USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 882 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 76 THR OG1 : rot 48:sc= 0.445 USER MOD Set 1.2: A 90 SER OG : rot 78:sc= 0.987 USER MOD Set 2.1: A 74 LYS NZ :NH3+ 177:sc= 0 (180deg=0) USER MOD Set 2.2: A 75 HIS : no HD1:sc= -2.44! C(o=-2.4!,f=-3!) 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= -0.0975 USER MOD Single : A 8 ASN : amide:sc=-0.00981 X(o=-0.0098,f=-0.0098) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= -0.0565 (180deg=-0.344) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.44) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -44:sc= 1.04 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.0183 X(o=-0.018,f=-0.018) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot -11:sc= 0.259 USER MOD Single : A 42 TYR OH : rot 150:sc= -0.323 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= -1.54! (180deg=-1.55!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00226 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.041) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.713 K(o=-0.71,f=-1.9) USER MOD Single : A 86 THR OG1 : rot -138:sc= -0.363 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 160:sc= -0.136 USER MOD Single : A 97 GLN : amide:sc= -1.76! C(o=-1.8!,f=-3.3!) USER MOD Single : A 102 GLN : amide:sc= -0.0348 X(o=-0.035,f=-0.4) USER MOD Single : A 104 MET CE :methyl 178:sc= -1.87 (180deg=-1.93) USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.218 6.318 -0.334 1.00 0.00 N ATOM 2 CA GLY A 1 15.132 5.870 0.519 1.00 0.00 C ATOM 3 C GLY A 1 15.529 5.815 1.981 1.00 0.00 C ATOM 4 O GLY A 1 16.560 5.240 2.330 1.00 0.00 O ATOM 0 H1 GLY A 1 15.897 6.339 -1.323 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.514 7.272 -0.046 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.022 5.664 -0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.281 6.541 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.805 4.881 0.197 1.00 0.00 H new ATOM 8 N SER A 2 14.709 6.415 2.838 1.00 0.00 N ATOM 9 CA SER A 2 14.983 6.437 4.270 1.00 0.00 C ATOM 10 C SER A 2 13.996 5.551 5.025 1.00 0.00 C ATOM 11 O SER A 2 12.801 5.544 4.732 1.00 0.00 O ATOM 12 CB SER A 2 14.911 7.869 4.803 1.00 0.00 C ATOM 13 OG SER A 2 16.107 8.577 4.527 1.00 0.00 O ATOM 0 H SER A 2 13.850 6.892 2.566 1.00 0.00 H new ATOM 0 HA SER A 2 15.989 6.048 4.429 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.066 8.387 4.350 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.735 7.852 5.879 1.00 0.00 H new ATOM 0 HG SER A 2 16.035 9.490 4.876 1.00 0.00 H new ATOM 19 N SER A 3 14.507 4.804 5.999 1.00 0.00 N ATOM 20 CA SER A 3 13.673 3.911 6.794 1.00 0.00 C ATOM 21 C SER A 3 13.586 4.392 8.240 1.00 0.00 C ATOM 22 O SER A 3 14.603 4.662 8.878 1.00 0.00 O ATOM 23 CB SER A 3 14.229 2.486 6.752 1.00 0.00 C ATOM 24 OG SER A 3 15.372 2.360 7.581 1.00 0.00 O ATOM 0 H SER A 3 15.494 4.800 6.256 1.00 0.00 H new ATOM 0 HA SER A 3 12.670 3.915 6.367 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.462 1.783 7.076 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.489 2.224 5.726 1.00 0.00 H new ATOM 0 HG SER A 3 15.707 1.440 7.538 1.00 0.00 H new ATOM 30 N GLY A 4 12.363 4.497 8.750 1.00 0.00 N ATOM 31 CA GLY A 4 12.164 4.945 10.116 1.00 0.00 C ATOM 32 C GLY A 4 11.085 6.004 10.227 1.00 0.00 C ATOM 33 O GLY A 4 11.372 7.200 10.178 1.00 0.00 O ATOM 0 H GLY A 4 11.506 4.280 8.241 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.897 4.092 10.740 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.101 5.343 10.505 1.00 0.00 H new ATOM 37 N SER A 5 9.840 5.564 10.376 1.00 0.00 N ATOM 38 CA SER A 5 8.713 6.483 10.490 1.00 0.00 C ATOM 39 C SER A 5 8.888 7.413 11.686 1.00 0.00 C ATOM 40 O SER A 5 9.511 7.048 12.684 1.00 0.00 O ATOM 41 CB SER A 5 7.404 5.703 10.623 1.00 0.00 C ATOM 42 OG SER A 5 6.308 6.577 10.829 1.00 0.00 O ATOM 0 H SER A 5 9.586 4.577 10.421 1.00 0.00 H new ATOM 0 HA SER A 5 8.677 7.088 9.584 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.237 5.111 9.723 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.477 5.004 11.456 1.00 0.00 H new ATOM 0 HG SER A 5 5.483 6.054 10.909 1.00 0.00 H new ATOM 48 N SER A 6 8.335 8.616 11.578 1.00 0.00 N ATOM 49 CA SER A 6 8.433 9.601 12.649 1.00 0.00 C ATOM 50 C SER A 6 7.289 9.437 13.645 1.00 0.00 C ATOM 51 O SER A 6 7.496 9.475 14.857 1.00 0.00 O ATOM 52 CB SER A 6 8.420 11.018 12.070 1.00 0.00 C ATOM 53 OG SER A 6 7.151 11.335 11.527 1.00 0.00 O ATOM 0 H SER A 6 7.814 8.933 10.760 1.00 0.00 H new ATOM 0 HA SER A 6 9.375 9.438 13.173 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.675 11.735 12.850 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.182 11.105 11.296 1.00 0.00 H new ATOM 0 HG SER A 6 7.168 12.246 11.165 1.00 0.00 H new ATOM 59 N GLY A 7 6.080 9.253 13.123 1.00 0.00 N ATOM 60 CA GLY A 7 4.920 9.085 13.979 1.00 0.00 C ATOM 61 C GLY A 7 4.437 7.649 14.026 1.00 0.00 C ATOM 62 O GLY A 7 3.730 7.195 13.127 1.00 0.00 O ATOM 0 H GLY A 7 5.883 9.217 12.123 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.166 9.415 14.988 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.113 9.725 13.622 1.00 0.00 H new ATOM 66 N ASN A 8 4.820 6.931 15.077 1.00 0.00 N ATOM 67 CA ASN A 8 4.423 5.537 15.236 1.00 0.00 C ATOM 68 C ASN A 8 3.003 5.314 14.724 1.00 0.00 C ATOM 69 O ASN A 8 2.033 5.741 15.349 1.00 0.00 O ATOM 70 CB ASN A 8 4.519 5.122 16.706 1.00 0.00 C ATOM 71 CG ASN A 8 5.950 5.092 17.206 1.00 0.00 C ATOM 72 OD1 ASN A 8 6.755 4.269 16.769 1.00 0.00 O ATOM 73 ND2 ASN A 8 6.274 5.992 18.127 1.00 0.00 N ATOM 0 H ASN A 8 5.405 7.292 15.831 1.00 0.00 H new ATOM 0 HA ASN A 8 5.103 4.922 14.647 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.939 5.815 17.315 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.072 4.136 16.832 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.223 6.020 18.501 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.574 6.655 18.460 1.00 0.00 H new ATOM 80 N ALA A 9 2.890 4.641 13.583 1.00 0.00 N ATOM 81 CA ALA A 9 1.590 4.359 12.989 1.00 0.00 C ATOM 82 C ALA A 9 1.177 2.911 13.233 1.00 0.00 C ATOM 83 O ALA A 9 2.010 2.009 13.319 1.00 0.00 O ATOM 84 CB ALA A 9 1.615 4.658 11.497 1.00 0.00 C ATOM 0 H ALA A 9 3.683 4.281 13.052 1.00 0.00 H new ATOM 0 HA ALA A 9 0.853 5.005 13.466 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.637 4.443 11.066 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.857 5.709 11.341 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.369 4.036 11.014 1.00 0.00 H new ATOM 90 N PRO A 10 -0.139 2.682 13.350 1.00 0.00 N ATOM 91 CA PRO A 10 -0.692 1.345 13.586 1.00 0.00 C ATOM 92 C PRO A 10 -0.541 0.432 12.374 1.00 0.00 C ATOM 93 O PRO A 10 -0.008 0.838 11.342 1.00 0.00 O ATOM 94 CB PRO A 10 -2.172 1.618 13.869 1.00 0.00 C ATOM 95 CG PRO A 10 -2.458 2.907 13.178 1.00 0.00 C ATOM 96 CD PRO A 10 -1.190 3.710 13.258 1.00 0.00 C ATOM 0 HA PRO A 10 -0.177 0.829 14.396 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.803 0.815 13.487 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.363 1.692 14.940 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.748 2.738 12.141 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.284 3.432 13.658 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.058 4.341 12.379 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.185 4.368 14.127 1.00 0.00 H new ATOM 104 N VAL A 11 -1.014 -0.803 12.507 1.00 0.00 N ATOM 105 CA VAL A 11 -0.933 -1.773 11.421 1.00 0.00 C ATOM 106 C VAL A 11 -2.287 -1.958 10.747 1.00 0.00 C ATOM 107 O VAL A 11 -3.280 -2.282 11.400 1.00 0.00 O ATOM 108 CB VAL A 11 -0.432 -3.139 11.926 1.00 0.00 C ATOM 109 CG1 VAL A 11 -0.531 -4.184 10.825 1.00 0.00 C ATOM 110 CG2 VAL A 11 0.995 -3.027 12.440 1.00 0.00 C ATOM 0 H VAL A 11 -1.457 -1.155 13.355 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.221 -1.378 10.696 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.067 -3.456 12.753 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.173 -5.143 11.200 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.570 -4.283 10.510 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.078 -3.876 9.975 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.332 -4.002 12.793 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.646 -2.687 11.635 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.031 -2.312 13.262 1.00 0.00 H new ATOM 120 N THR A 12 -2.322 -1.750 9.434 1.00 0.00 N ATOM 121 CA THR A 12 -3.555 -1.892 8.670 1.00 0.00 C ATOM 122 C THR A 12 -3.912 -3.361 8.471 1.00 0.00 C ATOM 123 O THR A 12 -4.976 -3.815 8.892 1.00 0.00 O ATOM 124 CB THR A 12 -3.444 -1.212 7.293 1.00 0.00 C ATOM 125 OG1 THR A 12 -3.056 0.157 7.452 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.767 -1.285 6.545 1.00 0.00 C ATOM 0 H THR A 12 -1.510 -1.483 8.878 1.00 0.00 H new ATOM 0 HA THR A 12 -4.342 -1.404 9.246 1.00 0.00 H new ATOM 0 HB THR A 12 -2.687 -1.739 6.713 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.986 0.582 6.572 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.664 -0.798 5.575 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.045 -2.329 6.399 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.541 -0.780 7.124 1.00 0.00 H new ATOM 134 N LYS A 13 -3.015 -4.101 7.828 1.00 0.00 N ATOM 135 CA LYS A 13 -3.233 -5.521 7.575 1.00 0.00 C ATOM 136 C LYS A 13 -1.911 -6.281 7.566 1.00 0.00 C ATOM 137 O LYS A 13 -0.854 -5.704 7.318 1.00 0.00 O ATOM 138 CB LYS A 13 -3.956 -5.716 6.240 1.00 0.00 C ATOM 139 CG LYS A 13 -4.477 -7.128 6.032 1.00 0.00 C ATOM 140 CD LYS A 13 -5.330 -7.228 4.779 1.00 0.00 C ATOM 141 CE LYS A 13 -5.868 -8.637 4.581 1.00 0.00 C ATOM 142 NZ LYS A 13 -6.674 -9.091 5.747 1.00 0.00 N ATOM 0 H LYS A 13 -2.129 -3.741 7.472 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.853 -5.918 8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.791 -5.017 6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.274 -5.466 5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.638 -7.819 5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.065 -7.431 6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.161 -6.526 4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.738 -6.938 3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.482 -8.668 3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.037 -9.325 4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.226 -9.931 5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.040 -9.329 6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.320 -8.330 6.040 1.00 0.00 H new ATOM 156 N ALA A 14 -1.980 -7.581 7.837 1.00 0.00 N ATOM 157 CA ALA A 14 -0.789 -8.421 7.856 1.00 0.00 C ATOM 158 C ALA A 14 -1.149 -9.889 7.659 1.00 0.00 C ATOM 159 O ALA A 14 -2.043 -10.414 8.322 1.00 0.00 O ATOM 160 CB ALA A 14 -0.031 -8.232 9.162 1.00 0.00 C ATOM 0 H ALA A 14 -2.848 -8.074 8.046 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.147 -8.118 7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.856 -8.865 9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.268 -7.189 9.261 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.673 -8.507 9.999 1.00 0.00 H new ATOM 166 N GLY A 15 -0.448 -10.548 6.741 1.00 0.00 N ATOM 167 CA GLY A 15 -0.711 -11.950 6.472 1.00 0.00 C ATOM 168 C GLY A 15 0.360 -12.584 5.606 1.00 0.00 C ATOM 169 O GLY A 15 1.146 -11.885 4.968 1.00 0.00 O ATOM 0 H GLY A 15 0.297 -10.136 6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.779 -12.492 7.416 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.678 -12.047 5.978 1.00 0.00 H new ATOM 173 N TRP A 16 0.390 -13.912 5.584 1.00 0.00 N ATOM 174 CA TRP A 16 1.374 -14.640 4.791 1.00 0.00 C ATOM 175 C TRP A 16 1.028 -14.581 3.307 1.00 0.00 C ATOM 176 O TRP A 16 -0.037 -15.037 2.889 1.00 0.00 O ATOM 177 CB TRP A 16 1.453 -16.097 5.251 1.00 0.00 C ATOM 178 CG TRP A 16 2.179 -16.271 6.551 1.00 0.00 C ATOM 179 CD1 TRP A 16 1.619 -16.442 7.785 1.00 0.00 C ATOM 180 CD2 TRP A 16 3.597 -16.288 6.745 1.00 0.00 C ATOM 181 NE1 TRP A 16 2.605 -16.565 8.735 1.00 0.00 N ATOM 182 CE2 TRP A 16 3.827 -16.474 8.122 1.00 0.00 C ATOM 183 CE3 TRP A 16 4.695 -16.166 5.889 1.00 0.00 C ATOM 184 CZ2 TRP A 16 5.109 -16.540 8.660 1.00 0.00 C ATOM 185 CZ3 TRP A 16 5.967 -16.231 6.425 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.166 -16.417 7.799 1.00 0.00 C ATOM 0 H TRP A 16 -0.255 -14.506 6.105 1.00 0.00 H new ATOM 0 HA TRP A 16 2.345 -14.167 4.938 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.443 -16.494 5.351 1.00 0.00 H new ATOM 0 HB3 TRP A 16 1.953 -16.687 4.482 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.558 -16.476 7.985 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.452 -16.702 9.734 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.552 -16.024 4.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.264 -16.683 9.