USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 919 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 47 LYS NZ :NH3+ 159:sc= -0.552 (180deg=-0.712) USER MOD Set 1.2: A 71 SER OG : rot -143:sc= 0.487 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0827 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 1.14 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.0818 (180deg=-0.792) USER MOD Single : A 18 THR OG1 : rot -54:sc= 0.429 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -145:sc= -0.372 (180deg=-1.48!) USER MOD Single : A 27 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.8!) USER MOD Single : A 32 MET CE :methyl -110:sc= 0 (180deg=-1.54!) USER MOD Single : A 33 ASN : amide:sc= -3.13 K(o=-3.1,f=-6.3!) USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= -0.0119 (180deg=-0.246) USER MOD Single : A 37 SER OG : rot -78:sc= 1.09 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -11! C(o=-11!,f=-17!) USER MOD Single : A 51 SER OG : rot -160:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -131:sc= -2.71 (180deg=-5.93!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -42:sc= 0.241 USER MOD Single : A 60 GLN : amide:sc= -0.0222 K(o=-0.022,f=-1.3!) USER MOD Single : A 65 LYS NZ :NH3+ -126:sc= 0 (180deg=-1.46!) USER MOD Single : A 66 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.088) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 156:sc= 0.837 (180deg=0.482) USER MOD Single : A 74 ASN : amide:sc= -0.678 X(o=-0.68,f=-0.87) USER MOD Single : A 77 TYR OH : rot 30:sc= 0 USER MOD Single : A 78 TYR OH : rot 167:sc=-0.00962 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.395 F(o=-3.9!,f=-0.39) USER MOD Single : A 93 GLN : amide:sc=-0.00638 K(o=-0.0064,f=-0.86) USER MOD Single : A 94 HIS : no HD1:sc= -0.0208 X(o=-0.021,f=-0.39) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.509 USER MOD Single : A 96 SER OG : rot 180:sc= -0.18 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 164:sc= -0.0815 (180deg=-0.334) USER MOD Single : A 103 CYS SG : rot -43:sc= 0.466 USER MOD Single : A 104 GLN : amide:sc= -0.291 K(o=-0.29,f=-1.5) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 110:sc= -0.402 USER MOD Single : A 110 CYS SG : rot -20:sc= -1.41 USER MOD Single : A 112 ASN : amide:sc= -0.0764 K(o=-0.076,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.663 -4.802 -21.913 1.00 0.00 N ATOM 2 CA GLY A 1 18.340 -4.185 -21.864 1.00 0.00 C ATOM 3 C GLY A 1 17.422 -4.905 -20.876 1.00 0.00 C ATOM 4 O GLY A 1 17.770 -5.962 -20.368 1.00 0.00 O ATOM 0 H1 GLY A 1 20.377 -4.119 -21.589 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.679 -5.638 -21.295 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.876 -5.089 -22.890 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.436 -3.138 -21.576 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.892 -4.203 -22.858 1.00 0.00 H new ATOM 10 N SER A 2 16.252 -4.272 -20.643 1.00 0.00 N ATOM 11 CA SER A 2 15.267 -4.823 -19.704 1.00 0.00 C ATOM 12 C SER A 2 13.916 -4.101 -19.921 1.00 0.00 C ATOM 13 O SER A 2 13.526 -3.247 -19.137 1.00 0.00 O ATOM 14 CB SER A 2 15.750 -4.635 -18.232 1.00 0.00 C ATOM 15 OG SER A 2 16.563 -5.870 -17.930 1.00 0.00 O ATOM 0 H SER A 2 15.975 -3.396 -21.086 1.00 0.00 H new ATOM 0 HA SER A 2 15.148 -5.891 -19.885 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.350 -3.731 -18.125 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.906 -4.540 -17.548 1.00 0.00 H new ATOM 0 HG SER A 2 17.019 -6.169 -18.744 1.00 0.00 H new ATOM 21 N VAL A 3 13.222 -4.479 -21.014 1.00 0.00 N ATOM 22 CA VAL A 3 11.931 -3.838 -21.293 1.00 0.00 C ATOM 23 C VAL A 3 10.903 -4.851 -21.819 1.00 0.00 C ATOM 24 O VAL A 3 9.802 -4.968 -21.295 1.00 0.00 O ATOM 25 CB VAL A 3 12.115 -2.646 -22.260 1.00 0.00 C ATOM 26 CG1 VAL A 3 13.001 -1.555 -21.647 1.00 0.00 C ATOM 27 CG2 VAL A 3 12.670 -3.075 -23.632 1.00 0.00 C ATOM 0 H VAL A 3 13.518 -5.189 -21.685 1.00 0.00 H new ATOM 0 HA VAL A 3 11.535 -3.447 -20.356 1.00 0.00 H new ATOM 0 HB VAL A 3 11.119 -2.235 -22.424 1.00 0.00 H new ATOM 0 HG11 VAL A 3 13.108 -0.733 -22.355 1.00 0.00 H new ATOM 0 HG12 VAL A 3 12.542 -1.186 -20.730 1.00 0.00 H new ATOM 0 HG13 VAL A 3 13.983 -1.969 -21.420 1.00 0.00 H new ATOM 0 HG21 VAL A 3 12.779 -2.198 -24.271 1.00 0.00 H new ATOM 0 HG22 VAL A 3 13.642 -3.550 -23.499 1.00 0.00 H new ATOM 0 HG23 VAL A 3 11.982 -3.780 -24.098 1.00 0.00 H new ATOM 37 N ALA A 4 11.324 -5.575 -22.875 1.00 0.00 N ATOM 38 CA ALA A 4 10.433 -6.545 -23.487 1.00 0.00 C ATOM 39 C ALA A 4 11.214 -7.378 -24.520 1.00 0.00 C ATOM 40 O ALA A 4 11.170 -7.103 -25.712 1.00 0.00 O ATOM 41 CB ALA A 4 9.258 -5.813 -24.157 1.00 0.00 C ATOM 0 H ALA A 4 12.248 -5.502 -23.302 1.00 0.00 H new ATOM 0 HA ALA A 4 10.036 -7.216 -22.725 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.590 -6.541 -24.616 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.711 -5.241 -23.408 1.00 0.00 H new ATOM 0 HB3 ALA A 4 9.639 -5.137 -24.923 1.00 0.00 H new ATOM 47 N PRO A 5 11.935 -8.421 -24.015 1.00 0.00 N ATOM 48 CA PRO A 5 12.706 -9.313 -24.877 1.00 0.00 C ATOM 49 C PRO A 5 11.809 -10.103 -25.842 1.00 0.00 C ATOM 50 O PRO A 5 11.946 -10.028 -27.057 1.00 0.00 O ATOM 51 CB PRO A 5 13.452 -10.263 -23.918 1.00 0.00 C ATOM 52 CG PRO A 5 13.044 -9.880 -22.490 1.00 0.00 C ATOM 53 CD PRO A 5 12.044 -8.731 -22.593 1.00 0.00 C ATOM 0 HA PRO A 5 13.389 -8.748 -25.512 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.193 -11.301 -24.127 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.530 -10.171 -24.048 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.598 -10.732 -21.977 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.916 -9.579 -21.909 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.077 -9.017 -22.180 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.387 -7.863 -22.029 1.00 0.00 H new ATOM 61 N VAL A 6 10.882 -10.851 -25.207 1.00 0.00 N ATOM 62 CA VAL A 6 9.937 -11.679 -25.950 1.00 0.00 C ATOM 63 C VAL A 6 8.521 -11.342 -25.486 1.00 0.00 C ATOM 64 O VAL A 6 7.704 -10.815 -26.231 1.00 0.00 O ATOM 65 CB VAL A 6 10.248 -13.176 -25.749 1.00 0.00 C ATOM 66 CG1 VAL A 6 9.202 -14.059 -26.453 1.00 0.00 C ATOM 67 CG2 VAL A 6 11.657 -13.536 -26.253 1.00 0.00 C ATOM 0 H VAL A 6 10.776 -10.892 -24.193 1.00 0.00 H new ATOM 0 HA VAL A 6 10.025 -11.472 -27.017 1.00 0.00 H new ATOM 0 HB VAL A 6 10.208 -13.367 -24.677 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.446 -15.109 -26.294 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.214 -13.850 -26.042 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.204 -13.843 -27.521 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.840 -14.599 -26.094 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.732 -13.310 -27.317 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.399 -12.955 -25.705 1.00 0.00 H new ATOM 77 N GLU A 7 8.281 -11.691 -24.207 1.00 0.00 N ATOM 78 CA GLU A 7 6.962 -11.449 -23.645 1.00 0.00 C ATOM 79 C GLU A 7 7.016 -11.490 -22.135 1.00 0.00 C ATOM 80 O GLU A 7 7.700 -12.325 -21.553 1.00 0.00 O ATOM 81 CB GLU A 7 5.980 -12.513 -24.119 1.00 0.00 C ATOM 82 CG GLU A 7 4.530 -12.077 -23.864 1.00 0.00 C ATOM 83 CD GLU A 7 3.634 -12.492 -25.034 1.00 0.00 C ATOM 84 OE1 GLU A 7 3.652 -11.801 -26.051 1.00 0.00 O ATOM 85 OE2 GLU A 7 2.936 -13.496 -24.918 1.00 0.00 O ATOM 0 H GLU A 7 8.957 -12.122 -23.577 1.00 0.00 H new ATOM 0 HA GLU A 7 6.633 -10.465 -23.978 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.126 -12.699 -25.183 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.178 -13.452 -23.601 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.165 -12.527 -22.941 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.487 -10.996 -23.730 1.00 0.00 H new ATOM 92 N THR A 8 6.241 -10.550 -21.544 1.00 0.00 N ATOM 93 CA THR A 8 6.237 -10.417 -20.088 1.00 0.00 C ATOM 94 C THR A 8 5.135 -9.451 -19.611 1.00 0.00 C ATOM 95 O THR A 8 5.415 -8.410 -19.029 1.00 0.00 O ATOM 96 CB THR A 8 7.642 -9.969 -19.612 1.00 0.00 C ATOM 97 OG1 THR A 8 7.655 -10.173 -18.147 1.00 0.00 O ATOM 98 CG2 THR A 8 7.977 -8.562 -20.237 1.00 0.00 C ATOM 0 H THR A 8 5.634 -9.899 -22.042 1.00 0.00 H new ATOM 0 HA THR A 8 6.009 -11.385 -19.643 1.00 0.00 H new ATOM 0 HB THR A 8 8.494 -10.548 -19.968 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.527 -9.906 -17.787 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.965 -8.242 -19.905 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.966 -8.635 -21.324 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.233 -7.834 -19.914 1.00 0.00 H new ATOM 106 N LEU A 9 3.860 -9.842 -19.888 1.00 0.00 N ATOM 107 CA LEU A 9 2.730 -9.005 -19.478 1.00 0.00 C ATOM 108 C LEU A 9 2.843 -7.608 -20.124 1.00 0.00 C ATOM 109 O LEU A 9 3.716 -7.334 -20.939 1.00 0.00 O ATOM 110 CB LEU A 9 2.665 -8.915 -17.931 1.00 0.00 C ATOM 111 CG LEU A 9 2.230 -10.225 -17.260 1.00 0.00 C ATOM 112 CD1 LEU A 9 3.384 -11.241 -17.179 1.00 0.00 C ATOM 113 CD2 LEU A 9 1.644 -9.926 -15.872 1.00 0.00 C ATOM 0 H LEU A 9 3.608 -10.702 -20.376 1.00 0.00 H new ATOM 0 HA LEU A 9 1.801 -9.458 -19.824 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.645 -8.629 -17.550 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.970 -8.124 -17.650 1.00 0.00 H new ATOM 0 HG LEU A 9 1.457 -10.686 -17.876 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.032 -12.153 -16.697 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.735 -11.474 -18.184 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.203 -10.816 -16.598 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.336 -10.858 -15.398 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.399 -9.438 -15.256 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.780 -9.269 -15.975 1.00 0.00 H new ATOM 125 N GLU A 10 1.903 -6.746 -19.703 1.00 0.00 N ATOM 126 CA GLU A 10 1.895 -5.374 -20.188 1.00 0.00 C ATOM 127 C GLU A 10 2.893 -4.560 -19.341 1.00 0.00 C ATOM 128 O GLU A 10 3.559 -5.086 -18.457 1.00 0.00 O ATOM 129 CB GLU A 10 0.469 -4.814 -20.092 1.00 0.00 C ATOM 130 CG GLU A 10 -0.487 -5.485 -21.092 1.00 0.00 C ATOM 131 CD GLU A 10 -0.087 -5.131 -22.536 1.00 0.00 C ATOM 132 OE1 GLU A 10 -0.221 -3.969 -22.917 1.00 0.00 O ATOM 133 OE2 GLU A 10 0.361 -6.018 -23.260 1.00 0.00 O ATOM 0 H GLU A 10 1.159 -6.975 -19.044 1.00 0.00 H new ATOM 0 HA GLU A 10 2.200 -5.319 -21.233 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.092 -4.957 -19.079 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.489 -3.740 -20.276 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.465 -6.566 -20.956 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.510 -5.160 -20.901 1.00 0.00 H new ATOM 140 N VAL A 11 2.944 -3.250 -19.667 1.00 0.00 N ATOM 141 CA VAL A 11 3.852 -2.323 -18.987 1.00 0.00 C ATOM 142 C VAL A 11 3.135 -1.018 -18.586 1.00 0.00 C ATOM 143 O VAL A 11 3.501 0.094 -18.950 1.00 0.00 O ATOM 144 CB VAL A 11 5.016 -1.986 -19.920 1.00 0.00 C ATOM 145 CG1 VAL A 11 5.843 -3.229 -20.272 1.00 0.00 C ATOM 146 CG2 VAL A 11 4.486 -1.263 -21.173 1.00 0.00 C ATOM 0 H VAL A 11 2.369 -2.821 -20.392 1.00 0.00 H new ATOM 0 HA VAL A 11 4.213 -2.807 -18.079 1.00 0.00 H new ATOM 0 HB VAL A 11 5.696 -1.311 -19.400 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.660 -2.947 -20.936 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.251 -3.665 -19.360 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.207 -3.960 -20.770 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.319 -1.025 -21.835 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.781 -1.910 -21.695 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.983 -0.342 -20.877 1.00 0.00 H new ATOM 156 N GLU A 12 2.097 -1.258 -17.797 1.00 0.00 N ATOM 157 CA GLU A 12 1.269 -0.200 -17.256 1.00 0.00 C ATOM 158 C GLU A 12 1.983 0.450 -16.086 1.00 0.00 C ATOM 159 O GLU A 12 2.944 -0.052 -15.517 1.00 0.00 O ATOM 160 CB GLU A 12 -0.105 -0.720 -16.846 1.00 0.00 C ATOM 161 CG GLU A 12 -0.975 -1.077 -18.064 1.00 0.00 C ATOM 162 CD GLU A 12 -1.996 0.036 -18.376 1.00 0.00 C ATOM 163 OE1 GLU A 12 -2.742 0.422 -17.473 1.00 0.00 O ATOM 164 OE2 GLU A 12 -2.034 0.499 -19.515 1.00 0.00 O ATOM 0 H GLU A 12 1.808 -2.195 -17.516 1.00 0.00 H new ATOM 0 HA GLU A 12 1.104 0.548 -18.032 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.014 -1.601 -16.215 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.614 0.035 -16.246 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.337 -1.241 -18.933 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.502 -2.012 -17.875 1.00 0.00 H new ATOM 171 N LYS A 13 1.497 1.680 -15.888 1.00 0.00 N ATOM 172 CA LYS A 13 2.016 2.494 -14.834 1.00 0.00 C ATOM 173 C LYS A 13 1.643 1.974 -13.472 1.00 0.00 C ATOM 174 O LYS A 13 2.514 1.842 -12.623 1.00 0.00 O ATOM 175 CB LYS A 13 1.532 3.906 -14.943 1.00 0.00 C ATOM 176 CG LYS A 13 2.338 4.694 -15.879 1.00 0.00 C ATOM 177 CD LYS A 13 3.804 4.515 -15.851 1.00 0.00 C ATOM 178 CE LYS A 13 4.583 5.679 -16.438 1.00 0.00 C ATOM 179 NZ LYS A 13 5.299 5.323 -17.657 1.00 0.00 N ATOM 0 H LYS A 13 0.758 2.110 -16.444 1.00 0.00 H new ATOM 0 HA LYS A 13 3.100 2.461 -14.944 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.492 3.908 -15.270 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.558 4.375 -13.959 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.993 4.469 -16.888 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.126 5.748 -15.697 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.121 4.363 -14.819 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.059 3.608 -16.399 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.897 6.499 -16.651 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.295 6.044 -15.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.494 6.183 -18.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.196 4.859 -17.