USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 483 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 42 MET CE :methyl -133:sc= -1.19 (180deg=-2.2) USER MOD Set 1.2: A 46 MET CE :methyl -124:sc= -2.71! (180deg=-8.48!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.546 X(o=-0.55,f=-0.14) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 110:sc= -4.65 USER MOD Single : A 28 LYS NZ :NH3+ 149:sc= 0.00101 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -83:sc= 1.12 USER MOD Single : A 35 ASN : amide:sc= -0.466 K(o=-0.47,f=-2) USER MOD Single : A 36 SER OG : rot 28:sc= 0.0255 USER MOD Single : A 43 ASN : amide:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -16! C(o=-16!,f=-17!) USER MOD Single : A 49 MET CE :methyl -171:sc= 0 (180deg=-0.108) USER MOD Single : A 56 ASN : amide:sc= -1.22 K(o=-1.2,f=-4.3!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 34:sc= 0.00207 USER MOD Single : A 73 SER OG : rot 57:sc= 0.923 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.624 25.557 -3.540 1.00 0.00 N ATOM 2 CA GLY A 1 6.882 25.439 -4.257 1.00 0.00 C ATOM 3 C GLY A 1 7.605 24.142 -3.886 1.00 0.00 C ATOM 4 O GLY A 1 7.079 23.051 -4.099 1.00 0.00 O ATOM 0 H1 GLY A 1 5.153 26.444 -3.809 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.010 24.753 -3.781 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.807 25.558 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.696 25.462 -5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.518 26.293 -4.026 1.00 0.00 H new ATOM 8 N SER A 2 8.799 24.304 -3.336 1.00 0.00 N ATOM 9 CA SER A 2 9.600 23.160 -2.933 1.00 0.00 C ATOM 10 C SER A 2 8.993 22.511 -1.688 1.00 0.00 C ATOM 11 O SER A 2 8.580 23.204 -0.760 1.00 0.00 O ATOM 12 CB SER A 2 11.050 23.569 -2.666 1.00 0.00 C ATOM 13 OG SER A 2 11.976 22.705 -3.319 1.00 0.00 O ATOM 0 H SER A 2 9.232 25.211 -3.160 1.00 0.00 H new ATOM 0 HA SER A 2 9.600 22.437 -3.749 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.207 24.593 -3.006 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.238 23.558 -1.592 1.00 0.00 H new ATOM 0 HG SER A 2 12.890 23.000 -3.126 1.00 0.00 H new ATOM 19 N SER A 3 8.960 21.186 -1.707 1.00 0.00 N ATOM 20 CA SER A 3 8.412 20.435 -0.591 1.00 0.00 C ATOM 21 C SER A 3 9.536 20.001 0.351 1.00 0.00 C ATOM 22 O SER A 3 9.519 20.329 1.536 1.00 0.00 O ATOM 23 CB SER A 3 7.629 19.214 -1.080 1.00 0.00 C ATOM 24 OG SER A 3 6.266 19.254 -0.668 1.00 0.00 O ATOM 0 H SER A 3 9.304 20.614 -2.478 1.00 0.00 H new ATOM 0 HA SER A 3 7.723 21.083 -0.049 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.678 19.164 -2.168 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.097 18.307 -0.698 1.00 0.00 H new ATOM 0 HG SER A 3 5.800 18.459 -1.001 1.00 0.00 H new ATOM 30 N GLY A 4 10.488 19.271 -0.212 1.00 0.00 N ATOM 31 CA GLY A 4 11.619 18.789 0.564 1.00 0.00 C ATOM 32 C GLY A 4 11.722 17.265 0.493 1.00 0.00 C ATOM 33 O GLY A 4 11.704 16.687 -0.594 1.00 0.00 O ATOM 0 H GLY A 4 10.500 19.002 -1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.539 19.237 0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.512 19.102 1.603 1.00 0.00 H new ATOM 37 N SER A 5 11.829 16.655 1.664 1.00 0.00 N ATOM 38 CA SER A 5 11.936 15.209 1.749 1.00 0.00 C ATOM 39 C SER A 5 10.681 14.629 2.405 1.00 0.00 C ATOM 40 O SER A 5 10.046 15.287 3.227 1.00 0.00 O ATOM 41 CB SER A 5 13.183 14.793 2.530 1.00 0.00 C ATOM 42 OG SER A 5 13.754 13.590 2.024 1.00 0.00 O ATOM 0 H SER A 5 11.844 17.137 2.563 1.00 0.00 H new ATOM 0 HA SER A 5 12.026 14.813 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.923 15.592 2.484 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.924 14.658 3.580 1.00 0.00 H new ATOM 0 HG SER A 5 14.549 13.359 2.549 1.00 0.00 H new ATOM 48 N SER A 6 10.362 13.403 2.016 1.00 0.00 N ATOM 49 CA SER A 6 9.194 12.727 2.556 1.00 0.00 C ATOM 50 C SER A 6 7.945 13.582 2.333 1.00 0.00 C ATOM 51 O SER A 6 7.676 14.506 3.099 1.00 0.00 O ATOM 52 CB SER A 6 9.372 12.426 4.046 1.00 0.00 C ATOM 53 OG SER A 6 10.231 11.311 4.266 1.00 0.00 O ATOM 0 H SER A 6 10.892 12.860 1.334 1.00 0.00 H new ATOM 0 HA SER A 6 9.075 11.778 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.781 13.303 4.547 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.399 12.228 4.495 1.00 0.00 H new ATOM 0 HG SER A 6 10.321 11.152 5.229 1.00 0.00 H new ATOM 59 N GLY A 7 7.215 13.243 1.281 1.00 0.00 N ATOM 60 CA GLY A 7 6.000 13.967 0.948 1.00 0.00 C ATOM 61 C GLY A 7 4.867 13.003 0.590 1.00 0.00 C ATOM 62 O GLY A 7 4.689 12.656 -0.577 1.00 0.00 O ATOM 0 H GLY A 7 7.442 12.476 0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.700 14.589 1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.190 14.637 0.110 1.00 0.00 H new ATOM 66 N LEU A 8 4.131 12.599 1.615 1.00 0.00 N ATOM 67 CA LEU A 8 3.021 11.682 1.423 1.00 0.00 C ATOM 68 C LEU A 8 1.703 12.448 1.557 1.00 0.00 C ATOM 69 O LEU A 8 1.692 13.601 1.987 1.00 0.00 O ATOM 70 CB LEU A 8 3.139 10.491 2.375 1.00 0.00 C ATOM 71 CG LEU A 8 3.167 9.108 1.720 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.380 8.962 0.800 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.110 8.001 2.775 1.00 0.00 C ATOM 0 H LEU A 8 4.282 12.890 2.581 1.00 0.00 H new ATOM 0 HA LEU A 8 3.045 11.261 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.049 10.611 2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.302 10.524 3.072 1.00 0.00 H new ATOM 0 HG LEU A 8 2.278 9.006 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.376 7.970 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.336 9.719 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.294 9.093 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.131 7.028 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.968 8.089 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.190 8.096 3.352 1.00 0.00 H new ATOM 85 N ASP A 9 0.625 11.778 1.180 1.00 0.00 N ATOM 86 CA ASP A 9 -0.695 12.381 1.252 1.00 0.00 C ATOM 87 C ASP A 9 -1.713 11.321 1.677 1.00 0.00 C ATOM 88 O ASP A 9 -2.004 10.396 0.920 1.00 0.00 O ATOM 89 CB ASP A 9 -1.125 12.931 -0.109 1.00 0.00 C ATOM 90 CG ASP A 9 -1.690 14.353 -0.083 1.00 0.00 C ATOM 91 OD1 ASP A 9 -1.050 15.206 0.568 1.00 0.00 O ATOM 92 OD2 ASP A 9 -2.750 14.554 -0.715 1.00 0.00 O ATOM 0 H ASP A 9 0.638 10.822 0.823 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.653 13.197 1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.267 12.910 -0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.877 12.265 -0.532 1.00 0.00 H new ATOM 97 N GLU A 10 -2.228 11.491 2.886 1.00 0.00 N ATOM 98 CA GLU A 10 -3.208 10.560 3.420 1.00 0.00 C ATOM 99 C GLU A 10 -4.449 10.525 2.526 1.00 0.00 C ATOM 100 O GLU A 10 -5.019 9.461 2.291 1.00 0.00 O ATOM 101 CB GLU A 10 -3.579 10.921 4.860 1.00 0.00 C ATOM 102 CG GLU A 10 -4.234 12.302 4.927 1.00 0.00 C ATOM 103 CD GLU A 10 -4.509 12.708 6.377 1.00 0.00 C ATOM 104 OE1 GLU A 10 -5.392 12.067 6.987 1.00 0.00 O ATOM 105 OE2 GLU A 10 -3.831 13.649 6.841 1.00 0.00 O ATOM 0 H GLU A 10 -1.985 12.260 3.511 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.765 9.564 3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.260 10.171 5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.685 10.908 5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.585 13.040 4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.168 12.293 4.364 1.00 0.00 H new ATOM 112 N SER A 11 -4.831 11.702 2.052 1.00 0.00 N ATOM 113 CA SER A 11 -5.994 11.819 