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 6.823 -16.137 5.773 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.173 -16.464 8.187 1.00 0.00 H new ATOM 197 N LEU A 17 1.934 -14.017 2.515 1.00 0.00 N ATOM 198 CA LEU A 17 1.724 -13.899 1.077 1.00 0.00 C ATOM 199 C LEU A 17 2.939 -14.405 0.306 1.00 0.00 C ATOM 200 O LEU A 17 4.037 -14.507 0.854 1.00 0.00 O ATOM 201 CB LEU A 17 1.437 -12.444 0.701 1.00 0.00 C ATOM 202 CG LEU A 17 0.051 -11.916 1.072 1.00 0.00 C ATOM 203 CD1 LEU A 17 0.035 -10.395 1.046 1.00 0.00 C ATOM 204 CD2 LEU A 17 -1.004 -12.479 0.131 1.00 0.00 C ATOM 0 H LEU A 17 2.820 -13.635 2.845 1.00 0.00 H new ATOM 0 HA LEU A 17 0.865 -14.513 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.185 -11.812 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.569 -12.335 -0.375 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.183 -12.244 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.959 -10.037 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.763 -10.011 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.290 -10.045 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.984 -12.092 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.775 -12.182 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.010 -13.567 0.200 1.00 0.00 H new ATOM 216 N PHE A 18 2.736 -14.720 -0.969 1.00 0.00 N ATOM 217 CA PHE A 18 3.815 -15.214 -1.816 1.00 0.00 C ATOM 218 C PHE A 18 4.223 -14.164 -2.846 1.00 0.00 C ATOM 219 O PHE A 18 3.442 -13.807 -3.728 1.00 0.00 O ATOM 220 CB PHE A 18 3.387 -16.501 -2.525 1.00 0.00 C ATOM 221 CG PHE A 18 3.355 -17.701 -1.622 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.505 -17.740 -0.529 1.00 0.00 C ATOM 223 CD2 PHE A 18 4.176 -18.790 -1.867 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.475 -18.842 0.303 1.00 0.00 C ATOM 225 CE2 PHE A 18 4.150 -19.896 -1.038 1.00 0.00 C ATOM 226 CZ PHE A 18 3.297 -19.922 0.048 1.00 0.00 C ATOM 0 H PHE A 18 1.834 -14.642 -1.438 1.00 0.00 H new ATOM 0 HA PHE A 18 4.674 -15.426 -1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.397 -16.356 -2.958 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.071 -16.696 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.858 -16.899 -0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.844 -18.775 -2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.809 -18.859 1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.796 -20.738 -1.239 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.273 -20.785 0.697 1.00 0.00 H new ATOM 236 N LYS A 19 5.451 -13.673 -2.726 1.00 0.00 N ATOM 237 CA LYS A 19 5.966 -12.665 -3.645 1.00 0.00 C ATOM 238 C LYS A 19 6.627 -13.318 -4.855 1.00 0.00 C ATOM 239 O LYS A 19 7.529 -14.142 -4.710 1.00 0.00 O ATOM 240 CB LYS A 19 6.969 -11.757 -2.930 1.00 0.00 C ATOM 241 CG LYS A 19 7.081 -10.372 -3.542 1.00 0.00 C ATOM 242 CD LYS A 19 8.263 -9.605 -2.974 1.00 0.00 C ATOM 243 CE LYS A 19 8.828 -8.621 -3.987 1.00 0.00 C ATOM 244 NZ LYS A 19 9.842 -9.257 -4.872 1.00 0.00 N ATOM 0 H LYS A 19 6.109 -13.957 -2.000 1.00 0.00 H new ATOM 0 HA LYS A 19 5.126 -12.064 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.677 -11.660 -1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.950 -12.232 -2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.188 -10.459 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.162 -9.816 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.953 -9.068 -2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.042 -10.306 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.017 -8.219 -4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.281 -7.779 -3.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.203 -8.554 -5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.628 -9.618 -4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.404 -10.044 -5.392 1.00 0.00 H new ATOM 258 N GLN A 20 6.173 -12.942 -6.046 1.00 0.00 N ATOM 259 CA GLN A 20 6.722 -13.491 -7.280 1.00 0.00 C ATOM 260 C GLN A 20 8.138 -12.979 -7.521 1.00 0.00 C ATOM 261 O GLN A 20 8.361 -11.774 -7.640 1.00 0.00 O ATOM 262 CB GLN A 20 5.827 -13.130 -8.467 1.00 0.00 C ATOM 263 CG GLN A 20 5.929 -14.109 -9.626 1.00 0.00 C ATOM 264 CD GLN A 20 5.029 -13.734 -10.787 1.00 0.00 C ATOM 265 OE1 GLN A 20 4.855 -12.555 -11.097 1.00 0.00 O ATOM 266 NE2 GLN A 20 4.451 -14.738 -11.436 1.00 0.00 N ATOM 0 H GLN A 20 5.427 -12.260 -6.183 1.00 0.00 H new ATOM 0 HA GLN A 20 6.760 -14.576 -7.180 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.791 -13.085 -8.130 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.091 -12.133 -8.820 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.962 -14.152 -9.971 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.668 -15.108 -9.277 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.624 -15.700 -11.145 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.835 -14.547 -12.226 1.00 0.00 H new ATOM 275 N ALA A 21 9.092 -13.901 -7.592 1.00 0.00 N ATOM 276 CA ALA A 21 10.487 -13.542 -7.821 1.00 0.00 C ATOM 277 C ALA A 21 10.635 -12.691 -9.078 1.00 0.00 C ATOM 278 O ALA A 21 9.920 -12.887 -10.060 1.00 0.00 O ATOM 279 CB ALA A 21 11.344 -14.795 -7.925 1.00 0.00 C ATOM 0 H ALA A 21 8.925 -14.902 -7.494 1.00 0.00 H new ATOM 0 HA ALA A 21 10.829 -12.951 -6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.383 -14.512 -8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.271 -15.364 -6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.993 -15.408 -8.756 1.00 0.00 H new ATOM 285 N SER A 22 11.568 -11.745 -9.039 1.00 0.00 N ATOM 286 CA SER A 22 11.807 -10.860 -10.173 1.00 0.00 C ATOM 287 C SER A 22 13.268 -10.918 -10.609 1.00 0.00 C ATOM 288 O SER A 22 14.100 -11.539 -9.947 1.00 0.00 O ATOM 289 CB SER A 22 11.427 -9.422 -9.815 1.00 0.00 C ATOM 290 OG SER A 22 12.352 -8.864 -8.898 1.00 0.00 O ATOM 0 H SER A 22 12.171 -11.572 -8.234 1.00 0.00 H new ATOM 0 HA SER A 22 11.184 -11.197 -11.002 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.395 -8.815 -10.720 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.426 -9.404 -9.384 1.00 0.00 H new ATOM 0 HG SER A 22 12.088 -7.944 -8.686 1.00 0.00 H new ATOM 296 N SER A 23 13.572 -10.268 -11.727 1.00 0.00 N ATOM 297 CA SER A 23 14.931 -10.248 -12.255 1.00 0.00 C ATOM 298 C SER A 23 15.541 -11.646 -12.238 1.00 0.00 C ATOM 299 O SER A 23 16.729 -11.814 -11.970 1.00 0.00 O ATOM 300 CB SER A 23 15.803 -9.289 -11.441 1.00 0.00 C ATOM 301 OG SER A 23 17.130 -9.260 -11.938 1.00 0.00 O ATOM 0 H SER A 23 12.895 -9.748 -12.285 1.00 0.00 H new ATOM 0 HA SER A 23 14.888 -9.902 -13.288 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.376 -8.287 -11.475 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.810 -9.597 -10.395 1.00 0.00 H new ATOM 0 HG SER A 23 17.427 -10.174 -12.131 1.00 0.00 H new ATOM 307 N GLY A 24 14.716 -12.648 -12.528 1.00 0.00 N ATOM 308 CA GLY A 24 15.190 -14.020 -12.541 1.00 0.00 C ATOM 309 C GLY A 24 14.098 -15.008 -12.900 1.00 0.00 C ATOM 310 O GLY A 24 13.069 -14.630 -13.459 1.00 0.00 O ATOM 0 H GLY A 24 13.728 -12.534 -12.754 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.008 -14.112 -13.256 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.594 -14.271 -11.560 1.00 0.00 H new ATOM 314 N VAL A 25 14.322 -16.278 -12.578 1.00 0.00 N ATOM 315 CA VAL A 25 13.350 -17.324 -12.870 1.00 0.00 C ATOM 316 C VAL A 25 11.966 -16.948 -12.351 1.00 0.00 C ATOM 317 O VAL A 25 11.829 -16.075 -11.494 1.00 0.00 O ATOM 318 CB VAL A 25 13.770 -18.670 -12.252 1.00 0.00 C ATOM 319 CG1 VAL A 25 13.298 -18.767 -10.810 1.00 0.00 C ATOM 320 CG2 VAL A 25 13.229 -19.827 -13.078 1.00 0.00 C ATOM 0 H VAL A 25 15.169 -16.607 -12.114 1.00 0.00 H new ATOM 0 HA VAL A 25 13.313 -17.427 -13.954 1.00 0.00 H new ATOM 0 HB VAL A 25 14.858 -18.728 -12.257 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.604 -19.725 -10.391 1.00 0.00 H new ATOM 0 HG12 VAL A 25 13.739 -17.958 -10.228 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.211 -18.687 -10.777 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.535 -20.771 -12.627 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.141 -19.775 -13.108 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.623 -19.765 -14.093 1.00 0.00 H new ATOM 330 N LYS A 26 10.943 -17.615 -12.873 1.00 0.00 N ATOM 331 CA LYS A 26 9.569 -17.354 -12.462 1.00 0.00 C ATOM 332 C LYS A 26 9.143 -18.309 -11.351 1.00 0.00 C ATOM 333 O LYS A 26 8.530 -19.343 -11.611 1.00 0.00 O ATOM 334 CB LYS A 26 8.622 -17.491 -13.657 1.00 0.00 C ATOM 335 CG LYS A 26 8.437 -16.201 -14.437 1.00 0.00 C ATOM 336 CD LYS A 26 7.281 -16.304 -15.418 1.00 0.00 C ATOM 337 CE LYS A 26 6.997 -14.968 -16.087 1.00 0.00 C ATOM 338 NZ LYS A 26 5.737 -15.002 -16.880 1.00 0.00 N ATOM 0 H LYS A 26 11.040 -18.341 -13.583 1.00 0.00 H new ATOM 0 HA LYS A 26 9.518 -16.334 -12.081 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.006 -18.260 -14.328 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.650 -17.834 -13.302 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.256 -15.379 -13.745 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.354 -15.967 -14.977 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.513 -17.051 -16.178 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.388 -16.647 -14.895 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.927 -14.189 -15.328 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.830 -14.704 -16.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.579 -14.073 -17.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.813 -15.728 -17.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.939 -15.229 -16.253 1.00 0.00 H new ATOM 352 N GLN A 27 9.472 -17.953 -10.113 1.00 0.00 N ATOM 353 CA GLN A 27 9.122 -18.778 -8.963 1.00 0.00 C ATOM 354 C GLN A 27 8.359 -17.966 -7.922 1.00 0.00 C ATOM 355 O GLN A 27 8.297 -16.739 -8.002 1.00 0.00 O ATOM 356 CB GLN A 27 10.383 -19.377 -8.336 1.00 0.00 C ATOM 357 CG GLN A 27 11.379 -18.333 -7.857 1.00 0.00 C ATOM 358 CD GLN A 27 12.359 -18.884 -6.841 1.00 0.00 C ATOM 359 OE1 GLN A 27 12.054 -18.973 -5.652 1.00 0.00 O ATOM 360 NE2 GLN A 27 13.546 -19.259 -7.306 1.00 0.00 N ATOM 0 H GLN A 27 9.980 -17.099 -9.881 1.00 0.00 H new ATOM 0 HA GLN A 27 8.478 -19.586 -9.310 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.096 -20.007 -7.494 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.870 -20.024 -9.066 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.930 -17.943 -8.713 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.838 -17.495 -7.417 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.756 -19.168 -8.300 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.247 -19.638 -6.669 1.00 0.00 H new ATOM 369 N TRP A 28 7.780 -18.658 -6.948 1.00 0.00 N ATOM 370 CA TRP A 28 7.020 -18.000 -5.891 1.00 0.00 C ATOM 371 C TRP A 28 7.554 -18.385 -4.516 1.00 0.00 C ATOM 372 O TRP A 28 7.738 -19.565 -4.219 1.00 0.00 O ATOM 373 CB TRP A 28 5.538 -18.366 -5.997 1.00 0.00 C ATOM 374 CG TRP A 28 4.863 -17.768 -7.194 1.00 0.00 C ATOM 375 CD1 TRP A 28 4.992 -18.168 -8.493 1.00 0.00 C ATOM 376 CD2 TRP A 28 3.954 -16.662 -7.201 1.00 0.00 C ATOM 377 NE1 TRP A 28 4.219 -17.377 -9.308 1.00 0.00 N ATOM 378 CE2 TRP A 28 3.572 -16.446 -8.540 1.00 0.00 C ATOM 379 CE3 TRP A 28 3.425 -15.833 -6.208 1.00 0.00 C ATOM 380 CZ2 TRP A 28 2.687 -15.436 -8.907 1.00 0.00 C ATOM 381 CZ3 TRP A 28 2.547 -14.831 -6.574 1.00 0.00 C ATOM 382 CH2 TRP A 28 2.184 -14.640 -7.914 1.00 0.00 C ATOM 0 H TRP A 28 7.822 -19.674 -6.868 1.00 0.00 H new ATOM 0 HA TRP A 28 7.131 -16.923 -6.014 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.441 -19.451 -6.038 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.024 -18.034 -5.095 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.611 -18.986 -8.830 1.00 0.00 H new ATOM 0 HE1 TRP A 28 4.140 -17.468 -10.321 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.698 -15.973 -5.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.407 -15.286 -9.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.133 -14.184 -5.815 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.494 -13.849 -8.168 1.00 0.00 H new ATOM 393 N ASN A 29 7.802 -17.382 -3.680 1.00 0.00 N ATOM 394 CA ASN A 29 8.316 -17.616 -2.335 1.00 0.00 C ATOM 395 C ASN A 29 7.383 -17.022 -1.285 1.00 0.00 C ATOM 396 O ASN A 29 6.802 -15.955 -1.486 1.00 0.00 O ATOM 397 CB ASN A 29 9.715 -17.015 -2.190 1.00 0.00 C ATOM 398 CG ASN A 29 9.805 -15.614 -2.762 1.00 0.00 C ATOM 399 OD1 ASN A 29 9.436 -14.639 -2.107 1.00 0.00 O ATOM 400 ND2 ASN A 29 10.296 -15.507 -3.991 1.00 0.00 N ATOM 0 H ASN A 29 7.655 -16.399 -3.910 1.00 0.00 H new ATOM 0 HA ASN A 29 8.373 -18.693 -2.177 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.990 -16.992 -1.136 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.437 -17.657 -2.694 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.379 -14.590 -4.429 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.590 -16.342 -4.497 1.00 0.00 H new ATOM 407 N LYS A 30 7.243 -17.719 -0.163 1.00 0.00 N ATOM 408 CA LYS A 30 6.383 -17.261 0.922 1.00 0.00 C ATOM 409 C LYS A 30 7.123 -16.281 1.826 1.00 0.00 C ATOM 410 O LYS A 30 8.315 -16.441 2.086 1.00 0.00 O ATOM 411 CB LYS A 30 5.884 -18.453 1.743 1.00 0.00 C ATOM 412 CG LYS A 30 4.800 -18.091 2.743 1.00 0.00 C ATOM 413 CD LYS A 30 4.123 -19.330 3.305 1.00 0.00 C ATOM 414 CE LYS A 30 3.446 -19.041 4.635 1.00 0.00 C ATOM 415 NZ LYS A 30 3.318 -20.267 5.471 1.00 0.00 N ATOM 0 H LYS A 30 7.715 -18.605 0.019 1.00 0.00 H new ATOM 0 HA LYS A 30 5.528 -16.747 0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.501 -19.216 1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.726 -18.894 2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.234 -17.511 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.057 -17.456 2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.385 -19.697 2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.861 -20.121 3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.019 -18.289 5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.457 -18.619 4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.851 -20.028 6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.750 -20.975 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.263 -20.655 5.665 1.00 0.00 H new ATOM 429 N ARG A 31 6.407 -15.268 2.304 1.00 0.00 N ATOM 430 CA ARG A 31 6.996 -14.262 3.179 1.00 0.00 C ATOM 431 C ARG A 31 5.914 -13.507 3.946 1.00 0.00 C ATOM 432 O ARG A 31 4.784 -13.376 3.476 1.00 0.00 O ATOM 433 CB ARG A 31 7.841 -13.279 2.366 1.00 0.00 C ATOM 434 CG ARG A 31 9.010 -12.694 3.142 1.00 0.00 C ATOM 435 CD ARG A 31 10.260 -13.545 2.991 1.00 0.00 C ATOM 436 NE ARG A 31 10.744 -13.568 1.613 1.00 0.00 N ATOM 437 CZ ARG A 31 11.919 -14.075 1.255 1.00 0.00 C ATOM 438 NH1 ARG A 31 12.725 -14.599 2.168 1.00 0.00 N ATOM 439 NH2 ARG A 31 12.289 -14.058 -0.019 1.00 0.00 N ATOM 0 H ARG A 31 5.418 -15.123 2.100 1.00 0.00 H new ATOM 0 HA ARG A 31 7.637 -14.773 3.898 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.222 -13.787 1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.203 -12.466 2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.212 -11.683 2.790 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.746 -12.617 4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.043 -13.158 3.644 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.047 -14.563 3.317 1.00 0.00 H new ATOM 0 HE ARG A 31 10.147 -13.173 0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.444 -14.614 3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.626 -14.987 1.890 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.671 -13.656 -0.724 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.191 -14.447 -0.293 1.00 0.00 H new ATOM 453 N TRP A 32 6.268 -13.014 5.127 1.00 0.00 N ATOM 454 CA TRP A 32 5.327 -12.272 5.958 1.00 0.00 C ATOM 455 C TRP A 32 5.171 -10.840 5.460 1.00 0.00 C ATOM 456 O TRP A 32 6.148 -10.097 5.361 1.00 0.00 O ATOM 457 CB TRP A 32 5.794 -12.270 7.415 1.00 0.00 C ATOM 458 CG TRP A 32 4.767 -11.735 8.367 1.00 0.00 C ATOM 459 CD1 TRP A 32 4.922 -10.696 9.240 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.429 -12.213 8.542 1.00 0.00 C ATOM 461 NE1 TRP A 32 3.761 -10.500 9.948 1.00 0.00 N ATOM 462 CE2 TRP A 32 2.830 -11.416 9.538 1.00 0.00 C ATOM 463 CE3 TRP A 32 2.678 -13.234 7.954 1.00 0.00 C ATOM 464 CZ2 TRP A 32 1.516 -11.612 9.956 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.375 -13.427 8.371 1.00 0.00 C ATOM 466 CH2 TRP A 32 0.805 -12.620 9.363 1.00 0.00 C ATOM 0 H TRP A 32 7.199 -13.114 5.531 1.00 0.00 H new ATOM 0 HA TRP A 32 4.357 -12.766 5.894 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.055 -13.287 7.707 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.702 -11.672 7.497 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.824 -10.114 9.357 1.00 0.00 H new ATOM 0 HE1 TRP A 32 3.616 -9.787 10.663 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.108 -13.861 7.