USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 918 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 81 MET CE :methyl 144:sc= -0.588 (180deg=-3.72!) USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= -0.0918 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 160:sc= -1.8 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 110:sc= -1.54 USER MOD Single : A 35 ASN : amide:sc= -2.58 K(o=-2.6,f=-3.9) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.367 F(o=-1,f=-0.37) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 150:sc= -0.951 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -157:sc= -1.39 (180deg=-1.82) USER MOD Single : A 67 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00524) USER MOD Single : A 68 GLN : amide:sc= -0.0711 K(o=-0.071,f=-1.4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.427 F(o=-1,f=-0.43) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -5.75! C(o=-8.8!,f=-5.8!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.647 K(o=-0.65,f=-1.2) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -9:sc= -0.708! USER MOD Single : A 95 GLN : amide:sc= -3.6 K(o=-3.6,f=-5.4!) USER MOD Single : A 96 GLN : amide:sc= -2.75! C(o=-2.8!,f=-7!) USER MOD Single : A 101 TYR OH : rot -133:sc= -3.87! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc=-0.00646 X(o=-0.0065,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 11.538 -13.025 1.183 1.00 0.00 N ATOM 38 CA ARG A 3 12.029 -12.213 0.071 1.00 0.00 C ATOM 39 C ARG A 3 11.826 -10.718 0.329 1.00 0.00 C ATOM 40 O ARG A 3 12.486 -9.884 -0.289 1.00 0.00 O ATOM 41 CB ARG A 3 11.359 -12.620 -1.243 1.00 0.00 C ATOM 42 CG ARG A 3 11.889 -11.864 -2.452 1.00 0.00 C ATOM 43 CD ARG A 3 12.373 -12.809 -3.540 1.00 0.00 C ATOM 44 NE ARG A 3 13.731 -13.288 -3.287 1.00 0.00 N ATOM 45 CZ ARG A 3 14.814 -12.510 -3.308 1.00 0.00 C ATOM 46 NH1 ARG A 3 14.708 -11.216 -3.582 1.00 0.00 N ATOM 47 NH2 ARG A 3 16.006 -13.032 -3.060 1.00 0.00 N ATOM 0 HA ARG A 3 13.100 -12.396 -0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.504 -13.689 -1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.285 -12.453 -1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.105 -11.221 -2.851 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.708 -11.214 -2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 3 11.695 -13.660 -3.608 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.342 -12.299 -4.503 1.00 0.00 H new ATOM 0 HE ARG A 3 13.858 -14.279 -3.082 1.00 0.00 H new ATOM 0 HH11 ARG A 3 13.793 -10.810 -3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 3 15.541 -10.628 -3.596 1.00 0.00 H new ATOM 0 HH21 ARG A 3 16.094 -14.027 -2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 3 16.836 -12.439 -3.076 1.00 0.00 H new ATOM 61 N GLY A 4 10.918 -10.384 1.242 1.00 0.00 N ATOM 62 CA GLY A 4 10.660 -8.991 1.558 1.00 0.00 C ATOM 63 C GLY A 4 10.372 -8.152 0.326 1.00 0.00 C ATOM 64 O GLY A 4 11.243 -7.428 -0.156 1.00 0.00 O ATOM 0 H GLY A 4 10.357 -11.054 1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.812 -8.929 2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.522 -8.576 2.081 1.00 0.00 H new ATOM 68 N ILE A 5 9.149 -8.248 -0.182 1.00 0.00 N ATOM 69 CA ILE A 5 8.754 -7.490 -1.361 1.00 0.00 C ATOM 70 C ILE A 5 7.743 -6.413 -0.998 1.00 0.00 C ATOM 71 O ILE A 5 6.607 -6.714 -0.631 1.00 0.00 O ATOM 72 CB ILE A 5 8.143 -8.399 -2.444 1.00 0.00 C ATOM 73 CG1 ILE A 5 9.022 -9.629 -2.660 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.960 -7.632 -3.747 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.597 -10.821 -1.833 1.00 0.00 C ATOM 0 H ILE A 5 8.415 -8.842 0.204 1.00 0.00 H new ATOM 0 HA ILE A 5 9.659 -7.029 -1.756 1.00 0.00 H new ATOM 0 HB ILE A 5 7.162 -8.731 -2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.000 -9.901 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 5 10.054 -9.376 -2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.527 -8.291 -4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.294 -6.785 -3.580 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.927 -7.270 -4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.263 -11.660 -2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.645 -10.565 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.575 -11.099 -2.093 1.00 0.00 H new ATOM 87 N VAL A 6 8.158 -5.160 -1.110 1.00 0.00 N ATOM 88 CA VAL A 6 7.283 -4.041 -0.801 1.00 0.00 C ATOM 89 C VAL A 6 6.852 -3.327 -2.075 1.00 0.00 C ATOM 90 O VAL A 6 7.686 -2.881 -2.857 1.00 0.00 O ATOM 91 CB VAL A 6 7.960 -3.030 0.148 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.255 -2.500 -0.452 1.00 0.00 C ATOM 93 CG2 VAL A 6 7.008 -1.889 0.476 1.00 0.00 C ATOM 0 H VAL A 6 9.095 -4.894 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 6 6.407 -4.451 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 6 8.210 -3.547 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.711 -1.790 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.941 -3.329 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.041 -2.002 -1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.501 -1.185 1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.724 -1.377 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.116 -2.287 0.960 1.00 0.00 H new ATOM 103 N TRP A 7 5.545 -3.226 -2.280 1.00 0.00 N ATOM 104 CA TRP A 7 5.015 -2.566 -3.466 1.00 0.00 C ATOM 105 C TRP A 7 4.259 -1.299 -3.091 1.00 0.00 C ATOM 106 O TRP A 7 3.426 -1.303 -2.187 1.00 0.00 O ATOM 107 CB TRP A 7 4.105 -3.522 -4.239 1.00 0.00 C ATOM 108 CG TRP A 7 4.860 -4.501 -5.084 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.206 -4.732 -5.059 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.320 -5.381 -6.077 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.538 -5.696 -5.975 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.398 -6.113 -6.613 1.00 0.00 C ATOM 113 CE3 TRP A 7 3.032 -5.625 -6.567 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.228 -7.067 -7.611 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.866 -6.574 -7.559 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.958 -7.284 -8.071 1.00 0.00 C ATOM 0 H TRP A 7 4.836 -3.591 -1.644 1.00 0.00 H new ATOM 0 HA TRP A 7 5.852 -2.283 -4.104 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.479 -4.068 -3.533 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.437 -2.942 -4.875 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.908 -4.228 -4.411 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.479 -6.046 -6.153 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.183 -5.082 -6.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 6.068 -7.617 -8.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.877 -6.771 -7.945 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.795 -8.019 -8.846 1.00 0.00 H new ATOM 127 N VAL A 8 4.566 -0.213 -3.790 1.00 0.00 N ATOM 128 CA VAL A 8 3.926 1.070 -3.531 1.00 0.00 C ATOM 129 C VAL A 8 3.069 1.500 -4.717 1.00 0.00 C ATOM 130 O VAL A 8 3.402 1.224 -5.861 1.00 0.00 O ATOM 131 CB VAL A 8 4.962 2.181 -3.247 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.424 3.160 -2.218 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.294 1.597 -2.789 1.00 0.00 C ATOM 0 H VAL A 8 5.255 -0.196 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 8 3.300 0.933 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 8 5.139 2.718 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.167 3.935 -2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.509 3.617 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.210 2.631 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.999 2.406 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.144 1.023 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.692 0.945 -3.566 1.00 0.00 H new ATOM 143 N VAL A 9 1.973 2.190 -4.435 1.00 0.00 N ATOM 144 CA VAL A 9 1.085 2.665 -5.490 1.00 0.00 C ATOM 145 C VAL A 9 0.780 4.144 -5.291 1.00 0.00 C ATOM 146 O VAL A 9 0.023 4.520 -4.394 1.00 0.00 O ATOM 147 CB VAL A 9 -0.237 1.863 -5.551 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.556 1.485 -6.991 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.163 0.616 -4.677 1.00 0.00 C ATOM 0 H VAL A 9 1.677 2.433 -3.490 1.00 0.00 H new ATOM 0 HA VAL A 9 1.603 2.517 -6.437 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.037 2.495 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.488 0.921 -7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.660 