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.718 4.673 -18.224 1.00 0.00 H new ATOM 193 N TRP A 14 0.357 1.587 -13.317 1.00 0.00 N ATOM 194 CA TRP A 14 0.008 1.179 -11.968 1.00 0.00 C ATOM 195 C TRP A 14 0.390 -0.299 -11.767 1.00 0.00 C ATOM 196 O TRP A 14 0.856 -0.680 -10.702 1.00 0.00 O ATOM 197 CB TRP A 14 -1.495 1.427 -11.672 1.00 0.00 C ATOM 198 CG TRP A 14 -2.519 0.552 -12.397 1.00 0.00 C ATOM 199 CD1 TRP A 14 -3.370 0.986 -13.418 1.00 0.00 C ATOM 200 CD2 TRP A 14 -2.903 -0.819 -12.111 1.00 0.00 C ATOM 201 NE1 TRP A 14 -4.236 -0.018 -13.739 1.00 0.00 N ATOM 202 CE2 TRP A 14 -3.995 -1.152 -12.957 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.427 -1.750 -11.226 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.558 -2.417 -12.868 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -2.987 -3.020 -11.171 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.046 -3.349 -11.988 1.00 0.00 C ATOM 0 H TRP A 14 -0.373 1.553 -14.028 1.00 0.00 H new ATOM 0 HA TRP A 14 0.569 1.786 -11.257 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.650 1.305 -10.600 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.716 2.468 -11.910 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.346 1.962 -13.880 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.961 0.049 -14.453 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.611 -1.495 -10.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.402 -2.674 -13.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.590 -3.753 -10.484 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.477 -4.338 -11.940 1.00 0.00 H new ATOM 217 N PHE A 15 0.163 -1.100 -12.838 1.00 0.00 N ATOM 218 CA PHE A 15 0.483 -2.525 -12.801 1.00 0.00 C ATOM 219 C PHE A 15 1.924 -2.827 -13.245 1.00 0.00 C ATOM 220 O PHE A 15 2.342 -2.432 -14.323 1.00 0.00 O ATOM 221 CB PHE A 15 -0.511 -3.376 -13.613 1.00 0.00 C ATOM 222 CG PHE A 15 -0.471 -4.837 -13.215 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.518 -5.227 -11.871 1.00 0.00 C ATOM 224 CD2 PHE A 15 -0.387 -5.814 -14.206 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.483 -6.579 -11.554 1.00 0.00 C ATOM 226 CE2 PHE A 15 -0.354 -7.158 -13.878 1.00 0.00 C ATOM 227 CZ PHE A 15 -0.405 -7.540 -12.549 1.00 0.00 C ATOM 0 H PHE A 15 -0.235 -0.777 -13.720 1.00 0.00 H new ATOM 0 HA PHE A 15 0.393 -2.807 -11.752 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.520 -2.989 -13.469 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.283 -3.284 -14.675 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.581 -4.485 -11.089 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.347 -5.518 -15.244 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.517 -6.885 -10.519 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.289 -7.905 -14.655 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.384 -8.588 -12.287 1.00 0.00 H new ATOM 237 N PHE A 16 2.680 -3.483 -12.338 1.00 0.00 N ATOM 238 CA PHE A 16 4.026 -3.938 -12.711 1.00 0.00 C ATOM 239 C PHE A 16 4.196 -5.361 -12.137 1.00 0.00 C ATOM 240 O PHE A 16 3.305 -5.890 -11.474 1.00 0.00 O ATOM 241 CB PHE A 16 5.107 -2.945 -12.142 1.00 0.00 C ATOM 242 CG PHE A 16 5.509 -1.832 -13.095 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.647 -2.067 -14.465 1.00 0.00 C ATOM 244 CD2 PHE A 16 5.747 -0.545 -12.608 1.00 0.00 C ATOM 245 CE1 PHE A 16 5.975 -1.040 -15.334 1.00 0.00 C ATOM 246 CE2 PHE A 16 6.062 0.490 -13.488 1.00 0.00 C ATOM 247 CZ PHE A 16 6.175 0.240 -14.846 1.00 0.00 C ATOM 0 H PHE A 16 2.393 -3.700 -11.383 1.00 0.00 H new ATOM 0 HA PHE A 16 4.157 -3.959 -13.793 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.724 -2.499 -11.224 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.997 -3.513 -11.872 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.496 -3.064 -14.852 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.687 -0.351 -11.547 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.075 -1.237 -16.391 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.218 1.489 -13.110 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.419 1.044 -15.524 1.00 0.00 H new ATOM 257 N ARG A 17 5.435 -5.886 -12.306 1.00 0.00 N ATOM 258 CA ARG A 17 5.751 -7.216 -11.792 1.00 0.00 C ATOM 259 C ARG A 17 6.139 -7.108 -10.337 1.00 0.00 C ATOM 260 O ARG A 17 5.269 -7.109 -9.503 1.00 0.00 O ATOM 261 CB ARG A 17 6.850 -7.895 -12.580 1.00 0.00 C ATOM 262 CG ARG A 17 6.216 -8.654 -13.718 1.00 0.00 C ATOM 263 CD ARG A 17 7.264 -9.442 -14.456 1.00 0.00 C ATOM 264 NE ARG A 17 8.228 -8.594 -15.194 1.00 0.00 N ATOM 265 CZ ARG A 17 7.961 -7.662 -16.152 1.00 0.00 C ATOM 266 NH1 ARG A 17 6.756 -7.562 -16.691 1.00 0.00 N ATOM 267 NH2 ARG A 17 8.911 -6.826 -16.582 1.00 0.00 N ATOM 0 H ARG A 17 6.204 -5.414 -12.782 1.00 0.00 H new ATOM 0 HA ARG A 17 4.860 -7.836 -11.898 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.555 -7.157 -12.962 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.414 -8.573 -11.939 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.447 -9.325 -13.335 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.723 -7.960 -14.399 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.808 -10.063 -13.745 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.773 -10.116 -15.158 1.00 0.00 H new ATOM 0 HE ARG A 17 9.212 -8.723 -14.956 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.009 -8.188 -16.390 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.574 -6.858 -17.407 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.852 -6.880 -16.193 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.695 -6.134 -17.300 1.00 0.00 H new ATOM 281 N THR A 18 7.464 -7.006 -10.095 1.00 0.00 N ATOM 282 CA THR A 18 7.996 -6.909 -8.761 1.00 0.00 C ATOM 283 C THR A 18 9.147 -5.906 -8.777 1.00 0.00 C ATOM 284 O THR A 18 10.319 -6.252 -8.733 1.00 0.00 O ATOM 285 CB THR A 18 8.467 -8.268 -8.148 1.00 0.00 C ATOM 286 OG1 THR A 18 9.474 -8.190 -7.097 1.00 0.00 O ATOM 287 CG2 THR A 18 8.666 -9.400 -9.199 1.00 0.00 C ATOM 0 H THR A 18 8.173 -6.991 -10.828 1.00 0.00 H new ATOM 0 HA THR A 18 7.183 -6.577 -8.115 1.00 0.00 H new ATOM 0 HB THR A 18 7.603 -8.595 -7.570 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.245 -7.678 -7.420 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.993 -10.310 -8.696 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.724 -9.588 -9.714 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.421 -9.095 -9.924 1.00 0.00 H new ATOM 295 N ILE A 19 8.726 -4.624 -8.925 1.00 0.00 N ATOM 296 CA ILE A 19 9.712 -3.554 -8.879 1.00 0.00 C ATOM 297 C ILE A 19 10.146 -3.446 -7.437 1.00 0.00 C ATOM 298 O ILE A 19 9.415 -3.844 -6.537 1.00 0.00 O ATOM 299 CB ILE A 19 9.159 -2.197 -9.348 1.00 0.00 C ATOM 300 CG1 ILE A 19 10.253 -1.341 -9.971 1.00 0.00 C ATOM 301 CG2 ILE A 19 8.339 -1.407 -8.313 1.00 0.00 C ATOM 302 CD1 ILE A 19 9.737 0.033 -10.415 1.00 0.00 C ATOM 0 H ILE A 19 7.760 -4.331 -9.069 1.00 0.00 H new ATOM 0 HA ILE A 19 10.532 -3.793 -9.556 1.00 0.00 H new ATOM 0 HB ILE A 19 8.426 -2.457 -10.112 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.061 -1.208 -9.251 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.674 -1.863 -10.830 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.002 -0.469 -8.755 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.474 -1.996 -8.008 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.959 -1.195 -7.442 1.00 0.00 H new ATOM 0 HD11 ILE A 19 10.555 0.605 -10.853 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.948 -0.097 -11.156 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.340 0.569 -9.553 1.00 0.00 H new ATOM 314 N SER A 20 11.376 -2.933 -7.249 1.00 0.00 N ATOM 315 CA SER A 20 11.762 -2.824 -5.854 1.00 0.00 C ATOM 316 C SER A 20 10.846 -1.817 -5.131 1.00 0.00 C ATOM 317 O SER A 20 10.232 -0.942 -5.725 1.00 0.00 O ATOM 318 CB SER A 20 13.244 -2.373 -5.665 1.00 0.00 C ATOM 319 OG SER A 20 13.831 -2.324 -4.293 1.00 0.00 O ATOM 0 H SER A 20 12.042 -2.624 -7.957 1.00 0.00 H new ATOM 0 HA SER A 20 11.659 -3.822 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.866 -3.039 -6.262 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.339 -1.376 -6.096 1.00 0.00 H new ATOM 0 HG SER A 20 14.763 -2.025 -4.346 1.00 0.00 H new ATOM 325 N ARG A 21 10.858 -1.950 -3.799 1.00 0.00 N ATOM 326 CA ARG A 21 10.051 -1.065 -2.963 1.00 0.00 C ATOM 327 C ARG A 21 10.487 0.385 -3.163 1.00 0.00 C ATOM 328 O ARG A 21 9.699 1.266 -3.472 1.00 0.00 O ATOM 329 CB ARG A 21 10.141 -1.448 -1.480 1.00 0.00 C ATOM 330 CG ARG A 21 9.084 -0.700 -0.643 1.00 0.00 C ATOM 331 CD ARG A 21 8.600 -1.498 0.580 1.00 0.00 C ATOM 332 NE ARG A 21 8.993 -0.845 1.823 1.00 0.00 N ATOM 333 CZ ARG A 21 10.258 -0.895 2.291 1.00 0.00 C ATOM 334 NH1 ARG A 21 11.192 -1.570 1.636 1.00 0.00 N ATOM 335 NH2 ARG A 21 10.578 -0.265 3.412 1.00 0.00 N ATOM 0 H ARG A 21 11.404 -2.645 -3.290 1.00 0.00 H new ATOM 0 HA ARG A 21 9.010 -1.174 -3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.000 -2.523 -1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.137 -1.217 -1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.502 0.249 -0.307 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.229 -0.465 -1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.515 -1.599 0.546 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.015 -2.505 0.548 1.00 0.00 H new ATOM 0 HE ARG A 21 8.289 -0.334 2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.957 -2.057 0.771 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.145 -1.602 1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.868 0.259 3.923 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.535 -0.304 3.764 1.00 0.00 H new ATOM 349 N LYS A 22 11.813 0.554 -2.970 1.00 0.00 N ATOM 350 CA LYS A 22 12.397 1.875 -3.169 1.00 0.00 C ATOM 351 C LYS A 22 12.230 2.401 -4.588 1.00 0.00 C ATOM 352 O LYS A 22 12.355 3.594 -4.820 1.00 0.00 O ATOM 353 CB LYS A 22 13.852 1.979 -2.719 1.00 0.00 C ATOM 354 CG LYS A 22 14.769 0.994 -3.380 1.00 0.00 C ATOM 355 CD LYS A 22 15.043 1.156 -4.852 1.00 0.00 C ATOM 356 CE LYS A 22 16.470 0.774 -5.235 1.00 0.00 C ATOM 357 NZ LYS A 22 17.425 1.551 -4.455 1.00 0.00 N ATOM 0 H LYS A 22 12.465 -0.178 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 22 11.816 2.521 -2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.213 2.987 -2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.898 1.835 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.725 1.026 -2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.355 -0.002 -3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.343 0.540 -5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.860 2.191 -5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.628 -0.290 -5.062 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.629 0.951 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.259 1.763 -5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.981 2.441 -4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.717 1.005 -3.620 1.00 0.00 H new ATOM 371 N ASP A 23 11.914 1.463 -5.517 1.00 0.00 N ATOM 372 CA ASP A 23 11.793 1.833 -6.905 1.00 0.00 C ATOM 373 C ASP A 23 10.466 2.541 -7.176 1.00 0.00 C ATOM 374 O ASP A 23 10.402 3.711 -7.497 1.00 0.00 O ATOM 375 CB ASP A 23 11.995 0.673 -7.910 1.00 0.00 C ATOM 376 CG ASP A 23 13.479 0.399 -8.225 1.00 0.00 C ATOM 377 OD1 ASP A 23 14.275 1.339 -8.227 1.00 0.00 O ATOM 378 OD2 ASP A 23 13.820 -0.753 -8.485 1.00 0.00 O ATOM 0 H ASP A 23 11.747 0.477 -5.315 1.00 0.00 H new ATOM 0 HA ASP A 23 12.621 2.520 -7.078 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.542 -0.233 -7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.470 0.907 -8.836 1.00 0.00 H new ATOM 383 N ALA A 24 9.400 1.765 -6.990 1.00 0.00 N ATOM 384 CA ALA A 24 8.045 2.293 -7.176 1.00 0.00 C ATOM 385 C ALA A 24 7.863 3.626 -6.402 1.00 0.00 C ATOM 386 O ALA A 24 7.211 4.542 -6.881 1.00 0.00 O ATOM 387 CB ALA A 24 7.074 1.200 -6.748 1.00 0.00 C ATOM 0 H ALA A 24 9.443 0.784 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 24 7.850 2.545 -8.218 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.050 1.554 -6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.228 0.314 -7.364 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.247 0.949 -5.702 1.00 0.00 H new ATOM 393 N GLU A 25 8.492 3.666 -5.203 1.00 0.00 N ATOM 394 CA GLU A 25 8.482 4.850 -4.355 1.00 0.00 C ATOM 395 C GLU A 25 9.238 6.013 -5.028 1.00 0.00 C ATOM 396 O GLU A 25 8.805 7.146 -4.941 1.00 0.00 O ATOM 397 CB GLU A 25 9.105 4.568 -2.988 1.00 0.00 C ATOM 398 CG GLU A 25 8.184 3.772 -2.057 1.00 0.00 C ATOM 399 CD GLU A 25 8.527 3.997 -0.574 1.00 0.00 C ATOM 400 OE1 GLU A 25 9.669 4.328 -0.255 1.00 0.00 O ATOM 401 OE2 GLU A 25 7.636 3.851 0.255 1.00 0.00 O ATOM 0 H GLU A 25 9.011 2.880 -4.813 1.00 0.00 H new ATOM 0 HA GLU A 25 7.439 5.130 -4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.035 4.017 -3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.363 5.514 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.149 4.062 -2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.263 2.710 -2.290 1.00 0.00 H new ATOM 408 N ARG A 26 10.361 5.691 -5.720 1.00 0.00 N ATOM 409 CA ARG A 26 11.200 6.705 -6.373 1.00 0.00 C ATOM 410 C ARG A 26 10.428 7.441 -7.476 1.00 0.00 C ATOM 411 O ARG A 26 10.612 8.627 -7.718 1.00 0.00 O ATOM 412 CB ARG A 26 12.474 6.053 -6.976 1.00 0.00 C ATOM 413 CG ARG A 26 12.399 5.535 -8.432 1.00 0.00 C ATOM 414 CD ARG A 26 13.289 4.318 -8.719 1.00 0.00 C ATOM 415 NE ARG A 26 14.262 4.625 -9.764 1.00 0.00 N ATOM 416 CZ ARG A 26 15.381 5.342 -9.516 1.00 0.00 C ATOM 417 NH1 ARG A 26 15.641 5.808 -8.300 1.00 0.00 N ATOM 418 NH2 ARG A 26 16.237 5.591 -10.499 1.00 0.00 N ATOM 0 H ARG A 26 10.698 4.735 -5.835 1.00 0.00 H new ATOM 0 HA ARG A 26 11.492 7.429 -5.612 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.282 6.783 -6.921 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.757 5.216 -6.337 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.365 5.275 -8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.681 6.343 -9.107 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.808 4.018 -7.809 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.672 3.474 -9.027 1.00 0.00 H new ATOM 0 HE ARG A 26 14.092 4.288 -10.711 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.991 5.627 -7.535 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.490 6.347 -8.131 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.050 5.242 -11.439 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.082 6.132 -10.315 1.00 0.00 H new ATOM 432 N GLN A 27 9.514 6.651 -8.079 1.00 0.00 N ATOM 433 CA GLN A 27 8.711 7.175 -9.179 1.00 0.00 C ATOM 434 C GLN A 27 7.604 8.102 -8.670 1.00 0.00 C ATOM 435 O GLN A 27 7.414 9.210 -9.158 1.00 0.00 O ATOM 