1.189 1.00 0.00 C ATOM 114 C SER A 11 -5.963 10.728 0.117 1.00 0.00 C ATOM 115 O SER A 11 -6.989 10.122 -0.186 1.00 0.00 O ATOM 116 CB SER A 11 -6.058 13.202 0.536 1.00 0.00 C ATOM 117 OG SER A 11 -6.062 14.249 1.503 1.00 0.00 O ATOM 0 H SER A 11 -4.356 12.583 2.249 1.00 0.00 H new ATOM 0 HA SER A 11 -6.887 11.693 1.801 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.205 13.328 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.956 13.272 -0.078 1.00 0.00 H new ATOM 0 HG SER A 11 -6.102 15.115 1.047 1.00 0.00 H new ATOM 123 N VAL A 12 -4.774 10.510 -0.426 1.00 0.00 N ATOM 124 CA VAL A 12 -4.596 9.502 -1.457 1.00 0.00 C ATOM 125 C VAL A 12 -4.805 8.114 -0.849 1.00 0.00 C ATOM 126 O VAL A 12 -5.614 7.330 -1.344 1.00 0.00 O ATOM 127 CB VAL A 12 -3.226 9.665 -2.117 1.00 0.00 C ATOM 128 CG1 VAL A 12 -2.936 8.505 -3.072 1.00 0.00 C ATOM 129 CG2 VAL A 12 -3.121 11.009 -2.840 1.00 0.00 C ATOM 0 H VAL A 12 -3.925 11.014 -0.171 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.339 9.627 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.472 9.648 -1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.956 8.645 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.947 7.566 -2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.698 8.476 -3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.137 11.099 -3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.889 11.068 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.262 11.819 -2.124 1.00 0.00 H new ATOM 139 N ILE A 13 -4.062 7.852 0.216 1.00 0.00 N ATOM 140 CA ILE A 13 -4.156 6.572 0.898 1.00 0.00 C ATOM 141 C ILE A 13 -5.630 6.226 1.125 1.00 0.00 C ATOM 142 O ILE A 13 -6.081 5.144 0.754 1.00 0.00 O ATOM 143 CB ILE A 13 -3.323 6.585 2.181 1.00 0.00 C ATOM 144 CG1 ILE A 13 -1.838 6.782 1.869 1.00 0.00 C ATOM 145 CG2 ILE A 13 -3.572 5.323 3.010 1.00 0.00 C ATOM 146 CD1 ILE A 13 -1.164 7.647 2.936 1.00 0.00 C ATOM 0 H ILE A 13 -3.392 8.504 0.624 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.734 5.780 0.280 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.641 7.435 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.342 5.813 1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.727 7.252 0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.968 5.358 3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.627 5.267 3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.299 4.444 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.109 7.772 2.691 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.646 8.624 2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.255 7.163 3.908 1.00 0.00 H new ATOM 158 N ILE A 14 -6.338 7.167 1.732 1.00 0.00 N ATOM 159 CA ILE A 14 -7.751 6.976 2.012 1.00 0.00 C ATOM 160 C ILE A 14 -8.441 6.411 0.769 1.00 0.00 C ATOM 161 O ILE A 14 -9.094 5.371 0.837 1.00 0.00 O ATOM 162 CB ILE A 14 -8.375 8.275 2.526 1.00 0.00 C ATOM 163 CG1 ILE A 14 -8.085 8.471 4.015 1.00 0.00 C ATOM 164 CG2 ILE A 14 -9.875 8.319 2.224 1.00 0.00 C ATOM 165 CD1 ILE A 14 -6.901 9.418 4.223 1.00 0.00 C ATOM 0 H ILE A 14 -5.960 8.064 2.038 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.887 6.247 2.811 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.914 9.109 1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.968 8.873 4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.870 7.508 4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.295 9.252 2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.031 8.258 1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -10.369 7.478 2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.716 9.540 5.290 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.014 9.001 3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.129 10.388 3.781 1.00 0.00 H new ATOM 177 N GLN A 15 -8.273 7.122 -0.336 1.00 0.00 N ATOM 178 CA GLN A 15 -8.872 6.704 -1.592 1.00 0.00 C ATOM 179 C GLN A 15 -8.635 5.210 -1.823 1.00 0.00 C ATOM 180 O GLN A 15 -9.584 4.430 -1.886 1.00 0.00 O ATOM 181 CB GLN A 15 -8.331 7.532 -2.760 1.00 0.00 C ATOM 182 CG GLN A 15 -8.438 9.030 -2.466 1.00 0.00 C ATOM 183 CD GLN A 15 -9.011 9.784 -3.667 1.00 0.00 C ATOM 184 OE1 GLN A 15 -8.486 10.793 -4.108 1.00 0.00 O ATOM 185 NE2 GLN A 15 -10.116 9.241 -4.170 1.00 0.00 N ATOM 0 H GLN A 15 -7.731 7.984 -0.388 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.947 6.876 -1.534 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.290 7.268 -2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.887 7.295 -3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.074 9.189 -1.595 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.453 9.427 -2.219 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.504 8.395 -3.753 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.576 9.671 -4.973 1.00 0.00 H new ATOM 194 N LEU A 16 -7.364 4.857 -1.942 1.00 0.00 N ATOM 195 CA LEU A 16 -6.990 3.471 -2.165 1.00 0.00 C ATOM 196 C LEU A 16 -7.665 2.590 -1.111 1.00 0.00 C ATOM 197 O LEU A 16 -8.301 1.592 -1.447 1.00 0.00 O ATOM 198 CB LEU A 16 -5.467 3.326 -2.203 1.00 0.00 C ATOM 199 CG LEU A 16 -4.744 4.133 -3.283 1.00 0.00 C ATOM 200 CD1 LEU A 16 -3.265 4.313 -2.934 1.00 0.00 C ATOM 201 CD2 LEU A 16 -4.935 3.499 -4.662 1.00 0.00 C ATOM 0 H LEU A 16 -6.580 5.507 -1.888 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.344 3.133 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.070 3.619 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.225 2.272 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.189 5.127 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.774 4.890 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.177 4.842 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.789 3.336 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.411 4.093 -5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.533 2.486 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.997 3.466 -4.903 1.00 0.00 H new ATOM 213 N VAL A 17 -7.504 2.991 0.141 1.00 0.00 N ATOM 214 CA VAL A 17 -8.090 2.251 1.245 1.00 0.00 C ATOM 215 C VAL A 17 -9.589 2.073 0.996 1.00 0.00 C ATOM 216 O VAL A 17 -10.132 0.989 1.203 1.00 0.00 O ATOM 217 CB VAL A 17 -7.784 2.955 2.569 1.00 0.00 C ATOM 218 CG1 VAL A 17 -8.808 2.578 3.641 1.00 0.00 C ATOM 219 CG2 VAL A 17 -6.360 2.647 3.037 1.00 0.00 C ATOM 0 H VAL A 17 -6.976 3.819 0.415 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.651 1.256 1.312 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.856 4.030 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.567 3.092 4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.805 2.872 3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.783 1.501 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.168 3.159 3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.248 1.572 3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.648 2.990 2.286 1.00 0.00 H new ATOM 229 N GLU A 18 -10.216 3.154 0.556 1.00 0.00 N ATOM 230 CA GLU A 18 -11.641 3.131 0.276 1.00 0.00 C ATOM 231 C GLU A 18 -11.988 1.935 -0.613 1.00 0.00 C ATOM 232 O GLU A 18 -12.962 1.229 -0.357 1.00 0.00 O ATOM 233 CB GLU A 18 -12.095 4.442 -0.368 1.00 0.00 C ATOM 234 CG GLU A 18 -13.185 5.116 0.469 1.00 0.00 C ATOM 235 CD GLU A 18 -14.105 5.965 -0.411 1.00 0.00 C ATOM 236 OE1 GLU A 18 -14.687 5.382 -1.351 1.00 0.00 O ATOM 237 OE2 GLU A 18 -14.206 7.177 -0.122 1.00 0.00 O ATOM 0 H GLU A 18 -9.763 4.052 0.387 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.175 