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.074 -10.991 10.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.786 -14.214 7.924 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.216 -12.796 9.666 1.00 0.00 H new ATOM 477 N PHE A 33 3.937 -10.458 5.146 1.00 0.00 N ATOM 478 CA PHE A 33 3.654 -9.114 4.657 1.00 0.00 C ATOM 479 C PHE A 33 2.795 -8.342 5.654 1.00 0.00 C ATOM 480 O PHE A 33 1.894 -8.902 6.279 1.00 0.00 O ATOM 481 CB PHE A 33 2.947 -9.180 3.302 1.00 0.00 C ATOM 482 CG PHE A 33 3.886 -9.366 2.144 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.249 -10.636 1.726 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.406 -8.270 1.474 1.00 0.00 C ATOM 485 CE1 PHE A 33 5.113 -10.810 0.661 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.270 -8.438 0.409 1.00 0.00 C ATOM 487 CZ PHE A 33 5.625 -9.710 0.002 1.00 0.00 C ATOM 0 H PHE A 33 3.117 -11.060 5.222 1.00 0.00 H new ATOM 0 HA PHE A 33 4.603 -8.590 4.539 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.231 -10.002 3.314 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.377 -8.263 3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.852 -11.500 2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.133 -7.273 1.788 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.387 -11.806 0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.668 -7.576 -0.105 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.301 -9.843 -0.829 1.00 0.00 H new ATOM 497 N VAL A 34 3.081 -7.052 5.799 1.00 0.00 N ATOM 498 CA VAL A 34 2.336 -6.202 6.719 1.00 0.00 C ATOM 499 C VAL A 34 2.084 -4.825 6.114 1.00 0.00 C ATOM 500 O VAL A 34 2.995 -4.003 6.011 1.00 0.00 O ATOM 501 CB VAL A 34 3.081 -6.034 8.056 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.318 -5.095 8.978 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.297 -7.386 8.719 1.00 0.00 C ATOM 0 H VAL A 34 3.824 -6.573 5.290 1.00 0.00 H new ATOM 0 HA VAL A 34 1.382 -6.695 6.903 1.00 0.00 H new ATOM 0 HB VAL A 34 4.057 -5.593 7.855 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.860 -4.988 9.918 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.220 -4.119 8.503 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.327 -5.504 9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.825 -7.248 9.663 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.332 -7.857 8.908 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.889 -8.023 8.062 1.00 0.00 H new ATOM 513 N LEU A 35 0.841 -4.580 5.714 1.00 0.00 N ATOM 514 CA LEU A 35 0.467 -3.302 5.118 1.00 0.00 C ATOM 515 C LEU A 35 0.559 -2.176 6.143 1.00 0.00 C ATOM 516 O LEU A 35 -0.184 -2.152 7.124 1.00 0.00 O ATOM 517 CB LEU A 35 -0.952 -3.376 4.552 1.00 0.00 C ATOM 518 CG LEU A 35 -1.572 -2.047 4.119 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.725 -1.388 3.042 1.00 0.00 C ATOM 520 CD2 LEU A 35 -2.996 -2.259 3.625 1.00 0.00 C ATOM 0 H LEU A 35 0.075 -5.249 5.792 1.00 0.00 H new ATOM 0 HA LEU A 35 1.164 -3.090 4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.945 -4.047 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.599 -3.828 5.304 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.603 -1.384 4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.182 -0.444 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.276 -1.201 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.661 -2.047 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.422 -1.303 3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.988 -2.940 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.599 -2.686 4.426 1.00 0.00 H new ATOM 532 N VAL A 36 1.476 -1.242 5.908 1.00 0.00 N ATOM 533 CA VAL A 36 1.663 -0.111 6.809 1.00 0.00 C ATOM 534 C VAL A 36 1.078 1.166 6.217 1.00 0.00 C ATOM 535 O VAL A 36 0.439 1.139 5.165 1.00 0.00 O ATOM 536 CB VAL A 36 3.154 0.117 7.121 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.777 1.055 6.098 1.00 0.00 C ATOM 538 CG2 VAL A 36 3.326 0.663 8.531 1.00 0.00 C ATOM 0 H VAL A 36 2.101 -1.247 5.102 1.00 0.00 H new ATOM 0 HA VAL A 36 1.139 -0.353 7.733 1.00 0.00 H new ATOM 0 HB VAL A 36 3.670 -0.841 7.061 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.830 1.204 6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.687 0.620 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.260 2.015 6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.386 0.818 8.734 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.797 1.612 8.621 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.919 -0.049 9.249 1.00 0.00 H new ATOM 548 N ASP A 37 1.301 2.284 6.899 1.00 0.00 N ATOM 549 CA ASP A 37 0.797 3.573 6.439 1.00 0.00 C ATOM 550 C ASP A 37 1.234 3.847 5.004 1.00 0.00 C ATOM 551 O ASP A 37 2.427 3.936 4.714 1.00 0.00 O ATOM 552 CB ASP A 37 1.288 4.693 7.358 1.00 0.00 C ATOM 553 CG ASP A 37 0.363 4.922 8.537 1.00 0.00 C ATOM 554 OD1 ASP A 37 -0.306 3.957 8.963 1.00 0.00 O ATOM 555 OD2 ASP A 37 0.310 6.066 9.035 1.00 0.00 O ATOM 0 H ASP A 37 1.827 2.324 7.772 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.292 3.541 6.467 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.285 4.448 7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.377 5.616 6.785 1.00 0.00 H new ATOM 560 N ARG A 38 0.260 3.979 4.109 1.00 0.00 N ATOM 561 CA ARG A 38 0.545 4.240 2.703 1.00 0.00 C ATOM 562 C ARG A 38 1.829 3.540 2.269 1.00 0.00 C ATOM 563 O ARG A 38 2.640 4.108 1.536 1.00 0.00 O ATOM 564 CB ARG A 38 0.663 5.745 2.456 1.00 0.00 C ATOM 565 CG ARG A 38 -0.668 6.478 2.513 1.00 0.00 C ATOM 566 CD ARG A 38 -0.671 7.698 1.606 1.00 0.00 C ATOM 567 NE ARG A 38 -0.204 8.896 2.297 1.00 0.00 N ATOM 568 CZ ARG A 38 -0.904 9.524 3.235 1.00 0.00 C ATOM 569 NH1 ARG A 38 -2.097 9.069 3.593 1.00 0.00 N ATOM 570 NH2 ARG A 38 -0.411 10.609 3.819 1.00 0.00 N ATOM 0 H ARG A 38 -0.733 3.910 4.332 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.281 3.845 2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.337 6.175 3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.117 5.910 1.479 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.470 5.802 2.218 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.872 6.785 3.539 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.036 7.508 0.741 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.680 7.867 1.229 1.00 0.00 H new ATOM 0 HE ARG A 38 0.710 9.272 2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.479 8.235 3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.632 9.553 4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.507 10.962 3.548 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.950 11.090 4.539 1.00 0.00 H new ATOM 584 N CYS A 39 2.008 2.306 2.726 1.00 0.00 N ATOM 585 CA CYS A 39 3.194 1.529 2.386 1.00 0.00 C ATOM 586 C CYS A 39 3.057 0.088 2.868 1.00 0.00 C ATOM 587 O CYS A 39 2.201 -0.222 3.697 1.00 0.00 O ATOM 588 CB CYS A 39 4.441 2.168 3.000 1.00 0.00 C ATOM 589 SG CYS A 39 5.948 1.926 2.030 1.00 0.00 S ATOM 0 H CYS A 39 1.347 1.822 3.333 1.00 0.00 H new ATOM 0 HA CYS A 39 3.295 1.522 1.301 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.267 3.237 3.120 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.594 1.756 3.998 1.00 0.00 H new ATOM 0 HG CYS A 39 5.728 1.045 1.099 1.00 0.00 H new ATOM 595 N LEU A 40 3.904 -0.789 2.341 1.00 0.00 N ATOM 596 CA LEU A 40 3.877 -2.199 2.716 1.00 0.00 C ATOM 597 C LEU A 40 5.286 -2.719 2.979 1.00 0.00 C ATOM 598 O LEU A 40 6.226 -2.394 2.253 1.00 0.00 O ATOM 599 CB LEU A 40 3.212 -3.027 1.615 1.00 0.00 C ATOM 600 CG LEU A 40 3.297 -4.545 1.773 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.546 -4.994 3.017 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.748 -5.242 0.536 1.00 0.00 C ATOM 0 H LEU A 40 4.618 -0.549 1.653 1.00 0.00 H new ATOM 0 HA LEU A 40 3.297 -2.295 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.160 -2.746 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.663 -2.755 0.661 1.00 0.00 H new ATOM 0 HG LEU A 40 4.345 -4.821 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.617 -6.077 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.984 -4.522 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.498 -4.705 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.817 -6.322 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.705 -4.959 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.329 -4.944 -0.337 1.00 0.00 H new ATOM 614 N PHE A 41 5.426 -3.532 4.021 1.00 0.00 N ATOM 615 CA PHE A 41 6.721 -4.100 4.380 1.00 0.00 C ATOM 616 C PHE A 41 6.626 -5.615 4.537 1.00 0.00 C ATOM 617 O PHE A 41 5.567 -6.150 4.865 1.00 0.00 O ATOM 618 CB PHE A 41 7.234 -3.472 5.677 1.00 0.00 C ATOM 619 CG PHE A 41 7.680 -2.047 5.518 1.00 0.00 C ATOM 620 CD1 PHE A 41 8.877 -1.748 4.888 1.00 0.00 C ATOM 621 CD2 PHE A 41 6.903 -1.006 5.999 1.00 0.00 C ATOM 622 CE1 PHE A 41 9.290 -0.437 4.741 1.00 0.00 C ATOM 623 CE2 PHE A 41 7.310 0.307 5.855 1.00 0.00 C ATOM 624 CZ PHE A 41 8.506 0.591 5.224 1.00 0.00 C ATOM 0 H PHE A 41 4.659 -3.812 4.632 1.00 0.00 H new ATOM 0 HA PHE A 41 7.423 -3.880 3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.446 -3.516 6.429 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.067 -4.065 6.054 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.494 -2.548 4.507 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.967 -1.223 6.493 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.226 -0.217 4.248 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.695 1.109 6.235 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.827 1.616 5.109 1.00 0.00 H new ATOM 634 N TYR A 42 7.739 -6.299 4.300 1.00 0.00 N ATOM 635 CA TYR A 42 7.782 -7.752 4.411 1.00 0.00 C ATOM 636 C TYR A 42 8.961 -8.198 5.270 1.00 0.00 C ATOM 637 O TYR A 42 10.032 -7.591 5.238 1.00 0.00 O ATOM 638 CB TYR A 42 7.878 -8.388 3.024 1.00 0.00 C ATOM 639 CG TYR A 42 9.188 -8.114 2.321 1.00 0.00 C ATOM 640 CD1 TYR A 42 10.292 -8.933 2.522 1.00 0.00 C ATOM 641 CD2 TYR A 42 9.321 -7.036 1.455 1.00 0.00 C ATOM 642 CE1 TYR A 42 11.491 -8.685 1.882 1.00 0.00 C ATOM 643 CE2 TYR A 42 10.516 -6.781 0.809 1.00 0.00 C ATOM 644 CZ TYR A 42 11.598 -7.609 1.027 1.00 0.00 C ATOM 645 OH TYR A 42 12.791 -7.360 0.387 1.00 0.00 O ATOM 0 H TYR A 42 8.624 -5.871 4.030 1.00 0.00 H new ATOM 0 HA TYR A 42 6.861 -8.081 4.891 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.744 -9.466 3.118 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.060 -8.018 2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.212 -9.778 3.190 1.00 0.00 H new ATOM 0 HD2 TYR A 42 8.476 -6.386 1.284 1.00 0.00 H new ATOM 0 HE1 TYR A 42 12.340 -9.331 2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.602 -5.939 0.138 1.00 0.00 H new ATOM 0 HH TYR A 42 12.616 -6.932 -0.477 1.00 0.00 H new ATOM 655 N TYR A 43 8.757 -9.262 6.037 1.00 0.00 N ATOM 656 CA TYR A 43 9.801 -9.790 6.907 1.00 0.00 C ATOM 657 C TYR A 43 9.911 -11.305 6.769 1.00 0.00 C ATOM 658 O TYR A 43 8.951 -11.978 6.392 1.00 0.00 O ATOM 659 CB TYR A 43 9.518 -9.419 8.364 1.00 0.00 C ATOM 660 CG TYR A 43 8.959 -8.024 8.535 1.00 0.00 C ATOM 661 CD1 TYR A 43 7.690 -7.700 8.069 1.00 0.00 C ATOM 662 CD2 TYR A 43 9.699 -7.031 9.163 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.176 -6.427 8.223 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.193 -5.755 9.323 1.00 0.00 C ATOM 665 CZ TYR A 43 7.931 -5.458 8.851 1.00 0.00 C ATOM 666 OH TYR A 43 7.422 -4.190 9.007 1.00 0.00 O ATOM 0 H TYR A 43 7.877 -9.777 6.074 1.00 0.00 H new ATOM 0 HA TYR A 43 10.749 -9.346 6.604 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.814 -10.138 8.783 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.441 -9.505 8.938 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.096 -8.456 7.578 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.688 -7.260 9.533 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.189 -6.192 7.854 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.782 -4.995 9.815 1.00 0.00 H new ATOM 0 HH TYR A 43 8.079 -3.629 9.470 1.00 0.00 H new ATOM 676 N LYS A 44 11.089 -11.837 7.078 1.00 0.00 N ATOM 677 CA LYS A 44 11.327 -13.273 6.991 1.00 0.00 C ATOM 678 C LYS A 44 10.112 -14.056 7.476 1.00 0.00 C ATOM 679 O LYS A 44 9.650 -14.981 6.807 1.00 0.00 O ATOM 680 CB LYS A 44 12.557 -13.657 7.817 1.00 0.00 C ATOM 681 CG LYS A 44 13.758 -12.760 7.573 1.00 0.00 C ATOM 682 CD LYS A 44 15.064 -13.512 7.762 1.00 0.00 C ATOM 683 CE LYS A 44 16.223 -12.798 7.083 1.00 0.00 C ATOM 684 NZ LYS A 44 16.513 -11.483 7.720 1.00 0.00 N ATOM 0 H LYS A 44 11.894 -11.295 7.391 1.00 0.00 H new ATOM 0 HA LYS A 44 11.505 -13.524 5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.298 -13.624 8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.831 -14.687 7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.712 -12.357 6.561 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.724 -11.911 8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.274 -13.617 8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.967 -14.519 7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.112 -13.427 7.126 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.990 -12.648 6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.239 -10.983 7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.644 -10.912 7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.858 -11.635 8.689 1.00 0.00 H new ATOM 698 N ASP A 45 9.597 -13.680 8.642 1.00 0.00 N ATOM 699 CA ASP A 45 8.433 -14.346 9.215 1.00 0.00 C ATOM 700 C ASP A 45 7.738 -13.446 10.231 1.00 0.00 C ATOM 701 O ASP A 45 8.159 -12.313 10.460 1.00 0.00 O ATOM 702 CB ASP A 45 8.846 -15.661 9.877 1.00 0.00 C ATOM 703 CG ASP A 45 9.851 -15.456 10.994 1.00 0.00 C ATOM 704 OD1 ASP A 45 10.852 -14.744 10.769 1.00 0.00 O ATOM 705 OD2 ASP A 45 9.635 -16.007 12.094 1.00 0.00 O ATOM 0 H ASP A 45 9.968 -12.917 9.209 1.00 0.00 H new ATOM 0 HA ASP A 45 7.733 -14.560 8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.961 -16.158 10.275 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.273 -16.325 9.125 1.00 0.00 H new ATOM 710 N GLU A 46 6.672 -13.959 10.837 1.00 0.00 N ATOM 711 CA GLU A 46 5.917 -13.200 11.827 1.00 0.00 C ATOM 712 C GLU A 46 6.856 -12.489 12.798 1.00 0.00 C ATOM 713 O GLU A 46 6.675 -11.310 13.103 1.00 0.00 O ATOM 714 CB GLU A 46 4.973 -14.124 12.599 1.00 0.00 C ATOM 715 CG GLU A 46 3.878 -14.731 11.738 1.00 0.00 C ATOM 716 CD GLU A 46 2.660 -15.140 12.545 1.00 0.00 C ATOM 717 OE1 GLU A 46 1.775 -14.285 12.757 1.00 0.00 O ATOM 718 OE2 GLU A 46 2.594 -16.314 12.964 1.00 0.00 O ATOM 0 H GLU A 46 6.312 -14.897 10.660 1.00 0.00 H new ATOM 0 HA GLU A 46 5.329 -12.449 11.300 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.554 -14.927 13.053 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.514 -13.563 13.413 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.579 -14.011 10.976 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.273 -15.603 11.216 1.00 0.00 H new ATOM 725 N LYS A 47 7.859 -13.214 13.280 1.00 0.00 N ATOM 726 CA LYS A 47 8.828 -12.655 14.216 1.00 0.00 C ATOM 727 C LYS A 47 9.112 -11.191 13.894 1.00 0.00 C ATOM 728 O LYS A 47 9.313 -10.377 14.794 1.00 0.00 O ATOM 729 CB LYS A 47 10.129 -13.459 14.176 1.00 0.00 C ATOM 730 CG LYS A 47 10.063 -14.762 14.954 1.00 0.00 C ATOM 731 CD LYS A 47 11.451 -15.303 15.253 1.00 0.00 C ATOM 732 CE LYS A 47 12.042 -14.665 16.501 1.00 0.00 C ATOM 733 NZ LYS A 47 13.333 -15.296 16.889 1.00 0.00 N ATOM 0 H LYS A 47 8.023 -14.191 13.038 1.00 0.00 H new ATOM 0 HA LYS A 47 8.404 -12.713 15.218 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.379 -13.678 13.138 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.937 -12.847 14.577 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.525 -14.602 15.888 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.499 -15.500 14.383 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.401 -16.384 15.385 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.106 -15.116 14.402 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.197 -13.600 16.326 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.333 -14.753 17.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.703 -14.833 17.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.181 -16.307 17.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.018 -15.190 16.114 1.00 0.00 H new ATOM 747 N GLU A 48 9.127 -10.865 12.605 1.00 0.00 N ATOM 748 CA GLU A 48 9.386 -9.499 12.166 1.00 0.00 C ATOM 749 C GLU A 48 10.690 -8.975 12.760 1.00 0.00 C ATOM 750 O GLU A 48 10.740 -7.867 13.293 1.00 0.00 O ATOM 751 CB GLU A 48 8.227 -8.583 12.565 1.00 0.00 C ATOM 752 CG GLU A 48 8.226 -7.250 11.836 1.00 0.00 C ATOM 753 CD GLU A 48 7.538 -6.153 12.627 1.00 0.00 C ATOM 754 OE1 GLU A 48 7.805 -6.040 13.841 1.00 0.00 O ATOM 755 OE2 GLU A 48 6.734 -5.408 12.029 1.00 0.00 O ATOM 0 H GLU A 48 8.963 -11.528 11.847 1.00 0.00 H new ATOM 0 HA GLU A 48 9.478 -9.505 11.080 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.285 -9.096 12.368 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.272 -8.400 13.639 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.254 -6.953 11.628 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.727 -7.367 10.874 1.00 0.00 H new ATOM 762 N GLU A 49 11.743 -9.781 12.664 1.00 0.00 N ATOM 763 CA GLU A 49 13.047 -9.399 13.193 1.00 0.00 C ATOM 764 C GLU A 49 13.472 -8.034 12.659 1.00 0.00 C ATOM 765 O GLU A 49 13.692 -7.097 13.426 1.00 0.00 O ATOM 766 CB GLU A 49 14.098 -10.451 12.829 1.00 0.00 C ATOM 767 CG GLU A 49 13.951 -11.750 13.603 1.00 0.00 C ATOM 768 CD GLU A 49 14.026 -11.547 15.104 1.00 0.00 C ATOM 769 OE1 GLU A 49 15.150 -11.558 15.648 1.00 0.00 O ATOM 770 OE2 GLU A 49 12.961 -11.378 15.733 1.00 0.00 O ATOM 0 H GLU A 49 11.718 -10.702 12.225 1.00 0.00 H new ATOM 0 HA GLU A 49 12.966 -9.337 14.278 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.032 -10.664 11.762 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.091 -10.039 13.011 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.997 -12.213 13.350 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.734 -12.443 13.294 1.00 0.00 H new ATOM 777 N SER A 50 13.587 -7.931 11.339 1.00 0.00 N ATOM 778 CA SER A 50 13.990 -6.682 10.702 1.00 0.00 C ATOM 779 C SER A 50 13.402 -6.574 9.299 1.00 0.00 C ATOM 780 O SER A 50 13.157 -7.583 8.637 1.00 0.00 O ATOM 781 CB SER A 50 15.516 -6.588 10.637 1.00 0.00 C ATOM 782 OG SER A 50 15.928 -5.320 10.156 1.00 0.00 O ATOM 0 H SER A 50 13.407 -8.697 10.690 1.00 0.00 H new ATOM 0 HA SER A 50 13.607 -5.856 11.302 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.937 -6.759 11.628 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.905 -7.371 9.986 1.00 0.00 H new ATOM 0 HG SER A 50 16.907 -5.284 10.125 1.00 0.00 H new ATOM 788 N ILE A 51 13.178 -5.343 8.851 1.00 0.00 N ATOM 789 CA ILE A 51 12.619 -5.102 7.527 1.00 0.00 C ATOM 790 C ILE A 51 13.595 -5.525 6.434 1.00 0.00 C ATOM 791 O ILE A 51 14.739 -5.068 6.396 1.00 0.00 O ATOM 792 CB ILE A 51 12.257 -3.618 7.330 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.151 -3.207 8.305 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.825 -3.364 5.894 1.00 0.00 C ATOM 795 CD1 ILE A 51 10.932 -1.712 8.374 1.00 0.00 C ATOM 0 H ILE A 51 13.375 -4.497 9.386 1.00 0.00 H new ATOM 0 HA ILE A 51 11.712 -5.701 7.453 1.00 0.00 H new ATOM 0 HB ILE A 51 13.140 -3.013 7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.219 -3.689 8.009 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.399 -3.576 9.300 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.572 -2.311 5.771 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.640 -3.623 5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.953 -3.976 5.663 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.134 -1.494 9.084 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.851 -1.224 8.699 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.653 -1.339 7.389 1.00 0.00 H new ATOM 807 N LEU A 52 13.136 -6.398 5.544 1.00 0.00 N ATOM 808 CA LEU A 52 13.968 -6.881 4.447 1.00 0.00 C ATOM 809 C LEU A 52 13.836 -5.979 3.225 1.00 0.00 C ATOM 810 O LEU A 52 14.800 -5.766 2.491 1.00 0.00 O ATOM 811 CB LEU A 52 13.580 -8.315 4.081 1.00 0.00 C ATOM 812 CG LEU A 52 13.991 -9.398 5.080 1.00 0.00 C ATOM 813 CD1 LEU A 52 13.410 -10.744 4.677 1.00 0.00 C ATOM 814 CD2 LEU A 52 15.507 -9.479 5.185 1.00 0.00 C ATOM 0 H LEU A 52 12.193 -6.786 5.560 1.00 0.00 H new ATOM 0 HA LEU A 52 15.007 -6.864 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.498 -8.356 3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.022 -8.554 3.114 1.00 0.00 H new ATOM 0 HG LEU A 52 13.593 -9.132 6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.713 -11.502 5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.322 -10.679 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.778 -11.018 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.781 -10.255 5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.927 -9.721 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 52 15.900 -8.520 5.522 1.00 0.00 H new ATOM 826 N GLY A 53 12.635 -5.448 3.014 1.00 0.00 N ATOM 827 CA GLY A 53 12.400 -4.572 1.881 1.00 0.00 C ATOM 828 C GLY A 53 11.196 -3.674 2.083 1.00 0.00 C ATOM 829 O GLY A 53 10.333 -3.958 2.914 1.00 0.00 O ATOM 0 H GLY A 53 11.821 -5.609 3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.284 -3.957 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.254 -5.174 0.984 1.00 0.00 H new ATOM 833 N SER A 54 11.137 -2.585 1.322 1.00 0.00 N ATOM 834 CA SER A 54 10.033 -1.639 1.426 1.00 0.00 C ATOM 835 C SER A 54 9.283 -1.532 0.101 1.00 0.00 C ATOM 836 O SER A 54 9.894 -1.411 -0.962 1.00 0.00 O ATOM 837 CB SER A 54 10.551 -0.262 1.844 1.00 0.00 C ATOM 838 OG SER A 54 10.951 0.497 0.717 1.00 0.00 O ATOM 0 H SER A 54 11.841 -2.337 0.627 1.00 0.00 H new ATOM 0 HA SER A 54 9.343 -2.006 2.186 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.773 0.273 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.394 -0.379 2.525 1.00 0.00 H new ATOM 0 HG SER A 54 11.276 1.373 1.011 1.00 0.00 H new ATOM 844 N ILE A 55 7.957 -1.576 0.173 1.00 0.00 N ATOM 845 CA ILE A 55 7.124 -1.483 -1.019 1.00 0.00 C ATOM 846 C ILE A 55 6.189 -0.282 -0.943 1.00 0.00 C ATOM 847 O ILE A 55 5.191 -0.285 -0.222 1.00 0.00 O ATOM 848 CB ILE A 55 6.287 -2.760 -1.221 1.00 0.00 C ATOM 849 CG1 ILE A 55 7.187 -3.997 -1.191 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.520 -2.688 -2.534 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.421 -5.300 -1.138 1.00 0.00 C ATOM 0 H ILE A 55 7.437 -1.676 1.045 1.00 0.00 H new ATOM 0 HA ILE A 55 7.798 -1.362 -1.867 1.00 0.00 H new ATOM 0 HB ILE A 55 5.568 -2.838 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.824 -3.995 -2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.845 -3.936 -0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.933 -3.597 -2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.854 -1.825 -2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.223 -2.590 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.123 -6.134 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.805 -5.324 -0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.783 -5.383 -2.018 1.00 0.00 H new ATOM 863 N PRO A 56 6.516 0.772 -1.707 1.00 0.00 N ATOM 864 CA PRO A 56 5.716 2.000 -1.746 1.00 0.00 C ATOM 865 C PRO A 56 4.371 1.794 -2.435 1.00 0.00 C ATOM 866 O PRO A 56 4.313 1.486 -3.626 1.00 0.00 O ATOM 867 CB PRO A 56 6.588 2.965 -2.553 1.00 0.00 C ATOM 868 CG PRO A 56 7.441 2.086 -3.401 1.00 0.00 C ATOM 869 CD PRO A 56 7.691 0.845 -2.591 1.00 0.00 C ATOM 0 HA PRO A 56 5.471 2.359 -0.746 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.979 3.633 -3.162 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.193 3.593 -1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.941 1.845 -4.339 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.378 2.581 -3.656 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.773 -0.038 -3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.618 0.916 -2.022 1.00 0.00 H new ATOM 877 N LEU A 57 3.293 1.967 -1.679 1.00 0.00 N ATOM 878 CA LEU A 57 1.947 1.800 -2.217 1.00 0.00 C ATOM 879 C LEU A 57 1.266 3.152 -2.408 1.00 0.00 C ATOM 880 O LEU A 57 0.076 3.304 -2.130 1.00 0.00 O ATOM 881 CB LEU A 57 1.109 0.922 -1.287 1.00 0.00 C ATOM 882 CG LEU A 57 1.256 -0.588 -1.477 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.389 -1.339 -0.479 1.00 0.00 C ATOM 884 CD2 LEU A 57 0.896 -0.984 -2.902 1.00 0.00 C ATOM 0 H LEU A 57 3.324 2.223 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 57 2.029 1.314 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.370 1.166 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.059 1.184 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 57 2.297 -0.857 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.507 -2.412 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.693 -1.079 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.656 -1.065 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.006 -2.062 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.136 -0.700 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.559 -0.474 -3.600 1.00 0.00 H new ATOM 896 N LEU A 58 2.028 4.130 -2.886 1.00 0.00 N ATOM 897 CA LEU A 58 1.498 5.469 -3.117 1.00 0.00 C ATOM 898 C LEU A 58 0.792 5.550 -4.467 1.00 0.00 C ATOM 899 O LEU A 58 1.438 5.592 -5.515 1.00 0.00 O ATOM 900 CB LEU A 58 2.624 6.502 -3.055 1.00 0.00 C ATOM 901 CG LEU A 58 2.197 7.945 -2.781 1.00 0.00 C ATOM 902 CD1 LEU A 58 1.665 8.085 -1.363 1.00 0.00 C ATOM 903 CD2 LEU A 58 3.360 8.899 -3.013 1.00 0.00 C ATOM 0 H LEU A 58 3.015 4.021 -3.121 1.00 0.00 H new ATOM 0 HA LEU A 58 0.771 5.685 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.326 6.198 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.165 6.478 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 58 1.397 8.204 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.366 9.118 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.803 7.431 