436 CB GLN A 27 8.097 6.028 -10.000 1.00 0.00 C ATOM 437 CG GLN A 27 9.144 4.991 -10.447 1.00 0.00 C ATOM 438 CD GLN A 27 8.792 4.329 -11.796 1.00 0.00 C ATOM 439 OE1 GLN A 27 8.028 4.848 -12.600 1.00 0.00 O ATOM 440 NE2 GLN A 27 9.430 3.169 -12.006 1.00 0.00 N ATOM 0 H GLN A 27 9.325 5.681 -7.826 1.00 0.00 H new ATOM 0 HA GLN A 27 9.375 7.754 -9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.330 5.531 -9.406 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.602 6.440 -10.879 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.117 5.476 -10.528 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.235 4.220 -9.682 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.054 2.793 -11.292 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.292 2.662 -12.880 1.00 0.00 H new ATOM 449 N LEU A 28 6.856 7.563 -7.682 1.00 0.00 N ATOM 450 CA LEU A 28 5.768 8.326 -7.094 1.00 0.00 C ATOM 451 C LEU A 28 6.279 9.620 -6.438 1.00 0.00 C ATOM 452 O LEU A 28 5.637 10.654 -6.522 1.00 0.00 O ATOM 453 CB LEU A 28 5.051 7.423 -6.084 1.00 0.00 C ATOM 454 CG LEU A 28 4.569 6.131 -6.757 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.655 4.957 -5.798 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.131 6.328 -7.223 1.00 0.00 C ATOM 0 H LEU A 28 6.990 6.629 -7.294 1.00 0.00 H new ATOM 0 HA LEU A 28 5.069 8.637 -7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.725 7.181 -5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.202 7.953 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 28 5.209 5.910 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.308 4.053 -6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.689 4.822 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.030 5.152 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.776 5.416 -7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.498 6.556 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.089 7.153 -7.934 1.00 0.00 H new ATOM 468 N LEU A 29 7.469 9.506 -5.796 1.00 0.00 N ATOM 469 CA LEU A 29 8.088 10.638 -5.103 1.00 0.00 C ATOM 470 C LEU A 29 8.584 11.728 -6.064 1.00 0.00 C ATOM 471 O LEU A 29 9.099 12.748 -5.626 1.00 0.00 O ATOM 472 CB LEU A 29 9.258 10.159 -4.231 1.00 0.00 C ATOM 473 CG LEU A 29 8.799 9.329 -3.027 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.926 8.406 -2.569 1.00 0.00 C ATOM 475 CD2 LEU A 29 8.339 10.223 -1.865 1.00 0.00 C ATOM 0 H LEU A 29 8.008 8.641 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 29 7.310 11.078 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.939 9.563 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.820 11.024 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 29 7.945 8.729 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.591 7.820 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.200 7.735 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.792 9.003 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.021 9.599 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.164 10.861 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.505 10.844 -2.192 1.00 0.00 H new ATOM 487 N ALA A 30 8.427 11.471 -7.376 1.00 0.00 N ATOM 488 CA ALA A 30 8.825 12.471 -8.356 1.00 0.00 C ATOM 489 C ALA A 30 7.932 13.718 -8.212 1.00 0.00 C ATOM 490 O ALA A 30 6.732 13.599 -7.996 1.00 0.00 O ATOM 491 CB ALA A 30 8.731 11.966 -9.797 1.00 0.00 C ATOM 0 H ALA A 30 8.041 10.609 -7.762 1.00 0.00 H new ATOM 0 HA ALA A 30 9.870 12.708 -8.156 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.041 12.757 -10.481 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.383 11.102 -9.923 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.702 11.679 -10.016 1.00 0.00 H new ATOM 497 N PRO A 31 8.565 14.919 -8.355 1.00 0.00 N ATOM 498 CA PRO A 31 7.825 16.168 -8.247 1.00 0.00 C ATOM 499 C PRO A 31 6.845 16.422 -9.396 1.00 0.00 C ATOM 500 O PRO A 31 6.034 17.337 -9.349 1.00 0.00 O ATOM 501 CB PRO A 31 8.915 17.259 -8.328 1.00 0.00 C ATOM 502 CG PRO A 31 10.255 16.568 -8.564 1.00 0.00 C ATOM 503 CD PRO A 31 10.002 15.084 -8.474 1.00 0.00 C ATOM 0 HA PRO A 31 7.228 16.153 -7.335 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.698 17.956 -9.137 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.943 17.840 -7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 31 10.660 16.833 -9.541 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.988 16.881 -7.820 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.380 14.571 -9.359 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.515 14.654 -7.613 1.00 0.00 H new ATOM 511 N MET A 32 6.917 15.529 -10.396 1.00 0.00 N ATOM 512 CA MET A 32 6.007 15.628 -11.508 1.00 0.00 C ATOM 513 C MET A 32 4.599 15.178 -11.068 1.00 0.00 C ATOM 514 O MET A 32 3.591 15.760 -11.444 1.00 0.00 O ATOM 515 CB MET A 32 6.579 14.703 -12.583 1.00 0.00 C ATOM 516 CG MET A 32 7.572 15.386 -13.531 1.00 0.00 C ATOM 517 SD MET A 32 8.607 14.174 -14.371 1.00 0.00 S ATOM 518 CE MET A 32 9.836 13.937 -13.071 1.00 0.00 C ATOM 0 H MET A 32 7.582 14.757 -10.443 1.00 0.00 H new ATOM 0 HA MET A 32 5.909 16.647 -11.882 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.075 13.863 -12.098 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.757 14.292 -13.169 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.028 15.977 -14.268 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.200 16.077 -12.968 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.786 14.371 -13.385 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.498 14.426 -12.157 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.968 12.871 -12.885 1.00 0.00 H new ATOM 528 N ASN A 33 4.625 14.075 -10.293 1.00 0.00 N ATOM 529 CA ASN A 33 3.420 13.466 -9.741 1.00 0.00 C ATOM 530 C ASN A 33 3.161 13.878 -8.280 1.00 0.00 C ATOM 531 O ASN A 33 4.002 14.465 -7.611 1.00 0.00 O ATOM 532 CB ASN A 33 3.487 11.951 -9.948 1.00 0.00 C ATOM 533 CG ASN A 33 3.044 11.591 -11.366 1.00 0.00 C ATOM 534 OD1 ASN A 33 2.124 10.820 -11.570 1.00 0.00 O ATOM 535 ND2 ASN A 33 3.699 12.222 -12.338 1.00 0.00 N ATOM 0 H ASN A 33 5.485 13.590 -10.038 1.00 0.00 H new ATOM 0 HA ASN A 33 2.551 13.843 -10.280 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.504 11.598 -9.776 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.848 11.449 -9.221 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.437 12.070 -13.312 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.463 12.858 -12.109 1.00 0.00 H new ATOM 542 N LYS A 34 1.947 13.503 -7.842 1.00 0.00 N ATOM 543 CA LYS A 34 1.535 13.767 -6.475 1.00 0.00 C ATOM 544 C LYS A 34 0.562 12.670 -6.010 1.00 0.00 C ATOM 545 O LYS A 34 0.306 11.720 -6.722 1.00 0.00 O ATOM 546 CB LYS A 34 0.965 15.179 -6.385 1.00 0.00 C ATOM 547 CG LYS A 34 -0.091 15.511 -7.457 1.00 0.00 C ATOM 548 CD LYS A 34 -1.323 14.614 -7.348 1.00 0.00 C ATOM 549 CE LYS A 34 -2.548 15.157 -8.076 1.00 0.00 C ATOM 550 NZ LYS A 34 -3.056 16.346 -7.409 1.00 0.00 N ATOM 0 H LYS A 34 1.251 13.024 -8.414 1.00 0.00 H new ATOM 0 HA LYS A 34 2.384 13.731 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.519 15.315 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.784 15.894 -6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.392 16.554 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.351 15.400 -8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.081 13.630 -7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.569 14.477 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.289 15.395 -9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.325 14.393 -8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.028 16.534 -7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.051 16.196 -6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.452 17.160 -7.643 1.00 0.00 H new ATOM 564 N ALA A 35 -0.121 13.001 -4.879 1.00 0.00 N ATOM 565 CA ALA A 35 -1.125 12.148 -4.262 1.00 0.00 C ATOM 566 C ALA A 35 -2.139 11.687 -5.323 1.00 0.00 C ATOM 567 O ALA A 35 -2.995 12.451 -5.748 1.00 0.00 O ATOM 568 CB ALA A 35 -1.788 12.941 -3.109 1.00 0.00 C ATOM 0 H ALA A 35 0.026 13.879 -4.381 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.677 11.246 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.546 12.321 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.031 13.219 -2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.255 13.841 -3.508 1.00 0.00 H new ATOM 574 N GLY A 36 -1.986 10.397 -5.718 1.00 0.00 N ATOM 575 CA GLY A 36 -2.851 9.849 -6.753 1.00 0.00 C ATOM 576 C GLY A 36 -2.118 8.872 -7.689 1.00 0.00 C ATOM 577 O GLY A 36 -2.681 7.884 -8.123 1.00 0.00 O ATOM 0 H GLY A 36 -1.293 9.750 -5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.690 9.335 -6.284 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.267 10.666 -7.342 1.00 0.00 H new ATOM 581 N SER A 37 -0.834 9.173 -7.953 1.00 0.00 N ATOM 582 CA SER A 37 0.050 8.252 -8.678 1.00 0.00 C ATOM 583 C SER A 37 0.217 7.059 -7.738 1.00 0.00 C ATOM 584 O SER A 37 0.469 7.212 -6.539 1.00 0.00 O ATOM 585 CB SER A 37 1.432 8.951 -8.814 1.00 0.00 C ATOM 586 OG SER A 37 1.846 9.728 -7.620 1.00 0.00 O ATOM 0 H SER A 37 -0.389 10.047 -7.674 1.00 0.00 H new ATOM 0 HA SER A 37 -0.330 7.968 -9.659 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.189 8.195 -9.021 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.405 9.619 -9.675 1.00 0.00 H new ATOM 0 HG SER A 37 1.376 10.588 -7.610 1.00 0.00 H new ATOM 592 N PHE A 38 0.077 5.871 -8.374 1.00 0.00 N ATOM 593 CA PHE A 38 0.183 4.624 -7.622 1.00 0.00 C ATOM 594 C PHE A 38 1.062 3.617 -8.433 1.00 0.00 C ATOM 595 O PHE A 38 1.322 3.777 -9.624 1.00 0.00 O ATOM 596 CB PHE A 38 -1.222 3.978 -7.442 1.00 0.00 C ATOM 597 CG PHE A 38 -2.169 4.389 -6.332 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.421 5.697 -5.974 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.899 3.407 -5.675 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.406 6.032 -5.055 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.860 3.716 -4.721 1.00 0.00 C ATOM 602 CZ PHE A 38 -4.124 5.041 -4.420 1.00 0.00 C ATOM 0 H PHE A 38 -0.103 5.762 -9.372 1.00 0.00 H new ATOM 0 HA PHE A 38 0.621 4.841 -6.648 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.757 4.127 -8.380 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.061 2.905 -7.334 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.834 6.485 -6.422 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.714 2.370 -5.913 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.610 7.070 -4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.398 2.927 -4.217 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.884 5.296 -3.696 1.00 0.00 H new ATOM 612 N LEU A 39 1.436 2.552 -7.686 1.00 0.00 N ATOM 613 CA LEU A 39 2.267 1.420 -8.065 1.00 0.00 C ATOM 614 C LEU A 39 1.863 0.204 -7.287 1.00 0.00 C ATOM 615 O LEU A 39 1.646 0.340 -6.097 1.00 0.00 O ATOM 616 CB LEU A 39 3.768 1.649 -7.803 1.00 0.00 C ATOM 617 CG LEU A 39 4.525 2.304 -8.968 1.00 0.00 C ATOM 618 CD1 LEU A 39 4.334 1.331 -10.077 1.00 0.00 C ATOM 619 CD2 LEU A 39 4.159 3.733 -9.548 1.00 0.00 C ATOM 0 H LEU A 39 1.128 2.471 -6.717 1.00 0.00 H new ATOM 0 HA LEU A 39 2.117 1.289 -9.137 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.878 2.275 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.235 0.690 -7.576 1.00 0.00 H new ATOM 0 HG LEU A 39 5.514 2.512 -8.559 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.837 1.696 -10.972 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.755 0.367 -9.792 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.269 1.216 -10.280 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.836 3.978 -10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.133 3.724 -9.916 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.256 4.481 -8.761 1.00 0.00 H new ATOM 631 N ILE A 40 1.789 -0.972 -7.984 1.00 0.00 N ATOM 632 CA ILE A 40 1.351 -2.126 -7.207 1.00 0.00 C ATOM 633 C ILE A 40 2.362 -3.233 -7.615 1.00 0.00 C ATOM 634 O ILE A 40 2.225 -3.866 -8.656 1.00 0.00 O ATOM 635 CB ILE A 40 -0.158 -2.389 -7.544 1.00 0.00 C ATOM 636 CG1 ILE A 40 -0.961 -2.995 -6.406 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.406 -3.435 -8.617 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.429 -2.545 -6.577 1.00 0.00 C ATOM 0 H ILE A 40 2.004 -1.121 -8.970 1.00 0.00 H new ATOM 0 HA ILE A 40 1.363 -2.030 -6.121 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.455 -1.379 -7.827 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.890 -4.083 -6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.569 -2.666 -5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.479 -3.544 -8.778 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.070 -3.123 -9.546 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.012 -4.390 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.034 -2.964 -5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.482 -1.457 -6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.808 -2.896 -7.537 1.00 0.00 H new ATOM 650 N ARG A 41 3.404 -3.432 -6.775 1.00 0.00 N ATOM 651 CA ARG A 41 4.363 -4.442 -7.163 1.00 0.00 C ATOM 652 C ARG A 41 4.006 -5.756 -6.460 1.00 0.00 C ATOM 653 O ARG A 41 3.201 -5.773 -5.546 1.00 0.00 O ATOM 654 CB ARG A 41 5.748 -3.932 -6.735 1.00 0.00 C ATOM 655 CG ARG A 41 6.031 -4.032 -5.221 1.00 0.00 C ATOM 656 CD ARG A 41 7.009 -5.171 -4.888 1.00 0.00 C ATOM 657 NE ARG A 41 6.675 -5.803 -3.613 1.00 0.00 N ATOM 658 CZ ARG A 41 7.112 -5.316 -2.436 1.00 0.00 C ATOM 659 NH1 ARG A 41 7.804 -4.186 -2.386 1.00 0.00 N ATOM 660 NH2 ARG A 41 6.853 -5.967 -1.311 1.00 0.00 N ATOM 0 H ARG A 41 3.580 -2.942 -5.898 1.00 0.00 H new ATOM 0 HA ARG A 41 4.358 -4.627 -8.237 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.510 -4.497 -7.272 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.848 -2.891 -7.042 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.442 -3.087 -4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.094 -4.192 -4.688 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.986 -5.917 -5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.026 -4.780 -4.847 1.00 0.00 H new ATOM 0 HE ARG A 41 6.092 -6.640 -3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.010 -3.676 -3.245 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.130 -3.827 -1.489 