3.024 1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.243 5.114 -0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.471 4.247 -1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.771 4.358 0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.726 5.743 1.233 1.00 0.00 H new ATOM 244 N MET A 19 -11.173 1.744 -1.639 1.00 0.00 N ATOM 245 CA MET A 19 -11.381 0.646 -2.567 1.00 0.00 C ATOM 246 C MET A 19 -11.453 -0.691 -1.827 1.00 0.00 C ATOM 247 O MET A 19 -11.947 -1.679 -2.369 1.00 0.00 O ATOM 248 CB MET A 19 -10.235 0.608 -3.580 1.00 0.00 C ATOM 249 CG MET A 19 -10.158 1.916 -4.371 1.00 0.00 C ATOM 250 SD MET A 19 -10.386 1.591 -6.111 1.00 0.00 S ATOM 251 CE MET A 19 -9.929 3.179 -6.785 1.00 0.00 C ATOM 0 H MET A 19 -10.366 2.332 -1.848 1.00 0.00 H new ATOM 0 HA MET A 19 -12.328 0.806 -3.083 1.00 0.00 H new ATOM 0 HB2 MET A 19 -9.292 0.437 -3.061 1.00 0.00 H new ATOM 0 HB3 MET A 19 -10.378 -0.228 -4.265 1.00 0.00 H new ATOM 0 HG2 MET A 19 -10.922 2.609 -4.019 1.00 0.00 H new ATOM 0 HG3 MET A 19 -9.193 2.395 -4.205 1.00 0.00 H new ATOM 0 HE1 MET A 19 -10.015 3.152 -7.871 1.00 0.00 H new ATOM 0 HE2 MET A 19 -10.592 3.947 -6.387 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.900 3.409 -6.509 1.00 0.00 H new ATOM 261 N GLY A 20 -10.953 -0.679 -0.600 1.00 0.00 N ATOM 262 CA GLY A 20 -10.955 -1.879 0.220 1.00 0.00 C ATOM 263 C GLY A 20 -9.532 -2.403 0.428 1.00 0.00 C ATOM 264 O GLY A 20 -9.342 -3.529 0.884 1.00 0.00 O ATOM 0 H GLY A 20 -10.544 0.142 -0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.412 -1.663 1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.564 -2.648 -0.256 1.00 0.00 H new ATOM 268 N PHE A 21 -8.570 -1.560 0.084 1.00 0.00 N ATOM 269 CA PHE A 21 -7.170 -1.924 0.227 1.00 0.00 C ATOM 270 C PHE A 21 -6.661 -1.601 1.633 1.00 0.00 C ATOM 271 O PHE A 21 -7.184 -0.707 2.297 1.00 0.00 O ATOM 272 CB PHE A 21 -6.386 -1.092 -0.790 1.00 0.00 C ATOM 273 CG PHE A 21 -6.807 -1.325 -2.242 1.00 0.00 C ATOM 274 CD1 PHE A 21 -7.124 -2.578 -2.665 1.00 0.00 C ATOM 275 CD2 PHE A 21 -6.865 -0.279 -3.109 1.00 0.00 C ATOM 276 CE1 PHE A 21 -7.516 -2.794 -4.013 1.00 0.00 C ATOM 277 CE2 PHE A 21 -7.256 -0.495 -4.457 1.00 0.00 C ATOM 278 CZ PHE A 21 -7.573 -1.748 -4.881 1.00 0.00 C ATOM 0 H PHE A 21 -8.732 -0.626 -0.293 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.044 -2.994 0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.509 -0.036 -0.552 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.325 -1.320 -0.689 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.078 -3.409 -1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.614 0.716 -2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.769 -3.789 -4.349 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.302 0.336 -5.146 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.870 -1.912 -5.906 1.00 0.00 H new ATOM 288 N PRO A 22 -5.620 -2.367 2.057 1.00 0.00 N ATOM 289 CA PRO A 22 -5.034 -2.171 3.373 1.00 0.00 C ATOM 290 C PRO A 22 -4.167 -0.912 3.405 1.00 0.00 C ATOM 291 O PRO A 22 -3.299 -0.729 2.552 1.00 0.00 O ATOM 292 CB PRO A 22 -4.247 -3.442 3.645 1.00 0.00 C ATOM 293 CG PRO A 22 -4.038 -4.102 2.292 1.00 0.00 C ATOM 294 CD PRO A 22 -4.975 -3.434 1.298 1.00 0.00 C ATOM 0 HA PRO A 22 -5.783 -2.009 4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.293 -3.216 4.121 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.792 -4.101 4.321 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.002 -3.995 1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.244 -5.171 2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.428 -3.037 0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.707 -4.141 0.907 1.00 0.00 H new ATOM 302 N MET A 23 -4.431 -0.075 4.398 1.00 0.00 N ATOM 303 CA MET A 23 -3.685 1.162 4.553 1.00 0.00 C ATOM 304 C MET A 23 -2.209 0.960 4.204 1.00 0.00 C ATOM 305 O MET A 23 -1.709 1.540 3.242 1.00 0.00 O ATOM 306 CB MET A 23 -3.806 1.655 5.996 1.00 0.00 C ATOM 307 CG MET A 23 -4.125 3.150 6.040 1.00 0.00 C ATOM 308 SD MET A 23 -5.801 3.401 6.601 1.00 0.00 S ATOM 309 CE MET A 23 -5.958 5.159 6.332 1.00 0.00 C ATOM 0 H MET A 23 -5.151 -0.230 5.103 1.00 0.00 H new ATOM 0 HA MET A 23 -4.102 1.903 3.871 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.589 1.097 6.510 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.875 1.462 6.529 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.429 3.659 6.707 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.995 3.587 5.050 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.954 5.486 6.632 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.209 5.686 6.924 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.807 5.380 5.275 1.00 0.00 H new ATOM 319 N ASP A 24 -1.552 0.135 5.007 1.00 0.00 N ATOM 320 CA ASP A 24 -0.144 -0.152 4.795 1.00 0.00 C ATOM 321 C ASP A 24 0.124 -0.296 3.296 1.00 0.00 C ATOM 322 O ASP A 24 0.951 0.423 2.737 1.00 0.00 O ATOM 323 CB ASP A 24 0.261 -1.461 5.476 1.00 0.00 C ATOM 324 CG ASP A 24 1.046 -1.297 6.778 1.00 0.00 C ATOM 325 OD1 ASP A 24 2.204 -0.834 6.688 1.00 0.00 O ATOM 326 OD2 ASP A 24 0.472 -1.639 7.834 1.00 0.00 O ATOM 0 H ASP A 24 -1.969 -0.343 5.805 1.00 0.00 H new ATOM 0 HA ASP A 24 0.434 0.669 5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.640 -2.039 5.683 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.861 -2.045 4.779 1.00 0.00 H new ATOM 331 N ALA A 25 -0.592 -1.230 2.687 1.00 0.00 N ATOM 332 CA ALA A 25 -0.442 -1.478 1.263 1.00 0.00 C ATOM 333 C ALA A 25 -0.602 -0.161 0.501 1.00 0.00 C ATOM 334 O ALA A 25 0.162 0.125 -0.419 1.00 0.00 O ATOM 335 CB ALA A 25 -1.455 -2.535 0.819 1.00 0.00 C ATOM 0 H ALA A 25 -1.277 -1.824 3.154 1.00 0.00 H new ATOM 0 HA ALA A 25 0.552 -1.867 1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.342 -2.721 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.280 -3.460 1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.465 -2.178 1.021 1.00 0.00 H new ATOM 341 N CYS A 26 -1.601 0.606 0.913 1.00 0.00 N ATOM 342 CA CYS A 26 -1.872 1.886 0.280 1.00 0.00 C ATOM 343 C CYS A 26 -0.656 2.791 0.488 1.00 0.00 C ATOM 344 O CYS A 26 -0.151 3.387 -0.462 1.00 0.00 O ATOM 345 CB CYS A 26 -3.155 2.523 0.817 1.00 0.00 C ATOM 346 SG CYS A 26 -4.609 1.551 0.278 1.00 0.00 S ATOM 0 H CYS A 26 -2.232 0.366 1.677 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.037 1.739 -0.787 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.120 2.568 1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.239 3.549 0.458 1.00 0.00 H new ATOM 0 HG CYS A 26 -5.127 0.941 1.302 1.00 0.00 H new ATOM 352 N ARG A 27 -0.221 2.866 1.737 1.00 0.00 N ATOM 353 CA ARG A 27 0.927 3.689 2.082 1.00 0.00 C ATOM 354 C ARG A 27 2.173 3.198 1.342 1.00 0.00 C ATOM 355 O ARG A 27 3.068 3.985 1.037 1.00 0.00 O ATOM 356 CB ARG A 27 1.192 3.660 3.589 1.00 0.00 C ATOM 357 CG ARG A 27 0.382 4.740 4.309 1.00 0.00 C ATOM 358 CD ARG A 27 0.200 4.394 5.788 1.00 0.00 C ATOM 359 NE ARG A 27 1.029 5.291 6.623 1.00 0.00 N ATOM 360 CZ ARG A 27 2.338 5.111 6.847 1.00 0.00 C ATOM 361 NH1 ARG A 27 2.974 4.067 6.300 1.00 0.00 N ATOM 362 NH2 ARG A 27 3.011 5.976 7.619 1.00 0.00 N ATOM 0 H ARG A 27 -0.642 2.371 2.523 1.00 0.00 H new ATOM 0 HA ARG A 27 0.703 4.713 1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.933 2.679 3.989 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.255 3.811 3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.888 5.701 4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.593 