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.444 7.806 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.038 9.921 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.182 8.640 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.695 8.820 -4.047 1.00 0.00 H new ATOM 915 N SER A 59 -0.536 5.573 -4.435 1.00 0.00 N ATOM 916 CA SER A 59 -1.329 5.648 -5.656 1.00 0.00 C ATOM 917 C SER A 59 -1.099 4.419 -6.530 1.00 0.00 C ATOM 918 O SER A 59 -1.169 4.493 -7.757 1.00 0.00 O ATOM 919 CB SER A 59 -0.982 6.916 -6.439 1.00 0.00 C ATOM 920 OG SER A 59 -2.093 7.371 -7.192 1.00 0.00 O ATOM 0 H SER A 59 -1.086 5.541 -3.576 1.00 0.00 H new ATOM 0 HA SER A 59 -2.381 5.680 -5.374 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.662 7.697 -5.749 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.143 6.717 -7.106 1.00 0.00 H new ATOM 0 HG SER A 59 -1.846 8.183 -7.682 1.00 0.00 H new ATOM 926 N PHE A 60 -0.824 3.288 -5.888 1.00 0.00 N ATOM 927 CA PHE A 60 -0.582 2.041 -6.605 1.00 0.00 C ATOM 928 C PHE A 60 -1.898 1.385 -7.014 1.00 0.00 C ATOM 929 O PHE A 60 -2.858 1.363 -6.245 1.00 0.00 O ATOM 930 CB PHE A 60 0.232 1.079 -5.737 1.00 0.00 C ATOM 931 CG PHE A 60 1.717 1.218 -5.920 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.346 2.431 -5.691 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.483 0.136 -6.321 1.00 0.00 C ATOM 934 CE1 PHE A 60 3.711 2.562 -5.859 1.00 0.00 C ATOM 935 CE2 PHE A 60 3.849 0.260 -6.491 1.00 0.00 C ATOM 936 CZ PHE A 60 4.464 1.475 -6.258 1.00 0.00 C ATOM 0 H PHE A 60 -0.763 3.209 -4.873 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.016 2.273 -7.507 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.015 1.250 -4.689 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.061 0.055 -5.970 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.762 3.284 -5.378 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.007 -0.816 -6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.189 3.514 -5.679 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.435 -0.591 -6.805 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.532 1.575 -6.388 1.00 0.00 H new ATOM 946 N ARG A 61 -1.933 0.852 -8.231 1.00 0.00 N ATOM 947 CA ARG A 61 -3.130 0.197 -8.744 1.00 0.00 C ATOM 948 C ARG A 61 -3.169 -1.270 -8.324 1.00 0.00 C ATOM 949 O ARG A 61 -2.549 -2.124 -8.957 1.00 0.00 O ATOM 950 CB ARG A 61 -3.181 0.304 -10.269 1.00 0.00 C ATOM 951 CG ARG A 61 -4.565 0.063 -10.850 1.00 0.00 C ATOM 952 CD ARG A 61 -4.671 0.588 -12.273 1.00 0.00 C ATOM 953 NE ARG A 61 -5.628 -0.176 -13.069 1.00 0.00 N ATOM 954 CZ ARG A 61 -5.840 0.033 -14.363 1.00 0.00 C ATOM 955 NH1 ARG A 61 -5.166 0.978 -15.005 1.00 0.00 N ATOM 956 NH2 ARG A 61 -6.727 -0.704 -15.019 1.00 0.00 N ATOM 0 H ARG A 61 -1.146 0.861 -8.880 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.000 0.701 -8.322 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.839 1.295 -10.567 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.485 -0.416 -10.699 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.785 -1.004 -10.838 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.313 0.550 -10.225 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.972 1.635 -12.251 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.691 0.548 -12.748 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.163 -0.910 -12.605 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.483 1.546 -14.505 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.331 1.136 -15.999 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.247 -1.432 -14.529 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.889 -0.542 -16.013 1.00 0.00 H new ATOM 970 N VAL A 62 -3.902 -1.554 -7.252 1.00 0.00 N ATOM 971 CA VAL A 62 -4.023 -2.917 -6.748 1.00 0.00 C ATOM 972 C VAL A 62 -5.355 -3.537 -7.155 1.00 0.00 C ATOM 973 O VAL A 62 -6.411 -2.929 -6.988 1.00 0.00 O ATOM 974 CB VAL A 62 -3.896 -2.961 -5.214 1.00 0.00 C ATOM 975 CG1 VAL A 62 -3.767 -4.397 -4.730 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.710 -2.126 -4.754 1.00 0.00 C ATOM 0 H VAL A 62 -4.421 -0.858 -6.716 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.208 -3.491 -7.189 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.801 -2.536 -4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.678 -4.408 -3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.650 -4.962 -5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.880 -4.851 -5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.635 -2.168 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.795 -2.519 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.850 -1.092 -5.068 1.00 0.00 H new ATOM 986 N ALA A 63 -5.297 -4.753 -7.689 1.00 0.00 N ATOM 987 CA ALA A 63 -6.499 -5.457 -8.118 1.00 0.00 C ATOM 988 C ALA A 63 -6.183 -6.899 -8.500 1.00 0.00 C ATOM 989 O ALA A 63 -5.021 -7.263 -8.682 1.00 0.00 O ATOM 990 CB ALA A 63 -7.148 -4.730 -9.286 1.00 0.00 C ATOM 0 H ALA A 63 -4.430 -5.271 -7.835 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.198 -5.475 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.044 -5.267 -9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.418 -3.719 -8.981 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.447 -4.682 -10.120 1.00 0.00 H new ATOM 996 N ALA A 64 -7.224 -7.717 -8.618 1.00 0.00 N ATOM 997 CA ALA A 64 -7.057 -9.119 -8.980 1.00 0.00 C ATOM 998 C ALA A 64 -6.344 -9.259 -10.320 1.00 0.00 C ATOM 999 O ALA A 64 -6.713 -8.615 -11.302 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.409 -9.817 -9.023 1.00 0.00 C ATOM 0 H ALA A 64 -8.192 -7.433 -8.468 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.439 -9.594 -8.219 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.270 -10.863 -9.295 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.881 -9.756 -8.042 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.046 -9.332 -9.763 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.319 -10.105 -10.354 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.553 -10.330 -11.574 1.00 0.00 C ATOM 1008 C VAL A 65 -5.466 -10.717 -12.732 1.00 0.00 C ATOM 1009 O VAL A 65 -6.670 -10.897 -12.552 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.496 -11.433 -11.378 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.357 -10.931 -10.502 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.131 -12.679 -10.779 1.00 0.00 C ATOM 0 H VAL A 65 -5.000 -10.646 -9.550 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.049 -9.392 -11.809 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.085 -11.696 -12.353 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.620 -11.724 -10.374 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.886 -10.070 -10.976 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.749 -10.640 -9.527 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.370 -13.448 -10.647 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.571 -12.434 -9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.908 -13.049 -11.448 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.884 -10.844 -13.920 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.646 -11.210 -15.108 1.00 0.00 C ATOM 1024 C GLN A 66 -5.127 -12.513 -15.708 1.00 0.00 C ATOM 1025 O GLN A 66 -4.002 -12.939 -15.448 1.00 0.00 O ATOM 1026 CB GLN A 66 -5.576 -10.091 -16.149 1.00 0.00 C ATOM 1027 CG GLN A 66 -6.672 -9.049 -15.997 1.00 0.00 C ATOM 1028 CD GLN A 66 -6.896 -8.248 -17.265 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -6.198 -7.267 -17.524 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -7.872 -8.663 -18.064 1.00 0.00 N ATOM 0 H GLN A 66 -3.888 -10.699 -14.085 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.685 -11.357 -14.812 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.606 -9.599 -16.077 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.638 -10.529 -17.145 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.602 -9.544 -15.715 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.413 -8.371 -15.184 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.426 -9.481 -17.810 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -8.068 -8.164 -18.932 1.00 0.00 H new ATOM 1039 N PRO A 67 -5.965 -13.161 -16.530 1.00 0.00 N ATOM 1040 CA PRO A 67 -5.613 -14.425 -17.185 1.00 0.00 C ATOM 1041 C PRO A 67 -4.544 -14.244 -18.257 1.00 0.00 C ATOM 1042 O PRO A 67 -3.916 -15.210 -18.691 1.00 0.00 O ATOM 1043 CB PRO A 67 -6.932 -14.878 -17.815 1.00 0.00 C ATOM 1044 CG PRO A 67 -7.706 -13.621 -18.019 1.00 0.00 C ATOM 1045 CD PRO A 67 -7.321 -12.710 -16.886 1.00 0.00 C ATOM 0 HA PRO A 67 -5.192 -15.144 -16.483 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.762 -15.396 -18.759 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.465 -15.570 -17.163 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.469 -13.168 -18.982 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.778 -13.818 -18.015 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.329 -11.664 -17.191 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.009 -12.802 -16.045 1.00 0.00 H new ATOM 1053 N SER A 68 -4.341 -13.000 -18.680 1.00 0.00 N ATOM 1054 CA SER A 68 -3.350 -12.693 -19.705 1.00 0.00 C ATOM 1055 C SER A 68 -2.009 -12.332 -19.073 1.00 0.00 C ATOM 1056 O SER A 68 -1.108 -11.832 -19.746 1.00 0.00 O ATOM 1057 CB SER A 68 -3.837 -11.542 -20.587 1.00 0.00 C ATOM 1058 OG SER A 68 -4.916 -11.951 -21.410 1.00 0.00 O ATOM 0 H SER A 68 -4.850 -12.189 -18.329 1.00 0.00 H new ATOM 0 HA SER A 68 -3.214 -13.581 -20.322 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.150 -10.707 -19.960 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.017 -11.184 -21.209 1.00 0.00 H new ATOM 0 HG SER A 68 -5.210 -11.197 -21.963 1.00 0.00 H new ATOM 1064 N ASP A 69 -1.886 -12.589 -17.775 1.00 0.00 N ATOM 1065 CA ASP A 69 -0.656 -12.292 -17.050 1.00 0.00 C ATOM 1066 C ASP A 69 0.133 -13.569 -16.774 1.00 0.00 C ATOM 1067 O ASP A 69 1.214 -13.527 -16.188 1.00 0.00 O ATOM 1068 CB ASP A 69 -0.972 -11.579 -15.735 1.00 0.00 C ATOM 1069 CG ASP A 69 -1.238 -10.099 -15.928 1.00 0.00 C ATOM 1070 OD1 ASP A 69 -0.262 -9.320 -15.961 1.00 0.00 O ATOM 1071 OD2 ASP A 69 -2.422 -9.720 -16.048 1.00 0.00 O ATOM 0 H ASP A 69 -2.623 -13.002 -17.204 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.047 -11.636 -17.672 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.843 -12.044 -15.273 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.138 -11.708 -15.045 1.00 0.00 H new ATOM 1076 N ASN A 70 -0.416 -14.702 -17.201 1.00 0.00 N ATOM 1077 CA ASN A 70 0.236 -15.990 -16.998 1.00 0.00 C ATOM 1078 C ASN A 70 0.338 -16.321 -15.512 1.00 0.00 C ATOM 1079 O ASN A 70 1.294 -16.959 -15.072 1.00 0.00 O ATOM 1080 CB ASN A 70 1.631 -15.985 -17.627 1.00 0.00 C ATOM 1081 CG ASN A 70 1.626 -15.427 -19.037 1.00 0.00 C ATOM 1082 OD1 ASN A 70 0.774 -15.777 -19.853 1.00 0.00 O ATOM 1083 ND2 ASN A 70 2.583 -14.553 -19.331 1.00 0.00 N ATOM 0 H ASN A 70 -1.310 -14.754 -17.689 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.371 -16.755 -17.482 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.304 -15.393 -17.007 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.023 -17.002 -17.643 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.631 -14.144 -20.264 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.269 -14.291 -18.623 1.00 0.00 H new ATOM 1090 N ILE A 71 -0.654 -15.882 -14.745 1.00 0.00 N ATOM 1091 CA ILE A 71 -0.677 -16.132 -13.309 1.00 0.00 C ATOM 1092 C ILE A 71 -1.628 -17.274 -12.965 1.00 0.00 C ATOM 1093 O ILE A 71 -2.781 -17.047 -12.601 1.00 0.00 O ATOM 1094 CB ILE A 71 -1.099 -14.875 -12.525 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -0.164 -13.708 -12.849 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -1.101 -15.159 -11.030 1.00 0.00 C ATOM 1097 CD1 ILE A 71 1.245 -13.901 -12.335 1.00 0.00 C ATOM 0 H ILE A 71 -1.452 -15.351 -15.094 1.00 0.00 H new ATOM 0 HA ILE A 71 0.338 -16.407 -13.021 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.110 -14.600 -12.825 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.132 -13.568 -13.930 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.576 -12.794 -12.422 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.401 -14.261 -10.490 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.803 -15.965 -10.814 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.100 -15.455 -10.715 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.851 -13.035 -12.601 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.225 -14.010 -11.251 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.676 -14.797 -12.782 1.00 0.00 H new ATOM 1109 N SER A 72 -1.134 -18.503 -13.082 1.00 0.00 N ATOM 1110 CA SER A 72 -1.940 -19.682 -12.786 1.00 0.00 C ATOM 1111 C SER A 72 -2.379 -19.686 -11.325 1.00 0.00 C ATOM 1112 O SER A 72 -3.425 -20.238 -10.981 1.00 0.00 O ATOM 1113 CB SER A 72 -1.152 -20.955 -13.097 1.00 0.00 C ATOM 1114 OG SER A 72 -2.022 -22.054 -13.310 1.00 0.00 O ATOM 0 H SER A 72 -0.180 -18.708 -13.379 1.00 0.00 H new ATOM 0 HA SER A 72 -2.830 -19.651 -13.415 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.536 -20.798 -13.982 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.475 -21.178 -12.273 1.00 0.00 H new ATOM 0 HG SER A 72 -1.494 -22.855 -13.509 1.00 0.00 H new ATOM 1120 N ARG A 73 -1.572 -19.067 -10.469 1.00 0.00 N ATOM 1121 CA ARG A 73 -1.876 -19.000 -9.045 1.00 0.00 C ATOM 1122 C ARG A 73 -3.239 -18.357 -8.809 1.00 0.00 C ATOM 1123 O ARG A 73 -3.523 -17.273 -9.319 1.00 0.00 O ATOM 1124 CB ARG A 73 -0.793 -18.210 -8.308 1.00 0.00 C ATOM 1125 CG ARG A 73 0.521 -18.961 -8.170 1.00 0.00 C ATOM 1126 CD ARG A 73 1.293 -18.511 -6.939 1.00 0.00 C ATOM 1127 NE ARG A 73 0.736 -19.068 -5.710 1.00 0.00 N ATOM 1128 CZ ARG A 73 0.936 -20.320 -5.313 1.00 0.00 C ATOM 1129 NH1 ARG A 73 1.677 -21.141 -6.045 1.00 0.00 N ATOM 1130 NH2 ARG A 73 0.395 -20.754 -4.182 1.00 0.00 N ATOM 0 H ARG A 73 -0.703 -18.605 -10.737 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.902 -20.018 -8.656 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.613 -17.275 -8.838 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.158 -17.948 -7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.325 -20.031 -8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.128 -18.800 -9.061 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.336 -18.814 -7.034 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.281 -17.423 -6.882 1.00 0.00 H new ATOM 0 HE ARG A 73 0.162 -18.463 -5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.095 -20.812 -6.915 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.829 -22.102 -5.738 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.176 -20.126 -3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.550 -21.716 -3.879 1.00 0.00 H new ATOM 1144 N LYS A 74 -4.081 -19.032 -8.034 1.00 0.00 N ATOM 1145 CA LYS A 74 -5.414 -18.528 -7.729 1.00 0.00 C ATOM 1146 C LYS A 74 -5.361 -17.487 -6.616 1.00 0.00 C ATOM 1147 O LYS A 74 -4.346 -17.346 -5.932 1.00 0.00 O ATOM 1148 CB LYS A 74 -6.336 -19.679 -7.321 1.00 0.00 C ATOM 1149 CG LYS A 74 -6.800 -20.530 -8.490 1.00 0.00 C ATOM 1150 CD LYS A 74 -8.168 -21.138 -8.229 1.00 0.00 C ATOM 1151 CE LYS A 74 -9.277 -20.112 -8.406 1.00 0.00 C ATOM 1152 NZ LYS A 74 -10.510 -20.495 -7.665 1.00 0.00 N ATOM 0 H LYS A 74 -3.863 -19.931 -7.605 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.810 -18.054 -8.627 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.815 -20.314 -6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.208 -19.271 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.838 -19.920 -9.393 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.077 -21.325 -8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.332 -21.973 -8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.201 -21.540 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.931 -19.139 -8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.508 -20.006 -9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.224 -19.746 -7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.884 -21.386 -8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.285 -20.621 -6.658 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.459 -16.760 -6.438 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.538 -15.732 -5.406 1.00 0.00 C ATOM 1168 C HIS A 75 -5.259 -14.901 -5.368 1.00 0.00 C ATOM 1169 O HIS A 75 -4.655 -14.718 -4.310 1.00 0.00 O ATOM 1170 CB HIS A 75 -6.785 -16.371 -4.039 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.565 -17.648 -4.107 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -8.760 -17.765 -4.786 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.315 -18.867 -3.577 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.211 -19.001 -4.669 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.352 -19.691 -3.940 1.00 0.00 N ATOM 0 H HIS A 75 -7.307 -16.864 -6.995 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.372 -15.073 -5.647 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.826 -16.566 -3.560 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.319 -15.662 -3.407 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.459 -19.142 -2.979 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.126 -19.383 -5.097 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.444 -20.675 -3.688 1.00 0.00 H new ATOM 1184 N THR A 76 -4.849 -14.401 -6.530 1.00 0.00 N ATOM 1185 CA THR A 76 -3.641 -13.591 -6.630 1.00 0.00 C ATOM 1186 C THR A 76 -3.951 -12.208 -7.191 1.00 0.00 C ATOM 1187 O THR A 76 -4.730 -12.070 -8.135 1.00 0.00 O ATOM 1188 CB THR A 76 -2.583 -14.269 -7.520 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.244 -15.554 -6.987 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.332 -13.410 -7.623 1.00 0.00 C ATOM 0 H THR A 76 -5.336 -14.543 -7.415 1.00 0.00 H new ATOM 0 HA THR A 76 -3.244 -13.489 -5.620 1.00 0.00 H new ATOM 0 HB THR A 76 -3.004 -14.391 -8.518 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.064 -16.046 -6.773 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.599 -13.909 -8.257 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.589 -12.444 -8.057 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.911 -13.260 -6.629 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.336 -11.186 -6.606 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.547 -9.812 -7.048 1.00 0.00 C ATOM 1200 C PHE A 77 -2.229 -9.167 -7.464 1.00 0.00 C ATOM 1201 O PHE A 77 -1.151 -9.681 -7.167 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.202 -8.990 -5.935 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.543 -9.162 -4.597 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -3.773 -10.298 -3.837 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.694 -8.188 -4.097 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.168 -10.460 -2.605 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.086 -8.344 -2.866 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.324 -9.480 -2.118 1.00 0.00 C ATOM 0 H PHE A 77 -2.687 -11.283 -5.825 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.210 -9.832 -7.913 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.178 -7.936 -6.210 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.251 -9.274 -5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.433 -11.066 -4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.505 -7.296 -4.676 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.354 -11.351 -2.024 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.425 -7.578 -2.489 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.852 -9.602 -1.155 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.323 -8.036 -8.156 1.00 0.00 N ATOM 1219 CA LYS A 78 -1.140 -7.318 -8.614 1.00 0.00 C ATOM 1220 C LYS A 78 -1.212 -5.845 -8.223 1.00 0.00 C ATOM 1221 O LYS A 78 -2.298 -5.286 -8.072 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.996 -7.446 -10.132 1.00 0.00 C ATOM 1223 CG LYS A 78 -2.262 -7.097 -10.895 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.947 -6.538 -12.273 1.00 0.00 C ATOM 1225 CE LYS A 78 -3.156 -5.846 -12.883 1.00 0.00 C ATOM 1226 NZ LYS A 78 -4.046 -6.807 -13.593 1.00 0.00 N ATOM 0 H LYS A 78 -3.207 -7.597 -8.412 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.268 -7.762 -8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.188 -6.796 -10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.705 -8.468 -10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.884 -7.986 -10.996 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.840 -6.367 -10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.120 -5.831 -12.200 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.619 -7.345 -12.928 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.719 -5.341 -12.098 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.821 -5.078 -13.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.858 -6.296 -13.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.516 -7.271 -14.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.386 -7.526 -12.923 1.00 0.00 H new ATOM 1240 N ALA A 79 -0.049 -5.223 -8.061 1.00 0.00 N ATOM 1241 CA ALA A 79 0.020 -3.815 -7.691 1.00 0.00 C ATOM 1242 C ALA A 79 1.137 -3.103 -8.445 1.00 0.00 C ATOM 1243 O ALA A 79 2.316 -3.295 -8.152 1.00 0.00 O ATOM 1244 CB ALA A 79 0.220 -3.673 -6.189 1.00 0.00 C ATOM 0 H ALA A 79 0.859 -5.672 -8.180 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.925 -3.346 -7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.270 -2.616 -5.927 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.615 -4.138 -5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.149 -4.163 -5.898 1.00 0.00 H new ATOM 1250 N GLU A 80 0.757 -2.280 -9.418 1.00 0.00 N ATOM 1251 CA GLU A 80 1.729 -1.541 -10.215 1.00 0.00 C ATOM 1252 C GLU A 80 1.365 -0.060 -10.279 1.00 0.00 C ATOM 1253 O GLU A 80 0.189 0.304 -10.257 1.00 0.00 O ATOM 1254 CB GLU A 80 1.808 -2.120 -11.629 1.00 0.00 C ATOM 1255 CG GLU A 80 0.565 -1.860 -12.464 1.00 0.00 C ATOM 1256 CD GLU A 80 0.488 -2.751 -13.688 1.00 0.00 C ATOM 1257 OE1 GLU A 80 1.393 -2.666 -14.543 1.00 0.00 O ATOM 1258 OE2 GLU A 80 -0.479 -3.536 -13.789 1.00 0.00 O ATOM 0 H GLU A 80 -0.216 -2.109 -9.673 1.00 0.00 H new ATOM 0 HA GLU A 80 2.703 -1.638 -9.736 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.673 -1.695 -12.139 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.973 -3.195 -11.563 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.321 -2.017 -11.849 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.554 -0.816 -12.778 1.00 0.00 H new ATOM 1265 N HIS A 81 2.384 0.790 -10.359 1.00 0.00 N ATOM 1266 CA HIS A 81 2.173 2.232 -10.426 1.00 0.00 C ATOM 1267 C HIS A 81 1.899 2.674 -11.861 1.00 0.00 C ATOM 1268 O HIS A 81 1.820 3.868 -12.148 1.00 0.00 O ATOM 1269 CB HIS A 81 3.391 2.974 -9.876 1.00 0.00 C ATOM 1270 CG HIS A 81 3.060 4.302 -9.268 1.00 0.00 C ATOM 1271 ND1 HIS A 81 4.019 5.177 -8.803 1.00 0.00 N ATOM 1272 CD2 HIS A 81 1.867 4.904 -9.052 1.00 0.00 C ATOM 1273 CE1 HIS A 81 3.430 6.259 -8.325 1.00 0.00 C ATOM 1274 NE2 HIS A 81 2.124 6.118 -8.465 1.00 0.00 N ATOM 0 H HIS A 81 3.363 0.506 -10.379 1.00 0.00 H new ATOM 0 HA HIS A 81 1.303 2.476 -9.816 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.877 2.351 -9.125 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.110 3.122 -10.682 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.894 4.504 -9.296 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.931 7.113 -7.893 1.00 0.00 H new ATOM 0 HE2 HIS A 81 1.421 6.801 -8.183 1.00 0.00 H new ATOM 1283 N ALA A 82 1.754 1.704 -12.757 1.00 0.00 N ATOM 1284 CA ALA A 82 1.488 1.993 -14.160 1.00 0.00 C ATOM 1285 C ALA A 82 2.735 2.525 -14.857 1.00 0.00 C ATOM 1286 O ALA A 82 2.662 3.461 -15.653 1.00 0.00 O ATOM 1287 CB ALA A 82 0.345 2.989 -14.286 1.00 0.00 C ATOM 0 H ALA A 82 1.816 0.710 -12.536 1.00 0.00 H new ATOM 0 HA ALA A 82 1.200 1.062 -14.649 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.157 3.196 -15.340 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.554 2.571 -13.832 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.611 3.915 -13.776 1.00 0.00 H new ATOM 1293 N GLY A 83 3.881 1.923 -14.553 1.00 0.00 N ATOM 1294 CA GLY A 83 5.128 2.352 -15.158 1.00 0.00 C ATOM 1295 C GLY A 83 6.326 2.090 -14.266 1.00 0.00 C ATOM 1296 O GLY A 83 7.295 1.459 -14.686 1.00 0.00 O ATOM 0 H GLY A 83 3.968 1.146 -13.898 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.265 1.833 -16.107 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.072 3.417 -15.382 1.00 0.00 H new ATOM 1300 N VAL A 84 6.260 2.579 -13.032 1.00 0.00 N ATOM 1301 CA VAL A 84 7.347 2.395 -12.078 1.00 0.00 C ATOM 1302 C VAL A 84 7.728 0.924 -11.956 1.00 0.00 C ATOM 1303 O VAL A 84 8.788 0.506 -12.422 1.00 0.00 O ATOM 1304 CB VAL A 84 6.970 2.934 -10.686 1.00 0.00 C ATOM 1305 CG1 VAL A 84 7.958 2.445 -9.638 1.00 0.00 C ATOM 1306 CG2 VAL A 84 6.906 4.454 -10.702 1.00 0.00 C ATOM 0 H VAL A 84 5.465 3.106 -12.669 1.00 0.00 H new ATOM 0 HA VAL A 84 8.200 2.958 -12.458 1.00 0.00 H new ATOM 0 HB VAL A 84 5.982 2.555 -10.424 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.675 2.836 -8.661 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.948 1.355 -9.609 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.959 2.792 -9.892 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.638 4.817 -9.710 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.879 4.856 -10.985 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.155 4.779 -11.422 1.00 0.00 H new ATOM 1316 N ARG A 85 6.857 0.143 -11.326 1.00 0.00 N ATOM 1317 CA ARG A 85 7.102 -1.282 -11.141 1.00 0.00 C ATOM 1318 C ARG A 85 5.801 -2.025 -10.854 1.00 0.00 C ATOM 1319 O ARG A 85 4.890 -1.484 -10.225 1.00 0.00 O ATOM 1320 CB ARG A 85 8.093 -1.506 -9.997 1.00 0.00 C ATOM 1321 CG ARG A 85 8.579 -2.942 -9.886 1.00 0.00 C ATOM 1322 CD ARG A 85 9.827 -3.175 -10.722 1.00 0.00 C ATOM 1323 NE ARG A 85 10.392 -4.504 -10.504 1.00 0.00 N ATOM 1324 CZ ARG A 85 11.643 -4.830 -10.812 1.00 0.00 C ATOM 1325 NH1 ARG A 85 12.454 -3.928 -11.348 1.00 0.00 N ATOM 1326 NH2 ARG A 85 12.084 -6.060 -10.584 1.00 0.00 N ATOM 0 H ARG A 85 5.975 0.473 -10.935 1.00 0.00 H new ATOM 0 HA ARG A 85 7.528 -1.675 -12.064 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.952 -0.850 -10.138 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.622 -1.217 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.790 -3.176 -8.843 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.790 -3.620 -10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.584 -3.053 -11.778 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.573 -2.419 -10.477 1.00 0.00 H new ATOM 0 HE ARG A 85 9.794 -5.221 -10.093 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.118 -2.981 -11.525 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.414 -4.181 -11.583 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.463 -6.756 -10.172 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.044 -6.310 -10.821 1.00 0.00 H new ATOM 1340 N THR A 86 5.719 -3.267 -11.319 1.00 0.00 N ATOM 1341 CA THR A 86 4.530 -4.084 -11.114 1.00 0.00 C ATOM 1342 C THR A 86 4.797 -5.205 -10.116 1.00 0.00 C ATOM 1343 O THR A 86 5.728 -5.993 -10.288 1.00 0.00 O ATOM 1344 CB THR A 86 4.035 -4.697 -12.437 1.00 0.00 C ATOM 1345 OG1 THR A 86 3.573 -3.664 -13.314 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.913 -5.694 -12.186 1.00 0.00 C ATOM 0 H THR A 86 6.463 -3.730 -11.841 1.00 0.00 H new ATOM 0 HA THR A 86 3.759 -3.424 -10.716 1.00 0.00 H new ATOM 0 HB THR A 86 4.869 -5.222 -12.902 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.748 -3.955 -13.756 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.580 -6.114 -13.135 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.276 -6.495 -11.542 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.079 -5.188 -11.700 1.00 0.00 H new ATOM 1354 N