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.322 -6.838 -1.336 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.184 -5.597 -0.420 1.00 0.00 H new ATOM 674 N GLU A 42 4.661 -6.829 -6.938 1.00 0.00 N ATOM 675 CA GLU A 42 4.420 -8.156 -6.404 1.00 0.00 C ATOM 676 C GLU A 42 5.519 -8.530 -5.418 1.00 0.00 C ATOM 677 O GLU A 42 6.690 -8.280 -5.667 1.00 0.00 O ATOM 678 CB GLU A 42 4.262 -9.240 -7.490 1.00 0.00 C ATOM 679 CG GLU A 42 5.514 -9.948 -8.024 1.00 0.00 C ATOM 680 CD GLU A 42 5.138 -11.210 -8.814 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.468 -12.083 -8.255 1.00 0.00 O ATOM 682 OE2 GLU A 42 5.517 -11.309 -9.978 1.00 0.00 O ATOM 0 H GLU A 42 5.353 -6.791 -7.687 1.00 0.00 H new ATOM 0 HA GLU A 42 3.462 -8.115 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.594 -10.006 -7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.755 -8.783 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.076 -9.268 -8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.167 -10.216 -7.193 1.00 0.00 H new ATOM 689 N SER A 43 5.131 -9.178 -4.303 1.00 0.00 N ATOM 690 CA SER A 43 6.207 -9.632 -3.418 1.00 0.00 C ATOM 691 C SER A 43 6.774 -10.892 -4.137 1.00 0.00 C ATOM 692 O SER A 43 6.049 -11.826 -4.426 1.00 0.00 O ATOM 693 CB SER A 43 5.605 -9.870 -1.991 1.00 0.00 C ATOM 694 OG SER A 43 6.503 -9.744 -0.805 1.00 0.00 O ATOM 0 H SER A 43 4.174 -9.383 -4.015 1.00 0.00 H new ATOM 0 HA SER A 43 7.022 -8.928 -3.251 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.781 -9.168 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.176 -10.872 -1.976 1.00 0.00 H new ATOM 0 HG SER A 43 5.991 -9.917 0.013 1.00 0.00 H new ATOM 700 N GLU A 44 8.069 -10.879 -4.485 1.00 0.00 N ATOM 701 CA GLU A 44 8.631 -12.023 -5.211 1.00 0.00 C ATOM 702 C GLU A 44 8.797 -13.313 -4.348 1.00 0.00 C ATOM 703 O GLU A 44 9.589 -14.188 -4.678 1.00 0.00 O ATOM 704 CB GLU A 44 9.943 -11.646 -5.880 1.00 0.00 C ATOM 705 CG GLU A 44 11.095 -11.275 -4.936 1.00 0.00 C ATOM 706 CD GLU A 44 10.897 -9.944 -4.186 1.00 0.00 C ATOM 707 OE1 GLU A 44 10.673 -8.926 -4.838 1.00 0.00 O ATOM 708 OE2 GLU A 44 10.959 -9.940 -2.957 1.00 0.00 O ATOM 0 H GLU A 44 8.723 -10.122 -4.285 1.00 0.00 H new ATOM 0 HA GLU A 44 7.895 -12.276 -5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.264 -12.481 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.760 -10.803 -6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.223 -12.074 -4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.018 -11.220 -5.513 1.00 0.00 H new ATOM 715 N SER A 45 8.065 -13.360 -3.207 1.00 0.00 N ATOM 716 CA SER A 45 8.112 -14.513 -2.312 1.00 0.00 C ATOM 717 C SER A 45 6.732 -14.801 -1.669 1.00 0.00 C ATOM 718 O SER A 45 6.642 -15.427 -0.624 1.00 0.00 O ATOM 719 CB SER A 45 9.222 -14.319 -1.273 1.00 0.00 C ATOM 720 OG SER A 45 8.754 -13.251 -0.327 1.00 0.00 O ATOM 0 H SER A 45 7.444 -12.612 -2.898 1.00 0.00 H new ATOM 0 HA SER A 45 8.354 -15.401 -2.896 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.418 -15.249 -0.739 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.155 -14.026 -1.755 1.00 0.00 H new ATOM 0 HG SER A 45 9.438 -13.097 0.357 1.00 0.00 H new ATOM 726 N ASN A 46 5.670 -14.279 -2.319 1.00 0.00 N ATOM 727 CA ASN A 46 4.293 -14.432 -1.857 1.00 0.00 C ATOM 728 C ASN A 46 3.421 -15.445 -2.621 1.00 0.00 C ATOM 729 O ASN A 46 3.698 -15.850 -3.741 1.00 0.00 O ATOM 730 CB ASN A 46 3.601 -13.074 -1.939 1.00 0.00 C ATOM 731 CG ASN A 46 3.621 -12.391 -3.326 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.548 -11.185 -3.400 1.00 0.00 O ATOM 733 ND2 ASN A 46 3.738 -13.156 -4.414 1.00 0.00 N ATOM 0 H ASN A 46 5.754 -13.740 -3.181 1.00 0.00 H new ATOM 0 HA ASN A 46 4.383 -14.825 -0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.563 -13.197 -1.631 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.070 -12.404 -1.218 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.768 -12.726 -5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.797 -14.170 -4.321 1.00 0.00 H new ATOM 740 N LYS A 47 2.341 -15.834 -1.917 1.00 0.00 N ATOM 741 CA LYS A 47 1.257 -16.639 -2.481 1.00 0.00 C ATOM 742 C LYS A 47 0.352 -15.861 -3.460 1.00 0.00 C ATOM 743 O LYS A 47 -0.854 -16.068 -3.468 1.00 0.00 O ATOM 744 CB LYS A 47 0.520 -17.507 -1.465 1.00 0.00 C ATOM 745 CG LYS A 47 0.189 -16.746 -0.225 1.00 0.00 C ATOM 746 CD LYS A 47 -0.566 -15.467 -0.527 1.00 0.00 C ATOM 747 CE LYS A 47 -0.960 -14.725 0.720 1.00 0.00 C ATOM 748 NZ LYS A 47 -2.239 -14.036 0.575 1.00 0.00 N ATOM 0 H LYS A 47 2.202 -15.594 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 47 1.755 -17.375 -3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.397 -17.891 -1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.135 -18.370 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.410 -17.373 0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.108 -16.507 0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.053 -14.822 -1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.460 -15.704 -1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.020 -15.425 1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.185 -14.000 0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.640 -13.847 1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.094 -13.136 0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.895 -14.633 0.032 1.00 0.00 H new ATOM 762 N GLY A 48 0.948 -14.968 -4.270 1.00 0.00 N ATOM 763 CA GLY A 48 0.135 -14.158 -5.164 1.00 0.00 C ATOM 764 C GLY A 48 -0.269 -12.827 -4.500 1.00 0.00 C ATOM 765 O GLY A 48 -1.359 -12.311 -4.709 1.00 0.00 O ATOM 0 H GLY A 48 1.953 -14.799 -4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.689 -13.956 -6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.760 -14.712 -5.448 1.00 0.00 H new ATOM 769 N ALA A 49 0.694 -12.307 -3.701 1.00 0.00 N ATOM 770 CA ALA A 49 0.483 -11.026 -2.989 1.00 0.00 C ATOM 771 C ALA A 49 1.103 -9.832 -3.763 1.00 0.00 C ATOM 772 O ALA A 49 1.873 -9.982 -4.704 1.00 0.00 O ATOM 773 CB ALA A 49 1.044 -11.060 -1.543 1.00 0.00 C ATOM 0 H ALA A 49 1.602 -12.742 -3.536 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.596 -10.885 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.866 -10.099 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.545 -11.847 -0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.115 -11.258 -1.573 1.00 0.00 H new ATOM 779 N PHE A 50 0.688 -8.631 -3.322 1.00 0.00 N ATOM 780 CA PHE A 50 1.164 -7.386 -3.928 1.00 0.00 C ATOM 781 C PHE A 50 1.353 -6.332 -2.800 1.00 0.00 C ATOM 782 O PHE A 50 1.040 -6.576 -1.639 1.00 0.00 O ATOM 783 CB PHE A 50 0.213 -6.944 -5.086 1.00 0.00 C ATOM 784 CG PHE A 50 0.290 -7.782 -6.343 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.420 -8.976 -6.419 1.00 0.00 C ATOM 786 CD2 PHE A 50 1.029 -7.381 -7.453 1.00 0.00 C ATOM 787 CE1 PHE A 50 -0.395 -9.747 -7.569 1.00 0.00 C ATOM 788 CE2 PHE A 50 1.041 -8.143 -8.612 1.00 0.00 C ATOM 789 CZ PHE A 50 0.327 -9.329 -8.673 1.00 0.00 C ATOM 0 H PHE A 50 0.029 -8.502 -2.554 1.00 0.00 H new ATOM 0 HA PHE A 50 2.136 -7.518 -4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.813 -6.964 -4.719 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.439 -5.910 -5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.999 -9.306 -5.569 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.600 -6.465 -7.411 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.941 -10.678 -7.604 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.608 -7.811 -9.469 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.334 -9.923 -9.575 1.00 0.00 H new ATOM 799 N SER A 51 1.829 -5.143 -3.225 1.00 0.00 N ATOM 800 CA SER A 51 2.090 -4.006 -2.346 1.00 0.00 C ATOM 801 C SER A 51 1.810 -2.734 -3.171 1.00 0.00 C ATOM 802 O SER A 51 2.421 -2.551 -4.213 1.00 0.00 O ATOM 803 CB SER A 51 3.568 -3.969 -1.884 1.00 0.00 C ATOM 804 OG SER A 51 3.756 -5.244 -1.101 1.00 0.00 O ATOM 0 H SER A 51 2.043 -4.953 -4.204 1.00 0.00 H new ATOM 0 HA SER A 51 1.462 -4.081 -1.459 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.248 -3.923 -2.735 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.769 -3.093 -1.268 1.00 0.00 H new ATOM 0 HG SER A 51 4.539 -5.158 -0.518 1.00 0.00 H new ATOM 810 N LEU A 52 0.892 -1.883 -2.675 1.00 0.00 N ATOM 811 CA LEU A 52 0.534 -0.649 -3.393 1.00 0.00 C ATOM 812 C LEU A 52 1.173 0.576 -2.682 1.00 0.00 C ATOM 813 O LEU A 52 1.230 0.638 -1.464 1.00 0.00 O ATOM 814 CB LEU A 52 -1.016 -0.591 -3.262 1.00 0.00 C ATOM 815 CG LEU A 52 -1.746 0.465 -4.108 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.290 0.366 -5.558 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.290 0.344 -3.999 1.00 0.00 C ATOM 0 H LEU A 52 0.394 -2.024 -1.796 1.00 0.00 H new ATOM 0 HA LEU A 52 0.877 -0.636 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.416 -1.571 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.262 -0.416 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.485 1.448 -3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.809 1.116 -6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.215 0.538 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.519 -0.627 -5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.759 1.112 -4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.603 -0.641 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.593 0.476 -2.960 1.00 0.00 H new ATOM 829 N SER A 53 1.715 1.478 -3.533 1.00 0.00 N ATOM 830 CA SER A 53 2.390 2.722 -3.173 1.00 0.00 C ATOM 831 C SER A 53 1.553 3.939 -3.625 1.00 0.00 C ATOM 832 O SER A 53 1.056 3.927 -4.738 1.00 0.00 O ATOM 833 CB SER A 53 3.765 2.774 -3.836 1.00 0.00 C ATOM 834 OG SER A 53 4.513 1.631 -3.211 1.00 0.00 O ATOM 0 H SER A 53 1.685 1.338 -4.543 1.00 0.00 H new ATOM 0 HA SER A 53 2.506 2.755 -2.090 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.691 2.659 -4.917 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.262 3.726 -3.650 1.00 0.00 H new ATOM 0 HG SER A 53 5.418 1.589 -3.585 1.00 0.00 H new ATOM 840 N VAL A 54 1.435 4.982 -2.776 1.00 0.00 N ATOM 841 CA VAL A 54 0.693 6.182 -3.205 1.00 0.00 C ATOM 842 C VAL A 54 1.453 7.377 -2.655 1.00 0.00 C ATOM 843 O VAL A 54 2.047 7.260 -1.598 1.00 0.00 O ATOM 844 CB VAL A 54 -0.755 6.245 -2.681 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.529 7.453 -3.244 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.420 4.907 -2.927 1.00 0.00 C ATOM 0 H VAL A 54 1.824 5.019 -1.834 1.00 0.00 H new ATOM 0 HA VAL A 54 0.623 6.167 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.753 6.419 -1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.543 7.453 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.025 8.375 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.567 7.386 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.446 4.938 -2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.423 4.693 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.871 4.126 -2.402 1.00 0.00 H new ATOM 856 N LYS A 55 1.355 8.548 -3.293 1.00 0.00 N ATOM 857 CA LYS A 55 2.121 9.611 -2.656 1.00 0.00 C ATOM 858 C LYS A 55 1.334 10.240 -1.496 1.00 0.00 C ATOM 859 O LYS A 55 0.243 10.793 -1.674 1.00 0.00 O ATOM 860 CB LYS A 55 2.313 10.642 -3.744 1.00 0.00 C ATOM 861 CG LYS A 55 2.886 12.024 -3.418 1.00 0.00 C ATOM 862 CD LYS A 55 4.312 12.169 -3.918 1.00 0.00 C ATOM 863 CE LYS A 55 5.278 11.616 -2.889 1.00 0.00 C ATOM 864 NZ LYS A 55 5.433 10.175 -2.991 1.00 0.00 N ATOM 0 H LYS A 55 0.827 8.767 -4.138 1.00 0.00 H new ATOM 0 HA LYS A 55 3.058 9.239 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.961 10.196 -4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.341 10.800 -4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.261 12.794 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.859 12.185 -2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.431 11.639 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.534 13.219 -4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.250 12.093 -3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.925 11.871 -1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.326 9.747 -2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.707 9.792 -3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.377 9.953 -3.366 1.00 0.00 H new ATOM 878 N ASP A 56 1.988 10.216 -0.314 1.00 0.00 N ATOM 879 CA ASP A 56 1.307 10.867 0.798 1.00 0.00 C ATOM 880 C ASP A 56 2.063 12.171 1.001 1.00 0.00 C ATOM 881 O ASP A 56 3.282 12.246 1.010 1.00 0.00 O ATOM 882 CB ASP A 56 1.378 9.979 2.049 1.00 0.00 C ATOM 883 CG ASP A 56 1.211 10.740 3.381 1.00 0.00 C ATOM 884 OD1 ASP A 56 0.306 11.567 3.483 1.00 0.00 O ATOM 885 OD2 ASP A 56 1.978 10.490 4.305 1.00 0.00 O ATOM 0 H ASP A 56 2.897 9.795 -0.123 1.00 0.00 H new ATOM 0 HA ASP A 56 0.249 11.042 0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.604 9.215 1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.337 9.461 2.058 1.00 0.00 H new ATOM 890 N ILE A 57 1.204 13.202 1.083 1.00 0.00 N ATOM 891 CA ILE A 57 1.699 14.556 1.231 1.00 0.00 C ATOM 892 C ILE A 57 1.202 15.137 2.541 1.00 0.00 C ATOM 893 O ILE A 57 0.022 15.399 2.726 1.00 0.00 O ATOM 894 CB ILE A 57 1.223 15.388 0.030 1.00 0.00 C ATOM 895 CG1 ILE A 57 1.431 14.636 -1.302 1.00 0.00 C ATOM 896 CG2 ILE A 57 1.912 16.747 0.015 1.00 0.00 C ATOM 897 CD1 ILE A 57 1.573 15.530 -2.529 1.00 0.00 C ATOM 0 H ILE A 57 0.188 13.115 1.049 1.00 0.00 H new ATOM 0 HA ILE A 57 2.789 14.567 1.253 1.00 0.00 H new ATOM 0 HB ILE A 57 0.151 15.551 0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.324 14.016 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.589 13.962 -1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.563 17.323 -0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.676 17.285 0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.991 16.607 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.715 14.912 -3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.672 16.132 -2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.434 16.187 -2.403 1.00 0.00 H new ATOM 909 N THR A 58 2.188 15.287 3.438 1.00 0.00 N ATOM 910 CA THR A 58 1.943 15.852 4.763 1.00 0.00 C ATOM 911 C THR A 58 2.894 17.035 4.985 1.00 0.00 C ATOM 912 O THR A 58 3.805 17.282 4.207 1.00 0.00 O ATOM 913 CB THR A 58 2.238 14.754 5.836 1.00 0.00 C ATOM 914 OG1 THR A 58 2.214 