4.846 3.834 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.849 4.491 6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.482 3.356 5.965 1.00 0.00 H new ATOM 0 HE ARG A 27 0.576 6.096 7.055 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.462 3.409 5.713 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.970 3.930 6.471 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.527 6.771 8.036 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.007 5.839 7.790 1.00 0.00 H new ATOM 376 N LYS A 28 2.191 1.900 1.075 1.00 0.00 N ATOM 377 CA LYS A 28 3.313 1.296 0.377 1.00 0.00 C ATOM 378 C LYS A 28 3.409 1.885 -1.031 1.00 0.00 C ATOM 379 O LYS A 28 4.475 2.332 -1.450 1.00 0.00 O ATOM 380 CB LYS A 28 3.198 -0.230 0.399 1.00 0.00 C ATOM 381 CG LYS A 28 3.666 -0.795 1.742 1.00 0.00 C ATOM 382 CD LYS A 28 4.070 -2.265 1.607 1.00 0.00 C ATOM 383 CE LYS A 28 3.011 -3.056 0.835 1.00 0.00 C ATOM 384 NZ LYS A 28 3.500 -4.420 0.536 1.00 0.00 N ATOM 0 H LYS A 28 1.447 1.250 1.329 1.00 0.00 H new ATOM 0 HA LYS A 28 4.249 1.530 0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.164 -0.523 0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.796 -0.655 -0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.512 -0.214 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.868 -0.699 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.029 -2.337 1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.205 -2.701 2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.093 -3.112 1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.767 -2.539 -0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.696 -5.080 0.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.977 -4.423 -0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.171 -4.718 1.273 1.00 0.00 H new ATOM 398 N ALA A 29 2.279 1.866 -1.724 1.00 0.00 N ATOM 399 CA ALA A 29 2.222 2.393 -3.077 1.00 0.00 C ATOM 400 C ALA A 29 2.703 3.846 -3.075 1.00 0.00 C ATOM 401 O ALA A 29 3.779 4.148 -3.587 1.00 0.00 O ATOM 402 CB ALA A 29 0.800 2.250 -3.622 1.00 0.00 C ATOM 0 H ALA A 29 1.396 1.494 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 29 2.881 1.829 -3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.758 2.645 -4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.518 1.197 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.110 2.805 -2.987 1.00 0.00 H new ATOM 408 N VAL A 30 1.880 4.706 -2.492 1.00 0.00 N ATOM 409 CA VAL A 30 2.208 6.120 -2.417 1.00 0.00 C ATOM 410 C VAL A 30 3.704 6.278 -2.142 1.00 0.00 C ATOM 411 O VAL A 30 4.401 6.986 -2.868 1.00 0.00 O ATOM 412 CB VAL A 30 1.331 6.804 -1.366 1.00 0.00 C ATOM 413 CG1 VAL A 30 1.710 8.279 -1.212 1.00 0.00 C ATOM 414 CG2 VAL A 30 -0.153 6.652 -1.706 1.00 0.00 C ATOM 0 H VAL A 30 0.988 4.451 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 30 1.999 6.612 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 30 1.507 6.311 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.072 8.742 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.752 8.356 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.576 8.790 -2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.754 7.147 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.352 7.107 -2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.412 5.594 -1.741 1.00 0.00 H new ATOM 424 N TYR A 31 4.155 5.608 -1.091 1.00 0.00 N ATOM 425 CA TYR A 31 5.556 5.666 -0.712 1.00 0.00 C ATOM 426 C TYR A 31 6.459 5.297 -1.891 1.00 0.00 C ATOM 427 O TYR A 31 7.141 6.156 -2.447 1.00 0.00 O ATOM 428 CB TYR A 31 5.736 4.627 0.397 1.00 0.00 C ATOM 429 CG TYR A 31 7.193 4.394 0.802 1.00 0.00 C ATOM 430 CD1 TYR A 31 7.971 5.454 1.220 1.00 0.00 C ATOM 431 CD2 TYR A 31 7.729 3.124 0.748 1.00 0.00 C ATOM 432 CE1 TYR A 31 9.342 5.235 1.601 1.00 0.00 C ATOM 433 CE2 TYR A 31 9.101 2.904 1.129 1.00 0.00 C ATOM 434 CZ TYR A 31 9.839 3.971 1.536 1.00 0.00 C ATOM 435 OH TYR A 31 11.134 3.764 1.896 1.00 0.00 O ATOM 0 H TYR A 31 3.575 5.022 -0.491 1.00 0.00 H new ATOM 0 HA TYR A 31 5.825 6.672 -0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.173 4.946 1.274 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.306 3.681 0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.551 6.448 1.261 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.120 2.294 0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.962 6.056 1.931 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.533 1.915 1.092 1.00 0.00 H new ATOM 0 HH TYR A 31 11.352 2.813 1.801 1.00 0.00 H new ATOM 445 N TYR A 32 6.435 4.018 -2.236 1.00 0.00 N ATOM 446 CA TYR A 32 7.243 3.526 -3.339 1.00 0.00 C ATOM 447 C TYR A 32 7.205 4.495 -4.522 1.00 0.00 C ATOM 448 O TYR A 32 8.234 5.045 -4.912 1.00 0.00 O ATOM 449 CB TYR A 32 6.613 2.197 -3.762 1.00 0.00 C ATOM 450 CG TYR A 32 6.943 1.028 -2.833 1.00 0.00 C ATOM 451 CD1 TYR A 32 8.252 0.778 -2.476 1.00 0.00 C ATOM 452 CD2 TYR A 32 5.931 0.222 -2.352 1.00 0.00 C ATOM 453 CE1 TYR A 32 8.563 -0.323 -1.601 1.00 0.00 C ATOM 454 CE2 TYR A 32 6.242 -0.879 -1.477 1.00 0.00 C ATOM 455 CZ TYR A 32 7.542 -1.097 -1.145 1.00 0.00 C ATOM 456 OH TYR A 32 7.836 -2.137 -0.319 1.00 0.00 O ATOM 0 H TYR A 32 5.869 3.308 -1.771 1.00 0.00 H new ATOM 0 HA TYR A 32 8.284 3.417 -3.034 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.531 2.318 -3.807 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.948 1.952 -4.770 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.044 1.408 -2.853 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.906 0.417 -2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.583 -0.529 -1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.460 -1.517 -1.093 1.00 0.00 H new ATOM 0 HH TYR A 32 7.010 -2.602 -0.071 1.00 0.00 H new ATOM 466 N THR A 33 6.008 4.674 -5.061 1.00 0.00 N ATOM 467 CA THR A 33 5.823 5.567 -6.192 1.00 0.00 C ATOM 468 C THR A 33 6.312 6.974 -5.846 1.00 0.00 C ATOM 469 O THR A 33 6.705 7.734 -6.731 1.00 0.00 O ATOM 470 CB THR A 33 4.348 5.518 -6.596 1.00 0.00 C ATOM 471 OG1 THR A 33 3.661 6.056 -5.469 1.00 0.00 O ATOM 472 CG2 THR A 33 3.818 4.087 -6.708 1.00 0.00 C ATOM 0 H THR A 33 5.157 4.216 -4.735 1.00 0.00 H new ATOM 0 HA THR A 33 6.420 5.251 -7.048 1.00 0.00 H new ATOM 0 HB THR A 33 4.216 6.029 -7.550 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.527 5.352 -4.801 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.767 4.110 -6.997 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.390 3.545 -7.461 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.919 3.585 -5.746 1.00 0.00 H new ATOM 480 N GLY A 34 6.272 7.280 -4.558 1.00 0.00 N ATOM 481 CA GLY A 34 6.707 8.583 -4.084 1.00 0.00 C ATOM 482 C GLY A 34 5.605 9.629 -4.269 1.00 0.00 C ATOM 483 O GLY A 34 5.883 10.769 -4.638 1.00 0.00 O ATOM 0 H GLY A 34 5.945 6.648 -3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.979 8.519 -3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.601 8.891 -4.626 1.00 0.00 H new ATOM 487 N ASN A 35 4.379 9.203 -4.003 1.00 0.00 N ATOM 488 CA ASN A 35 3.235 10.089 -4.136 1.00 0.00 C ATOM 489 C ASN A 35 3.231 10.705 -5.536 1.00 0.00 C ATOM 490 O ASN A 35 3.976 11.645 -5.807 1.00 0.00 O ATOM 491 CB ASN A 35 3.300 11.230 -3.118 1.00 0.00 C ATOM 492 CG ASN A 35 1.978 11.998 -3.070 1.00 0.00 C ATOM 493 OD1 ASN A 35 1.058 11.750 -3.831 1.00 0.00 O ATOM 494 ND2 ASN A 35 1.935 12.943 -2.134 1.00 0.00 N ATOM 0 H ASN A 35 4.153 8.257 -3.696 1.00 0.00 H new ATOM 0 HA ASN A 35 2.333 