2.390 -7.590 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.251 0.873 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.105 0.072 -4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.649 -0.024 -5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.021 0.907 -3.643 1.00 0.00 H new ATOM 159 N ASP A 10 1.387 4.979 -6.126 1.00 0.00 N ATOM 160 CA ASP A 10 1.202 6.423 -6.037 1.00 0.00 C ATOM 161 C ASP A 10 1.611 7.104 -7.341 1.00 0.00 C ATOM 162 O ASP A 10 1.591 6.489 -8.407 1.00 0.00 O ATOM 163 CB ASP A 10 2.016 6.975 -4.863 1.00 0.00 C ATOM 164 CG ASP A 10 1.260 8.025 -4.074 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.770 8.994 -4.692 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.157 7.881 -2.837 1.00 0.00 O ATOM 0 H ASP A 10 2.013 4.680 -6.874 1.00 0.00 H new ATOM 0 HA ASP A 10 0.146 6.632 -5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.292 6.155 -4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.944 7.406 -5.239 1.00 0.00 H new ATOM 171 N ASP A 11 1.979 8.377 -7.247 1.00 0.00 N ATOM 172 CA ASP A 11 2.392 9.155 -8.415 1.00 0.00 C ATOM 173 C ASP A 11 3.743 8.691 -8.976 1.00 0.00 C ATOM 174 O ASP A 11 4.335 9.377 -9.809 1.00 0.00 O ATOM 175 CB ASP A 11 2.474 10.642 -8.058 1.00 0.00 C ATOM 176 CG ASP A 11 1.150 11.197 -7.572 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.884 11.119 -6.355 1.00 0.00 O ATOM 178 OD2 ASP A 11 0.380 11.713 -8.410 1.00 0.00 O ATOM 0 H ASP A 11 2.000 8.897 -6.370 1.00 0.00 H new ATOM 0 HA ASP A 11 1.638 8.997 -9.186 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.230 10.786 -7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.801 11.205 -8.932 1.00 0.00 H new ATOM 183 N ASP A 12 4.228 7.533 -8.521 1.00 0.00 N ATOM 184 CA ASP A 12 5.505 6.987 -8.989 1.00 0.00 C ATOM 185 C ASP A 12 6.612 8.053 -8.994 1.00 0.00 C ATOM 186 O ASP A 12 6.560 9.003 -8.214 1.00 0.00 O ATOM 187 CB ASP A 12 5.330 6.366 -10.384 1.00 0.00 C ATOM 188 CG ASP A 12 5.008 7.396 -11.450 1.00 0.00 C ATOM 189 OD1 ASP A 12 5.864 8.263 -11.716 1.00 0.00 O ATOM 190 OD2 ASP A 12 3.898 7.334 -12.017 1.00 0.00 O ATOM 0 H ASP A 12 3.755 6.954 -7.827 1.00 0.00 H new ATOM 0 HA ASP A 12 5.817 6.208 -8.293 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.243 5.839 -10.659 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.532 5.624 -10.349 1.00 0.00 H new ATOM 195 N SER A 13 7.603 7.889 -9.879 1.00 0.00 N ATOM 196 CA SER A 13 8.717 8.821 -10.003 1.00 0.00 C ATOM 197 C SER A 13 9.186 9.363 -8.651 1.00 0.00 C ATOM 198 O SER A 13 10.043 8.763 -8.001 1.00 0.00 O ATOM 199 CB SER A 13 8.320 9.941 -10.954 1.00 0.00 C ATOM 200 OG SER A 13 9.459 10.536 -11.550 1.00 0.00 O ATOM 0 H SER A 13 7.650 7.103 -10.528 1.00 0.00 H new ATOM 0 HA SER A 13 9.573 8.284 -10.412 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.664 9.547 -11.730 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.753 10.698 -10.412 1.00 0.00 H new ATOM 0 HG SER A 13 9.175 11.251 -12.157 1.00 0.00 H new ATOM 206 N SER A 14 8.630 10.490 -8.231 1.00 0.00 N ATOM 207 CA SER A 14 9.002 11.098 -6.956 1.00 0.00 C ATOM 208 C SER A 14 8.837 10.104 -5.815 1.00 0.00 C ATOM 209 O SER A 14 9.801 9.772 -5.126 1.00 0.00 O ATOM 210 CB SER A 14 8.154 12.342 -6.692 1.00 0.00 C ATOM 211 OG SER A 14 8.833 13.250 -5.842 1.00 0.00 O ATOM 0 H SER A 14 7.920 11.004 -8.752 1.00 0.00 H new ATOM 0 HA SER A 14 10.051 11.390 -7.012 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.916 12.831 -7.637 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.207 12.051 -6.237 1.00 0.00 H new ATOM 0 HG SER A 14 8.271 14.038 -5.690 1.00 0.00 H new ATOM 217 N ILE A 15 7.614 9.624 -5.624 1.00 0.00 N ATOM 218 CA ILE A 15 7.338 8.661 -4.568 1.00 0.00 C ATOM 219 C ILE A 15 8.101 7.364 -4.808 1.00 0.00 C ATOM 220 O ILE A 15 8.369 6.607 -3.874 1.00 0.00 O ATOM 221 CB ILE A 15 5.834 8.343 -4.458 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.011 9.633 -4.429 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.559 7.506 -3.218 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.277 10.495 -3.213 1.00 0.00 C ATOM 0 H ILE A 15 6.802 9.885 -6.184 1.00 0.00 H new ATOM 0 HA ILE A 15 7.667 9.117 -3.634 1.00 0.00 H new ATOM 0 HB ILE A 15 5.538 7.769 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.226 10.211 -5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.951 9.379 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.493 7.290 -3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.116 6.571 -3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.871 8.057 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.659 11.392 -3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.035 9.935 -2.310 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.329 10.780 -3.192 1.00 0.00 H new ATOM 236 N ARG A 16 8.438 7.109 -6.066 1.00 0.00 N ATOM 237 CA ARG A 16 9.162 5.899 -6.434 1.00 0.00 C ATOM 238 C ARG A 16 10.612 5.947 -5.964 1.00 0.00 C ATOM 239 O ARG A 16 11.074 5.047 -5.264 1.00 0.00 O ATOM 240 CB ARG A 16 9.104 5.681 -7.947 1.00 0.00 C ATOM 241 CG ARG A 16 9.866 4.449 -8.415 1.00 0.00 C ATOM 242 CD ARG A 16 11.057 4.815 -9.289 1.00 0.00 C ATOM 243 NE ARG A 16 10.832 4.463 -10.690 1.00 0.00 N ATOM 244 CZ ARG A 16 11.751 3.904 -11.478 1.00 0.00 C ATOM 245 NH1 ARG A 16 12.974 3.653 -11.021 1.00 0.00 N ATOM 246 NH2 ARG A 16 11.449 3.604 -12.736 1.00 0.00 N ATOM 0 H ARG A 16 8.221 7.725 -6.850 1.00 0.00 H new ATOM 0 HA ARG A 16 8.677 5.060 -5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.062 5.591 -8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.509 6.560 -8.448 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.212 3.885 -7.548 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.194 3.797 -8.972 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.251 5.885 -9.210 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.947 4.302 -8.924 1.00 0.00 H new ATOM 0 HE ARG A 16 9.914 4.657 -11.090 1.00 0.00 H new ATOM 0 HH11 ARG A 16 13.217 3.888 -10.059 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.669 3.225 -11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.516 3.801 -13.097 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.150 3.176 -13.341 1.00 0.00 H new ATOM 260 N TRP A 17 11.332 6.989 -6.355 1.00 0.00 N ATOM 261 CA TRP A 17 12.733 7.125 -5.972 1.00 0.00 C ATOM 262 C TRP A 17 12.901 7.206 -4.457 1.00 0.00 C ATOM 263 O TRP A 17 13.826 6.619 -3.896 1.00 0.00 O ATOM 264 CB TRP A 17 13.353 8.365 -6.615 1.00 0.00 C ATOM 265 CG TRP A 17 14.825 8.475 -6.366 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.827 7.904 -7.097 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.459 9.195 -5.304 1.00 0.00 C ATOM 268 NE1 TRP A 17 17.048 8.231 -6.556 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.848 9.021 -5.454 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.988 9.971 -4.243 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.769 9.594 -4.581 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.904 10.540 -3.376 1.00 0.00 C ATOM 273 CH2 TRP A 17 17.280 10.349 -3.551 1.00 0.00 C ATOM 0 H TRP A 17 10.974 7.749 -6.933 1.00 0.00 H new ATOM 0 HA TRP A 17 13.247 6.233 -6.330 1.00 0.00 H new ATOM 0 HB2 TRP A 17 13.172 8.340 -7.690 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.857 9.255 -6.229 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.682 7.287 -7.971 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.955 7.934 -6.916 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.928 10.124 -4.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.831 9.448 -4.