TYR A 87 3.976 -5.272 -9.074 1.00 0.00 N ATOM 1355 CA TYR A 87 4.126 -6.296 -8.048 1.00 0.00 C ATOM 1356 C TYR A 87 3.031 -7.352 -8.168 1.00 0.00 C ATOM 1357 O TYR A 87 1.994 -7.120 -8.790 1.00 0.00 O ATOM 1358 CB TYR A 87 4.088 -5.663 -6.656 1.00 0.00 C ATOM 1359 CG TYR A 87 5.251 -4.736 -6.381 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.421 -3.567 -7.113 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.179 -5.029 -5.390 1.00 0.00 C ATOM 1362 CE1 TYR A 87 6.482 -2.718 -6.866 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.242 -4.185 -5.135 1.00 0.00 C ATOM 1364 CZ TYR A 87 7.390 -3.031 -5.875 1.00 0.00 C ATOM 1365 OH TYR A 87 8.448 -2.188 -5.625 1.00 0.00 O ATOM 0 H TYR A 87 3.200 -4.629 -8.918 1.00 0.00 H new ATOM 0 HA TYR A 87 5.091 -6.781 -8.193 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.157 -5.107 -6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.079 -6.454 -5.906 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.711 -3.318 -7.888 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.067 -5.932 -4.809 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.600 -1.814 -7.445 1.00 0.00 H new ATOM 0 HE2 TYR A 87 7.954 -4.428 -4.360 1.00 0.00 H new ATOM 0 HH TYR A 87 8.992 -2.553 -4.896 1.00 0.00 H new ATOM 1375 N PHE A 88 3.270 -8.513 -7.567 1.00 0.00 N ATOM 1376 CA PHE A 88 2.305 -9.606 -7.606 1.00 0.00 C ATOM 1377 C PHE A 88 2.302 -10.376 -6.289 1.00 0.00 C ATOM 1378 O PHE A 88 3.358 -10.719 -5.755 1.00 0.00 O ATOM 1379 CB PHE A 88 2.624 -10.555 -8.764 1.00 0.00 C ATOM 1380 CG PHE A 88 2.368 -9.956 -10.117 1.00 0.00 C ATOM 1381 CD1 PHE A 88 1.089 -9.933 -10.649 1.00 0.00 C ATOM 1382 CD2 PHE A 88 3.407 -9.417 -10.858 1.00 0.00 C ATOM 1383 CE1 PHE A 88 0.849 -9.383 -11.894 1.00 0.00 C ATOM 1384 CE2 PHE A 88 3.174 -8.864 -12.104 1.00 0.00 C ATOM 1385 CZ PHE A 88 1.894 -8.848 -12.622 1.00 0.00 C ATOM 0 H PHE A 88 4.123 -8.721 -7.048 1.00 0.00 H new ATOM 0 HA PHE A 88 1.314 -9.178 -7.758 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.670 -10.855 -8.700 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.026 -11.460 -8.657 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.269 -10.350 -10.084 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.410 -9.429 -10.458 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.153 -9.372 -12.297 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.992 -8.445 -12.671 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.710 -8.418 -13.595 1.00 0.00 H new ATOM 1395 N PHE A 89 1.109 -10.645 -5.770 1.00 0.00 N ATOM 1396 CA PHE A 89 0.967 -11.373 -4.514 1.00 0.00 C ATOM 1397 C PHE A 89 -0.085 -12.471 -4.638 1.00 0.00 C ATOM 1398 O PHE A 89 -1.120 -12.285 -5.277 1.00 0.00 O ATOM 1399 CB PHE A 89 0.589 -10.413 -3.384 1.00 0.00 C ATOM 1400 CG PHE A 89 1.516 -9.238 -3.260 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.780 -9.390 -2.713 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.124 -7.981 -3.690 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.634 -8.310 -2.597 1.00 0.00 C ATOM 1404 CE2 PHE A 89 1.974 -6.897 -3.577 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.231 -7.062 -3.031 1.00 0.00 C ATOM 0 H PHE A 89 0.226 -10.370 -6.200 1.00 0.00 H new ATOM 0 HA PHE A 89 1.925 -11.837 -4.281 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.425 -10.050 -3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.580 -10.960 -2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.101 -10.364 -2.373 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.142 -7.846 -4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.616 -8.441 -2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.655 -5.922 -3.915 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.898 -6.217 -2.943 1.00 0.00 H new ATOM 1415 N SER A 90 0.189 -13.616 -4.021 1.00 0.00 N ATOM 1416 CA SER A 90 -0.731 -14.747 -4.065 1.00 0.00 C ATOM 1417 C SER A 90 -1.212 -15.111 -2.664 1.00 0.00 C ATOM 1418 O SER A 90 -0.409 -15.382 -1.771 1.00 0.00 O ATOM 1419 CB SER A 90 -0.056 -15.956 -4.715 1.00 0.00 C ATOM 1420 OG SER A 90 -0.862 -17.116 -4.595 1.00 0.00 O ATOM 0 H SER A 90 1.040 -13.785 -3.485 1.00 0.00 H new ATOM 0 HA SER A 90 -1.595 -14.457 -4.663 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.133 -15.748 -5.768 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.912 -16.132 -4.246 1.00 0.00 H new ATOM 0 HG SER A 90 -1.579 -17.087 -5.262 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.528 -15.114 -2.479 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.117 -15.446 -1.188 1.00 0.00 C ATOM 1428 C ALA A 91 -3.450 -16.931 -1.102 1.00 0.00 C ATOM 1429 O ALA A 91 -3.847 -17.545 -2.092 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.364 -14.608 -0.945 1.00 0.00 C ATOM 0 H ALA A 91 -3.206 -14.890 -3.207 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.384 -15.220 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.793 -14.867 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.099 -13.551 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.094 -14.806 -1.730 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.286 -17.503 0.087 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.568 -18.917 0.300 1.00 0.00 C ATOM 1438 C GLU A 92 -5.069 -19.187 0.245 1.00 0.00 C ATOM 1439 O GLU A 92 -5.500 -20.297 -0.065 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.005 -19.375 1.647 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.501 -19.202 1.769 1.00 0.00 C ATOM 1442 CD GLU A 92 -0.869 -20.221 2.697 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -1.153 -21.426 2.537 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -0.090 -19.813 3.584 1.00 0.00 O ATOM 0 H GLU A 92 -2.959 -17.008 0.917 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.086 -19.481 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.492 -18.814 2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.255 -20.425 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.048 -19.286 0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.283 -18.199 2.135 1.00 0.00 H new ATOM 1451 N SER A 93 -5.860 -18.163 0.549 1.00 0.00 N ATOM 1452 CA SER A 93 -7.312 -18.289 0.539 1.00 0.00 C ATOM 1453 C SER A 93 -7.951 -17.160 -0.264 1.00 0.00 C ATOM 1454 O SER A 93 -7.425 -16.050 -0.348 1.00 0.00 O ATOM 1455 CB SER A 93 -7.856 -18.283 1.969 1.00 0.00 C ATOM 1456 OG SER A 93 -9.199 -17.832 2.003 1.00 0.00 O ATOM 0 H SER A 93 -5.519 -17.236 0.805 1.00 0.00 H new ATOM 0 HA SER A 93 -7.565 -19.237 0.065 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.796 -19.287 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.237 -17.639 2.594 1.00 0.00 H new ATOM 0 HG SER A 93 -9.623 -18.130 2.835 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.112 -17.449 -0.869 1.00 0.00 N ATOM 1463 CA PRO A 94 -9.848 -16.471 -1.676 1.00 0.00 C ATOM 1464 C PRO A 94 -10.454 -15.358 -0.829 1.00 0.00 C ATOM 1465 O PRO A 94 -10.944 -14.360 -1.357 1.00 0.00 O ATOM 1466 CB PRO A 94 -10.952 -17.309 -2.328 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.148 -18.461 -1.404 1.00 0.00 C ATOM 1468 CD PRO A 94 -9.796 -18.751 -0.812 1.00 0.00 C ATOM 0 HA PRO A 94 -9.201 -15.963 -2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.870 -16.733 -2.443 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.659 -17.645 -3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.871 -18.218 -0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.534 -19.329 -1.939 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -9.876 -19.118 0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.262 -19.511 -1.383 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.417 -15.536 0.488 1.00 0.00 N ATOM 1477 CA GLU A 95 -10.963 -14.545 1.408 1.00 0.00 C ATOM 1478 C GLU A 95 -9.931 -13.466 1.721 1.00 0.00 C ATOM 1479 O GLU A 95 -10.283 -12.339 2.068 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.422 -15.218 2.704 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.312 -15.390 3.727 1.00 0.00 C ATOM 1482 CD GLU A 95 -10.612 -16.481 4.736 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -11.493 -17.321 4.456 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -9.967 -16.495 5.805 1.00 0.00 O ATOM 0 H GLU A 95 -10.015 -16.357 0.941 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.821 -14.075 0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.224 -14.627 3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.841 -16.196 2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.381 -15.624 3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.158 -14.447 4.252 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.656 -13.820 1.595 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.573 -12.882 1.865 1.00 0.00 C ATOM 1493 C GLU A 96 -7.300 -12.000 0.649 1.00 0.00 C ATOM 1494 O GLU A 96 -7.161 -10.784 0.772 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.301 -13.636 2.257 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.256 -14.033 3.723 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.423 -15.277 3.965 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -4.512 -15.547 3.155 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -5.682 -15.980 4.964 1.00 0.00 O ATOM 0 H GLU A 96 -8.348 -14.749 1.308 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.879 -12.244 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.217 -14.533 1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.435 -13.013 2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.848 -13.208 4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.271 -14.205 4.080 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.225 -12.624 -0.522 1.00 0.00 N ATOM 1507 CA GLN A 97 -6.968 -11.897 -1.759 1.00 0.00 C ATOM 1508 C GLN A 97 -7.791 -10.615 -1.818 1.00 0.00 C ATOM 1509 O GLN A 97 -7.241 -9.515 -1.856 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.287 -12.778 -2.969 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.212 -12.039 -4.295 1.00 0.00 C ATOM 1512 CD GLN A 97 -8.006 -12.724 -5.390 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -9.040 -13.342 -5.130 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -7.527 -12.619 -6.624 1.00 0.00 N ATOM 0 H GLN A 97 -7.339 -13.631 -0.640 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.911 -11.630 -1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.592 -13.617 -2.990 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.287 -13.195 -2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.585 -11.023 -4.162 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.170 -11.958 -4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.667 -12.098 -6.795 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.019 -13.060 -7.401 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.112 -10.765 -1.826 1.00 0.00 N ATOM 1524 CA GLU A 98 -10.010 -9.618 -1.881 1.00 0.00 C ATOM 1525 C GLU A 98 -9.686 -8.619 -0.774 1.00 0.00 C ATOM 1526 O GLU A 98 -9.415 -7.448 -1.039 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.466 -10.075 -1.761 1.00 0.00 C ATOM 1528 CG GLU A 98 -11.873 -11.092 -2.814 1.00 0.00 C ATOM 1529 CD GLU A 98 -13.264 -11.649 -2.579 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -14.116 -10.911 -2.042 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -13.499 -12.823 -2.934 1.00 0.00 O ATOM 0 H GLU A 98 -9.583 -11.669 -1.795 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.870 -9.126 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.622 -10.506 -0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.119 -9.205 -1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.834 -10.626 -3.799 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.154 -11.911 -2.820 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.718 -9.090 0.468 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.426 -8.240 1.616 1.00 0.00 C ATOM 1540 C ALA A 99 -8.194 -7.379 1.362 1.00 0.00 C ATOM 1541 O ALA A 99 -8.205 -6.174 1.616 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.232 -9.088 2.864 1.00 0.00 C ATOM 0 H ALA A 99 -9.943 -10.056 0.705 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.276 -7.575 1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -9.015 -8.441 3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.141 -9.655 3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.401 -9.776 2.711 1.00 0.00 H new ATOM 1548 N TRP A 100 -7.135 -8.003 0.860 1.00 0.00 N ATOM 1549 CA TRP A 100 -5.894 -7.292 0.572 1.00 0.00 C ATOM 1550 C TRP A 100 -6.115 -6.218 -0.487 1.00 0.00 C ATOM 1551 O TRP A 100 -5.815 -5.044 -0.265 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.817 -8.272 0.105 1.00 0.00 C ATOM 1553 CG TRP A 100 -4.082 -8.930 1.234 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.264 -10.201 1.700 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -3.051 -8.349 2.039 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.408 -10.444 2.747 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.652 -9.324 2.974 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.424 -7.100 2.060 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.657 -9.087 3.918 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.436 -6.867 2.998 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -1.060 -7.856 3.916 1.00 0.00 C ATOM 0 H TRP A 100 -7.110 -9.000 0.644 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.561 -6.808 1.490 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.279 -9.040 -0.515 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.102 -7.742 -0.524 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.976 -10.910 1.304 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.345 -11.317 3.271 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.706 -6.331 1.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.366 -9.848 4.