9.502 -3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.527 10.829 -2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.110 11.910 -3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.096 13.511 -2.021 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.741 13.099 -1.529 1.00 0.00 H new ATOM 501 N SER A 36 2.383 10.149 -6.390 1.00 0.00 N ATOM 502 CA SER A 36 2.273 10.632 -7.756 1.00 0.00 C ATOM 503 C SER A 36 0.831 10.487 -8.247 1.00 0.00 C ATOM 504 O SER A 36 0.595 10.028 -9.363 1.00 0.00 O ATOM 505 CB SER A 36 3.228 9.880 -8.685 1.00 0.00 C ATOM 506 OG SER A 36 4.515 10.490 -8.736 1.00 0.00 O ATOM 0 H SER A 36 1.766 9.369 -6.162 1.00 0.00 H new ATOM 0 HA SER A 36 2.551 11.686 -7.770 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.329 8.850 -8.344 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.804 9.844 -9.689 1.00 0.00 H new ATOM 0 HG SER A 36 4.686 10.964 -7.896 1.00 0.00 H new ATOM 512 N GLY A 37 -0.096 10.888 -7.389 1.00 0.00 N ATOM 513 CA GLY A 37 -1.508 10.809 -7.722 1.00 0.00 C ATOM 514 C GLY A 37 -2.100 9.468 -7.283 1.00 0.00 C ATOM 515 O GLY A 37 -1.366 8.547 -6.931 1.00 0.00 O ATOM 0 H GLY A 37 0.103 11.269 -6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.046 11.624 -7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.640 10.934 -8.797 1.00 0.00 H new ATOM 519 N ALA A 38 -3.423 9.402 -7.319 1.00 0.00 N ATOM 520 CA ALA A 38 -4.122 8.189 -6.930 1.00 0.00 C ATOM 521 C ALA A 38 -3.903 7.114 -7.996 1.00 0.00 C ATOM 522 O ALA A 38 -3.430 6.020 -7.692 1.00 0.00 O ATOM 523 CB ALA A 38 -5.604 8.501 -6.713 1.00 0.00 C ATOM 0 H ALA A 38 -4.029 10.169 -7.611 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.728 7.805 -5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.128 7.591 -6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.707 9.248 -5.926 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.034 8.887 -7.637 1.00 0.00 H new ATOM 529 N GLU A 39 -4.256 7.463 -9.224 1.00 0.00 N ATOM 530 CA GLU A 39 -4.104 6.542 -10.338 1.00 0.00 C ATOM 531 C GLU A 39 -2.712 5.907 -10.314 1.00 0.00 C ATOM 532 O GLU A 39 -2.583 4.685 -10.366 1.00 0.00 O ATOM 533 CB GLU A 39 -4.363 7.246 -11.671 1.00 0.00 C ATOM 534 CG GLU A 39 -5.217 6.374 -12.594 1.00 0.00 C ATOM 535 CD GLU A 39 -5.557 7.116 -13.889 1.00 0.00 C ATOM 536 OE1 GLU A 39 -6.324 8.099 -13.795 1.00 0.00 O ATOM 537 OE2 GLU A 39 -5.042 6.684 -14.942 1.00 0.00 O ATOM 0 H GLU A 39 -4.647 8.372 -9.473 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.846 5.750 -10.234 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.867 8.196 -11.493 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.414 7.475 -12.156 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.682 5.453 -12.828 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.136 6.088 -12.082 1.00 0.00 H new ATOM 544 N ALA A 40 -1.706 6.765 -10.235 1.00 0.00 N ATOM 545 CA ALA A 40 -0.329 6.303 -10.204 1.00 0.00 C ATOM 546 C ALA A 40 -0.183 5.220 -9.134 1.00 0.00 C ATOM 547 O ALA A 40 0.018 4.049 -9.454 1.00 0.00 O ATOM 548 CB ALA A 40 0.603 7.492 -9.961 1.00 0.00 C ATOM 0 H ALA A 40 -1.817 7.778 -10.192 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.051 5.861 -11.161 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.636 7.146 -9.938 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.482 8.219 -10.764 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.355 7.959 -9.008 1.00 0.00 H new ATOM 554 N ALA A 41 -0.290 5.648 -7.885 1.00 0.00 N ATOM 555 CA ALA A 41 -0.173 4.729 -6.766 1.00 0.00 C ATOM 556 C ALA A 41 -0.972 3.460 -7.068 1.00 0.00 C ATOM 557 O ALA A 41 -0.422 2.359 -7.064 1.00 0.00 O ATOM 558 CB ALA A 41 -0.640 5.421 -5.484 1.00 0.00 C ATOM 0 H ALA A 41 -0.457 6.620 -7.623 1.00 0.00 H new ATOM 0 HA ALA A 41 0.867 4.437 -6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.552 4.731 -4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.021 6.299 -5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.680 5.727 -5.594 1.00 0.00 H new ATOM 564 N MET A 42 -2.258 3.655 -7.323 1.00 0.00 N ATOM 565 CA MET A 42 -3.138 2.540 -7.626 1.00 0.00 C ATOM 566 C MET A 42 -2.422 1.493 -8.482 1.00 0.00 C ATOM 567 O MET A 42 -2.321 0.331 -8.091 1.00 0.00 O ATOM 568 CB MET A 42 -4.372 3.052 -8.372 1.00 0.00 C ATOM 569 CG MET A 42 -5.657 2.510 -7.743 1.00 0.00 C ATOM 570 SD MET A 42 -7.013 2.663 -8.894 1.00 0.00 S ATOM 571 CE MET A 42 -6.538 1.433 -10.097 1.00 0.00 C ATOM 0 H MET A 42 -2.711 4.569 -7.326 1.00 0.00 H new ATOM 0 HA MET A 42 -3.437 2.072 -6.688 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.386 4.142 -8.354 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.320 2.751 -9.418 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.522 1.465 -7.464 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.883 3.058 -6.828 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.631 1.850 -11.100 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.504 1.134 -9.923 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.188 0.563 -10.004 1.00 0.00 H new ATOM 581 N ASN A 43 -1.945 1.942 -9.633 1.00 0.00 N ATOM 582 CA ASN A 43 -1.241 1.059 -10.547 1.00 0.00 C ATOM 583 C ASN A 43 -0.314 0.140 -9.749 1.00 0.00 C ATOM 584 O ASN A 43 -0.445 -1.082 -9.807 1.00 0.00 O ATOM 585 CB ASN A 43 -0.384 1.855 -11.533 1.00 0.00 C ATOM 586 CG ASN A 43 -0.569 1.339 -12.962 1.00 0.00 C ATOM 587 OD1 ASN A 43 -0.429 0.161 -13.246 1.00 0.00 O ATOM 588 ND2 ASN A 43 -0.889 2.284 -13.841 1.00 0.00 N ATOM 0 H ASN A 43 -2.032 2.906 -9.954 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.984 0.484 -11.099 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.654 2.910 -11.486 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.666 1.782 -11.249 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.033 2.041 -14.821 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.990 3.252 -13.535 1.00 0.00 H new ATOM 595 N TRP A 44 0.603 0.763 -9.024 1.00 0.00 N ATOM 596 CA TRP A 44 1.552 0.017 -8.215 1.00 0.00 C ATOM 597 C TRP A 44 0.775 -1.044 -7.434 1.00 0.00 C ATOM 598 O TRP A 44 1.205 -2.194 -7.346 1.00 0.00 O ATOM 599 CB TRP A 44 2.359 0.953 -7.313 1.00 0.00 C ATOM 600 CG TRP A 44 3.386 0.237 -6.434 1.00 0.00 C ATOM 601 CD1 TRP A 44 4.716 0.191 -6.589 1.00 0.00 C ATOM 602 CD2 TRP A 44 3.110 -0.539 -5.248 1.00 0.00 C ATOM 603 NE1 TRP A 44 5.316 -0.554 -5.594 1.00 0.00 N ATOM 604 CE2 TRP A 44 4.308 -1.012 -4.753 1.00 0.00 C ATOM 605 CE3 TRP A 44 1.889 -0.831 -4.615 1.00 0.00 C ATOM 606 CZ2 TRP A 44 4.403 -1.806 -3.604 1.00 0.00 C ATOM 607 CZ3 TRP A 44 2.001 -1.626 -3.468 1.00 0.00 C ATOM 608 CH2 TRP A 44 3.199 -2.110 -2.957 1.00 0.00 C ATOM 0 H TRP A 44 0.709 1.776 -8.980 1.00 0.00 H new ATOM 0 HA TRP A 44 2.287 -0.483 -8.845 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.875 1.684 -7.935 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.672 1.507 -6.673 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.251 0.676 -7.392 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.315 -0.735 -5.494 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.940 -0.471 -4.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.353 -2.165 -3.