15.019 7.284 1.00 0.00 O ATOM 915 CG2 THR A 58 3.653 14.187 5.614 1.00 0.00 C ATOM 0 H THR A 58 3.158 15.024 3.266 1.00 0.00 H new ATOM 0 HA THR A 58 0.909 16.189 4.843 1.00 0.00 H new ATOM 0 HB THR A 58 1.367 14.126 5.649 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.425 14.195 7.771 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.860 13.421 6.362 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.717 13.748 4.618 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.385 14.990 5.705 1.00 0.00 H new ATOM 923 N THR A 59 2.597 17.781 6.072 1.00 0.00 N ATOM 924 CA THR A 59 3.409 18.914 6.531 1.00 0.00 C ATOM 925 C THR A 59 4.801 18.483 7.059 1.00 0.00 C ATOM 926 O THR A 59 5.449 19.249 7.758 1.00 0.00 O ATOM 927 CB THR A 59 2.681 19.916 7.458 1.00 0.00 C ATOM 928 OG1 THR A 59 3.364 21.209 7.573 1.00 0.00 O ATOM 929 CG2 THR A 59 2.193 19.202 8.762 1.00 0.00 C ATOM 0 H THR A 59 1.779 17.607 6.656 1.00 0.00 H new ATOM 0 HA THR A 59 3.590 19.494 5.626 1.00 0.00 H new ATOM 0 HB THR A 59 1.752 20.247 6.993 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.329 21.062 7.665 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.683 19.922 9.402 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.505 18.398 8.501 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.050 18.788 9.293 1.00 0.00 H new ATOM 937 N GLN A 60 5.196 17.220 6.778 1.00 0.00 N ATOM 938 CA GLN A 60 6.475 16.711 7.261 1.00 0.00 C ATOM 939 C GLN A 60 7.196 15.862 6.198 1.00 0.00 C ATOM 940 O GLN A 60 7.475 14.687 6.399 1.00 0.00 O ATOM 941 CB GLN A 60 6.214 15.878 8.515 1.00 0.00 C ATOM 942 CG GLN A 60 5.783 16.747 9.700 1.00 0.00 C ATOM 943 CD GLN A 60 5.786 15.935 10.998 1.00 0.00 C ATOM 944 OE1 GLN A 60 6.397 14.881 11.104 1.00 0.00 O ATOM 945 NE2 GLN A 60 5.062 16.493 11.976 1.00 0.00 N ATOM 0 H GLN A 60 4.651 16.555 6.229 1.00 0.00 H new ATOM 0 HA GLN A 60 7.128 17.554 7.487 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.440 15.140 8.306 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.117 15.327 8.779 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.457 17.598 9.797 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.786 17.148 9.519 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.579 17.376 11.812 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.993 16.035 12.885 1.00 0.00 H new ATOM 954 N GLY A 61 7.493 16.534 5.067 1.00 0.00 N ATOM 955 CA GLY A 61 8.186 15.847 3.981 1.00 0.00 C ATOM 956 C GLY A 61 7.212 15.046 3.107 1.00 0.00 C ATOM 957 O GLY A 61 6.164 14.597 3.556 1.00 0.00 O ATOM 0 H GLY A 61 7.270 17.514 4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.712 16.576 3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.939 15.177 4.396 1.00 0.00 H new ATOM 961 N GLU A 62 7.612 14.936 1.823 1.00 0.00 N ATOM 962 CA GLU A 62 6.840 14.196 0.848 1.00 0.00 C ATOM 963 C GLU A 62 7.231 12.704 0.939 1.00 0.00 C ATOM 964 O GLU A 62 8.406 12.362 0.880 1.00 0.00 O ATOM 965 CB GLU A 62 7.198 14.768 -0.526 1.00 0.00 C ATOM 966 CG GLU A 62 6.017 14.641 -1.476 1.00 0.00 C ATOM 967 CD GLU A 62 6.426 14.710 -2.956 1.00 0.00 C ATOM 968 OE1 GLU A 62 7.459 14.147 -3.320 1.00 0.00 O ATOM 969 OE2 GLU A 62 5.695 15.312 -3.735 1.00 0.00 O ATOM 0 H GLU A 62 8.466 15.355 1.454 1.00 0.00 H new ATOM 0 HA GLU A 62 5.767 14.281 1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.483 15.815 -0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.060 14.240 -0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.508 13.696 -1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.301 15.436 -1.265 1.00 0.00 H new ATOM 976 N VAL A 63 6.196 11.849 1.081 1.00 0.00 N ATOM 977 CA VAL A 63 6.431 10.416 1.229 1.00 0.00 C ATOM 978 C VAL A 63 5.466 9.635 0.334 1.00 0.00 C ATOM 979 O VAL A 63 4.652 10.198 -0.377 1.00 0.00 O ATOM 980 CB VAL A 63 6.212 10.033 2.708 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.010 10.942 3.654 1.00 0.00 C ATOM 982 CG2 VAL A 63 4.713 10.001 3.092 1.00 0.00 C ATOM 0 H VAL A 63 5.215 12.127 1.095 1.00 0.00 H new ATOM 0 HA VAL A 63 7.451 10.172 0.932 1.00 0.00 H new ATOM 0 HB VAL A 63 6.592 9.018 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.830 10.641 4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.073 10.855 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.694 11.976 3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.612 9.726 4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.275 10.986 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.195 9.268 2.474 1.00 0.00 H new ATOM 992 N VAL A 64 5.580 8.298 0.448 1.00 0.00 N ATOM 993 CA VAL A 64 4.694 7.401 -0.281 1.00 0.00 C ATOM 994 C VAL A 64 3.715 6.851 0.765 1.00 0.00 C ATOM 995 O VAL A 64 3.535 7.426 1.820 1.00 0.00 O ATOM 996 CB VAL A 64 5.487 6.333 -1.083 1.00 0.00 C ATOM 997 CG1 VAL A 64 4.688 5.592 -2.151 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.595 6.979 -1.847 1.00 0.00 C ATOM 0 H VAL A 64 6.272 7.830 1.033 1.00 0.00 H new ATOM 0 HA VAL A 64 4.129 7.907 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 64 5.810 5.631 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.333 4.870 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.853 5.070 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.307 6.306 -2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.143 6.220 -2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.180 7.710 -2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.272 7.479 -1.154 1.00 0.00 H new ATOM 1008 N LYS A 65 3.050 5.768 0.387 1.00 0.00 N ATOM 1009 CA LYS A 65 2.111 5.023 1.214 1.00 0.00 C ATOM 1010 C LYS A 65 2.288 3.539 0.974 1.00 0.00 C ATOM 1011 O LYS A 65 2.870 3.143 -0.019 1.00 0.00 O ATOM 1012 CB LYS A 65 0.683 5.408 0.858 1.00 0.00 C ATOM 1013 CG LYS A 65 0.368 6.807 1.354 1.00 0.00 C ATOM 1014 CD LYS A 65 0.351 6.883 2.891 1.00 0.00 C ATOM 1015 CE LYS A 65 -0.894 7.578 3.422 1.00 0.00 C ATOM 1016 NZ LYS A 65 -0.714 8.364 4.626 1.00 0.00 N ATOM 0 H LYS A 65 3.155 5.367 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 65 2.304 5.258 2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.546 5.360 -0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.013 4.694 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.109 7.505 0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.601 7.120 0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.405 5.875 3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.237 7.416 3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.284 8.230 2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.655 6.822 3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.397 8.056 5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.253 8.231 4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.868 9.370 4.410 1.00 0.00 H new ATOM 1030 N HIS A 66 1.698 2.744 1.888 1.00 0.00 N ATOM 1031 CA HIS A 66 1.754 1.300 1.728 1.00 0.00 C ATOM 1032 C HIS A 66 0.422 0.658 2.167 1.00 0.00 C ATOM 1033 O HIS A 66 0.022 0.778 3.318 1.00 0.00 O ATOM 1034 CB HIS A 66 2.859 0.738 2.627 1.00 0.00 C ATOM 1035 CG HIS A 66 4.216 1.082 2.076 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.150 1.747 2.781 1.00 0.00 N ATOM 1037 CD2 HIS A 66 4.735 0.781 0.807 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.211 1.845 1.967 1.00 0.00 C ATOM 1039 NE2 HIS A 66 5.992 1.268 0.770 1.00 0.00 N ATOM 0 H HIS A 66 1.197 3.073 2.713 1.00 0.00 H new ATOM 0 HA HIS A 66 1.947 1.076 0.679 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.756 1.142 3.634 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.756 -0.344 2.706 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.225 0.259 0.011 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.136 2.331 2.240 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.647 1.211 -0.010 1.00 0.00 H new ATOM 1047 N TYR A 67 -0.224 -0.028 1.203 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.474 -0.763 1.444 1.00 0.00 C ATOM 1049 C TYR A 67 -1.228 -2.216 0.983 1.00 0.00 C ATOM 1050 O TYR A 67 -0.873 -2.465 -0.163 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.663 -0.144 0.689 1.00 0.00 C ATOM 1052 CG TYR A 67 -3.066 1.176 1.288 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.764 1.203 2.487 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.701 2.368 0.685 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -4.054 2.418 3.096 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.973 3.593 1.281 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.657 3.629 2.522 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.955 4.757 3.297 1.00 0.00 O ATOM 0 H TYR A 67 0.108 -0.086 0.240 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.737 -0.720 2.501 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.398 -0.004 -0.359 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.509 -0.830 0.714 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.082 0.279 2.947 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.194 2.345 -0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.596 2.427 4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.666 4.511 0.802 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.647 5.563 2.833 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.403 -3.150 1.939 1.00 0.00 N ATOM 1069 CA LYS A 68 -1.207 -4.576 1.671 1.00 0.00 C ATOM 1070 C LYS A 68 -2.394 -5.138 0.844 1.00 0.00 C ATOM 1071 O LYS A 68 -3.507 -4.656 0.919 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.945 -5.371 2.955 1.00 0.00 C ATOM 1073 CG LYS A 68 -1.857 -5.011 4.110 1.00 0.00 C ATOM 1074 CD LYS A 68 -3.334 -5.082 3.736 1.00 0.00 C ATOM 1075 CE LYS A 68 -4.252 -5.313 4.924 1.00 0.00 C ATOM 1076 NZ LYS A 68 -5.503 -5.956 4.525 1.00 0.00 N ATOM 0 H LYS A 68 -1.679 -2.937 2.898 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.307 -4.691 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.055 -6.434 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.089 -5.213 3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.664 -5.686 4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.621 -4.004 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.620 -4.154 3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.479 -5.885 3.014 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.743 -5.934 5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.470 -4.360 5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.912 -6.456 5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.173 -5.234 4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.316 -6.635 3.760 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.085 -6.170 0.071 1.00 0.00 N ATOM 1091 CA ILE A 69 -2.943 -6.870 -0.865 1.00 0.00 C ATOM 1092 C ILE A 69 -2.699 -8.362 -0.898 1.00 0.00 C ATOM 1093 O ILE A 69 -1.695 -8.833 -1.421 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.078 -6.218 -2.235 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -1.799 -5.541 -2.676 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.364 -5.440 -2.474 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -2.017 -4.728 -3.936 1.00 0.00 C ATOM 0 H ILE A 69 -1.147 -6.570 0.087 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.944 -6.756 -0.450 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.216 -7.042 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.434 -4.892 -1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.029 -6.292 -2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.353 -5.019 -3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.218 -6.109 -2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.443 -4.634 -1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.081 -4.253 -4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.358 -5.383 -4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.769 -3.962 -3.749 1.00 0.00 H new ATOM 1109 N ARG A 70 -3.651 -9.075 -0.249 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.545 -10.522 -0.203 1.00 0.00 C ATOM 1111 C ARG A 70 -4.374 -11.101 -1.341 1.00 0.00 C ATOM 1112 O ARG A 70 -5.041 -10.377 -2.061 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.126 -11.027 1.126 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.130 -10.757 2.258 1.00 0.00 C ATOM 1115 CD ARG A 70 -3.569 -9.481 2.977 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.126 -9.460 4.371 1.00 0.00 N ATOM 1117 CZ ARG A 70 -3.749 -10.196 5.319 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -4.756 -11.000 4.998 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -3.359 -10.125 6.584 1.00 0.00 N ATOM 0 H ARG A 70 -4.462 -8.678 0.226 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.501 -10.823 -0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.072 -10.528 1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.337 -12.094 1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.105 -11.597 2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.122 -10.643 1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.166 -8.613 2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.655 -9.399 2.940 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.331 -8.878 4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.066 -11.067 4.029 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.219 -11.551 5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.586 -9.513 6.846 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.832 -10.682 7.296 1.00 0.00 H new ATOM 1133 N SER A 71 -4.358 -12.449 -1.374 1.00 0.00 N ATOM 1134 CA SER A 71 -5.098 -13.187 -2.391 1.00 0.00 C ATOM 1135 C SER A 71 -5.872 -14.309 -1.685 1.00 0.00 C ATOM 1136 O SER A 71 -5.309 -15.200 -1.062 1.00 0.00 O ATOM 1137 CB SER A 71 -4.181 -13.739 -3.511 1.00 0.00 C ATOM 1138 OG SER A 71 -3.457 -14.980 -3.054 1.00 0.00 O ATOM 0 H SER A 71 -3.845 -13.033 -0.713 1.00 0.00 H new ATOM 0 HA SER A 71 -5.789 -12.512 -2.896 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.777 -13.966 -4.395 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.457 -12.978 -3.802 1.00 0.00 H new ATOM 0 HG SER A 71 -2.551 -14.986 -3.427 1.00 0.00 H new ATOM 1144 N LEU A 72 -7.205 -14.144 -1.770 1.00 0.00 N ATOM 1145 CA LEU A 72 -8.164 -15.055 -1.158 1.00 0.00 C ATOM 1146 C LEU A 72 -8.564 -16.125 -2.150 1.00 0.00 C ATOM 1147 O LEU A 72 -8.364 -15.990 -3.353 1.00 0.00 O ATOM 