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.945 -5.905 3.024 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.284 -7.643 4.636 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.642 -6.626 -1.636 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.904 -5.697 -2.729 1.00 0.00 C ATOM 1574 C ILE A 101 -7.578 -4.427 -2.220 1.00 0.00 C ATOM 1575 O ILE A 101 -7.342 -3.337 -2.740 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.791 -6.338 -3.812 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -7.086 -7.547 -4.430 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.138 -5.316 -4.885 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -7.956 -8.329 -5.389 1.00 0.00 C ATOM 0 H ILE A 101 -6.896 -7.594 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.939 -5.443 -3.166 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.717 -6.679 -3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.194 -7.207 -4.956 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.752 -8.210 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.765 -5.784 -5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.676 -4.482 -4.433 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.222 -4.949 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.391 -9.171 -5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.836 -8.699 -4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.269 -7.681 -6.208 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.418 -4.577 -1.201 1.00 0.00 N ATOM 1592 CA GLN A 102 -9.126 -3.442 -0.622 1.00 0.00 C ATOM 1593 C GLN A 102 -8.283 -2.765 0.454 1.00 0.00 C ATOM 1594 O GLN A 102 -8.268 -1.540 0.566 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.462 -3.895 -0.029 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.278 -4.769 -0.968 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.761 -4.734 -0.655 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -13.341 -3.665 -0.460 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.384 -5.905 -0.607 1.00 0.00 N ATOM 0 H GLN A 102 -8.625 -5.473 -0.760 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.315 -2.721 -1.417 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.273 -4.444 0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -11.049 -3.016 0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -11.119 -4.440 -1.995 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -10.921 -5.797 -0.904 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -12.864 -6.766 -0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.382 -5.943 -0.402 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.581 -3.572 1.243 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.734 -3.051 2.309 1.00 0.00 C ATOM 1610 C ALA A 103 -5.592 -2.215 1.742 1.00 0.00 C ATOM 1611 O ALA A 103 -5.470 -1.028 2.045 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.186 -4.192 3.153 1.00 0.00 C ATOM 0 H ALA A 103 -7.582 -4.589 1.164 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.344 -2.406 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.555 -3.788 3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.013 -4.747 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.596 -4.859 2.524 1.00 0.00 H new ATOM 1618 N MET A 104 -4.756 -2.841 0.920 1.00 0.00 N ATOM 1619 CA MET A 104 -3.624 -2.153 0.312 1.00 0.00 C ATOM 1620 C MET A 104 -4.089 -1.219 -0.801 1.00 0.00 C ATOM 1621 O MET A 104 -3.450 -0.206 -1.082 1.00 0.00 O ATOM 1622 CB MET A 104 -2.622 -3.167 -0.244 1.00 0.00 C ATOM 1623 CG MET A 104 -3.068 -3.811 -1.547 1.00 0.00 C ATOM 1624 SD MET A 104 -1.766 -4.789 -2.320 1.00 0.00 S ATOM 1625 CE MET A 104 -1.168 -5.726 -0.916 1.00 0.00 C ATOM 0 H MET A 104 -4.842 -3.824 0.660 1.00 0.00 H new ATOM 0 HA MET A 104 -3.137 -1.557 1.083 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.665 -2.670 -0.403 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.457 -3.947 0.499 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.931 -4.449 -1.356 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.393 -3.034 -2.239 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.381 -6.406 -1.241 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.770 -5.043 -0.166 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.989 -6.300 -0.485 1.00 0.00 H new ATOM 1635 N GLY A 105 -5.207 -1.567 -1.431 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.738 -0.749 -2.505 1.00 0.00 C ATOM 1637 C GLY A 105 -6.064 0.662 -2.054 1.00 0.00 C ATOM 1638 O GLY A 105 -5.672 1.632 -2.700 1.00 0.00 O ATOM 0 H GLY A 105 -5.754 -2.401 -1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.014 -0.709 -3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.639 -1.217 -2.903 1.00 0.00 H new ATOM 1642 N GLU A 106 -6.784 0.774 -0.942 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.164 2.076 -0.408 1.00 0.00 C ATOM 1644 C GLU A 106 -5.930 2.919 -0.098 1.00 0.00 C ATOM 1645 O GLU A 106 -5.853 4.088 -0.473 1.00 0.00 O ATOM 1646 CB GLU A 106 -8.009 1.907 0.857 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.189 1.858 2.135 1.00 0.00 C ATOM 1648 CD GLU A 106 -8.051 1.742 3.377 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -9.201 1.270 3.260 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -7.575 2.125 4.466 1.00 0.00 O ATOM 0 H GLU A 106 -7.115 -0.020 -0.394 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.755 2.591 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.719 2.732 0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.592 0.990 0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.505 1.010 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.577 2.758 2.205 1.00 0.00 H new ATOM 1657 N ALA A 107 -4.966 2.315 0.589 1.00 0.00 N ATOM 1658 CA ALA A 107 -3.734 3.007 0.948 1.00 0.00 C ATOM 1659 C ALA A 107 -3.179 3.789 -0.238 1.00 0.00 C ATOM 1660 O ALA A 107 -2.573 4.847 -0.067 1.00 0.00 O ATOM 1661 CB ALA A 107 -2.700 2.015 1.459 1.00 0.00 C ATOM 0 H ALA A 107 -5.014 1.347 0.908 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.963 3.717 1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.786 2.546 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.090 1.504 2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.483 1.283 0.681 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.388 3.262 -1.439 1.00 0.00 N ATOM 1668 CA ALA A 108 -2.910 3.912 -2.653 1.00 0.00 C ATOM 1669 C ALA A 108 -3.767 5.124 -3.001 1.00 0.00 C ATOM 1670 O ALA A 108 -3.247 6.178 -3.367 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.894 2.923 -3.810 1.00 0.00 C ATOM 0 H ALA A 108 -3.886 2.386 -1.598 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.893 4.260 -2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.535 3.422 -4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.233 2.091 -3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.903 2.547 -3.981 1.00 0.00 H new ATOM 1677 N ARG A 109 -5.081 4.966 -2.886 1.00 0.00 N ATOM 1678 CA ARG A 109 -6.010 6.048 -3.191 1.00 0.00 C ATOM 1679 C ARG A 109 -5.716 7.275 -2.333 1.00 0.00 C ATOM 1680 O ARG A 109 -5.103 7.171 -1.271 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.452 5.589 -2.965 1.00 0.00 C ATOM 1682 CG ARG A 109 -8.090 4.961 -4.194 1.00 0.00 C ATOM 1683 CD ARG A 109 -9.234 4.033 -3.815 1.00 0.00 C ATOM 1684 NE ARG A 109 -10.485 4.760 -3.613 1.00 0.00 N ATOM 1685 CZ ARG A 109 -11.209 5.266 -4.605 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -10.809 5.124 -5.861 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -12.336 5.914 -4.341 1.00 0.00 N ATOM 0 H ARG A 109 -5.527 4.100 -2.584 1.00 0.00 H new ATOM 0 HA ARG A 109 -5.881 6.319 -4.239 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.471 4.868 -2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.052 6.443 -2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -8.460 5.745 -4.854 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.337 4.404 -4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.371 3.287 -4.598 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -8.977 3.494 -2.903 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.821 4.886 -2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -9.944 4.625 -6.067 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.367 5.513 -6.621 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.647 6.024 -3.376 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.892 6.302 -5.103 1.00 0.00 H new ATOM 1701 N VAL A 110 -6.156 8.438 -2.802 1.00 0.00 N ATOM 1702 CA VAL A 110 -5.941 9.685 -2.079 1.00 0.00 C ATOM 1703 C VAL A 110 -7.259 10.409 -1.827 1.00 0.00 C ATOM 1704 O VAL A 110 -8.181 10.341 -2.640 1.00 0.00 O ATOM 1705 CB VAL A 110 -4.992 10.623 -2.848 1.00 0.00 C ATOM 1706 CG1 VAL A 110 -5.599 11.019 -4.185 1.00 0.00 C ATOM 1707 CG2 VAL A 110 -4.669 11.854 -2.014 1.00 0.00 C ATOM 0 H VAL A 110 -6.664 8.542 -3.680 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.486 9.422 -1.124 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.062 10.090 -3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.914 11.682 -4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -5.774 10.125 -4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -6.545 11.534 -4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.997 12.506 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.590 12.391 -1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.188 11.548 -1.085 1.00 0.00 H new ATOM 1717 N GLN A 111 -7.340 11.103 -0.696 1.00 0.00 N ATOM 1718 CA GLN A 111 -8.546 11.840 -0.337 1.00 0.00 C ATOM 1719 C GLN A 111 -9.726 10.892 -0.144 1.00 0.00 C ATOM 1720 O GLN A 111 -10.818 11.132 -0.658 1.00 0.00 O ATOM 1721 CB GLN A 111 -8.878 12.872 -1.416 1.00 0.00 C ATOM 1722 CG GLN A 111 -9.793 13.985 -0.931 1.00 0.00 C ATOM 1723 CD GLN A 111 -10.240 14.903 -2.052 1.00 0.00 C ATOM 1724 OE1 GLN A 111 -9.606 14.969 -3.106 1.00 0.00 O ATOM 1725 NE2 GLN A 111 -11.337 15.618 -1.831 1.00 0.00 N ATOM 0 H GLN A 111 -6.585 11.170 -0.013 1.00 0.00 H new ATOM 0 HA GLN A 111 -8.360 12.356 0.605 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -7.951 13.310 -1.786 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -9.350 12.366 -2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -10.670 13.547 -0.453 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -9.275 14.571 -0.171 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -11.831 15.532 -0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -11.685 16.253 -2.549 1.00 0.00 H new ATOM 1734 N SER A 112 -9.497 9.815 0.600 1.00 0.00 N ATOM 1735 CA SER A 112 -10.540 8.829 0.858 1.00 0.00 C ATOM 1736 C SER A 112 -10.500 8.363 2.311 1.00 0.00 C ATOM 1737 O SER A 112 -9.432 8.099 2.861 1.00 0.00 O ATOM 1738 CB SER A 112 -10.380 7.629 -0.078 1.00 0.00 C ATOM 1739 OG SER A 112 -10.947 7.895 -1.349 1.00 0.00 O ATOM 0 H SER A 112 -8.599 9.603 1.035 1.00 0.00 H new ATOM 0 HA SER A 112 -11.505 9.300 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 112 -9.322 7.390 -0.191 1.00 0.00 H new ATOM 0 HB3 SER A 112 -10.859 6.754 0.362 1.00 0.00 H new ATOM 0 HG SER A 112 -10.830 7.114 -1.929 1.00 0.00 H new ATOM 1745 N GLY A 113 -11.674 8.266 2.927 1.00 0.00 N ATOM 1746 CA GLY A 113 -11.753 7.833 4.310 1.00 0.00 C ATOM 1747 C GLY A 113 -12.102 8.966 5.253 1.00 0.00 C ATOM 1748 O GLY A 113 -12.703 9.967 4.861 1.00 0.00 O ATOM 0 H GLY A 113 -12.572 8.480 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.502 7.047 4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.798 7.399 4.607 1.00 0.00 H new ATOM 1752 N PRO A 114 -11.721 8.816 6.531 1.00 0.00 N ATOM 1753 CA PRO A 114 -11.988 9.826 7.560 1.00 0.00 C ATOM 1754 C PRO A 114 -11.161 11.091 7.360 1.00 0.00 C ATOM 1755 O PRO A 114 -11.485 12.148 7.899 1.00 0.00 O ATOM 1756 CB PRO A 114 -11.585 9.123 8.859 1.00 0.00 C ATOM 1757 CG PRO A 114 -10.585 8.101 8.442 1.00 0.00 C ATOM 1758 CD PRO A 114 -11.001 7.650 7.069 1.00 0.00 C ATOM 0 HA PRO A 114 -13.025 10.160 7.544 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -11.158 9.826 9.574 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -12.446 8.661 9.342 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -9.580 8.522 8.426 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -10.569 7.264 9.140 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -10.140 7.390 6.453 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -11.640 6.768 7.112 1.00 0.00 H new ATOM 1766 N SER A 115 -10.090 10.975 6.581 1.00 0.00 N ATOM 1767 CA SER A 115 -9.213 12.109 6.312 1.00 0.00 C ATOM 1768 C SER A 115 -9.886 13.104 5.372 1.00 0.00 C ATOM 1769 O SER A 115 -10.293 12.752 4.265 1.00 0.00 O ATOM 1770 CB SER A 115 -7.894 11.628 5.705 1.00 0.00 C ATOM 1771 OG SER A 115 -7.285 10.644 6.523 1.00 0.00 O ATOM 0 H SER A 115 -9.809 10.107 6.125 1.00 0.00 H new ATOM 0 HA SER A 115 -9.007 12.611 7.258 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.075 11.218 4.711 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.217 12.473 5.582 1.00 0.00 H new ATOM 0 HG SER A 115 -6.445 10.352 6.112 1.00 0.00 H new ATOM 1777 N SER A 116 -9.998 14.350 5.821 1.00 0.00 N ATOM 1778 CA SER A 116 -10.625 15.397 5.023 1.00 0.00 C ATOM 1779 C SER A 116 -9.599 16.084 4.126 1.00 0.00 C ATOM 1780 O SER A 116 -9.891 17.098 3.493 1.00 0.00 O ATOM 1781 CB SER A 116 -11.296 16.428 5.932 1.00 0.00 C ATOM 1782 OG SER A 116 -10.373 16.964 6.864 1.00 0.00 O ATOM 0 H SER A 116 -9.663 14.659 6.733 1.00 0.00 H new ATOM 0 HA SER A 116 -11.382 14.933 4.391 1.00 0.00 H new ATOM 0 HB2 SER A 116 -11.715 17.232 5.327 1.00 0.00 H new ATOM 0 HB3 SER A 116 -12.126 15.963 6.464 1.00 0.00 H new ATOM 0 HG SER A 116 -10.826 17.622 7.432 1.00 0.00 H new ATOM 1788 N GLY A 117 -8.394 15.523 4.079 1.00 0.00 N ATOM 1789 CA GLY A 117 -7.342 16.094 3.258 1.00 0.00 C ATOM 1790 C GLY A 117 -6.315 15.063 2.833 1.00 0.00 C ATOM 1791 O GLY A 117 -6.309 13.940 3.335 1.00 0.00 O ATOM 0 H GLY A 117 -8.128 14.684 4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -7.784 16.549 2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -6.845 16.891 3.812 1.00 0.00 H new TER 1795 GLY A 117