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.092 -1.881 -2.943 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.202 -2.718 -2.065 1.00 0.00 H new ATOM 619 N VAL A 45 -0.354 -0.621 -6.886 1.00 0.00 N ATOM 620 CA VAL A 45 -1.195 -1.521 -6.114 1.00 0.00 C ATOM 621 C VAL A 45 -1.748 -2.610 -7.035 1.00 0.00 C ATOM 622 O VAL A 45 -1.648 -3.797 -6.729 1.00 0.00 O ATOM 623 CB VAL A 45 -2.291 -0.729 -5.399 1.00 0.00 C ATOM 624 CG1 VAL A 45 -3.020 -1.602 -4.375 1.00 0.00 C ATOM 625 CG2 VAL A 45 -1.719 0.527 -4.739 1.00 0.00 C ATOM 0 H VAL A 45 -0.707 0.333 -6.961 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.612 -2.017 -5.338 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.017 -0.413 -6.148 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.794 -1.014 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.477 -2.452 -4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.309 -1.962 -3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.519 1.071 -4.238 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.962 0.242 -4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.268 1.164 -5.499 1.00 0.00 H new ATOM 635 N MET A 46 -2.320 -2.168 -8.145 1.00 0.00 N ATOM 636 CA MET A 46 -2.890 -3.090 -9.113 1.00 0.00 C ATOM 637 C MET A 46 -1.872 -4.158 -9.518 1.00 0.00 C ATOM 638 O MET A 46 -2.246 -5.238 -9.971 1.00 0.00 O ATOM 639 CB MET A 46 -3.339 -2.316 -10.354 1.00 0.00 C ATOM 640 CG MET A 46 -4.372 -1.248 -9.989 1.00 0.00 C ATOM 641 SD MET A 46 -5.735 -1.992 -9.108 1.00 0.00 S ATOM 642 CE MET A 46 -5.711 -1.013 -7.616 1.00 0.00 C ATOM 0 H MET A 46 -2.401 -1.183 -8.396 1.00 0.00 H new ATOM 0 HA MET A 46 -3.746 -3.585 -8.654 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.476 -1.846 -10.826 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.765 -3.005 -11.083 1.00 0.00 H new ATOM 0 HG2 MET A 46 -3.908 -0.477 -9.374 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.736 -0.759 -10.892 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.617 -1.670 -6.751 1.00 0.00 H new ATOM 0 HE2 MET A 46 -4.864 -0.327 -7.644 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.637 -0.443 -7.540 1.00 0.00 H new ATOM 652 N SER A 47 -0.603 -3.818 -9.339 1.00 0.00 N ATOM 653 CA SER A 47 0.472 -4.734 -9.681 1.00 0.00 C ATOM 654 C SER A 47 0.845 -5.580 -8.462 1.00 0.00 C ATOM 655 O SER A 47 0.711 -6.803 -8.486 1.00 0.00 O ATOM 656 CB SER A 47 1.697 -3.977 -10.196 1.00 0.00 C ATOM 657 OG SER A 47 2.135 -4.468 -11.461 1.00 0.00 O ATOM 0 H SER A 47 -0.296 -2.921 -8.962 1.00 0.00 H new ATOM 0 HA SER A 47 0.122 -5.390 -10.478 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.459 -2.917 -10.281 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.508 -4.064 -9.473 1.00 0.00 H new ATOM 0 HG SER A 47 2.918 -3.958 -11.757 1.00 0.00 H new ATOM 663 N HIS A 48 1.305 -4.896 -7.425 1.00 0.00 N ATOM 664 CA HIS A 48 1.698 -5.570 -6.199 1.00 0.00 C ATOM 665 C HIS A 48 0.571 -6.494 -5.737 1.00 0.00 C ATOM 666 O HIS A 48 0.823 -7.614 -5.294 1.00 0.00 O ATOM 667 CB HIS A 48 2.109 -4.555 -5.129 1.00 0.00 C ATOM 668 CG HIS A 48 3.572 -4.184 -5.165 1.00 0.00 C ATOM 669 ND1 HIS A 48 4.476 -4.599 -4.203 1.00 0.00 N ATOM 670 CD2 HIS A 48 4.279 -3.432 -6.058 1.00 0.00 C ATOM 671 CE1 HIS A 48 5.669 -4.113 -4.511 1.00 0.00 C ATOM 672 NE2 HIS A 48 5.545 -3.390 -5.661 1.00 0.00 N ATOM 0 H HIS A 48 1.414 -3.882 -7.408 1.00 0.00 H new ATOM 0 HA HIS A 48 2.575 -6.190 -6.386 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.512 -3.651 -5.252 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.872 -4.962 -4.146 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.877 -2.953 -6.938 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.580 -4.263 -3.950 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.301 -2.898 -6.138 1.00 0.00 H new ATOM 680 N MET A 49 -0.650 -5.992 -5.856 1.00 0.00 N ATOM 681 CA MET A 49 -1.817 -6.759 -5.456 1.00 0.00 C ATOM 682 C MET A 49 -1.679 -8.225 -5.872 1.00 0.00 C ATOM 683 O MET A 49 -2.243 -9.111 -5.232 1.00 0.00 O ATOM 684 CB MET A 49 -3.068 -6.160 -6.102 1.00 0.00 C ATOM 685 CG MET A 49 -3.010 -6.284 -7.626 1.00 0.00 C ATOM 686 SD MET A 49 -3.655 -7.868 -8.135 1.00 0.00 S ATOM 687 CE MET A 49 -4.679 -7.360 -9.506 1.00 0.00 C ATOM 0 H MET A 49 -0.856 -5.063 -6.224 1.00 0.00 H new ATOM 0 HA MET A 49 -1.902 -6.716 -4.370 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.955 -6.669 -5.726 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.159 -5.111 -5.822 1.00 0.00 H new ATOM 0 HG2 MET A 49 -3.587 -5.482 -8.086 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.981 -6.174 -7.969 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.282 -8.204 -9.842 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.334 -6.549 -9.190 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.047 -7.017 -10.325 1.00 0.00 H new ATOM 697 N ASP A 50 -0.926 -8.434 -6.942 1.00 0.00 N ATOM 698 CA ASP A 50 -0.707 -9.778 -7.451 1.00 0.00 C ATOM 699 C ASP A 50 -0.203 -10.672 -6.316 1.00 0.00 C ATOM 700 O ASP A 50 -0.901 -11.590 -5.888 1.00 0.00 O ATOM 701 CB ASP A 50 0.348 -9.781 -8.559 1.00 0.00 C ATOM 702 CG ASP A 50 0.552 -11.129 -9.253 1.00 0.00 C ATOM 703 OD1 ASP A 50 -0.444 -11.637 -9.811 1.00 0.00 O ATOM 704 OD2 ASP A 50 1.700 -11.622 -9.210 1.00 0.00 O ATOM 0 H ASP A 50 -0.460 -7.696 -7.470 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.652 -10.146 -7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.067 -9.042 -9.309 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.299 -9.460 -8.135 1.00 0.00 H new ATOM 709 N ASP A 51 1.005 -10.374 -5.862 1.00 0.00 N ATOM 710 CA ASP A 51 1.611 -11.140 -4.786 1.00 0.00 C ATOM 711 C ASP A 51 0.665 -11.157 -3.584 1.00 0.00 C ATOM 712 O ASP A 51 -0.045 -10.184 -3.334 1.00 0.00 O ATOM 713 CB ASP A 51 2.932 -10.512 -4.339 1.00 0.00 C ATOM 714 CG ASP A 51 2.806 -9.446 -3.249 1.00 0.00 C ATOM 715 OD1 ASP A 51 1.903 -8.594 -3.390 1.00 0.00 O ATOM 716 OD2 ASP A 51 3.616 -9.508 -2.298 1.00 0.00 O ATOM 0 H ASP A 51 1.581 -9.612 -6.220 1.00 0.00 H new ATOM 0 HA ASP A 51 1.798 -12.149 -5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.589 -11.303 -3.978 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.417 -10.066 -5.207 1.00 0.00 H new ATOM 721 N PRO A 52 0.686 -12.303 -2.852 1.00 0.00 N ATOM 722 CA PRO A 52 -0.161 -12.460 -1.682 1.00 0.00 C ATOM 723 C PRO A 52 0.383 -11.655 -0.500 1.00 0.00 C ATOM 724 O PRO A 52 -0.309 -11.469 0.500 1.00 0.00 O ATOM 725 CB PRO A 52 -0.193 -13.957 -1.417 1.00 0.00 C ATOM 726 CG PRO A 52 1.002 -14.536 -2.157 1.00 0.00 C ATOM 727 CD PRO A 52 1.514 -13.476 -3.119 1.00 0.00 C ATOM 0 HA PRO A 52 -1.169 -12.075 -1.837 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.130 -14.166 -0.349 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.124 -14.397 -1.774 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.784 -14.823 -1.454 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.715 -15.437 -2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.569 -13.263 -2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.418 -13.801 -4.155 1.00 0.00 H new ATOM 735 N ASP A 53 1.617 -11.198 -0.654 1.00 0.00 N ATOM 736 CA ASP A 53 2.261 -10.417 0.388 1.00 0.00 C ATOM 737 C ASP A 53 2.037 -8.928 0.116 1.00 0.00 C ATOM 738 O ASP A 53 2.853 -8.093 0.504 1.00 0.00 O ATOM 739 CB ASP A 53 3.769 -10.672 0.415 1.00 0.00 C ATOM 740 CG ASP A 53 4.383 -10.780 1.812 1.00 0.00 C ATOM 741 OD1 ASP A 53 4.263 -11.876 2.401 1.00 0.00 O ATOM 742 OD2 ASP A 53 4.957 -9.764 2.260 1.00 0.00 O ATOM 0 H ASP A 53 2.188 -11.354 -1.485 1.00 0.00 H new ATOM 0 HA ASP A 53 1.829 -10.710 1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.976 -11.594 -0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.268 -9.866 -0.123 1.00 0.00 H new ATOM 747 