1148 CB LEU A 72 -9.388 -14.307 -0.604 1.00 0.00 C ATOM 1149 CG LEU A 72 -9.045 -12.919 -0.119 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.778 -12.963 0.755 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -9.021 -11.934 -1.304 1.00 0.00 C ATOM 0 H LEU A 72 -7.640 -13.368 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.685 -15.537 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.151 -14.239 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.819 -14.880 0.217 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.818 -12.528 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.539 -11.957 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.952 -13.610 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.946 -13.353 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.773 -10.936 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.272 -12.254 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.001 -11.914 -1.780 1.00 0.00 H new ATOM 1163 N ASP A 73 -9.215 -17.131 -1.524 1.00 0.00 N ATOM 1164 CA ASP A 73 -9.686 -18.329 -2.222 1.00 0.00 C ATOM 1165 C ASP A 73 -10.736 -18.040 -3.311 1.00 0.00 C ATOM 1166 O ASP A 73 -10.943 -18.859 -4.196 1.00 0.00 O ATOM 1167 CB ASP A 73 -10.297 -19.330 -1.220 1.00 0.00 C ATOM 1168 CG ASP A 73 -11.451 -18.726 -0.392 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -12.543 -18.554 -0.934 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -11.241 -18.436 0.783 1.00 0.00 O ATOM 0 H ASP A 73 -9.424 -17.127 -0.526 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.805 -18.745 -2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.664 -20.201 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.517 -19.681 -0.544 1.00 0.00 H new ATOM 1175 N ASN A 74 -11.348 -16.835 -3.233 1.00 0.00 N ATOM 1176 CA ASN A 74 -12.347 -16.492 -4.246 1.00 0.00 C ATOM 1177 C ASN A 74 -11.702 -15.836 -5.481 1.00 0.00 C ATOM 1178 O ASN A 74 -12.380 -15.436 -6.417 1.00 0.00 O ATOM 1179 CB ASN A 74 -13.411 -15.552 -3.649 1.00 0.00 C ATOM 1180 CG ASN A 74 -12.785 -14.264 -3.087 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -12.530 -14.139 -1.898 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -12.547 -13.323 -4.015 1.00 0.00 N ATOM 0 H ASN A 74 -11.176 -16.127 -2.519 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.822 -17.419 -4.567 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.142 -15.296 -4.416 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.950 -16.070 -2.856 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.127 -12.434 -3.744 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.786 -13.497 -4.991 1.00 0.00 H new ATOM 1189 N GLY A 75 -10.359 -15.758 -5.417 1.00 0.00 N ATOM 1190 CA GLY A 75 -9.584 -15.221 -6.518 1.00 0.00 C ATOM 1191 C GLY A 75 -9.749 -13.716 -6.662 1.00 0.00 C ATOM 1192 O GLY A 75 -10.183 -13.219 -7.688 1.00 0.00 O ATOM 0 H GLY A 75 -9.805 -16.061 -4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.530 -15.456 -6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.888 -15.708 -7.445 1.00 0.00 H new ATOM 1196 N GLY A 76 -9.347 -13.048 -5.567 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.386 -11.619 -5.456 1.00 0.00 C ATOM 1198 C GLY A 76 -8.228 -11.071 -4.641 1.00 0.00 C ATOM 1199 O GLY A 76 -7.264 -11.753 -4.326 1.00 0.00 O ATOM 0 H GLY A 76 -8.984 -13.512 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.366 -11.179 -6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.326 -11.318 -4.994 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.439 -9.801 -4.279 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.490 -8.994 -3.552 1.00 0.00 C ATOM 1205 C TYR A 77 -8.308 -8.111 -2.645 1.00 0.00 C ATOM 1206 O TYR A 77 -9.341 -7.579 -3.040 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.631 -8.154 -4.534 1.00 0.00 C ATOM 1208 CG TYR A 77 -5.829 -9.004 -5.488 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -6.393 -9.469 -6.669 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -4.517 -9.322 -5.197 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -5.691 -10.273 -7.553 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -3.798 -10.138 -6.068 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.357 -10.635 -7.248 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.493 -11.463 -7.981 1.00 0.00 O ATOM 0 H TYR A 77 -9.303 -9.305 -4.496 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.794 -9.605 -2.977 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.283 -7.493 -5.105 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.953 -7.519 -3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.411 -9.195 -6.906 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.051 -8.941 -4.300 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.156 -10.619 -8.464 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.778 -10.394 -5.824 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.711 -11.401 -8.934 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.765 -7.986 -1.413 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.518 -7.128 -0.456 1.00 0.00 C ATOM 1226 C TYR A 78 -7.540 -6.296 0.375 1.00 0.00 C ATOM 1227 O TYR A 78 -6.481 -6.763 0.786 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.498 -7.924 0.462 1.00 0.00 C ATOM 1229 CG TYR A 78 -8.927 -8.427 1.781 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -8.813 -7.558 2.870 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.513 -9.751 1.940 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.287 -7.964 4.082 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -7.993 -10.175 3.161 1.00 0.00 C ATOM 1234 CZ TYR A 78 -7.875 -9.289 4.244 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.329 -9.698 5.459 1.00 0.00 O ATOM 0 H TYR A 78 -6.903 -8.414 -1.076 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.148 -6.468 -1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.355 -7.287 0.681 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.872 -8.781 -0.098 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.147 -6.537 2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.596 -10.446 1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.195 -7.262 4.898 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.676 -11.201 3.276 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.294 -10.677 5.489 1.00 0.00 H new ATOM 1245 N ILE A 79 -7.946 -4.996 0.494 1.00 0.00 N ATOM 1246 CA ILE A 79 -7.076 -4.078 1.275 1.00 0.00 C ATOM 1247 C ILE A 79 -7.793 -3.738 2.572 1.00 0.00 C ATOM 1248 O ILE A 79 -7.206 -3.742 3.649 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.611 -2.798 0.542 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.612 -2.315 -0.471 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -5.273 -2.984 -0.151 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -7.095 -1.025 -1.185 1.00 0.00 C ATOM 0 H ILE A 79 -8.794 -4.591 0.097 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.144 -4.613 1.455 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.509 -2.047 1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.796 -3.096 -1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.563 -2.109 0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.990 -2.058 -0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.514 -3.244 0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.353 -3.784 -0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.834 -0.692 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.934 -0.240 -0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.156 -1.242 -1.694 1.00 0.00 H new ATOM 1264 N SER A 80 -9.108 -3.542 2.393 1.00 0.00 N ATOM 1265 CA SER A 80 -9.991 -3.260 3.505 1.00 0.00 C ATOM 1266 C SER A 80 -10.923 -4.449 3.422 1.00 0.00 C ATOM 1267 O SER A 80 -11.479 -4.720 2.369 1.00 0.00 O ATOM 1268 CB SER A 80 -10.797 -1.934 3.283 1.00 0.00 C ATOM 1269 OG SER A 80 -11.186 -1.102 4.451 1.00 0.00 O ATOM 0 H SER A 80 -9.571 -3.576 1.485 1.00 0.00 H new ATOM 0 HA SER A 80 -9.477 -3.127 4.457 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.209 -1.304 2.616 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.712 -2.195 2.750 1.00 0.00 H new ATOM 0 HG SER A 80 -11.679 -0.314 4.141 1.00 0.00 H new ATOM 1275 N PRO A 81 -11.068 -5.185 4.557 1.00 0.00 N ATOM 1276 CA PRO A 81 -11.915 -6.362 4.560 1.00 0.00 C ATOM 1277 C PRO A 81 -13.408 -6.070 4.321 1.00 0.00 C ATOM 1278 O PRO A 81 -14.202 -6.988 4.180 1.00 0.00 O ATOM 1279 CB PRO A 81 -11.735 -6.910 5.989 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.697 -6.081 6.729 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.294 -5.010 5.770 1.00 0.00 C ATOM 0 HA PRO A 81 -11.634 -7.039 3.753 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.685 -6.881 6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.422 -7.953 5.952 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.112 -5.655 7.643 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.842 -6.690 7.021 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.475 -4.025 6.200 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.227 -5.072 5.554 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.718 -4.761 4.172 1.00 0.00 N ATOM 1290 CA ARG A 82 -15.106 -4.384 3.878 1.00 0.00 C ATOM 1291 C ARG A 82 -15.367 -4.371 2.339 1.00 0.00 C ATOM 1292 O ARG A 82 -16.509 -4.294 1.910 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.470 -3.054 4.571 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.953 -1.804 3.856 1.00 0.00 C ATOM 1295 CD ARG A 82 -16.017 -1.082 3.053 1.00 0.00 C ATOM 1296 NE ARG A 82 -16.705 -0.138 3.925 1.00 0.00 N ATOM 1297 CZ ARG A 82 -17.540 0.789 3.432 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -17.803 0.836 2.133 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -18.102 1.669 4.246 1.00 0.00 N ATOM 0 H ARG A 82 -13.057 -3.987 4.247 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.774 -5.139 4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.555 -2.987 4.654 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.073 -3.067 5.586 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.539 -1.118 4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.137 -2.087 3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.564 -0.557 2.212 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.726 -1.798 2.637 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.548 -0.183 4.932 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.369 0.164 1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.439 1.544 1.767 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.900 1.641 5.245 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.737 2.375 3.874 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.260 -4.473 1.552 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.224 -4.451 0.090 1.00 0.00 C ATOM 1315 C ILE A 83 -13.035 -5.247 -0.552 1.00 0.00 C ATOM 1316 O ILE A 83 -11.834 -5.009 -0.330 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.348 -3.060 -0.483 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -13.322 -2.115 0.114 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.757 -2.495 -0.301 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -13.551 -0.740 -0.507 1.00 0.00 C ATOM 0 H ILE A 83 -13.329 -4.578 1.956 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.120 -5.000 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 83 -14.152 -3.145 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.428 -2.069 1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.311 -2.466 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.805 -1.493 -0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.476 -3.139 -0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.997 -2.450 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.829 -0.032 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -13.427 -0.804 -1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.561 -0.401 -0.277 1.00 0.00 H new ATOM 1332 N THR A 84 -13.542 -6.241 -1.338 1.00 0.00 N ATOM 1333 CA THR A 84 -12.736 -7.172 -2.127 1.00 0.00 C ATOM 1334 C THR A 84 -13.017 -6.978 -3.636 1.00 0.00 C ATOM 1335 O THR A 84 -14.064 -6.480 -4.032 1.00 0.00 O ATOM 1336 CB THR A 84 -13.047 -8.637 -1.732 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.369 -8.543 -0.284 1.00 0.00 O ATOM 1338 CG2 THR A 84 -11.744 -9.435 -1.950 1.00 0.00 C ATOM 0 H THR A 84 -14.544 -6.406 -1.431 1.00 0.00 H new ATOM 0 HA THR A 84 -11.685 -6.965 -1.923 1.00 0.00 H new ATOM 0 HB THR A 84 -13.851 -9.114 -2.293 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.584 -9.434 0.062 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.908 -10.479 -1.685 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.447 -9.368 -2.997 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.955 -9.021 -1.322 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.022 -7.419 -4.436 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.137 -7.371 -5.902 1.00 0.00 C ATOM 1348 C PHE A 85 -11.492 -8.653 -6.467 1.00 0.00 C ATOM 1349 O PHE A 85 -10.680 -9.246 -5.787 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.491 -6.089 -6.421 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.200 -4.867 -5.874 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.311 -4.338 -6.529 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.765 -4.256 -4.697 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -13.973 -3.227 -6.015 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.423 -3.146 -4.188 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.539 -2.636 -4.834 1.00 0.00 C ATOM 0 H PHE A 85 -11.143 -7.807 -4.093 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.176 -7.344 -6.230 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.440 -6.064 -6.133 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.523 -6.076 -7.510 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.661 -4.794 -7.443 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.906 -4.652 -4.176 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.828 -2.822 -6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -12.064 -2.677 -3.284 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.066 -1.787 -4.423 1.00 0.00 H new ATOM 1366 N PRO A 86 -11.799 -9.056 -7.727 