796 1.00 0.00 C ATOM 323 C ASP A 25 -11.462 -4.369 -4.633 1.00 0.00 C ATOM 324 O ASP A 25 -12.496 -5.007 -4.834 1.00 0.00 O ATOM 325 CB ASP A 25 -9.653 -4.829 -6.299 1.00 0.00 C ATOM 326 CG ASP A 25 -9.442 -4.750 -7.798 1.00 0.00 C ATOM 327 OD1 ASP A 25 -10.441 -4.594 -8.530 1.00 0.00 O ATOM 328 OD2 ASP A 25 -8.277 -4.845 -8.240 1.00 0.00 O ATOM 0 H ASP A 25 -8.974 -2.684 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.350 -3.548 -6.603 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.699 -4.680 -5.792 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.001 -5.828 -6.036 1.00 0.00 H new ATOM 333 N CYS A 26 -10.978 -4.141 -3.417 1.00 0.00 N ATOM 334 CA CYS A 26 -11.649 -4.639 -2.221 1.00 0.00 C ATOM 335 C CYS A 26 -12.348 -3.505 -1.478 1.00 0.00 C ATOM 336 O CYS A 26 -13.572 -3.494 -1.351 1.00 0.00 O ATOM 337 CB CYS A 26 -10.643 -5.327 -1.296 1.00 0.00 C ATOM 338 SG CYS A 26 -9.668 -6.621 -2.098 1.00 0.00 S ATOM 0 H CYS A 26 -10.124 -3.615 -3.233 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.401 -5.364 -2.531 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -9.966 -4.575 -0.890 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.179 -5.761 -0.452 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.845 -7.142 -1.236 1.00 0.00 H new ATOM 344 N GLY A 27 -11.562 -2.552 -0.987 1.00 0.00 N ATOM 345 CA GLY A 27 -12.123 -1.428 -0.261 1.00 0.00 C ATOM 346 C GLY A 27 -11.280 -1.030 0.934 1.00 0.00 C ATOM 347 O GLY A 27 -10.551 -1.853 1.490 1.00 0.00 O ATOM 0 H GLY A 27 -10.546 -2.538 -1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.218 -0.576 -0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.128 -1.682 0.076 1.00 0.00 H new ATOM 351 N PHE A 28 -11.378 0.234 1.331 1.00 0.00 N ATOM 352 CA PHE A 28 -10.616 0.740 2.467 1.00 0.00 C ATOM 353 C PHE A 28 -11.047 0.052 3.760 1.00 0.00 C ATOM 354 O PHE A 28 -12.198 -0.357 3.905 1.00 0.00 O ATOM 355 CB PHE A 28 -10.798 2.254 2.597 1.00 0.00 C ATOM 356 CG PHE A 28 -10.013 2.857 3.726 1.00 0.00 C ATOM 357 CD1 PHE A 28 -10.555 2.938 4.999 1.00 0.00 C ATOM 358 CD2 PHE A 28 -8.732 3.342 3.516 1.00 0.00 C ATOM 359 CE1 PHE A 28 -9.835 3.494 6.040 1.00 0.00 C ATOM 360 CE2 PHE A 28 -8.007 3.898 4.553 1.00 0.00 C ATOM 361 CZ PHE A 28 -8.559 3.973 5.817 1.00 0.00 C ATOM 0 H PHE A 28 -11.978 0.927 0.883 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.562 0.521 2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -10.499 2.729 1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.856 2.474 2.742 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.551 2.562 5.180 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.295 3.285 2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.270 3.554 7.027 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -7.010 4.273 4.375 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.994 4.405 6.629 1.00 0.00 H new ATOM 371 N GLY A 29 -10.112 -0.072 4.697 1.00 0.00 N ATOM 372 CA GLY A 29 -10.412 -0.711 5.965 1.00 0.00 C ATOM 373 C GLY A 29 -10.287 -2.220 5.898 1.00 0.00 C ATOM 374 O GLY A 29 -10.030 -2.873 6.908 1.00 0.00 O ATOM 0 H GLY A 29 -9.152 0.259 4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.737 -0.327 6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.424 -0.447 6.271 1.00 0.00 H new ATOM 378 N ASN A 30 -10.472 -2.775 4.704 1.00 0.00 N ATOM 379 CA ASN A 30 -10.381 -4.217 4.510 1.00 0.00 C ATOM 380 C ASN A 30 -8.926 -4.659 4.390 1.00 0.00 C ATOM 381 O ASN A 30 -8.587 -5.489 3.546 1.00 0.00 O ATOM 382 CB ASN A 30 -11.158 -4.634 3.259 1.00 0.00 C ATOM 383 CG ASN A 30 -12.521 -3.974 3.178 1.00 0.00 C ATOM 384 OD1 ASN A 30 -13.209 -3.820 4.187 1.00 0.00 O ATOM 385 ND2 ASN A 30 -12.917 -3.581 1.973 1.00 0.00 N ATOM 0 H ASN A 30 -10.686 -2.248 3.857 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.819 -4.704 5.381 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.579 -4.376 2.372 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.281 -5.717 3.255 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.825 -3.131 1.856 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.313 -3.729 1.164 1.00 0.00 H new ATOM 392 N TRP A 31 -8.072 -4.099 5.238 1.00 0.00 N ATOM 393 CA TRP A 31 -6.653 -4.436 5.228 1.00 0.00 C ATOM 394 C TRP A 31 -6.450 -5.934 5.032 1.00 0.00 C ATOM 395 O TRP A 31 -5.470 -6.362 4.422 1.00 0.00 O ATOM 396 CB TRP A 31 -5.991 -3.986 6.531 1.00 0.00 C ATOM 397 CG TRP A 31 -6.173 -2.525 6.816 1.00 0.00 C ATOM 398 CD1 TRP A 31 -6.684 -1.970 7.954 1.00 0.00 C ATOM 399 CD2 TRP A 31 -5.846 -1.436 5.947 1.00 0.00 C ATOM 400 NE1 TRP A 31 -6.695 -0.600 7.845 1.00 0.00 N ATOM 401 CE2 TRP A 31 -6.185 -0.247 6.623 1.00 0.00 C ATOM 402 CE3 TRP A 31 -5.298 -1.347 4.664 1.00 0.00 C ATOM 403 CZ2 TRP A 31 -5.995 1.011 6.058 1.00 0.00 C ATOM 404 CZ3 TRP A 31 -5.110 -0.098 4.105 1.00 0.00 C ATOM 405 CH2 TRP A 31 -5.457 1.067 4.801 1.00 0.00 C ATOM 0 H TRP A 31 -8.337 -3.409 5.941 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.188 -3.913 4.393 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.403 -4.564 7.358 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -4.925 -4.210 6.485 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.029 -2.526 8.813 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.029 0.049 8.558 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.026 -2.239 4.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.263 1.910 6.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.688 -0.018 3.114 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.297 2.029 4.336 1.00 0.00 H new ATOM 416 N GLN A 32 -7.383 -6.726 5.551 1.00 0.00 N ATOM 417 CA GLN A 32 -7.304 -8.178 5.433 1.00 0.00 C ATOM 418 C GLN A 32 -7.385 -8.609 3.972 1.00 0.00 C ATOM 419 O GLN A 32 -6.462 -9.232 3.447 1.00 0.00 O ATOM 420 CB GLN A 32 -8.428 -8.837 6.235 1.00 0.00 C ATOM 421 CG GLN A 32 -8.549 -10.333 5.995 1.00 0.00 C ATOM 422 CD GLN A 32 -7.686 -11.147 6.939 1.00 0.00 C ATOM 423 OE1 GLN A 32 -8.096 -11.462 8.057 1.00 0.00 O ATOM 424 NE2 GLN A 32 -6.484 -11.494 6.494 1.00 0.00 N ATOM 0 H GLN A 32 -8.202 -6.387 6.057 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.343 -8.500 5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.257 -8.660 7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.374 -8.359 5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -9.591 -10.633 6.111 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.266 -10.556 4.966 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.185 -11.212 5.561 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.860 -12.043 7.085 1.00 0.00 H new ATOM 433 N ASP A 33 -8.494 -8.276 3.322 1.00 0.00 N ATOM 434 CA ASP A 33 -8.696 -8.628 1.922 1.00 0.00 C ATOM 435 C ASP A 33 -7.555 -8.098 1.058 1.00 0.00 C ATOM 436 O ASP A 33 -7.058 -8.793 0.172 1.00 0.00 O ATOM 437 CB ASP A 33 -10.031 -8.075 1.421 1.00 0.00 C ATOM 438 CG ASP A 33 -10.645 -8.939 0.337 1.00 0.00 C ATOM 439 OD1 ASP A 33 -10.119 -10.044 0.090 1.00 0.00 O ATOM 440 OD2 ASP A 33 -11.651 -8.509 -0.266 1.00 0.00 O ATOM 0 H ASP A 33 -9.268 -7.762 3.743 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.711 -9.715 1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.726 -7.998 2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.882 -7.066 1.036 1.00 0.00 H new ATOM 445 N VAL A 34 -7.146 -6.861 1.323 1.00 0.00 N ATOM 446 CA VAL A 34 -6.064 -6.236 0.570 1.00 0.00 C ATOM 447 C VAL A 34 -4.774 -7.039 0.695 1.00 0.00 C ATOM 448 O VAL A 34 -4.023 -7.178 -0.270 1.00 0.00 O ATOM 449 CB VAL A 34 -5.808 -4.795 1.048 1.00 0.00 C ATOM 450 CG1 VAL A 34 -4.633 -4.185 0.299 1.00 0.00 C ATOM 451 CG2 VAL A 34 -7.058 -3.946 0.877 1.00 0.00 C ATOM 0 H VAL A 34 -7.547 -6.272 2.053 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.375 -6.214 -0.474 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.558 -4.822 2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.467 -3.167 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.738 -4.781 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.851 -4.170 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.858 -2.931 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.342 -3.924 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.871 -4.374 1.463 1.00 0.00 H new ATOM 461 N ALA A 35 -4.523 -7.565 1.889 1.00 0.00 N ATOM 462 CA ALA A 35 -3.325 -8.356 2.139 1.00 0.00 C ATOM 463 C ALA A 35 -3.172 -9.464 1.103 1.00 0.00 C ATOM 464 O ALA A 35 -2.096 -10.039 0.949 1.00 0.00 O ATOM 465 CB ALA A 35 -3.364 -8.944 3.542 1.00 0.00 C ATOM 0 H ALA A 35 -5.134 -7.457 2.699 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.461 -7.697 2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.463 -9.532 3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.417 -8.137 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.240 -9.584 3.644 1.00 0.00 H new ATOM 471 N ASN A 36 -4.258 -9.760 0.395 1.00 0.00 N ATOM 472 CA ASN A 36 -4.245 -10.801 -0.626 1.00 0.00 C ATOM 473 C ASN A 36 -3.099 -10.584 -1.609 1.00 0.00 C ATOM 474 O ASN A 36 -2.207 -11.423 -1.733 1.00 0.00 O ATOM 475 CB ASN A 36 -5.578 -10.826 -1.376 1.00 0.00 C ATOM 476 CG ASN A 36 -6.643 -11.612 -0.637 1.00 0.00 C ATOM 477 OD1 ASN A 36 -7.251 -12.528 -1.191 1.00 0.00 O ATOM 478 ND2 ASN A 36 -6.874 -11.257 0.622 1.00 0.00 N ATOM 0 H ASN A 36 -5.158 -9.293 0.510 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.098 -11.760 -0.130 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.925 -9.804 -1.529 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.428 -11.262 -2.363 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.579 -11.750 1.170 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.346 -10.491 1.041 1.00 0.00 H new ATOM 485 N GLN A 37 -3.130 -9.452 -2.305 1.00 0.00 N ATOM 486 CA GLN A 37 -2.094 -9.125 -3.277 1.00 0.00 C ATOM 487 C GLN A 37 -0.913 -8.435 -2.603 1.00 0.00 C ATOM 488 O GLN A 37 0.178 -8.357 -3.168 1.00 0.00 O ATOM 489 CB GLN A 37 -2.663 -8.227 -4.378 1.00 0.00 C ATOM 490 CG GLN A 37 -3.700 -8.917 -5.250 1.00 0.00 C ATOM 491 CD GLN A 37 -3.919 -8.205 -6.570 1.00 0.00 C ATOM 492 OE1 GLN A 37 -3.279 -8.522 -7.573 1.00 0.00 O ATOM 493 NE2 GLN A 37 -4.827 -7.236 -6.577 1.00 0.00 N ATOM 0 H GLN A 37 -3.861 -8.746 -2.214 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.742 -10.056 -3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.113 -7.346 -3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.846 -7.876 -5.008 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.383 -9.942 -5.443 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.645 -8.972 -4.710 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.334 -7.006 -5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.017 -6.721 -7.437 1.00 0.00 H new ATOM 502 N MET A 38 -1.138 -7.936 -1.392 1.00 0.00 N ATOM 503 CA MET A 38 -0.091 -7.254 -0.640 1.00 0.00 C ATOM 504 C MET A 38 0.631 -8.224 0.290 1.00 0.00 C ATOM 505 O MET A 38 1.578 -7.847 0.982 1.00 0.00 O ATOM 506 CB MET A 38 -0.684 -6.099 0.169 1.00 0.00 C ATOM 507 CG MET A 38 -1.408 -5.069 -0.683 1.00 0.00 C ATOM 508 SD MET A 38 -0.343 -4.333 -1.938 1.00 0.00 S ATOM 509 CE MET A 38 1.051 -3.818 -0.938 1.00 0.00 C ATOM 0 H MET A 38 -2.036 -7.991 -0.911 1.00 0.00 H new ATOM 0 HA MET A 38 0.632 -6.856 -1.352 1.00 0.00 H new ATOM 0 HB2 MET A 38 -1.379 -6.502 0.906 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.115 -5.605 0.721 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.262 -5.541 -1.168 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.801 -4.282 -0.039 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.638 -3.079 -1.484 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.689 -3.379 -0.008 1.00 0.00 H new ATOM 0 HE3 MET A 38 1.676 -4.682 -0.712 1.00 0.00 H new ATOM 519 N CYS A 39 0.177 -9.472 0.303 1.00 0.00 N ATOM 520 CA CYS A 39 0.779 -10.496 1.150 1.00 0.00 C ATOM 521 C CYS A 39 2.275 -10.251 1.319 1.00 0.00 C ATOM 522 O CYS A 39 2.860 -10.597 2.346 1.00 0.00 O ATOM 523 CB CYS A 39 0.542 -11.884 0.555 1.00 0.00 C ATOM 524 SG CYS A 39 1.312 -13.229 1.487 1.00 0.00 S ATOM 0 H CYS A 39 -0.606 -9.800 -0.263 1.00 0.00 H new ATOM 0 HA CYS A 39 0.307 -10.444 2.131 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.531 -12.064 0.498 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.923 -11.900 -0.466 1.00 0.00 H new ATOM 0 HG CYS A 39 2.265 -12.751 2.231 1.00 0.00 H new ATOM 530 N THR A 40 2.890 -9.652 0.304 1.00 0.00 N ATOM 531 CA THR A 40 4.318 -9.363 0.339 1.00 0.00 C ATOM 532 C THR A 40 4.713 -8.700 1.653 1.00 0.00 C ATOM 533 O THR A 40 5.893 -8.641 2.001 1.00 0.00 O ATOM 534 CB THR A 40 4.735 -8.450 -0.829 1.00 0.00 C ATOM 535 OG1 THR A 40 3.828 -7.347 -0.937 1.00 0.00 O ATOM 536 CG2 THR A 40 4.759 -9.223 -2.139 1.00 0.00 C ATOM 0 H THR A 40 2.421 -9.358 -0.553 1.00 0.00 H new ATOM 0 HA THR A 40 4.836 -10.318 0.247 1.00 0.00 H new ATOM 0 HB THR A 40 5.739 -8.076 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.166 -7.396 -0.216 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.056 -8.557 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.472 -10.044 -2.064 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.766 -9.623 -2.344 1.00 0.00 H new ATOM 544 N LYS A 41 3.719 -8.203 2.382 1.00 0.00 N ATOM 545 CA LYS A 41 3.962 -7.545 3.660 1.00 0.00 C ATOM 546 C LYS A 41 2.820 -7.814 4.636 1.00 0.00 C ATOM 547 O LYS A 41 1.902 -8.578 4.338 1.00 0.00 O ATOM 548 CB LYS A 41 4.130 -6.038 3.458 1.00 0.00 C ATOM 549 CG LYS A 41 5.193 -5.676 2.435 1.00 0.00 C ATOM 550 CD LYS A 41 6.579 -5.653 3.056 1.00 0.00 C ATOM 551 CE LYS A 41 7.584 -4.956 2.151 1.00 0.00 C ATOM 552 NZ LYS A 41 8.139 -5.879 1.123 1.00 0.00 N ATOM 0 H LYS A 41 2.737 -8.244 2.109 1.00 0.00 H new ATOM 0 HA LYS A 41 4.881 -7.953 4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.176 -5.613 3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.385 -5.578 4.413 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.172 -6.396 1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.969 -4.699 2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.539 -5.143 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.909 -6.674 3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.104 -4.111 1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.398 -4.553 2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.819 -5.366 0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.620 -6.673 1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.366 -6.244 0.531 1.00 0.00 H new ATOM 566 N THR A 42 2.883 -7.180 5.803 1.00 0.00 N ATOM 567 CA THR A 42 1.855 -7.350 6.821 1.00 0.00 C ATOM 568 C THR A 42 0.724 -6.345 6.634 1.00 0.00 C ATOM 569 O THR A 42 0.964 -5.155 6.429 1.00 0.00 O ATOM 570 CB THR A 42 2.437 -7.193 8.239 1.00 0.00 C ATOM 571 OG1 THR A 42 3.203 -5.987 8.323 1.00 0.00 O ATOM 572 CG2 THR A 42 3.314 -8.383 8.598 1.00 0.00 C ATOM 0 H THR A 42 3.636 -6.544 6.066 1.00 0.00 H new ATOM 0 HA THR A 42 1.462 -8.360 6.707 1.00 0.00 H new ATOM 0 HB THR A 42 1.608 -7.146 8.945 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.568 -5.894 9.228 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.714 -8.250 9.603 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.721 -9.297 8.561 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.137 -8.456 7.887 1.00 0.00 H new ATOM 580 N LYS A 43 -0.511 -6.830 6.708 1.00 0.00 N ATOM 581 CA LYS A 43 -1.680 -5.974 6.549 1.00 0.00 C ATOM 582 C LYS A 43 -1.474 -4.636 7.251 1.00 0.00 C ATOM 583 O LYS A 43 -1.936 -3.599 6.776 1.00 0.00 O ATOM 584 CB LYS A 43 -2.925 -6.668 7.107 1.00 0.00 C ATOM 585 CG LYS A 43 -3.077 -6.528 8.612 1.00 0.00 C ATOM 586 CD LYS A 43 -4.440 -7.008 9.082 1.00 0.00 C ATOM 587 CE LYS A 43 -4.379 -7.559 10.498 1.00 0.00 C ATOM 588 NZ LYS A 43 -3.838 -6.559 11.460 1.00 0.00 N ATOM 0 H LYS A 43 -0.728 -7.812 6.877 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.821 -5.788 5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.809 -6.255 6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.886 -7.727 6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.296 -7.101 9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.939 -5.485 8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.151 -6.183 9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.808 -7.779 8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.377 -7.862 10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.755 -8.452 10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.315 -6.667 12.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.816 -6.711 11.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.004 -5.600 11.094 1.00 0.00 H new ATOM 602 N GLU A 44 -0.777 -4.667 8.382 1.00 0.00 N ATOM 603 CA GLU A 44 -0.510 -3.454 9.147 1.00 0.00 C ATOM 604 C GLU A 44 0.365 -2.490 8.352 1.00 0.00 C ATOM 605 O GLU A 44 0.136 -1.281 8.355 1.00 0.00 O ATOM 606 CB GLU A 44 0.170 -3.801 10.474 1.00 0.00 C ATOM 607 CG GLU A 44 -0.763 -4.447 11.485 1.00 0.00 C ATOM 608 CD GLU A 44 -1.643 -3.437 12.195 1.00 0.00 C ATOM 609 OE1 GLU A 44 -2.216 -2.564 11.509 1.00 0.00 O ATOM 610 OE2 GLU A 44 -1.758 -3.518 13.435 1.00 0.00 O ATOM 0 H GLU A 44 -0.387 -5.517 8.789 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.464 -2.967 9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.004 -4.475 10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.588 -2.892 10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.392 -5.178 10.978 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.173 -4.991 12.222 1.00 0.00 H new ATOM 617 N GLU A 45 1.369 -3.035 7.672 1.00 0.00 N ATOM 618 CA GLU A 45 2.279 -2.223 6.873 1.00 0.00 C ATOM 619 C GLU A 45 1.578 -1.684 5.629 1.00 0.00 C ATOM 620 O GLU A 45 1.872 -0.580 5.168 1.00 0.00 O ATOM 621 CB GLU A 45 3.505 -3.043 6.465 1.00 0.00 C ATOM 622 CG GLU A 45 4.627 -3.011 7.489 1.00 0.00 C ATOM 623 CD GLU A 45 5.453 -1.741 7.410 1.00 0.00 C ATOM 624 OE1 GLU A 45 4.894 -0.693 7.025 1.00 0.00 O ATOM 625 OE2 GLU A 45 6.658 -1.797 7.733 1.00 0.00 O ATOM 0 H GLU A 45 1.572 -4.034 7.659 1.00 0.00 H new ATOM 0 HA GLU A 45 2.601 -1.379 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.202 -4.077 6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.882 -2.668 5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.204 -3.103 8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.277 -3.873 7.337 1.00 0.00 H new ATOM 632 N CYS A 46 0.652 -2.470 5.092 1.00 0.00 N ATOM 633 CA CYS A 46 -0.090 -2.072 3.901 1.00 0.00 C ATOM 634 C CYS A 46 -0.941 -0.837 4.178 1.00 0.00 C ATOM 635 O CYS A 46 -1.194 -0.033 3.281 1.00 0.00 O ATOM 636 CB CYS A 46 -0.978 -3.221 3.421 1.00 0.00 C ATOM 637 SG CYS A 46 -0.148 -4.827 3.378 1.00 0.00 S ATOM 0 H CYS A 46 0.397 -3.386 5.462 1.00 0.00 H new ATOM 0 HA CYS A 46 0.629 -1.827 3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.848 -3.291 4.074 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.347 -2.988 2.422 1.00 0.00 H new ATOM 0 HG CYS A 46 0.407 -5.060 4.530 1.00 0.00 H new ATOM 643 N GLU A 47 -1.382 -0.696 5.424 1.00 0.00 N ATOM 644 CA GLU A 47 -2.207 0.440 5.817 1.00 0.00 C ATOM 645 C GLU A 47 -1.358 1.697 5.985 1.00 0.00 C ATOM 646 O GLU A 47 -1.580 2.705 5.314 1.00 0.00 O ATOM 647 CB GLU A 47 -2.948 0.134 7.120 1.00 0.00 C ATOM 648 CG GLU A 47 -3.406 1.376 7.866 1.00 0.00 C ATOM 649 CD GLU A 47 -3.942 1.061 9.250 1.00 0.00 C ATOM 650 OE1 GLU A 47 -5.159 0.811 9.373 1.00 0.00 O ATOM 651 OE2 GLU A 47 -3.142 1.064 10.209 1.00 0.00 O ATOM 0 H GLU A 47 -1.182 -1.354 6.178 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.936 0.618 5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.816 -0.487 6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.297 -0.450 