N PHE A 54 0.929 -8.641 -0.550 1.00 0.00 N ATOM 748 CA PHE A 54 0.588 -7.268 -0.879 1.00 0.00 C ATOM 749 C PHE A 54 -0.020 -6.550 0.327 1.00 0.00 C ATOM 750 O PHE A 54 0.331 -5.406 0.615 1.00 0.00 O ATOM 751 CB PHE A 54 -0.450 -7.321 -2.002 1.00 0.00 C ATOM 752 CG PHE A 54 -1.328 -6.072 -2.098 1.00 0.00 C ATOM 753 CD1 PHE A 54 -0.850 -4.949 -2.700 1.00 0.00 C ATOM 754 CD2 PHE A 54 -2.586 -6.083 -1.582 1.00 0.00 C ATOM 755 CE1 PHE A 54 -1.665 -3.790 -2.789 1.00 0.00 C ATOM 756 CE2 PHE A 54 -3.401 -4.924 -1.671 1.00 0.00 C ATOM 757 CZ PHE A 54 -2.923 -3.801 -2.273 1.00 0.00 C ATOM 0 H PHE A 54 0.255 -9.336 -0.871 1.00 0.00 H new ATOM 0 HA PHE A 54 1.484 -6.724 -1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.065 -7.464 -2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.089 -8.191 -1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.149 -4.939 -3.110 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.965 -6.974 -1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.286 -2.899 -3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.400 -4.934 -1.261 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.543 -2.919 -2.341 1.00 0.00 H new ATOM 767 N ALA A 55 -0.921 -7.250 1.000 1.00 0.00 N ATOM 768 CA ALA A 55 -1.581 -6.694 2.169 1.00 0.00 C ATOM 769 C ALA A 55 -0.566 -6.557 3.306 1.00 0.00 C ATOM 770 O ALA A 55 -0.720 -5.707 4.181 1.00 0.00 O ATOM 771 CB ALA A 55 -2.771 -7.576 2.552 1.00 0.00 C ATOM 0 H ALA A 55 -1.210 -8.198 0.758 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.970 -5.699 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.266 -7.159 3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.476 -7.616 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.420 -8.583 2.778 1.00 0.00 H new ATOM 777 N ASN A 56 0.448 -7.408 3.256 1.00 0.00 N ATOM 778 CA ASN A 56 1.488 -7.393 4.270 1.00 0.00 C ATOM 779 C ASN A 56 1.935 -5.951 4.516 1.00 0.00 C ATOM 780 O ASN A 56 1.554 -5.045 3.776 1.00 0.00 O ATOM 781 CB ASN A 56 2.710 -8.196 3.819 1.00 0.00 C ATOM 782 CG ASN A 56 2.792 -9.532 4.560 1.00 0.00 C ATOM 783 OD1 ASN A 56 3.504 -9.686 5.539 1.00 0.00 O ATOM 784 ND2 ASN A 56 2.027 -10.487 4.040 1.00 0.00 N ATOM 0 H ASN A 56 0.571 -8.113 2.529 1.00 0.00 H new ATOM 0 HA ASN A 56 1.079 -7.838 5.177 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.656 -8.374 2.745 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.616 -7.619 4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.013 -11.415 4.462 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.455 -10.291 3.219 1.00 0.00 H new ATOM 791 N PRO A 57 2.758 -5.778 5.585 1.00 0.00 N ATOM 792 CA PRO A 57 3.260 -4.461 5.937 1.00 0.00 C ATOM 793 C PRO A 57 4.363 -4.019 4.972 1.00 0.00 C ATOM 794 O PRO A 57 4.549 -4.623 3.918 1.00 0.00 O ATOM 795 CB PRO A 57 3.745 -4.595 7.371 1.00 0.00 C ATOM 796 CG PRO A 57 3.925 -6.085 7.613 1.00 0.00 C ATOM 797 CD PRO A 57 3.230 -6.827 6.483 1.00 0.00 C ATOM 0 HA PRO A 57 2.498 -3.686 5.859 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.683 -4.059 7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.023 -4.170 8.069 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.984 -6.342 7.644 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.500 -6.370 8.575 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.915 -7.505 5.974 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.403 -7.431 6.856 1.00 0.00 H new ATOM 805 N LEU A 58 5.065 -2.967 5.369 1.00 0.00 N ATOM 806 CA LEU A 58 6.144 -2.437 4.552 1.00 0.00 C ATOM 807 C LEU A 58 7.478 -2.990 5.057 1.00 0.00 C ATOM 808 O LEU A 58 7.683 -3.125 6.262 1.00 0.00 O ATOM 809 CB LEU A 58 6.087 -0.909 4.515 1.00 0.00 C ATOM 810 CG LEU A 58 7.281 -0.208 3.864 1.00 0.00 C ATOM 811 CD1 LEU A 58 7.201 -0.295 2.338 1.00 0.00 C ATOM 812 CD2 LEU A 58 7.401 1.237 4.350 1.00 0.00 C ATOM 0 H LEU A 58 4.908 -2.468 6.245 1.00 0.00 H new ATOM 0 HA LEU A 58 6.034 -2.762 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.183 -0.612 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.990 -0.544 5.538 1.00 0.00 H new ATOM 0 HG LEU A 58 8.190 -0.726 4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.061 0.211 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.201 -1.341 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.284 0.184 1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.258 1.712 3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.493 1.784 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.538 1.247 5.431 1.00 0.00 H new ATOM 824 N ILE A 59 8.352 -3.296 4.109 1.00 0.00 N ATOM 825 CA ILE A 59 9.661 -3.832 4.442 1.00 0.00 C ATOM 826 C ILE A 59 9.490 -5.105 5.273 1.00 0.00 C ATOM 827 O ILE A 59 9.116 -5.041 6.444 1.00 0.00 O ATOM 828 CB ILE A 59 10.519 -2.764 5.123 1.00 0.00 C ATOM 829 CG1 ILE A 59 11.177 -1.848 4.088 1.00 0.00 C ATOM 830 CG2 ILE A 59 11.547 -3.402 6.060 1.00 0.00 C ATOM 831 CD1 ILE A 59 11.075 -0.381 4.511 1.00 0.00 C ATOM 0 H ILE A 59 8.179 -3.183 3.110 1.00 0.00 H new ATOM 0 HA ILE A 59 10.200 -4.112 3.537 1.00 0.00 H new ATOM 0 HB ILE A 59 9.867 -2.142 5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 59 12.225 -2.123 3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.698 -1.985 3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.144 -2.621 6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 59 11.031 -3.978 6.828 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.200 -4.062 5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.550 0.248 3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.026 -0.102 4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 59 11.577 -0.243 5.469 1.00 0.00 H new ATOM 843 N LEU A 60 9.771 -6.232 4.636 1.00 0.00 N ATOM 844 CA LEU A 60 9.653 -7.518 5.302 1.00 0.00 C ATOM 845 C LEU A 60 10.202 -7.403 6.726 1.00 0.00 C ATOM 846 O LEU A 60 11.136 -6.642 6.975 1.00 0.00 O ATOM 847 CB LEU A 60 10.323 -8.615 4.472 1.00 0.00 C ATOM 848 CG LEU A 60 11.754 -8.980 4.872 1.00 0.00 C ATOM 849 CD1 LEU A 60 11.767 -9.836 6.140 1.00 0.00 C ATOM 850 CD2 LEU A 60 12.491 -9.657 3.715 1.00 0.00 C ATOM 0 H LEU A 60 10.080 -6.281 3.665 1.00 0.00 H new ATOM 0 HA LEU A 60 8.606 -7.808 5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.710 -9.514 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.328 -8.301 3.428 1.00 0.00 H new ATOM 0 HG LEU A 60 12.291 -8.059 5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.796 -10.082 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.306 -9.282 6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.208 -10.755 5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.506 -9.906 4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.964 -10.568 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.529 -8.980 2.862 1.00 0.00 H new ATOM 862 N PRO A 61 9.582 -8.189 7.646 1.00 0.00 N ATOM 863 CA PRO A 61 9.999 -8.182 9.038 1.00 0.00 C ATOM 864 C PRO A 61 11.313 -8.944 9.221 1.00 0.00 C ATOM 865 O PRO A 61 11.313 -10.168 9.347 1.00 0.00 O ATOM 866 CB PRO A 61 8.840 -8.805 9.799 1.00 0.00 C ATOM 867 CG PRO A 61 8.020 -9.558 8.765 1.00 0.00 C ATOM 868 CD PRO A 61 8.473 -9.101 7.388 1.00 0.00 C ATOM 0 HA PRO A 61 10.208 -7.179 9.409 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.200 -9.478 10.577 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.240 -8.040 10.292 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.161 -10.633 8.876 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.957 -9.360 8.903 