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.186 -10.293 -8.249 1.00 0.00 C ATOM 1368 C PRO A 86 -9.787 -10.039 -8.852 1.00 0.00 C ATOM 1369 O PRO A 86 -8.978 -10.954 -8.930 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.095 -10.596 -9.493 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.121 -9.454 -9.655 1.00 0.00 C ATOM 1372 CD PRO A 86 -12.931 -8.523 -8.475 1.00 0.00 C ATOM 0 HA PRO A 86 -11.103 -11.052 -7.471 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.485 -10.685 -10.392 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.609 -11.548 -9.361 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.964 -8.924 -10.594 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.137 -9.848 -9.677 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -12.734 -7.504 -8.809 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -13.827 -8.488 -7.856 1.00 0.00 H new ATOM 1380 N THR A 87 -9.493 -8.759 -9.167 1.00 0.00 N ATOM 1381 CA THR A 87 -8.164 -8.409 -9.665 1.00 0.00 C ATOM 1382 C THR A 87 -7.857 -6.993 -9.201 1.00 0.00 C ATOM 1383 O THR A 87 -8.733 -6.260 -8.756 1.00 0.00 O ATOM 1384 CB THR A 87 -7.952 -8.574 -11.195 1.00 0.00 C ATOM 1385 OG1 THR A 87 -6.885 -7.823 -11.892 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.267 -8.285 -11.929 1.00 0.00 C ATOM 0 H THR A 87 -10.143 -7.978 -9.086 1.00 0.00 H new ATOM 0 HA THR A 87 -7.461 -9.130 -9.247 1.00 0.00 H new ATOM 0 HB THR A 87 -7.602 -9.605 -11.240 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.895 -8.049 -12.845 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.118 -8.401 -13.002 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.033 -8.983 -11.592 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.586 -7.265 -11.715 1.00 0.00 H new ATOM 1394 N LEU A 88 -6.574 -6.612 -9.407 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.215 -5.264 -9.010 1.00 0.00 C ATOM 1396 C LEU A 88 -6.765 -4.266 -10.026 1.00 0.00 C ATOM 1397 O LEU A 88 -6.790 -3.090 -9.734 1.00 0.00 O ATOM 1398 CB LEU A 88 -4.699 -5.027 -8.953 1.00 0.00 C ATOM 1399 CG LEU A 88 -3.990 -5.414 -7.674 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -4.571 -4.636 -6.534 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -3.982 -6.870 -7.341 1.00 0.00 C ATOM 0 H LEU A 88 -5.832 -7.181 -9.815 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.634 -5.130 -8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.239 -5.577 -9.774 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.515 -3.968 -9.135 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.942 -5.168 -7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.063 -4.911 -5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.439 -3.570 -6.717 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.634 -4.860 -6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.446 -7.026 -6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.007 -7.225 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.487 -7.423 -8.139 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.182 -4.723 -11.224 1.00 0.00 N ATOM 1414 CA GLN A 89 -7.747 -3.707 -12.133 1.00 0.00 C ATOM 1415 C GLN A 89 -9.081 -3.168 -11.601 1.00 0.00 C ATOM 1416 O GLN A 89 -9.302 -1.971 -11.627 1.00 0.00 O ATOM 1417 CB GLN A 89 -7.824 -4.127 -13.620 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.384 -5.520 -13.806 1.00 0.00 C ATOM 1419 CD GLN A 89 -9.840 -5.574 -14.277 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -10.703 -5.924 -13.310 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -10.156 -5.320 -15.429 1.00 0.00 N flip ATOM 0 H GLN A 89 -7.147 -5.685 -11.561 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.026 -2.889 -12.135 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.446 -3.415 -14.163 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.827 -4.079 -14.059 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.764 -6.051 -14.528 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.303 -6.057 -12.861 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.441 -5.061 -16.109 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.135 -5.367 -15.711 1.00 0.00 H new ATOM 1430 N ALA A 90 -9.933 -4.092 -11.099 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.237 -3.657 -10.594 1.00 0.00 C ATOM 1432 C ALA A 90 -11.118 -2.991 -9.215 1.00 0.00 C ATOM 1433 O ALA A 90 -11.945 -2.176 -8.828 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.161 -4.897 -10.443 1.00 0.00 C ATOM 0 H ALA A 90 -9.747 -5.093 -11.037 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.644 -2.936 -11.303 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.134 -4.582 -10.067 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.285 -5.379 -11.413 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.713 -5.602 -9.743 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.030 -3.345 -8.509 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.790 -2.750 -7.207 1.00 0.00 C ATOM 1442 C LEU A 91 -9.315 -1.315 -7.384 1.00 0.00 C ATOM 1443 O LEU A 91 -9.860 -0.390 -6.807 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.784 -3.641 -6.451 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.864 -2.938 -5.436 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.404 -3.860 -4.287 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.664 -2.359 -6.210 1.00 0.00 C ATOM 0 H LEU A 91 -9.329 -4.020 -8.816 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.701 -2.699 -6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.343 -4.414 -5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.157 -4.146 -7.186 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.426 -2.143 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.759 -3.302 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.275 -4.225 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.853 -4.706 -4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.993 -1.854 -5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.129 -3.167 -6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.020 -1.646 -6.954 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.365 -1.190 -8.317 1.00 0.00 N ATOM 1460 CA VAL A 92 -7.726 0.080 -8.583 1.00 0.00 C ATOM 1461 C VAL A 92 -8.699 1.043 -9.307 1.00 0.00 C ATOM 1462 O VAL A 92 -8.674 2.237 -9.065 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.422 -0.254 -9.356 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.718 0.947 -9.905 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -5.316 -0.902 -8.498 1.00 0.00 C ATOM 0 H VAL A 92 -8.029 -1.960 -8.895 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.460 0.626 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.810 -0.922 -10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.817 0.632 -10.431 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.378 1.471 -10.597 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.446 1.615 -9.087 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.443 -1.101 -9.119 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.040 -0.225 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.683 -1.838 -8.078 1.00 0.00 H new ATOM 1475 N GLN A 93 -9.534 0.475 -10.204 1.00 0.00 N ATOM 1476 CA GLN A 93 -10.546 1.222 -10.960 1.00 0.00 C ATOM 1477 C GLN A 93 -11.553 1.852 -9.991 1.00 0.00 C ATOM 1478 O GLN A 93 -11.977 2.997 -10.115 1.00 0.00 O ATOM 1479 CB GLN A 93 -11.313 0.379 -12.022 1.00 0.00 C ATOM 1480 CG GLN A 93 -12.607 -0.288 -11.535 1.00 0.00 C ATOM 1481 CD GLN A 93 -13.287 -1.054 -12.669 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -12.983 -0.906 -13.845 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -14.260 -1.852 -12.221 1.00 0.00 N ATOM 0 H GLN A 93 -9.519 -0.522 -10.421 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.998 1.984 -11.515 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.554 1.025 -12.866 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.644 -0.397 -12.395 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.383 -0.969 -10.714 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.286 0.470 -11.144 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -14.447 -1.916 -11.220 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.816 -2.397 -12.880 1.00 0.00 H new ATOM 1492 N HIS A 94 -11.852 1.054 -8.938 1.00 0.00 N ATOM 1493 CA HIS A 94 -12.853 1.518 -7.972 1.00 0.00 C ATOM 1494 C HIS A 94 -12.234 2.693 -7.204 1.00 0.00 C ATOM 1495 O HIS A 94 -12.845 3.739 -7.035 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.193 0.361 -7.016 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.412 0.695 -6.186 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.410 1.560 -5.148 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -15.721 0.207 -6.348 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -15.676 1.600 -4.696 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.491 0.794 -5.402 1.00 0.00 N ATOM 0 H HIS A 94 -11.438 0.141 -8.748 1.00 0.00 H new ATOM 0 HA HIS A 94 -13.771 1.839 -8.464 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.374 -0.549 -7.588 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.344 0.162 -6.361 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.051 -0.505 -7.090 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -16.001 2.207 -3.864 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.490 0.654 -5.254 1.00 0.00 H new ATOM 1509 N TYR A 95 -10.945 2.479 -6.867 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.154 3.509 -6.216 1.00 0.00 C ATOM 1511 C TYR A 95 -9.792 4.647 -7.218 1.00 0.00 C ATOM 1512 O TYR A 95 -9.256 5.659 -6.784 1.00 0.00 O ATOM 1513 CB TYR A 95 -8.944 2.930 -5.455 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.382 2.083 -4.278 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -10.141 2.630 -3.259 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -9.064 0.741 -4.197 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.623 1.874 -2.211 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -9.512 -0.047 -3.148 1.00 0.00 C ATOM 1519 CZ TYR A 95 -10.278 0.517 -2.126 1.00 0.00 C ATOM 1520 OH TYR A 95 -10.676 -0.282 -1.057 1.00 0.00 O ATOM 0 H TYR A 95 -10.446 1.606 -7.039 1.00 0.00 H new ATOM 0 HA TYR A 95 -10.767 3.969 -5.441 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.340 2.327 -6.134 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.311 3.744 -5.103 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.364 3.686 -3.285 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.453 0.296 -4.968 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -11.260 2.322 -1.463 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.268 -1.099 -3.121 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.337 -1.192 -1.185 1.00 0.00 H new ATOM 1530 N SER A 96 -10.071 4.453 -8.549 1.00 0.00 N ATOM 1531 CA SER A 96 -9.771 5.552 -9.495 1.00 0.00 C ATOM 1532 C SER A 96 -10.891 6.619 -9.494 1.00 0.00 C ATOM 1533 O SER A 96 -10.709 7.678 -10.088 1.00 0.00 O ATOM 1534 CB SER A 96 -9.661 5.055 -10.979 1.00 0.00 C ATOM 1535 OG SER A 96 -8.246 4.644 -11.298 1.00 0.00 O ATOM 0 H SER A 96 -10.473 3.609 -8.956 1.00 0.00 H new ATOM 0 HA SER A 96 -8.820 5.962 -9.155 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.334 4.213 -11.137 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.977 5.847 -11.658 1.00 0.00 H new ATOM 0 HG SER A 96 -8.197 4.335 -12.227 1.00 0.00 H new ATOM 1541 N LYS A 97 -12.025 6.324 -8.832 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.135 7.287 -8.810 1.00 0.00 C ATOM 1543 C LYS A 97 -13.374 7.933 -7.428 1.00 0.00 C ATOM 1544 O LYS A 97 -13.773 9.073 -7.321 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.420 6.574 -9.282 1.00 0.00 C ATOM 1546 CG LYS A 97 -14.615 6.612 -10.805 1.00 0.00 C ATOM 1547 CD LYS A 97 -13.382 6.162 -11.594 1.00 0.00 C ATOM 1548 CE LYS A 97 -13.691 5.763 -13.037 1.00 0.00 C ATOM 1549 NZ LYS A 97 -13.510 6.867 -13.975 1.00 0.00 N ATOM 0 H LYS A 97 -12.193 5.457 -8.322 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.864 8.103 -9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.392 5.535 -8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.281 7.038 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.458 5.974 -11.071 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.876 7.627 -11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.649 6.969 -11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.922 5.316 -11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.045 4.935 -13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.718 5.403 -13.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.732 6.544 -14.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.145 7.649 -13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.524 7.195 -13.939 1.00 0.00 H new ATOM 1563 N LYS A 98 -13.117 7.147 -6.372 1.00 0.00 N ATOM 1564 CA LYS A 98 -13.314 7.551 -5.014 1.00 0.00 C ATOM 1565 C LYS A 98 -12.362 6.724 -4.124 1.00 0.00 C ATOM 1566 O LYS A 98 -12.297 5.506 -4.224 1.00 0.00 O ATOM 1567 CB LYS A 98 -14.765 7.282 -4.643 1.00 0.00 C ATOM 1568 CG LYS A 98 -15.257 8.166 -3.553 1.00 0.00 C ATOM 1569 CD LYS A 98 -14.309 8.567 -2.491 1.00 0.00 C ATOM 1570 CE LYS A 98 -14.967 9.369 -1.381 1.00 0.00 C ATOM 1571 NZ LYS A 98 -15.981 8.604 -0.660 1.00 0.00 N ATOM 0 H LYS A 98 -12.759 6.196 -6.464 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.102 8.611 -4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.391 7.418 -5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.869 6.242 -4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -15.645 9.075 -4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.099 7.666 -3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.851 7.675 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -13.506 9.158 -2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.204 9.705 -0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.425 10.262 -1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -16.203 9.081 0.