7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.571 2.071 7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.180 1.879 7.286 1.00 0.00 H new ATOM 658 N LYS A 48 -0.385 1.630 6.888 1.00 0.00 N ATOM 659 CA LYS A 48 0.499 2.760 7.146 1.00 0.00 C ATOM 660 C LYS A 48 1.181 3.222 5.862 1.00 0.00 C ATOM 661 O LYS A 48 1.130 4.401 5.509 1.00 0.00 O ATOM 662 CB LYS A 48 1.553 2.382 8.188 1.00 0.00 C ATOM 663 CG LYS A 48 2.874 3.110 8.010 1.00 0.00 C ATOM 664 CD LYS A 48 3.905 2.655 9.030 1.00 0.00 C ATOM 665 CE LYS A 48 3.843 3.495 10.296 1.00 0.00 C ATOM 666 NZ LYS A 48 4.472 2.800 11.454 1.00 0.00 N ATOM 0 H LYS A 48 -0.189 0.804 7.454 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.106 3.581 7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.161 2.596 9.182 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.731 1.308 8.139 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.254 2.934 7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.714 4.184 8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.735 1.607 9.278 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.903 2.722 8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.347 4.446 10.126 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.803 3.723 10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.410 3.405 12.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.975 1.904 11.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.471 2.605 11.241 1.00 0.00 H new ATOM 680 N HIS A 49 1.819 2.286 5.166 1.00 0.00 N ATOM 681 CA HIS A 49 2.509 2.597 3.920 1.00 0.00 C ATOM 682 C HIS A 49 1.590 3.350 2.963 1.00 0.00 C ATOM 683 O HIS A 49 2.013 4.291 2.291 1.00 0.00 O ATOM 684 CB HIS A 49 3.014 1.314 3.258 1.00 0.00 C ATOM 685 CG HIS A 49 3.818 1.557 2.018 1.00 0.00 C ATOM 686 ND1 HIS A 49 5.196 1.613 2.013 1.00 0.00 N ATOM 687 CD2 HIS A 49 3.430 1.756 0.736 1.00 0.00 C ATOM 688 CE1 HIS A 49 5.621 1.839 0.783 1.00 0.00 C ATOM 689 NE2 HIS A 49 4.569 1.929 -0.012 1.00 0.00 N ATOM 0 H HIS A 49 1.872 1.306 5.444 1.00 0.00 H new ATOM 0 HA HIS A 49 3.361 3.235 4.155 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.623 0.761 3.973 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.161 0.683 3.010 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.414 1.775 0.370 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.653 1.934 0.479 1.00 0.00 H new ATOM 0 HE2 HIS A 49 4.598 2.099 -1.017 1.00 0.00 H new ATOM 698 N TYR A 50 0.331 2.928 2.905 1.00 0.00 N ATOM 699 CA TYR A 50 -0.647 3.561 2.028 1.00 0.00 C ATOM 700 C TYR A 50 -0.913 5.000 2.457 1.00 0.00 C ATOM 701 O TYR A 50 -0.752 5.933 1.671 1.00 0.00 O ATOM 702 CB TYR A 50 -1.954 2.766 2.030 1.00 0.00 C ATOM 703 CG TYR A 50 -3.065 3.426 1.246 1.00 0.00 C ATOM 704 CD1 TYR A 50 -3.738 4.531 1.753 1.00 0.00 C ATOM 705 CD2 TYR A 50 -3.443 2.945 -0.002 1.00 0.00 C ATOM 706 CE1 TYR A 50 -4.755 5.137 1.040 1.00 0.00 C ATOM 707 CE2 TYR A 50 -4.457 3.546 -0.722 1.00 0.00 C ATOM 708 CZ TYR A 50 -5.110 4.641 -0.197 1.00 0.00 C ATOM 709 OH TYR A 50 -6.122 5.241 -0.911 1.00 0.00 O ATOM 0 H TYR A 50 -0.036 2.151 3.455 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.238 3.573 1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.767 1.775 1.616 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.282 2.624 3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.462 4.923 2.721 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.935 2.086 -0.416 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.269 5.994 1.449 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.737 3.160 -1.691 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.246 4.770 -1.761 1.00 0.00 H new ATOM 719 N MET A 51 -1.321 5.172 3.710 1.00 0.00 N ATOM 720 CA MET A 51 -1.608 6.498 4.245 1.00 0.00 C ATOM 721 C MET A 51 -0.350 7.359 4.266 1.00 0.00 C ATOM 722 O MET A 51 -0.426 8.588 4.293 1.00 0.00 O ATOM 723 CB MET A 51 -2.188 6.387 5.656 1.00 0.00 C