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.552 11.141 -2.551 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.970 10.808 -2.858 1.00 0.00 H new ATOM 284 N VAL A 18 12.019 7.950 -3.801 1.00 0.00 N ATOM 285 CA VAL A 18 12.096 8.124 -2.354 1.00 0.00 C ATOM 286 C VAL A 18 11.857 6.820 -1.602 1.00 0.00 C ATOM 287 O VAL A 18 12.558 6.509 -0.642 1.00 0.00 O ATOM 288 CB VAL A 18 11.085 9.173 -1.848 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.413 9.579 -0.420 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.056 10.395 -2.758 1.00 0.00 C ATOM 0 H VAL A 18 11.244 8.442 -4.246 1.00 0.00 H new ATOM 0 HA VAL A 18 13.110 8.469 -2.155 1.00 0.00 H new ATOM 0 HB VAL A 18 10.093 8.721 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.691 10.320 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.369 8.703 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.415 10.006 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.334 11.117 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.045 10.851 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.768 10.092 -3.765 1.00 0.00 H new ATOM 300 N LEU A 19 10.848 6.080 -2.025 1.00 0.00 N ATOM 301 CA LEU A 19 10.493 4.827 -1.368 1.00 0.00 C ATOM 302 C LEU A 19 11.324 3.643 -1.851 1.00 0.00 C ATOM 303 O LEU A 19 11.484 2.659 -1.130 1.00 0.00 O ATOM 304 CB LEU A 19 9.006 4.526 -1.564 1.00 0.00 C ATOM 305 CG LEU A 19 8.057 5.308 -0.656 1.00 0.00 C ATOM 306 CD1 LEU A 19 6.616 4.922 -0.945 1.00 0.00 C ATOM 307 CD2 LEU A 19 8.394 5.060 0.809 1.00 0.00 C ATOM 0 H LEU A 19 10.257 6.322 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 19 10.710 4.962 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.744 4.734 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.843 3.461 -1.401 1.00 0.00 H new ATOM 0 HG LEU A 19 8.179 6.372 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.950 5.486 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.381 5.148 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.482 3.855 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.708 5.625 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.298 3.997 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.417 5.381 1.006 1.00 0.00 H new ATOM 319 N GLU A 20 11.836 3.720 -3.070 1.00 0.00 N ATOM 320 CA GLU A 20 12.627 2.623 -3.617 1.00 0.00 C ATOM 321 C GLU A 20 13.955 2.453 -2.889 1.00 0.00 C ATOM 322 O GLU A 20 14.256 1.381 -2.364 1.00 0.00 O ATOM 323 CB GLU A 20 12.857 2.799 -5.121 1.00 0.00 C ATOM 324 CG GLU A 20 13.872 3.863 -5.505 1.00 0.00 C ATOM 325 CD GLU A 20 14.023 3.996 -7.008 1.00 0.00 C ATOM 326 OE1 GLU A 20 13.553 3.094 -7.734 1.00 0.00 O ATOM 327 OE2 GLU A 20 14.611 5.000 -7.461 1.00 0.00 O ATOM 0 H GLU A 20 11.722 4.519 -3.694 1.00 0.00 H new ATOM 0 HA GLU A 20 12.049 1.712 -3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.182 1.845 -5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.904 3.043 -5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.567 4.822 -5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.838 3.616 -5.065 1.00 0.00 H new ATOM 334 N ARG A 21 14.747 3.508 -2.883 1.00 0.00 N ATOM 335 CA ARG A 21 16.061 3.482 -2.246 1.00 0.00 C ATOM 336 C ARG A 21 15.961 3.303 -0.734 1.00 0.00 C ATOM 337 O ARG A 21 16.669 2.478 -0.156 1.00 0.00 O ATOM 338 CB ARG A 21 16.836 4.761 -2.572 1.00 0.00 C ATOM 339 CG ARG A 21 17.242 4.874 -4.034 1.00 0.00 C ATOM 340 CD ARG A 21 18.737 4.662 -4.222 1.00 0.00 C ATOM 341 NE ARG A 21 19.065 4.230 -5.581 1.00 0.00 N ATOM 342 CZ ARG A 21 19.121 2.956 -5.967 1.00 0.00 C ATOM 343 NH1 ARG A 21 18.861 1.979 -5.103 1.00 0.00 N ATOM 344 NH2 ARG A 21 19.437 2.655 -7.221 1.00 0.00 N ATOM 0 H ARG A 21 14.507 4.401 -3.313 1.00 0.00 H new ATOM 0 HA ARG A 21 16.597 2.621 -2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 21 16.225 5.623 -2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.731 4.801 -1.951 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.694 4.138 -4.622 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.963 5.857 -4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 21 19.265 5.589 -3.999 1.00 0.00 H new ATOM 0 HD3 ARG A 21 19.089 3.916 -3.510 1.00 0.00 H new ATOM 0 HE ARG A 21 19.263 4.949 -6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 21 18.617 2.203 -4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 21 18.906 1.006 -5.405 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.637 3.399 -7.889 1.00 0.00 H new ATOM 0 HH22 ARG A 21 19.480 1.680 -7.516 1.00 0.00 H new ATOM 358 N ALA A 22 15.097 4.079 -0.088 1.00 0.00 N ATOM 359 CA ALA A 22 14.940 3.988 1.361 1.00 0.00 C ATOM 360 C ALA A 22 14.634 2.568 1.794 1.00 0.00 C ATOM 361 O ALA A 22 15.391 1.961 2.553 1.00 0.00 O ATOM 362 CB ALA A 22 13.865 4.948 1.848 1.00 0.00 C ATOM 0 H ALA A 22 14.499 4.772 -0.539 1.00 0.00 H new ATOM 0 HA ALA A 22 15.887 4.276 1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.765 4.863 2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.144 5.969 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.915 4.700 1.375 1.00 0.00 H new ATOM 368 N LEU A 23 13.535 2.035 1.300 1.00 0.00 N ATOM 369 CA LEU A 23 13.148 0.673 1.632 1.00 0.00 C ATOM 370 C LEU A 23 14.194 -0.306 1.117 1.00 0.00 C ATOM 371 O LEU A 23 14.414 -1.364 1.702 1.00 0.00 O ATOM 372 CB LEU A 23 11.764 0.338 1.068 1.00 0.00 C ATOM 373 CG LEU A 23 10.651 0.215 2.116 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.324 -0.131 1.456 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.015 -0.829 3.165 1.00 0.00 C ATOM 0 H LEU A 23 12.895 2.519 0.670 1.00 0.00 H new ATOM 0 HA LEU A 23 13.091 0.586 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.484 1.109 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.830 -0.600 0.517 1.00 0.00 H new ATOM 0 HG LEU A 23 10.544 1.179 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.549 -0.213 2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.055 0.653 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.417 -1.080 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.213 -0.902 3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.154 -1.796 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.939 -0.537 3.664 1.00 0.00 H new ATOM 387 N ALA A 24 14.865 0.071 0.034 1.00 0.00 N ATOM 388 CA ALA A 24 15.914 -0.761 -0.528 1.00 0.00 C ATOM 389 C ALA A 24 17.040 -0.896 0.483 1.00 0.00 C ATOM 390 O ALA A 24 17.650 -1.958 0.616 1.00 0.00 O ATOM 391 CB ALA A 24 16.425 -0.175 -1.835 1.00 0.00 C ATOM 0 H ALA A 24 14.700 0.944 -0.468 1.00 0.00 H new ATOM 0 HA ALA A 24 15.511 -1.750 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.210 -0.815 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.605 -0.112 -2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.826 0.822 -1.654 1.00 0.00 H new ATOM 397 N GLY A 25 17.288 0.186 1.220 1.00 0.00 N ATOM 398 CA GLY A 25 18.313 0.154 2.238 1.00 0.00 C ATOM 399 C GLY A 25 17.943 -0.803 3.355 1.00 0.00 C ATOM 400 O GLY A 25 18.811 -1.327 4.053 1.00 0.00 O ATOM 0 H GLY A 25 16.798 1.076 1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.261 -0.149 1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.457 1.155 2.645 1.00 0.00 H new ATOM 404 N ALA A 26 16.637 -1.035 3.518 1.00 0.00 N ATOM 405 CA ALA A 26 16.139 -1.936 4.544 1.00 0.00 C ATOM 406 C ALA A 26 16.316 -3.398 4.131 1.00 0.00 C ATOM 407 O ALA A 26 16.241 -4.299 4.967 1.00 0.00 O ATOM 408 CB ALA A 26 14.672 -1.639 4.847 1.00 0.00 C ATOM 0 H ALA A 26 15.909 -0.606 2.947 1.00 0.00 H new ATOM 0 HA ALA A 26 16.724 -1.771 5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.314 -2.322 5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.574 -0.612 5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.080 -1.771 3.942 1.00 0.00 H new ATOM 414 N GLY A 27 16.571 -3.626 2.841 1.00 0.00 N ATOM 415 CA GLY A 27 16.777 -4.979 2.351 1.00 0.00 C ATOM 416 C GLY A 27 15.558 -5.578 1.664 1.00 0.00 C ATOM 417 O GLY A 27 15.408 -6.799 1.634 1.00 0.00 O ATOM 0 H GLY A 27 16.638 -2.898 2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.613 -4.978 1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.062 -5.618 3.187 1.00 0.00 H new ATOM 421 N LEU A 28 14.684 -4.739 1.113 1.00 0.00 N ATOM 422 CA LEU A 28 13.491 -5.239 0.441 1.00 0.00 C ATOM 423 C LEU A 28 13.387 -4.729 -0.994 1.00 0.00 C ATOM 424 O LEU A 28 14.149 -3.858 -1.417 1.00 0.00 O ATOM 425 CB LEU A 28 12.231 -4.857 1.221 1.00 0.00 C ATOM 426 CG LEU A 28 12.446 -4.585 2.707 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.783 -3.126 2.925 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.221 -4.985 3.516 1.00 0.00 C ATOM 0 H LEU A 28 14.778 -3.723 1.119 1.00 0.00 H new ATOM 0 HA LEU A 28 13.577 -6.325 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.796 -3.968 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.501 -5.659 1.117 1.00 0.00 H new ATOM 0 HG LEU A 28 13.284 -5.191 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.934 -2.943 3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.694 -2.878 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.963 -2.505 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.400 -4.781 4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.358 -4.412 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.026 -6.049 3.380 1.00 0.00 H new ATOM 440 N THR A 29 12.429 -5.282 -1.735 1.00 0.00 N ATOM 441 CA THR A 29 12.203 -4.892 -3.123 1.00 0.00 C ATOM 442 C THR A 29 11.044 -3.902 -3.215 1.00 0.00 C ATOM 443 O THR A 29 9.882 -4.273 -3.049 1.00 0.00 O ATOM 444 CB THR A 29 11.912 -6.128 -3.979 1.00 0.00 C ATOM 445 OG1 THR A 29 13.060 -6.950 -4.080 1.00 0.00 O ATOM 446 CG2 THR A 29 11.465 -5.791 -5.384 1.00 0.00 C ATOM 0 H THR A 29 11.795 -6.005 -1.394 1.00 0.00 H new ATOM 0 HA THR A 29 13.104 -4.408 -3.500 1.00 0.00 H new ATOM 0 HB THR A 29 11.099 -6.646 -3.470 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.853 -7.735 -4.629 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.276 -6.711 -5.936 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.551 -5.198 -5.343 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.245 -5.220 -5.887 1.00 0.00 H new ATOM 454 N CYS A 30 11.372 -2.635 -3.461 1.00 0.00 N ATOM 455 CA CYS A 30 10.361 -1.587 -3.550 1.00 0.00 C ATOM 456 C CYS A 30 10.066 -1.182 -4.992 1.00 0.00 C ATOM 457 O CYS A 30 10.907 -0.592 -5.670 1.00 0.00 O ATOM 458 CB CYS A 30 10.818 -0.365 -2.757 1.00 0.00 C ATOM 459 SG CYS A 30 9.621 0.990 -2.724 1.00 0.00 S ATOM 0 H CYS A 30 12.329 -2.311 -3.602 1.00 0.00 H new ATOM 0 HA CYS A 30 9.439 -1.988 -3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.032 -0.670 -1.733 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.752 0.001 -3.182 1.00 0.00 H new ATOM 0 HG CYS A 30 9.878 1.772 -1.717 1.00 0.00 H new ATOM 465 N THR A 31 8.847 -1.476 -5.438 1.00 0.00 N ATOM 466 CA THR A 31 8.412 -1.118 -6.782 1.00 0.00 C ATOM 467 C THR A 31 7.189 -0.214 -6.674 1.00 0.00 C ATOM 468 O THR A 31 6.416 -0.326 -5.722 1.00 0.00 O ATOM 469 CB THR A 31 8.087 -2.372 -7.607 1.00 0.00 C ATOM 470 OG1 THR A 31 8.146 -2.090 -8.994 1.00 0.00 O ATOM 471 CG2 THR A 31 6.708 -2.930 -7.336 1.00 0.00 C ATOM 0 H THR A 31 8.142 -1.963 -4.885 1.00 0.00 H new ATOM 0 HA THR A 31 9.216 -0.590 -7.295 1.00 0.00 H new ATOM 0 HB THR A 31 8.835 -3.106 -7.309 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.938 -2.902 -9.502 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.546 -3.814 -7.952 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.626 -3.201 -6.283 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.957 -2.177 -7.577 1.00 0.00 H new ATOM 479 N THR A 32 7.019 0.692 -7.626 1.00 0.00 N ATOM 480 CA THR A 32 5.894 1.614 -7.585 1.00 0.00 C ATOM 481 C THR A 32 4.990 1.478 -8.802 1.00 0.00 C ATOM 482 O THR A 32 5.339 0.831 -9.789 1.00 0.00 O ATOM 483 CB THR A 32 6.401 3.040 -7.455 1.00 0.00 C ATOM 484 OG1 THR A 32 7.052 3.459 -8.643 1.00 0.00 O ATOM 485 CG2 THR A 32 7.371 3.200 -6.307 1.00 0.00 C ATOM 0 H THR A 32 7.638 0.808 -8.428 1.00 0.00 H new ATOM 0 HA THR A 32 5.291 1.360 -6.713 1.00 0.00 H new ATOM 0 HB THR A 32 5.522 3.656 -7.267 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.504 4.133 -9.096 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.705 4.236 -6.255 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.877 2.931 -5.373 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.231 2.549 -6.464 1.00 0.00 H new ATOM 493 N PHE A 33 3.809 2.072 -8.693 1.00 0.00 N ATOM 494 CA PHE A 33 2.806 2.012 -9.743 1.00 0.00 C ATOM 495 C PHE A 33 2.172 3.381 -9.988 1.00 0.00 C ATOM 496 O PHE A 33 2.466 4.348 -9.283 1.00 0.00 O ATOM 497 CB PHE A 33 1.741 0.983 -9.386 1.00 0.00 C ATOM 498 CG PHE A 33 2.287 -0.405 -9.174 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.160 -0.671 -8.133 1.00 0.00 C ATOM 500 CD2 PHE A 33 1.924 -1.443 -10.014 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.662 -1.942 -7.934 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.419 -2.716 -9.819 1.00 0.00 C ATOM 503 CZ PHE A 33 3.287 -2.968 -8.782 1.00 0.00 C ATOM 0 H PHE A 33 3.521 2.608 -7.874 1.00 0.00 H new ATOM 0 HA PHE A 33 3.298 1.709 -10.667 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.227 1.304 -8.480 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.996 0.953 -10.181 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.453 0.127 -7.467 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.245 -1.254 -10.832 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.345 -2.134 -7.119 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.124 -3.516 -10.482 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.675 -3.965 -8.630 1.00 0.00 H new ATOM 513 N GLU A 34 1.329 3.460 -11.018 1.00 0.00 N ATOM 514 CA GLU A 34 0.678 4.710 -11.404 1.00 0.00 C ATOM 515 C GLU A 34 -0.232 5.271 -10.309 1.00 0.00 C ATOM 516 O GLU A 34 -0.215 6.477 -10.056 1.00 0.00 O ATOM 517 CB GLU A 34 -0.140 4.489 -12.679 1.00 0.00 C ATOM 518 CG GLU A 34 -1.172 3.379 -12.549 1.00 0.00 C ATOM 519 CD GLU A 34 -2.542 3.884 -12.145 1.00 0.00 C ATOM 520 OE1 GLU A 34 -2.867 5.046 -12.467 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.290 3.113 -11.505 1.00 0.00 O ATOM 0 H GLU A 34 1.080 2.664 -11.605 1.00 0.00 H new ATOM 0 HA GLU A 34 1.468 5.442 -11.574 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.647 5.417 -12.942 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.537 4.252 -13.500 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.252 2.852 -13.500 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.827 2.655 -11.811 1.00 0.00 H new ATOM 528 N ASN A 35 -1.025 4.424 -9.657 1.00 0.00 N ATOM 529 CA ASN A 35 -1.915 4.908 -8.604 1.00 0.00 C ATOM 530 C ASN A 35 -2.484 3.784 -7.754 1.00 0.00 C ATOM 531 O ASN A 35 -2.249 3.724 -6.546 1.00 0.00 O ATOM 532 CB ASN A 35 -3.057 5.729 -9.208 1.00 0.00 C ATOM 533 CG ASN A 35 -2.711 7.200 -9.308 1.00 0.00 C ATOM 534 OD1 ASN A 35 -2.606 7.754 -10.402 1.00 0.00 O ATOM 535 ND2 ASN A 35 -2.528 7.839 -8.159 1.00 0.00 N ATOM 0 H ASN A 35 -1.071 3.420 -9.833 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.313 5.538 -7.949 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.294 5.345 -10.200 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.952 5.608 -8.597 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.290 8.831 -8.159 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.626 7.338 -7.276 1.00 0.00 H new ATOM 542 N GLY A 36 -3.251 2.916 -8.382 1.00 0.00 N ATOM 543 CA GLY A 36 -3.867 1.821 -7.660 1.00 0.00 C ATOM 544 C GLY A 36 -4.249 0.654 -8.547 1.00 0.00 C ATOM 545 O GLY A 36 -3.947 -0.495 -8.229 1.00 0.00 O ATOM 0 H GLY A 36 -3.461 2.946 -9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.180 1.472 -6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.758 2.187 -7.151 1.00 0.00 H new ATOM 549 N ASN A 37 -4.929 0.943 -9.653 1.00 0.00 N ATOM 550 CA ASN A 37 -5.368 -0.102 -10.573 1.00 0.00 C ATOM 551 C ASN A 37 -4.186 -0.874 -11.143 1.00 0.00 C ATOM 552 O ASN A 37 -4.322 -2.024 -11.559 1.00 0.00 O ATOM 553 CB ASN A 37 -6.206 0.492 -11.706 1.00 0.00 C ATOM 554 CG ASN A 37 -7.558 -0.186 -11.842 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.358 -0.136 -10.781 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -7.880 -0.747 -12.889 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.187 1.889 -9.933 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.986 -0.799 -10.007 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.353 1.557 -11.526 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.660 0.400 -12.645 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.235 -0.762 -13.679 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.792 -1.197 -12.967 1.00 0.00 H new ATOM 563 N GLU A 38 -3.027 -0.234 -11.163 1.00 0.00 N ATOM 564 CA GLU A 38 -1.822 -0.857 -11.684 1.00 0.00 C ATOM 565 C GLU A 38 -1.467 -2.120 -10.899 1.00 0.00 C ATOM 566 O GLU A 38 -1.392 -3.206 -11.472 1.00 0.00 O ATOM 567 CB GLU A 38 -0.670 0.139 -11.641 1.00 0.00 C ATOM 568 CG GLU A 38 0.014 0.351 -12.983 1.00 0.00 C ATOM 569 CD GLU A 38 1.316 -0.417 -13.101 1.00 0.00 C ATOM 570 OE1 GLU A 38 1.264 -1.635 -13.369 1.00 0.00 O ATOM 571 OE2 GLU A 38 2.388 0.202 -12.921 1.00 0.00 O ATOM 0 H GLU A 38 -2.896 0.719 -10.823 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.005 -1.151 -12.717 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.045 1.097 -11.280 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.069 -0.207 -10.918 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.659 0.042 -13.783 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.209 1.414 -13.123 1.00 0.00 H new ATOM 578 N VAL A 39 -1.249 -1.987 -9.587 1.00 0.00 N ATOM 579 CA VAL A 39 -0.904 -3.152 -8.771 1.00 0.00 C ATOM 580 C VAL A 39 -1.912 -4.277 -8.966 1.00 0.00 C ATOM 581 O VAL A 39 -1.555 -5.452 -8.940 1.00 0.00 O ATOM 582 CB VAL A 39 -0.838 -2.832 -7.265 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.130 -3.951 -6.520 1.00 0.00 C ATOM 584 CG2 VAL A 39 -0.146 -1.509 -7.013 1.00 0.00 C ATOM 0 H VAL A 39 -1.304 -1.105 -9.078 1.00 0.00 H new ATOM 0 HA VAL A 39 0.086 -3.459 -9.109 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.859 -2.750 -6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.090 -3.712 -5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.675 -4.884 -6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.884 -4.060 -6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.116 -1.313 -5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.871 -1.550 -7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.694 -0.711 -7.513 1.00 0.00 H new ATOM 594 N LEU A 40 -3.173 -3.910 -9.152 1.00 0.00 N ATOM 595 CA LEU A 40 -4.232 -4.894 -9.343 1.00 0.00 C ATOM 596 C LEU A 40 -3.914 -5.818 -10.514 1.00 0.00 C ATOM 597 O LEU A 40 -4.116 -7.030 -10.439 1.00 0.00 O ATOM 598 CB LEU A 40 -5.571 -4.195 -9.583 1.00 0.00 C ATOM 599 CG LEU A 40 -5.893 -3.044 -8.623 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.293 -2.507 -8.888 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.764 -3.501 -7.177 1.00 0.00 C ATOM 0 H LEU A 40 -3.488 -2.940 -9.175 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.300 -5.495 -8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.583 -3.809 -10.602 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.367 -4.937 -9.514 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.175 -2.242 -8.795 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.506 -1.690 -8.198 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.354 -2.141 -9.913 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.022 -3.304 -8.743 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.996 -2.670 -6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.458 -4.320 -6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.745 -3.840 -6.992 1.00 0.00 H new ATOM 613 N ALA A 41 -3.414 -5.233 -11.597 1.00 0.00 N ATOM 614 CA ALA A 41 -3.068 -5.998 -12.787 1.00 0.00 C ATOM 615 C ALA A 41 -1.757 -6.744 -12.599 1.00 0.00 C ATOM 616 O ALA A 41 -1.653 -7.932 -12.900 1.00 0.00 O ATOM 617 CB ALA A 41 -2.976 -5.082 -13.996 1.00 0.00 C ATOM 0 H ALA A 41 -3.240 -4.231 -11.674 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.857 -6.731 -12.954 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.717 -5.668 -14.878 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.937 -4.592 -14.155 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.209 -4.328 -13.823 1.00 0.00 H new ATOM 623 N ALA A 42 -0.762 -6.029 -12.100 1.00 0.00 N ATOM 624 CA ALA A 42 0.557 -6.603 -11.863 1.00 0.00 C ATOM 625 C ALA A 42 0.485 -7.709 -10.822 1.00 0.00 C ATOM 626 O ALA A 42 1.188 -8.715 -10.917 1.00 0.00 O ATOM 627 CB ALA A 42 1.539 -5.525 -11.425 1.00 0.00 C ATOM 0 H ALA A 42 -0.842 -5.044 -11.849 1.00 0.00 H new ATOM 0 HA ALA A 42 0.912 -7.036 -12.798 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.518 -5.973 -11.253 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.619 -4.767 -12.204 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.185 -5.062 -10.504 1.00 0.00 H new ATOM 633 N LEU A 43 -0.373 -7.517 -9.828 1.00 0.00 N ATOM 634 CA LEU A 43 -0.542 -8.497 -8.767 1.00 0.00 C ATOM 635 C LEU A 43 -0.995 -9.841 -9.327 1.00 0.00 C ATOM 636 O LEU A 43 -0.833 -10.878 -8.686 1.00 0.00 O ATOM 637 CB LEU A 43 -1.546 -7.992 -7.733 1.00 0.00 C ATOM 638 CG LEU A 43 -0.938 -7.129 -6.632 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.010 -6.333 -5.905 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.171 -8.002 -5.658 1.00 0.00 C ATOM 0 H LEU A 43 -0.963 -6.690 -9.736 1.00 0.00 H new ATOM 0 HA LEU A 43 0.424 -8.639 -8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.317 -7.416 -8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.039 -8.849 -7.275 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.250 -6.418 -7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.548 -5.727 -5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.524 -5.683 -6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.728 -7.018 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.261 -7.380 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.848 -8.731 -5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.626 -8.524 -6.187 1.00 0.00 H new ATOM 652 N ALA A 44 -1.560 -9.810 -10.528 1.00 0.00 N ATOM 653 CA ALA A 44 -2.036 -11.020 -11.184 1.00 0.00 C ATOM 654 C ALA A 44 -0.897 -12.003 -11.439 1.00 0.00 C ATOM 655 O ALA A 44 -1.133 -13.181 -11.707 1.00 0.00 O ATOM 656 CB ALA A 44 -2.725 -10.664 -12.492 1.00 0.00 C ATOM 0 H ALA A 44 -1.700 -8.956 -11.068 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.751 -11.505 -10.519 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.078 -11.574 -12.977 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.572 -10.008 -12.290 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.019 -10.154 -13.148 1.00 0.00 H new ATOM 662 N SER A 45 0.340 -11.514 -11.369 1.00 0.00 N ATOM 663 CA SER A 45 1.504 -12.352 -11.605 1.00 0.00 C ATOM 664 C SER A 45 2.440 -12.391 -10.392 1.00 0.00 C ATOM 665 O SER A 45 3.422 -13.136 -10.390 1.00 0.00 O ATOM 666 CB SER A 45 2.264 -11.856 -12.838 1.00 0.00 C ATOM 667 OG SER A 45 1.944 -12.631 -13.981 1.00 0.00 O ATOM 0 H SER A 45 0.557 -10.542 -11.151 1.00 0.00 H new ATOM 0 HA SER A 45 1.148 -13.368 -11.777 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.019 -10.810 -13.024 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.337 -11.904 -12.651 1.00 0.00 H new ATOM 0 HG SER A 45 2.441 -12.293 -14.755 1.00 0.00 H new ATOM 673 N LYS A 46 2.146 -11.589 -9.369 1.00 0.00 N ATOM 674 CA LYS A 46 2.979 -11.550 -8.172 1.00 0.00 C ATOM 675 C LYS A 46 2.241 -10.903 -7.003 1.00 0.00 C ATOM 676 O LYS A 46 1.263 -10.185 -7.195 1.00 0.00 O ATOM 677 CB LYS A 46 4.273 -10.783 -8.450 1.00 0.00 C ATOM 678 CG LYS A 46 5.505 -11.422 -7.832 1.00 0.00 C ATOM 679 CD LYS A 46 6.275 -10.435 -6.967 1.00 0.00 C ATOM 680 CE LYS A 46 7.776 -10.606 -7.127 1.00 0.00 C ATOM 681 NZ LYS A 46 8.281 -11.805 -6.404 1.00 0.00 N ATOM 0 H LYS A 46 1.342 -10.962 -9.347 1.00 0.00 H new ATOM 0 HA LYS A 46 3.218 -12.579 -7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.416 -10.707 -9.528 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.172 -9.767 -8.069 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.207 -12.279 -7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.155 -11.798 -8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.993 -9.417 -7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.001 -10.576 -5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.020 -10.692 -8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.284 -9.717 -6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.309 -11.884 -6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.071 -11.713 -5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.816 -12.657 -6.777 1.00 0.00 H new ATOM 695 N THR A 47 2.721 -11.159 -5.789 1.00 0.00 N ATOM 696 CA THR A 47 2.112 -10.596 -4.596 1.00 0.00 C ATOM 697 C THR A 47 3.169 -10.124 -3.595 1.00 0.00 C ATOM 698 O THR A 47 3.911 -10.934 -3.041 1.00 0.00 O ATOM 699 CB THR A 47 1.183 -11.614 -3.930 1.00 0.00 C ATOM 700 OG1 THR A 47 0.140 -11.994 -4.810 1.00 0.00 O ATOM 701 CG2 THR A 47 0.542 -11.094 -2.657 1.00 0.00 C ATOM 0 H THR A 47 3.530 -11.753 -5.609 1.00 0.00 H new ATOM 0 HA THR A 47 1.527 -9.731 -4.908 1.00 0.00 H new ATOM 0 HB THR A 47 1.818 -12.464 -3.680 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.441 -12.646 -4.366 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.104 -11.863 -2.234 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.319 -10.837 -1.937 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.050 -10.207 -2.884 1.00 0.00 H new ATOM 709 N PRO A 48 3.237 -8.806 -3.330 1.00 0.00 N ATOM 710 CA PRO A 48 4.188 -8.243 -2.372 1.00 0.00 C ATOM 711 C PRO A 48 3.782 -8.551 -0.937 1.00 0.00 C ATOM 712 O PRO A 48 2.611 -8.814 -0.658 1.00 0.00 O ATOM 713 CB PRO A 48 4.107 -6.738 -2.638 1.00 0.00 C ATOM 714 CG PRO A 48 2.727 -6.526 -3.157 1.00 0.00 C ATOM 715 CD PRO A 48 2.375 -7.769 -3.927 1.00 0.00 C ATOM 0 HA PRO A 48 5.191 -8.653 -2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.282 -6.164 -1.728 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.857 -6.422 -3.363 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.024 -6.362 -2.340 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.683 -5.645 -3.798 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.319 -8.018 -3.824 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.572 -7.649 -4.992 1.00 0.00 H new ATOM 723 N ASP A 49 4.749 -8.524 -0.029 1.00 0.00 N ATOM 724 CA ASP A 49 4.481 -8.807 1.376 1.00 0.00 C ATOM 725 C ASP A 49 3.822 -7.614 2.065 1.00 0.00 C ATOM 726 O ASP A 49 3.163 -7.772 3.092 1.00 0.00 O ATOM 727 CB ASP A 49 5.776 -9.177 2.100 1.00 0.00 C ATOM 728 CG ASP A 49 6.407 -10.441 1.549 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.747 -11.499 1.590 1.00 0.00 O ATOM 730 OD2 ASP A 49 7.561 -10.371 1.076 1.00 0.00 O ATOM 0 H ASP A 49 5.724 -8.310 -0.239 1.00 0.00 H new ATOM 0 HA ASP A 49 3.792 -9.650 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.485 -8.353 2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.570 -9.311 3.162 1.00 0.00 H new ATOM 735 N VAL A 50 4.015 -6.421 1.507 1.00 0.00 N ATOM 736 CA VAL A 50 3.446 -5.214 2.090 1.00 0.00 C ATOM 737 C VAL A 50 3.156 -4.157 1.019 1.00 0.00 C ATOM 738 O VAL A 50 4.051 -3.425 0.598 1.00 0.00 O ATOM 739 CB VAL A 50 4.408 -4.633 3.140 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.751 -4.324 2.503 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.818 -3.398 3.799 1.00 0.00 C ATOM 0 H VAL A 50 4.558 -6.267 0.657 1.00 0.00 H new ATOM 0 HA VAL A 50 2.503 -5.486 2.565 1.00 0.00 H new ATOM 0 HB VAL A 50 4.559 -5.379 3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.425 -3.913 3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.179 -5.239 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.615 -3.597 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.520 -3.009 4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.628 -2.637 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.882 -3.661 4.292 1.00 0.00 H new ATOM 751 N LEU A 51 1.899 -4.085 0.581 1.00 0.00 N ATOM 752 CA LEU A 51 1.495 -3.114 -0.435 1.00 0.00 C ATOM 753 C LEU A 51 1.119 -1.777 0.191 1.00 0.00 C ATOM 754 O LEU A 51 0.441 -1.728 1.219 1.00 0.00 O ATOM 755 CB LEU A 51 0.322 -3.645 -1.261 1.00 0.00 C ATOM 756 CG LEU A 51 -0.044 -2.795 -2.482 1.00 0.00 C ATOM 757 CD1 LEU A 51 1.054 -2.860 -3.530 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.371 -3.249 -3.069 1.00 0.00 C ATOM 0 H LEU A 51 1.145 -4.686 0.913 1.00 0.00 H new ATOM 0 HA LEU A 51 2.351 -2.959 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.561 -4.654 -1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.553 -3.723 -0.615 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.147 -1.759 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.774 -2.250 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.985 -2.484 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.192 -3.893 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.615 -2.634 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.296 -4.293 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.155 -3.146 -2.319 1.00 0.00 H new ATOM 770 N LEU A 52 1.551 -0.696 -0.446 1.00 0.00 N ATOM 771 CA LEU A 52 1.262 0.654 0.025 1.00 0.00 C ATOM 772 C LEU A 52 0.557 1.443 -1.077 1.00 0.00 C ATOM 773 O LEU A 52 1.152 1.715 -2.115 1.00 0.00 O ATOM 774 CB LEU A 52 2.574 1.350 0.399 1.00 0.00 C ATOM 775 CG LEU A 52 2.624 1.991 1.784 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.059 2.355 2.139 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.733 3.222 1.834 1.00 0.00 C ATOM 0 H LEU A 52 2.109 -0.729 -1.299 1.00 0.00 H new ATOM 0 HA LEU A 52 0.613 0.604 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.381 0.621 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.777 2.122 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 52 2.254 1.273 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.084 2.812 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.673 1.455 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.448 3.060 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.781 3.666 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.074 3.948 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.705 2.936 1.614 1.00 0.00 H new ATOM 789 N SER A 53 -0.706 1.807 -0.857 1.00 0.00 N ATOM 790 CA SER A 53 -1.464 2.554 -1.863 1.00 0.00 C ATOM 791 C SER A 53 -1.863 3.946 -1.368 1.00 0.00 C ATOM 792 O SER A 53 -1.991 4.186 -0.167 1.00 0.00 O ATOM 793 CB SER A 53 -2.713 1.767 -2.275 1.00 0.00 C ATOM 794 OG SER A 53 -2.767 1.594 -3.681 1.00 0.00 O ATOM 0 H SER A 53 -1.222 1.600 -0.002 1.00 0.00 H new ATOM 0 HA SER A 53 -0.814 2.687 -2.727 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.711 0.793 -1.786 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.606 2.292 -1.936 1.00 0.00 H new ATOM 0 HG SER A 53 -3.229 0.755 -3.890 1.00 0.00 H new ATOM 800 N ASP A 54 -2.065 4.859 -2.319 1.00 0.00 N ATOM 801 CA ASP A 54 -2.462 6.230 -2.010 1.00 0.00 C ATOM 802 C ASP A 54 -3.971 6.323 -1.809 1.00 0.00 C ATOM 803 O ASP A 54 -4.660 5.305 -1.741 1.00 0.00 O ATOM 804 CB ASP A 54 -2.034 7.170 -3.140 1.00 0.00 C ATOM 805 CG ASP A 54 -2.677 6.809 -4.468 1.00 0.00 C ATOM 806 OD1 ASP A 54 -3.874 6.456 -4.475 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.980 6.880 -5.501 1.00 0.00 O ATOM 0 H ASP A 54 -1.959 4.670 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.967 6.528 -1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.299 8.194 -2.877 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.949 7.139 -3.244 1.00 0.00 H new ATOM 812 N ILE A 55 -4.484 7.547 -1.732 1.00 0.00 N ATOM 813 CA ILE A 55 -5.913 7.751 -1.563 1.00 0.00 C ATOM 814 C ILE A 55 -6.333 9.142 -2.027 1.00 0.00 C ATOM 815 O ILE A 55 -6.781 9.968 -1.235 1.00 0.00 O ATOM 816 CB ILE A 55 -6.342 7.519 -0.099 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.860 7.662 0.068 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.605 8.466 0.828 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.515 6.442 0.684 1.00 0.00 C ATOM 0 H ILE A 55 -3.934 8.405 -1.784 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.421 7.016 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.076 6.497 0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.069 8.531 0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.309 7.853 -0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.920 8.288 1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.532 8.296 0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.832 9.496 0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.588 6.611 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.336 5.574 0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.093 6.262 1.673 1.00 0.00 H new ATOM 831 N ARG A 56 -6.189 9.382 -3.331 1.00 0.00 N ATOM 832 CA ARG A 56 -6.557 10.664 -3.919 1.00 0.00 C ATOM 833 C ARG A 56 -6.359 10.655 -5.436 1.00 0.00 C ATOM 834 O ARG A 56 -5.529 11.395 -5.966 1.00 0.00 O ATOM 835 CB ARG A 56 -5.742 11.798 -3.288 1.00 0.00 C ATOM 836 CG ARG A 56 -4.236 11.578 -3.328 1.00 0.00 C ATOM 837 CD ARG A 56 -3.492 12.701 -2.622 1.00 0.00 C ATOM 838 NE ARG A 56 -2.082 12.377 -2.408 1.00 0.00 N ATOM 839 CZ ARG A 56 -1.159 13.271 -2.059 1.00 0.00 C ATOM 840 NH1 ARG A 56 -1.486 14.547 -1.887 1.00 0.00 N ATOM 841 NH2 ARG A 56 0.096 12.888 -1.879 1.00 0.00 N ATOM 0 H ARG A 56 -5.820 8.704 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.614 10.832 -3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.976 12.730 -3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.053 11.921 -2.251 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.993 10.626 -2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.903 11.514 -4.364 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.568 13.614 -3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.967 12.903 -1.662 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.788 11.408 -2.534 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.451 14.849 -2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.772 15.225 -1.620 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.354 11.910 -2.008 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.804 13.571 -1.612 1.00 0.00 H new ATOM 855 N MET A 57 -7.135 9.825 -6.133 1.00 0.00 N ATOM 856 CA MET A 57 -7.043 9.743 -7.589 1.00 0.00 C ATOM 857 C MET A 57 -8.288 9.086 -8.200 1.00 0.00 C ATOM 858 O MET A 57 -9.027 9.733 -8.940 1.00 0.00 O ATOM 859 CB MET A 57 -5.772 8.999 -8.016 1.00 0.00 C ATOM 860 CG MET A 57 -5.166 9.536 -9.298 1.00 0.00 C ATOM 861 SD MET A 57 -4.062 10.929 -9.011 1.00 0.00 S ATOM 862 CE MET A 57 -4.926 12.216 -9.905 1.00 0.00 C ATOM 0 H MET A 57 -7.829 9.205 -5.716 1.00 0.00 H new ATOM 0 HA MET A 57 -6.989 10.763 -7.970 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.034 9.067 -7.217 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.004 7.942 -8.147 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.616 8.738 -9.798 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.965 9.843 -9.972 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.370 13.150 -9.826 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.014 11.934 -10.954 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.921 12.349 -9.480 1.00 0.00 H new ATOM 872 N PRO A 58 -8.546 7.794 -7.906 1.00 0.00 N ATOM 873 CA PRO A 58 -9.716 7.083 -8.448 1.00 0.00 C ATOM 874 C PRO A 58 -11.041 7.639 -7.932 1.00 0.00 C ATOM 875 O PRO A 58 -11.073 8.659 -7.244 1.00 0.00 O ATOM 876 CB PRO A 58 -9.524 5.648 -7.949 1.00 0.00 C ATOM 877 CG PRO A 58 -8.666 5.786 -6.739 1.00 0.00 C ATOM 878 CD PRO A 58 -7.731 6.920 -7.040 1.00 0.00 C ATOM 0 HA PRO A 58 -9.771 7.178 -9.533 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.479 5.181 -7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.046 5.025 -8.705 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.266 5.996 -5.854 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.116 4.866 -6.540 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.412 7.433 -6.133 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -6.829 6.577 -7.546 1.00 0.00 H new ATOM 886 N GLY A 59 -12.135 6.955 -8.269 1.00 0.00 N ATOM 887 CA GLY A 59 -13.451 7.385 -7.830 1.00 0.00 C ATOM 888 C GLY A 59 -13.552 7.471 -6.322 1.00 0.00 C ATOM 889 O GLY A 59 -13.685 8.561 -5.762 1.00 0.00 O ATOM 0 H GLY A 59 -12.131 6.109 -8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.676 8.359 -8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.202 6.689 -8.203 1.00 0.00 H new ATOM 893 N MET A 60 -13.478 6.320 -5.660 1.00 0.00 N ATOM 894 CA MET A 60 -13.550 6.265 -4.203 1.00 0.00 C ATOM 895 C MET A 60 -12.218 6.698 -3.588 1.00 0.00 C ATOM 896 O MET A 60 -11.615 5.969 -2.803 1.00 0.00 O ATOM 897 CB MET A 60 -13.916 4.848 -3.743 1.00 0.00 C ATOM 898 CG MET A 60 -15.167 4.789 -2.884 1.00 0.00 C ATOM 899 SD MET A 60 -16.226 3.386 -3.290 1.00 0.00 S ATOM 900 CE MET A 60 -15.778 2.236 -1.993 1.00 0.00 C ATOM 0 H MET A 60 -13.368 5.411 -6.110 1.00 0.00 H new ATOM 0 HA MET A 60 -14.326 6.952 -3.866 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.058 4.216 -4.620 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.080 4.431 -3.181 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.879 4.730 -1.834 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.732 5.713 -3.008 1.00 0.00 H new ATOM 0 HE1 MET A 60 -16.009 1.220 -2.312 1.00 0.00 H new ATOM 0 HE2 MET A 60 -14.711 2.318 -1.786 1.00 0.00 H new ATOM 0 HE3 MET A 60 -16.341 2.469 -1.089 1.00 0.00 H new ATOM 910 N ASP A 61 -11.778 7.898 -3.966 1.00 0.00 N ATOM 911 CA ASP A 61 -10.521 8.485 -3.491 1.00 0.00 C ATOM 912 C ASP A 61 -9.374 7.473 -3.452 1.00 0.00 C ATOM 913 O ASP A 61 -8.514 7.478 -4.330 1.00 0.00 O ATOM 914 CB ASP A 61 -10.703 9.154 -2.121 1.00 0.00 C ATOM 915 CG ASP A 61 -11.610 8.381 -1.182 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.807 8.228 -1.501 1.00 0.00 O ATOM 917 OD2 ASP A 61 -11.124 7.940 -0.121 1.00 0.00 O ATOM 0 H ASP A 61 -12.287 8.497 -4.616 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.245 9.250 -4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.726 9.274 -1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.112 10.154 -2.266 1.00 0.00 H new ATOM 922 N GLY A 62 -9.351 6.615 -2.436 1.00 0.00 N ATOM 923 CA GLY A 62 -8.283 5.632 -2.327 1.00 0.00 C ATOM 924 C GLY A 62 -8.779 4.251 -1.974 1.00 0.00 C ATOM 925 O GLY A 62 -8.179 3.256 -2.363 1.00 0.00 O ATOM 0 H GLY A 62 -10.046 6.581 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.743 5.586 -3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.572 5.960 -1.569 1.00 0.00 H new ATOM 929 N LEU A 63 -9.867 4.181 -1.234 1.00 0.00 N ATOM 930 CA LEU A 63 -10.414 2.898 -0.849 1.00 0.00 C ATOM 931 C LEU A 63 -10.963 2.159 -2.069 1.00 0.00 C ATOM 932 O LEU A 63 -11.240 0.963 -2.009 1.00 0.00 O ATOM 933 CB LEU A 63 -11.483 3.059 0.231 1.00 0.00 C ATOM 934 CG LEU A 63 -11.265 4.228 1.198 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.979 5.478 0.710 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.713 3.848 2.597 1.00 0.00 C ATOM 0 H LEU A 63 -10.385 4.990 -0.890 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.609 2.297 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.451 3.186 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.535 2.136 0.808 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.199 4.452 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.808 6.293 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.593 5.758 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.048 5.281 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.552 4.689 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.772 3.592 2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.137 2.990 2.943 1.00 0.00 H new ATOM 948 N ALA A 64 -11.096 2.872 -3.189 1.00 0.00 N ATOM 949 CA ALA A 64 -11.582 2.265 -4.420 1.00 0.00 C ATOM 950 C ALA A 64 -10.707 1.075 -4.799 1.00 0.00 C ATOM 951 O ALA A 64 -11.190 -0.048 -4.943 1.00 0.00 O ATOM 952 CB ALA A 64 -11.596 3.288 -5.545 1.00 0.00 C ATOM 0 H ALA A 64 -10.874 3.865 -3.265 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.601 1.914 -4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.962 2.819 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.251 4.117 -5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.586 3.663 -5.709 1.00 0.00 H new ATOM 958 N LEU A 65 -9.410 1.334 -4.945 1.00 0.00 N ATOM 959 CA LEU A 65 -8.451 0.288 -5.289 1.00 0.00 C ATOM 960 C LEU A 65 -8.539 -0.867 -4.293 1.00 0.00 C ATOM 961 O LEU A 65 -8.506 -2.035 -4.678 1.00 0.00 O ATOM 962 CB LEU A 65 -7.026 0.857 -5.310 1.00 0.00 C ATOM 963 CG LEU A 65 -6.652 1.684 -4.078 1.00 0.00 C ATOM 964 CD1 LEU A 65 -6.166 0.784 -2.955 1.00 0.00 C ATOM 965 CD2 LEU A 65 -5.601 2.731 -4.421 1.00 0.00 C ATOM 0 H LEU A 65 -8.999 2.260 -4.830 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.695 -0.088 -6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.321 0.031 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.910 1.479 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.547 2.205 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.905 1.392 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.955 0.084 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.288 0.230 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.354 3.304 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.704 2.237 -4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.992 3.402 -5.186 1.00 0.00 H new ATOM 977 N LEU A 66 -8.658 -0.530 -3.007 1.00 0.00 N ATOM 978 CA LEU A 66 -8.754 -1.540 -1.952 1.00 0.00 C ATOM 979 C LEU A 66 -9.787 -2.607 -2.308 1.00 0.00 C ATOM 980 O LEU A 66 -9.492 -3.799 -2.281 1.00 0.00 O ATOM 981 CB LEU A 66 -9.116 -0.888 -0.612 1.00 0.00 C ATOM 982 CG LEU A 66 -7.952 -0.226 0.127 1.00 0.00 C ATOM 983 CD1 LEU A 66 -8.466 0.683 1.236 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.007 -1.280 0.687 1.00 0.00 C ATOM 0 H LEU A 66 -8.690 0.433 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.779 -2.019 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.887 -0.138 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.552 -1.647 0.037 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.398 0.387 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.622 1.144 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.098 1.460 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.047 0.096 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.185 -0.791 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.548 -1.921 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.610 -1.883 -0.129 1.00 0.00 H new ATOM 996 N LYS A 67 -11.000 -2.175 -2.643 1.00 0.00 N ATOM 997 CA LYS A 67 -12.061 -3.111 -3.006 1.00 0.00 C ATOM 998 C LYS A 67 -11.606 -4.031 -4.135 1.00 0.00 C ATOM 999 O LYS A 67 -11.847 -5.236 -4.108 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.325 -2.360 -3.426 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.592 -3.194 -3.292 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.842 -2.326 -3.266 1.00 0.00 C ATOM 1003 CE LYS A 67 -17.090 -3.135 -3.592 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.346 -4.199 -2.581 1.00 0.00 N ATOM 0 H LYS A 67 -11.272 -1.192 -2.671 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.288 -3.717 -2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.424 -1.461 -2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.220 -2.035 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.654 -3.896 -4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.542 -3.786 -2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.949 -1.870 -2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.736 -1.513 -3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.951 -2.468 -3.643 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.980 -3.589 -4.