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.842 8.537 -1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.621 7.648 -0.464 1.00 0.00 H new ATOM 1585 N GLY A 99 -11.655 7.459 -3.241 1.00 0.00 N ATOM 1586 CA GLY A 99 -10.736 6.876 -2.280 1.00 0.00 C ATOM 1587 C GLY A 99 -11.511 5.922 -1.371 1.00 0.00 C ATOM 1588 O GLY A 99 -11.278 4.725 -1.430 1.00 0.00 O ATOM 0 H GLY A 99 -11.716 8.476 -3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.939 6.341 -2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.262 7.659 -1.688 1.00 0.00 H new ATOM 1592 N ASP A 100 -12.365 6.505 -0.485 1.00 0.00 N ATOM 1593 CA ASP A 100 -13.148 5.608 0.380 1.00 0.00 C ATOM 1594 C ASP A 100 -12.311 4.809 1.404 1.00 0.00 C ATOM 1595 O ASP A 100 -12.670 3.732 1.860 1.00 0.00 O ATOM 1596 CB ASP A 100 -14.126 4.775 -0.429 1.00 0.00 C ATOM 1597 CG ASP A 100 -15.340 4.241 0.311 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -15.249 3.422 1.230 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -16.399 4.738 -0.028 1.00 0.00 O ATOM 0 H ASP A 100 -12.516 7.506 -0.361 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.751 6.249 1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.476 5.379 -1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.585 3.928 -0.851 1.00 0.00 H new ATOM 1604 N GLY A 101 -11.154 5.393 1.716 1.00 0.00 N ATOM 1605 CA GLY A 101 -10.304 4.705 2.661 1.00 0.00 C ATOM 1606 C GLY A 101 -8.862 5.053 2.430 1.00 0.00 C ATOM 1607 O GLY A 101 -8.084 5.132 3.377 1.00 0.00 O ATOM 0 H GLY A 101 -10.808 6.281 1.352 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.590 4.974 3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.443 3.628 2.566 1.00 0.00 H new ATOM 1611 N LEU A 102 -8.538 5.273 1.119 1.00 0.00 N ATOM 1612 CA LEU A 102 -7.140 5.568 0.890 1.00 0.00 C ATOM 1613 C LEU A 102 -6.824 7.074 0.963 1.00 0.00 C ATOM 1614 O LEU A 102 -5.672 7.476 0.856 1.00 0.00 O ATOM 1615 CB LEU A 102 -6.656 5.107 -0.498 1.00 0.00 C ATOM 1616 CG LEU A 102 -7.233 3.757 -0.944 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -6.864 3.485 -2.397 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -6.774 2.596 -0.034 1.00 0.00 C ATOM 0 H LEU A 102 -9.160 5.252 0.311 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.629 5.025 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.922 5.865 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.568 5.040 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.318 3.816 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.278 2.525 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.270 4.274 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.779 3.461 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.208 1.662 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.687 2.523 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.103 2.783 0.988 1.00 0.00 H new ATOM 1630 N CYS A 103 -7.897 7.861 1.227 1.00 0.00 N ATOM 1631 CA CYS A 103 -7.865 9.322 1.339 1.00 0.00 C ATOM 1632 C CYS A 103 -7.395 10.047 0.051 1.00 0.00 C ATOM 1633 O CYS A 103 -7.521 11.261 -0.043 1.00 0.00 O ATOM 1634 CB CYS A 103 -7.055 9.768 2.572 1.00 0.00 C ATOM 1635 SG CYS A 103 -5.283 9.990 2.270 1.00 0.00 S ATOM 0 H CYS A 103 -8.830 7.475 1.370 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.901 9.630 1.476 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.468 10.707 2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.186 9.029 3.363 1.00 0.00 H new ATOM 0 HG CYS A 103 -4.839 9.005 1.546 1.00 0.00 H new ATOM 1641 N GLN A 104 -6.868 9.283 -0.933 1.00 0.00 N ATOM 1642 CA GLN A 104 -6.362 9.873 -2.149 1.00 0.00 C ATOM 1643 C GLN A 104 -6.487 8.859 -3.261 1.00 0.00 C ATOM 1644 O GLN A 104 -5.652 7.991 -3.474 1.00 0.00 O ATOM 1645 CB GLN A 104 -4.876 10.264 -1.989 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.637 11.577 -1.232 1.00 0.00 C ATOM 1647 CD GLN A 104 -5.231 12.746 -2.039 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -5.422 12.672 -3.247 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -5.515 13.821 -1.297 1.00 0.00 N ATOM 0 H GLN A 104 -6.792 8.267 -0.890 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.936 10.771 -2.377 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.357 9.460 -1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.427 10.344 -2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.098 11.530 -0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.569 11.732 -1.078 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.329 13.812 -0.294 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.918 14.650 -1.734 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.578 9.081 -3.989 1.00 0.00 N ATOM 1659 CA LYS A 105 -7.892 8.276 -5.137 1.00 0.00 C ATOM 1660 C LYS A 105 -6.831 8.551 -6.209 1.00 0.00 C ATOM 1661 O LYS A 105 -6.010 9.454 -6.105 1.00 0.00 O ATOM 1662 CB LYS A 105 -9.286 8.660 -5.555 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.354 9.921 -6.400 1.00 0.00 C ATOM 1664 CD LYS A 105 -10.814 10.326 -6.534 1.00 0.00 C ATOM 1665 CE LYS A 105 -11.170 11.460 -5.581 1.00 0.00 C ATOM 1666 NZ LYS A 105 -11.944 12.521 -6.221 1.00 0.00 N ATOM 0 H LYS A 105 -8.255 9.819 -3.793 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.875 7.203 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.726 7.835 -6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.896 8.800 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.779 10.722 -5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.917 9.744 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.014 10.636 -7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.451 9.465 -6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -11.739 11.058 -4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.253 11.883 -5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.157 13.264 -5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.394 12.928 -7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.833 12.128 -6.590 1.00 0.00 H new ATOM 1680 N LEU A 106 -6.942 7.740 -7.255 1.00 0.00 N ATOM 1681 CA LEU A 106 -5.974 7.800 -8.337 1.00 0.00 C ATOM 1682 C LEU A 106 -6.255 8.965 -9.274 1.00 0.00 C ATOM 1683 O LEU A 106 -7.375 9.157 -9.734 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.066 6.520 -9.191 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.195 5.233 -8.358 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -5.797 3.924 -9.058 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -5.366 5.322 -7.097 1.00 0.00 C ATOM 0 H LEU A 106 -7.680 7.046 -7.374 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.992 7.914 -7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.925 6.599 -9.858 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.179 6.448 -9.820 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.266 5.181 -8.162 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.931 3.089 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.425 3.776 -9.936 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.752 3.978 -9.364 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.474 4.400 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.318 5.466 -7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.708 6.164 -6.496 1.00 0.00 H new ATOM 1699 N THR A 107 -5.160 9.706 -9.517 1.00 0.00 N ATOM 1700 CA THR A 107 -5.241 10.850 -10.418 1.00 0.00 C ATOM 1701 C THR A 107 -4.392 10.609 -11.668 1.00 0.00 C ATOM 1702 O THR A 107 -4.906 10.527 -12.775 1.00 0.00 O ATOM 1703 CB THR A 107 -4.804 12.146 -9.711 1.00 0.00 C ATOM 1704 OG1 THR A 107 -3.376 12.342 -9.373 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.626 12.283 -8.399 1.00 0.00 C ATOM 0 H THR A 107 -4.239 9.535 -9.113 1.00 0.00 H new ATOM 0 HA THR A 107 -6.282 10.967 -10.721 1.00 0.00 H new ATOM 0 HB THR A 107 -4.991 12.910 -10.465 1.00 0.00 H new ATOM 0 HG1 THR A 107 -2.998 13.042 -9.945 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.333 13.196 -7.880 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.689 12.327 -8.638 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.433 11.423 -7.758 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.076 10.478 -11.406 1.00 0.00 N ATOM 1714 CA LEU A 108 -2.096 10.239 -12.465 1.00 0.00 C ATOM 1715 C LEU A 108 -1.090 9.175 -12.026 1.00 0.00 C ATOM 1716 O LEU A 108 -0.189 9.512 -11.287 1.00 0.00 O ATOM 1717 CB LEU A 108 -1.360 11.455 -13.005 1.00 0.00 C ATOM 1718 CG LEU A 108 -2.268 12.397 -13.815 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -2.264 13.855 -13.340 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -1.833 12.311 -15.280 1.00 0.00 C ATOM 0 H LEU A 108 -2.676 10.535 -10.470 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.700 9.897 -13.305 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.923 12.007 -12.173 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.535 11.123 -13.636 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.297 12.066 -13.673 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.931 14.444 -13.969 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.605 13.902 -12.306 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.253 14.257 -13.408 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.458 12.969 -15.884 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.791 12.618 -15.369 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.940 11.285 -15.632 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.271 7.890 -12.460 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.391 6.765 -12.098 1.00 0.00 C ATOM 1734 C PRO A 109 1.077 7.010 -12.496 1.00 0.00 C ATOM 1735 O PRO A 109 1.563 6.600 -13.534 1.00 0.00 O ATOM 1736 CB PRO A 109 -0.921 5.542 -12.854 1.00 0.00 C ATOM 1737 CG PRO A 109 -2.176 6.013 -13.575 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.303 7.535 -13.392 1.00 0.00 C ATOM 0 HA PRO A 109 -0.402 6.630 -11.016 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.181 5.168 -13.561 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.147 4.726 -12.168 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.121 5.762 -14.634 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.055 5.509 -13.174 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.174 8.058 -14.340 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.288 7.805 -13.011 1.00 0.00 H new ATOM 1746 N CYS A 110 1.752 7.625 -11.531 1.00 0.00 N ATOM 1747 CA CYS A 110 3.167 8.003 -11.623 1.00 0.00 C ATOM 1748 C CYS A 110 3.547 8.559 -13.019 1.00 0.00 C ATOM 1749 O CYS A 110 2.704 9.023 -13.778 1.00 0.00 O ATOM 1750 CB CYS A 110 4.018 6.809 -11.191 1.00 0.00 C ATOM 1751 SG CYS A 110 4.147 5.508 -12.439 1.00 0.00 S ATOM 0 H CYS A 110 1.325 7.883 -10.641 1.00 0.00 H new ATOM 0 HA CYS A 110 3.365 8.833 -10.945 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.019 7.161 -10.943 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.594 6.384 -10.281 1.00 0.00 H new ATOM 0 HG CYS A 110 3.175 5.629 -13.294 1.00 0.00 H new ATOM 1757 N VAL A 111 4.856 8.481 -13.310 1.00 0.00 N ATOM 1758 CA VAL A 111 5.338 8.974 -14.586 1.00 0.00 C ATOM 1759 C VAL A 111 6.782 8.506 -14.756 1.00 0.00 C ATOM 1760 O VAL A 111 7.589 8.651 -13.853 1.00 0.00 O ATOM 1761 CB VAL A 111 5.224 10.499 -14.738 1.00 0.00 C ATOM 1762 CG1 VAL A 111 6.217 11.244 -13.838 1.00 0.00 C ATOM 1763 CG2 VAL A 111 5.370 10.924 -16.210 1.00 0.00 C ATOM 0 H VAL A 111 5.570 8.093 -12.694 1.00 0.00 H new ATOM 0 HA VAL A 111 4.704 8.567 -15.374 1.00 0.00 H new ATOM 0 HB VAL A 111 4.225 10.781 -14.407 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.100 12.319 -13.979 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.023 10.992 -12.795 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.234 10.952 -14.099 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.285 12.008 -16.286 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.344 10.609 -16.585 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.585 10.456 -16.803 1.00 0.00 H new ATOM 1773 N ASN A 112 7.036 7.873 -15.932 1.00 0.00 N ATOM 1774 CA ASN A 112 8.377 7.379 -16.246 1.00 0.00 C ATOM 1775 C ASN A 112 9.445 8.453 -15.912 1.00 0.00 C ATOM 1776 O ASN A 112 9.201 9.652 -15.979 1.00 0.00 O ATOM 1777 CB ASN A 112 8.475 7.080 -17.757 1.00 0.00 C ATOM 1778 CG ASN A 112 9.806 6.390 -18.115 1.00 0.00 C ATOM 1779 OD1 ASN A 112 10.392 5.677 -17.313 1.00 0.00 O ATOM 1780 ND2 ASN A 112 10.244 6.651 -19.355 1.00 0.00 N ATOM 0 H ASN A 112 6.338 7.702 -16.655 1.00 0.00 H new ATOM 0 HA ASN A 112 8.554 6.480 -15.656 1.00 0.00 H new ATOM 0 HB2 ASN A 112 7.643 6.443 -18.057 1.00 0.00 H new ATOM 0 HB3 ASN A 112 8.384 8.010 -18.319 1.00 0.00 H new ATOM 0 HD21 ASN A 112 11.120 6.244 -19.683 1.00 0.00 H new ATOM 0 HD22 ASN A 112 9.701 7.257 -19.971 1.00 0.00 H new ATOM 1787 N LEU A 113 10.631 7.931 -15.565 1.00 0.00 N ATOM 1788 CA LEU A 113 11.744 8.794 -15.208 1.00 0.00 C ATOM 1789 C LEU A 113 12.420 9.367 -16.458 1.00 0.00 C ATOM 1790 O LEU A 113 12.635 8.678 -17.448 1.00 0.00 O ATOM 1791 CB LEU A 113 12.743 7.988 -14.377 1.00 0.00 C ATOM 1792 CG LEU A 113 12.107 7.368 -13.123 1.00 0.00 C ATOM 1793 CD1 LEU A 113 13.171 6.683 -12.267 1.00 0.00 C ATOM 1794 CD2 LEU A 113 11.343 8.424 -12.308 1.00 0.00 C ATOM 0 H LEU A 113 10.833 6.932 -15.527 1.00 0.00 H new ATOM 0 HA LEU A 113 11.374 9.636 -14.624 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.167 7.196 -14.994 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.568 8.636 -14.079 1.00 0.00 H new ATOM 0 HG LEU A 113 11.388 6.615 -13.445 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.703 6.249 -11.383 1.00 0.00 H new ATOM 0 HD12 LEU A 113 13.652 5.895 -12.846 1.00 0.00 H new ATOM 0 HD13 LEU A 113 13.918 7.415 -11.960 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.904 7.956 -11.427 1.00 0.00 H new ATOM 0 HD22 LEU A 113 12.030 9.211 -11.997 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.552 8.855 -12.922 1.00 0.00 H new ATOM 1806 N ALA A 114 12.721 10.674 -16.340 1.00 0.00 N ATOM 1807 CA ALA A 114 13.367 11.382 -17.436 1.00 0.00 C ATOM 1808 C ALA A 114 13.984 12.700 -16.916 1.00 0.00 C ATOM 1809 O ALA A 114 15.207 12.768 -16.786 1.00 0.00 O ATOM 1810 CB ALA A 114 12.339 11.638 -18.552 1.00 0.00 C ATOM 1811 OXT ALA A 114 13.235 13.641 -16.650 1.00 0.00 O ATOM 0 H ALA A 114 12.529 11.241 -15.514 1.00 0.00 H new ATOM 0 HA ALA A 114 14.175 10.778 -17.849 1.00 0.00 H new ATOM 0 HB1 ALA A 114 12.819 12.168 -19.374 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.949 10.686 -18.912 1.00 0.00 H new ATOM 0 HB3 ALA A 114 11.520 12.241 -18.161 1.00 0.00 H new TER 1817 ALA A 114