ATOM 724 CG MET A 51 -3.428 5.511 5.737 1.00 0.00 C ATOM 725 SD MET A 51 -4.956 6.455 5.581 1.00 0.00 S ATOM 726 CE MET A 51 -5.208 6.404 3.809 1.00 0.00 C ATOM 0 H MET A 51 -1.460 4.410 4.374 1.00 0.00 H new ATOM 0 HA MET A 51 -2.342 6.974 3.595 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.425 5.985 6.323 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.434 7.385 6.018 1.00 0.00 H new ATOM 0 HG2 MET A 51 -3.388 4.758 4.950 1.00 0.00 H new ATOM 0 HG3 MET A 51 -3.430 4.978 6.688 1.00 0.00 H new ATOM 0 HE1 MET A 51 -5.866 7.221 3.511 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.249 6.508 3.302 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.663 5.453 3.533 1.00 0.00 H new ATOM 736 N LYS A 52 0.808 6.708 4.255 1.00 0.00 N ATOM 737 CA LYS A 52 2.084 7.414 4.272 1.00 0.00 C ATOM 738 C LYS A 52 2.372 8.049 2.915 1.00 0.00 C ATOM 739 O LYS A 52 2.454 9.272 2.796 1.00 0.00 O ATOM 740 CB LYS A 52 3.216 6.456 4.649 1.00 0.00 C ATOM 741 CG LYS A 52 4.441 7.153 5.214 1.00 0.00 C ATOM 742 CD LYS A 52 5.345 7.675 4.109 1.00 0.00 C ATOM 743 CE LYS A 52 6.488 8.507 4.671 1.00 0.00 C ATOM 744 NZ LYS A 52 6.000 9.761 5.308 1.00 0.00 N ATOM 0 H LYS A 52 0.889 5.691 4.234 1.00 0.00 H new ATOM 0 HA LYS A 52 2.023 8.206 5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.845 5.740 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.507 5.886 3.767 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.129 7.980 5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.998 6.459 5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.749 6.837 3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.761 8.279 3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.040 7.918 5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.185 8.754 3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.796 10.419 5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.279 10.201 4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.584 9.540 6.235 1.00 0.00 H new ATOM 758 N TYR A 53 2.525 7.212 1.895 1.00 0.00 N ATOM 759 CA TYR A 53 2.805 7.692 0.547 1.00 0.00 C ATOM 760 C TYR A 53 1.584 8.388 -0.048 1.00 0.00 C ATOM 761 O TYR A 53 1.605 9.592 -0.303 1.00 0.00 O ATOM 762 CB TYR A 53 3.232 6.530 -0.352 1.00 0.00 C ATOM 763 CG TYR A 53 4.609 5.993 -0.033 1.00 0.00 C ATOM 764 CD1 TYR A 53 4.852 5.310 1.153 1.00 0.00 C ATOM 765 CD2 TYR A 53 5.667 6.168 -0.916 1.00 0.00 C ATOM 766 CE1 TYR A 53 6.109 4.818 1.449 1.00 0.00 C ATOM 767 CE2 TYR A 53 6.926 5.678 -0.630 1.00 0.00 C ATOM 768 CZ TYR A 53 7.142 5.004 0.554 1.00 0.00 C ATOM 769 OH TYR A 53 8.395 4.516 0.844 1.00 0.00 O ATOM 0 H TYR A 53 2.460 6.197 1.976 1.00 0.00 H new ATOM 0 HA TYR A 53 3.619 8.414 0.607 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.506 5.723 -0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.211 6.859 -1.391 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.045 5.161 1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.502 6.697 -1.843 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.282 4.291 2.376 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.737 5.822 -1.329 1.00 0.00 H new ATOM 0 HH TYR A 53 9.061 4.976 0.291 1.00 0.00 H new ATOM 779 N PHE A 54 0.521 7.621 -0.265 1.00 0.00 N ATOM 780 CA PHE A 54 -0.709 8.162 -0.830 1.00 0.00 C ATOM 781 C PHE A 54 -1.249 9.299 0.031 1.00 0.00 C ATOM 782 O PHE A 54 -1.234 10.461 -0.375 1.00 0.00 O ATOM 783 CB PHE A 54 -1.764 7.060 -0.959 1.00 0.00 C ATOM 784 CG PHE A 54 -1.320 5.902 -1.807 1.00 0.00 C ATOM 785 CD1 PHE A 54 -0.987 6.090 -3.139 1.00 0.00 C ATOM 786 CD2 PHE A 54 -1.236 4.627 -1.273 1.00 0.00 C ATOM 787 CE1 PHE A 54 -0.579 5.026 -3.922 1.00 0.00 C ATOM 788 CE2 PHE A 54 -0.829 3.559 -2.050 1.00 0.00 C ATOM 789 CZ PHE A 54 -0.499 3.759 -3.376 1.00 0.00 C ATOM 0 H PHE A 54 0.487 6.623 -0.058 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.481 8.556 -1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.020 