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.789 -9.945 6.775 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.666 -8.602 6.851 1.00 0.00 H new ATOM 876 N GLY A 62 12.402 -8.189 9.229 1.00 0.00 N ATOM 877 CA GLY A 62 13.720 -8.778 9.394 1.00 0.00 C ATOM 878 C GLY A 62 14.783 -7.696 9.591 1.00 0.00 C ATOM 879 O GLY A 62 14.604 -6.783 10.395 1.00 0.00 O ATOM 0 H GLY A 62 12.398 -7.174 9.124 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.717 -9.450 10.252 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.966 -9.379 8.519 1.00 0.00 H new ATOM 883 N SER A 63 15.868 -7.835 8.843 1.00 0.00 N ATOM 884 CA SER A 63 16.961 -6.881 8.925 1.00 0.00 C ATOM 885 C SER A 63 17.222 -6.265 7.549 1.00 0.00 C ATOM 886 O SER A 63 18.180 -6.636 6.871 1.00 0.00 O ATOM 887 CB SER A 63 18.232 -7.543 9.461 1.00 0.00 C ATOM 888 OG SER A 63 19.220 -6.584 9.827 1.00 0.00 O ATOM 0 H SER A 63 16.013 -8.594 8.177 1.00 0.00 H new ATOM 0 HA SER A 63 16.675 -6.092 9.621 1.00 0.00 H new ATOM 0 HB2 SER A 63 17.984 -8.156 10.327 1.00 0.00 H new ATOM 0 HB3 SER A 63 18.639 -8.212 8.703 1.00 0.00 H new ATOM 0 HG SER A 63 20.015 -7.046 10.166 1.00 0.00 H new ATOM 894 N SER A 64 16.355 -5.336 7.177 1.00 0.00 N ATOM 895 CA SER A 64 16.480 -4.666 5.894 1.00 0.00 C ATOM 896 C SER A 64 17.233 -3.345 6.064 1.00 0.00 C ATOM 897 O SER A 64 16.885 -2.535 6.922 1.00 0.00 O ATOM 898 CB SER A 64 15.107 -4.417 5.266 1.00 0.00 C ATOM 899 OG SER A 64 15.203 -3.691 4.043 1.00 0.00 O ATOM 0 H SER A 64 15.562 -5.031 7.742 1.00 0.00 H new ATOM 0 HA SER A 64 17.044 -5.315 5.224 1.00 0.00 H new ATOM 0 HB2 SER A 64 14.613 -5.372 5.083 1.00 0.00 H new ATOM 0 HB3 SER A 64 14.482 -3.864 5.968 1.00 0.00 H new ATOM 0 HG SER A 64 14.306 -3.554 3.673 1.00 0.00 H new ATOM 905 N GLY A 65 18.250 -3.169 5.234 1.00 0.00 N ATOM 906 CA GLY A 65 19.055 -1.960 5.283 1.00 0.00 C ATOM 907 C GLY A 65 18.180 -0.727 5.514 1.00 0.00 C ATOM 908 O GLY A 65 17.560 -0.217 4.582 1.00 0.00 O ATOM 0 H GLY A 65 18.535 -3.843 4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 65 19.792 -2.042 6.082 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.607 -1.849 4.350 1.00 0.00 H new ATOM 912 N PRO A 66 18.156 -0.272 6.796 1.00 0.00 N ATOM 913 CA PRO A 66 17.366 0.891 7.162 1.00 0.00 C ATOM 914 C PRO A 66 18.034 2.181 6.680 1.00 0.00 C ATOM 915 O PRO A 66 19.230 2.194 6.391 1.00 0.00 O ATOM 916 CB PRO A 66 17.237 0.819 8.675 1.00 0.00 C ATOM 917 CG PRO A 66 18.341 -0.115 9.143 1.00 0.00 C ATOM 918 CD PRO A 66 18.876 -0.851 7.926 1.00 0.00 C ATOM 0 HA PRO A 66 16.383 0.897 6.692 1.00 0.00 H new ATOM 0 HB2 PRO A 66 17.345 1.807 9.124 1.00 0.00 H new ATOM 0 HB3 PRO A 66 16.257 0.442 8.966 1.00 0.00 H new ATOM 0 HG2 PRO A 66 19.137 0.449 9.629 1.00 0.00 H new ATOM 0 HG3 PRO A 66 17.957 -0.822 9.878 1.00 0.00 H new ATOM 0 HD2 PRO A 66 19.952 -0.714 7.822 1.00 0.00 H new ATOM 0 HD3 PRO A 66 18.697 -1.924 8.002 1.00 0.00 H new ATOM 926 N GLY A 67 17.233 3.234 6.609 1.00 0.00 N ATOM 927 CA GLY A 67 17.731 4.525 6.167 1.00 0.00 C ATOM 928 C GLY A 67 17.105 4.926 4.830 1.00 0.00 C ATOM 929 O GLY A 67 17.261 4.225 3.832 1.00 0.00 O ATOM 0 H GLY A 67 16.242 3.219 6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.507 5.282 6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.816 4.486 6.067 1.00 0.00 H new ATOM 933 N SER A 68 16.409 6.054 4.854 1.00 0.00 N ATOM 934 CA SER A 68 15.758 6.557 3.656 1.00 0.00 C ATOM 935 C SER A 68 16.796 7.175 2.717 1.00 0.00 C ATOM 936 O SER A 68 17.667 7.924 3.156 1.00 0.00 O ATOM 937 CB SER A 68 14.681 7.585 4.006 1.00 0.00 C ATOM 938 OG SER A 68 15.241 8.841 4.377 1.00 0.00 O ATOM 0 H SER A 68 16.282 6.633 5.684 1.00 0.00 H new ATOM 0 HA SER A 68 15.274 5.720 3.152 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.019 7.722 3.151 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.070 7.205 4.824 1.00 0.00 H new ATOM 0 HG SER A 68 14.521 9.470 4.591 1.00 0.00 H new ATOM 944 N SER A 69 16.669 6.836 1.442 1.00 0.00 N ATOM 945 CA SER A 69 17.585 7.348 0.437 1.00 0.00 C ATOM 946 C SER A 69 17.089 6.976 -0.961 1.00 0.00 C ATOM 947 O SER A 69 17.070 5.801 -1.324 1.00 0.00 O ATOM 948 CB SER A 69 19.001 6.812 0.659 1.00 0.00 C ATOM 949 OG SER A 69 19.960 7.862 0.754 1.00 0.00 O ATOM 0 H SER A 69 15.946 6.213 1.082 1.00 0.00 H new ATOM 0 HA SER A 69 17.619 8.434 0.526 1.00 0.00 H new ATOM 0 HB2 SER A 69 19.024 6.216 1.571 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.270 6.148 -0.162 1.00 0.00 H new ATOM 0 HG SER A 69 20.851 7.479 0.897 1.00 0.00 H new ATOM 955 N GLY A 70 16.700 7.999 -1.708 1.00 0.00 N ATOM 956 CA GLY A 70 16.206 7.793 -3.059 1.00 0.00 C ATOM 957 C GLY A 70 15.786 9.119 -3.696 1.00 0.00 C ATOM 958 O GLY A 70 15.492 10.085 -2.993 1.00 0.00 O ATOM 0 H GLY A 70 16.717 8.972 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.980 7.323 -3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 70 15.357 7.109 -3.040 1.00 0.00 H new ATOM 962 N PRO A 71 15.771 9.124 -5.056 1.00 0.00 N ATOM 963 CA PRO A 71 15.392 10.315 -5.797 1.00 0.00 C ATOM 964 C PRO A 71 13.879 10.535 -5.745 1.00 0.00 C ATOM 965 O PRO A 71 13.174 10.257 -6.714 1.00 0.00 O ATOM 966 CB PRO A 71 15.911 10.084 -7.207 1.00 0.00 C ATOM 967 CG PRO A 71 16.148 8.587 -7.323 1.00 0.00 C ATOM 968 CD PRO A 71 16.113 7.999 -5.922 1.00 0.00 C ATOM 0 HA PRO A 71 15.817 11.226 -5.375 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.189 10.424 -7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.832 10.640 -7.380 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.383 8.127 -7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 71 17.110 8.388 -7.796 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.374 7.202 -5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 71 17.076 7.568 -5.649 1.00 0.00 H new ATOM 976 N SER A 72 13.424 11.032 -4.604 1.00 0.00 N ATOM 977 CA SER A 72 12.007 11.292 -4.413 1.00 0.00 C ATOM 978 C SER A 72 11.815 12.442 -3.423 1.00 0.00 C ATOM 979 O SER A 72 11.609 12.212 -2.232 1.00 0.00 O ATOM 980 CB SER A 72 11.278 10.040 -3.921 1.00 0.00 C ATOM 981 OG SER A 72 10.616 9.356 -4.981 1.00 0.00 O ATOM 0 H SER A 72 14.012 11.262 -3.802 1.00 0.00 H new ATOM 0 HA SER A 72 11.579 11.574 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.993 9.368 -3.446 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.550 10.320 -3.160 1.00 0.00 H new ATOM 0 HG SER A 72 11.141 9.442 -5.804 1.00 0.00 H new ATOM 987 N SER A 73 11.888 13.654 -3.952 1.00 0.00 N ATOM 988 CA SER A 73 11.724 14.841 -3.129 1.00 0.00 C ATOM 989 C SER A 73 10.375 15.500 -3.422 1.00 0.00 C ATOM 990 O SER A 73 9.546 15.652 -2.526 1.00 0.00 O ATOM 991 CB SER A 73 12.863 15.835 -3.364 1.00 0.00 C ATOM 992 OG SER A 73 12.588 17.108 -2.785 1.00 0.00 O ATOM 0 H SER A 73 12.058 13.840 -4.940 1.00 0.00 H new ATOM 0 HA SER A 73 11.752 14.538 -2.082 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.785 15.436 -2.942 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.027 15.952 -4.435 1.00 0.00 H new ATOM 0 HG SER A 73 12.421 17.002 -1.825 1.00 0.00 H new ATOM 998 N GLY A 74 10.196 15.872 -4.681 1.00 0.00 N ATOM 999 CA GLY A 74 8.961 16.511 -5.104 1.00 0.00 C ATOM 1000 C GLY A 74 9.244 17.846 -5.797 1.00 0.00 C ATOM 1001 O GLY A 74 9.042 18.908 -5.211 1.00 0.00 O ATOM 0 H GLY A 74 10.885 15.743 -5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.420 15.852 -5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.318 16.675 -4.240 1.00 0.00 H new TER 1005 GLY A 74