6.695 0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.672 7.486 -1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.047 7.078 -3.570 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.492 4.465 -0.236 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.323 5.185 -4.959 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.769 2.570 -1.621 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.179 2.927 -3.985 1.00 0.00 H new ATOM 799 N SER A 55 -1.727 8.956 1.223 1.00 0.00 N ATOM 800 CA SER A 55 -2.276 9.947 2.141 1.00 0.00 C ATOM 801 C SER A 55 -1.159 10.704 2.854 1.00 0.00 C ATOM 802 O SER A 55 -1.195 10.885 4.071 1.00 0.00 O ATOM 803 CB SER A 55 -3.187 9.272 3.169 1.00 0.00 C ATOM 804 OG SER A 55 -4.149 10.182 3.673 1.00 0.00 O ATOM 0 H SER A 55 -1.745 7.999 1.576 1.00 0.00 H new ATOM 0 HA SER A 55 -2.861 10.660 1.560 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.692 8.422 2.710 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.587 8.881 3.990 1.00 0.00 H new ATOM 0 HG SER A 55 -4.720 9.726 4.327 1.00 0.00 H new ATOM 810 N GLY A 56 -0.168 11.146 2.086 1.00 0.00 N ATOM 811 CA GLY A 56 0.945 11.879 2.660 1.00 0.00 C ATOM 812 C GLY A 56 1.008 13.313 2.174 1.00 0.00 C ATOM 813 O GLY A 56 0.039 13.854 1.642 1.00 0.00 O ATOM 0 H GLY A 56 -0.116 11.010 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.860 11.870 3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.877 11.373 2.410 1.00 0.00 H new ATOM 817 N PRO A 57 2.173 13.953 2.357 1.00 0.00 N ATOM 818 CA PRO A 57 2.386 15.343 1.941 1.00 0.00 C ATOM 819 C PRO A 57 2.429 15.493 0.424 1.00 0.00 C ATOM 820 O PRO A 57 2.431 14.503 -0.308 1.00 0.00 O ATOM 821 CB PRO A 57 3.745 15.691 2.552 1.00 0.00 C ATOM 822 CG PRO A 57 4.443 14.383 2.694 1.00 0.00 C ATOM 823 CD PRO A 57 3.371 13.370 2.984 1.00 0.00 C ATOM 0 HA PRO A 57 1.577 15.996 2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.305 16.371 1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.630 16.185 3.517 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.984 14.129 1.782 1.00 0.00 H new ATOM 0 HG3 PRO A 57 5.176 14.417 3.500 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.613 12.396 2.559 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.234 13.225 4.056 1.00 0.00 H new ATOM 831 N SER A 58 2.465 16.738 -0.042 1.00 0.00 N ATOM 832 CA SER A 58 2.505 17.017 -1.472 1.00 0.00 C ATOM 833 C SER A 58 3.847 17.625 -1.869 1.00 0.00 C ATOM 834 O SER A 58 4.443 17.239 -2.875 1.00 0.00 O ATOM 835 CB SER A 58 1.368 17.965 -1.860 1.00 0.00 C ATOM 836 OG SER A 58 1.541 18.456 -3.178 1.00 0.00 O ATOM 0 H SER A 58 2.467 17.568 0.550 1.00 0.00 H new ATOM 0 HA SER A 58 2.381 16.074 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.414 17.443 -1.785 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.331 18.799 -1.160 1.00 0.00 H new ATOM 0 HG SER A 58 0.801 19.058 -3.403 1.00 0.00 H new ATOM 842 N SER A 59 4.316 18.580 -1.072 1.00 0.00 N ATOM 843 CA SER A 59 5.585 19.245 -1.341 1.00 0.00 C ATOM 844 C SER A 59 6.723 18.575 -0.577 1.00 0.00 C ATOM 845 O SER A 59 6.573 18.211 0.588 1.00 0.00 O ATOM 846 CB SER A 59 5.501 20.724 -0.959 1.00 0.00 C ATOM 847 OG SER A 59 4.839 21.474 -1.963 1.00 0.00 O ATOM 0 H SER A 59 3.836 18.910 -0.235 1.00 0.00 H new ATOM 0 HA SER A 59 5.790 19.163 -2.408 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.970 20.829 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.505 21.121 -0.807 1.00 0.00 H new ATOM 0 HG SER A 59 4.797 22.415 -1.694 1.00 0.00 H new ATOM 853 N GLY A 60 7.862 18.414 -1.244 1.00 0.00 N ATOM 854 CA GLY A 60 9.009 17.788 -0.614 1.00 0.00 C ATOM 855 C GLY A 60 9.314 16.421 -1.194 1.00 0.00 C ATOM 856 O GLY A 60 9.146 16.196 -2.392 1.00 0.00 O ATOM 0 H GLY A 60 8.010 18.706 -2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.881 18.432 -0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.825 17.693 0.456 1.00 0.00 H new TER 860 GLY A 60