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.232 -4.692 -2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.559 -4.879 -2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.426 -3.769 -1.637 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.941 -3.461 -5.130 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.451 -4.247 -6.254 1.00 0.00 C ATOM 1020 C GLN A 68 -9.391 -5.245 -5.791 1.00 0.00 C ATOM 1021 O GLN A 68 -9.210 -6.300 -6.401 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.853 -3.344 -7.334 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.707 -2.141 -7.697 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.777 -2.468 -8.720 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -11.584 -3.320 -9.587 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -12.914 -1.784 -8.630 1.00 0.00 N ATOM 0 H GLN A 68 -10.729 -2.465 -5.183 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.300 -4.788 -6.672 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.878 -2.992 -6.996 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.684 -3.937 -8.233 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.180 -1.751 -6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.066 -1.351 -8.088 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.033 -1.086 -7.896 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.667 -1.957 -9.295 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.679 -4.896 -4.719 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.621 -5.753 -4.185 1.00 0.00 C ATOM 1037 C ILE A 69 -8.173 -7.082 -3.677 1.00 0.00 C ATOM 1038 O ILE A 69 -7.562 -8.133 -3.865 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.838 -5.041 -3.050 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.091 -3.827 -3.599 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.857 -5.987 -2.368 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.547 -2.922 -2.515 1.00 0.00 C ATOM 0 H ILE A 69 -8.816 -4.026 -4.204 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.937 -5.958 -5.009 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.564 -4.712 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.267 -4.168 -4.226 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.762 -3.254 -4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.327 -5.454 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.402 -6.827 -1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.140 -6.358 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.028 -2.079 -2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.370 -2.553 -1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.851 -3.481 -1.889 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.318 -7.025 -3.021 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.946 -8.216 -2.468 1.00 0.00 C ATOM 1056 C LYS A 70 -10.601 -9.069 -3.551 1.00 0.00 C ATOM 1057 O LYS A 70 -10.779 -10.276 -3.382 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.983 -7.822 -1.419 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.158 -7.049 -1.985 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.987 -6.411 -0.885 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.001 -7.390 -0.315 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.391 -6.867 -0.415 1.00 0.00 N ATOM 0 H LYS A 70 -9.836 -6.162 -2.856 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.163 -8.815 -2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.354 -8.723 -0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.499 -7.219 -0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.794 -6.276 -2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.786 -7.718 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.330 -6.061 -0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.505 -5.536 -1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.930 -8.338 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.763 -7.593 0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.053 -7.563 -0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.465 -5.975 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.627 -6.697 -1.414 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.973 -8.433 -4.651 1.00 0.00 N ATOM 1077 CA GLN A 71 -11.627 -9.130 -5.757 1.00 0.00 C ATOM 1078 C GLN A 71 -10.733 -10.204 -6.370 1.00 0.00 C ATOM 1079 O GLN A 71 -11.155 -11.345 -6.560 1.00 0.00 O ATOM 1080 CB GLN A 71 -12.052 -8.128 -6.828 1.00 0.00 C ATOM 1081 CG GLN A 71 -13.560 -7.984 -6.963 1.00 0.00 C ATOM 1082 CD GLN A 71 -13.982 -6.575 -7.332 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -13.517 -5.598 -6.562 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -14.718 -6.367 -8.296 1.00 0.00 N flip ATOM 0 H GLN A 71 -10.835 -7.434 -4.805 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.507 -9.630 -5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.622 -7.154 -6.594 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.638 -8.437 -7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.921 -8.678 -7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.034 -8.266 -6.023 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.052 -7.148 -8.861 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -14.994 -5.413 -8.530 1.00 0.00 H new ATOM 1093 N ARG A 72 -9.512 -9.824 -6.704 1.00 0.00 N ATOM 1094 CA ARG A 72 -8.562 -10.745 -7.332 1.00 0.00 C ATOM 1095 C ARG A 72 -7.613 -11.383 -6.323 1.00 0.00 C ATOM 1096 O ARG A 72 -7.358 -12.586 -6.367 1.00 0.00 O ATOM 1097 CB ARG A 72 -7.751 -10.014 -8.405 1.00 0.00 C ATOM 1098 CG ARG A 72 -8.517 -9.778 -9.698 1.00 0.00 C ATOM 1099 CD ARG A 72 -7.993 -8.561 -10.445 1.00 0.00 C ATOM 1100 NE ARG A 72 -8.219 -8.664 -11.885 1.00 0.00 N ATOM 1101 CZ ARG A 72 -7.454 -9.382 -12.706 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -6.403 -10.042 -12.240 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -7.743 -9.436 -13.998 1.00 0.00 N ATOM 0 H ARG A 72 -9.148 -8.883 -6.553 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.147 -11.545 -7.785 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.422 -9.054 -8.008 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.853 -10.592 -8.625 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.437 -10.659 -10.335 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.575 -9.641 -9.475 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.481 -7.664 -10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.926 -8.449 -10.252 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.008 -8.157 -12.285 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.175 -10.002 -11.247 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.822 -10.590 -12.875 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.550 -8.929 -14.362 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.159 -9.985 -14.629 1.00 0.00 H new ATOM 1117 N HIS A 73 -7.082 -10.564 -5.436 1.00 0.00 N ATOM 1118 CA HIS A 73 -6.131 -11.027 -4.424 1.00 0.00 C ATOM 1119 C HIS A 73 -6.849 -11.436 -3.136 1.00 0.00 C ATOM 1120 O HIS A 73 -7.685 -10.692 -2.624 1.00 0.00 O ATOM 1121 CB HIS A 73 -5.098 -9.926 -4.147 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.931 -8.990 -5.303 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -5.188 -7.670 -5.416 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -4.495 -9.400 -6.546 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -4.913 -7.307 -6.711 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -4.494 -8.371 -7.372 1.00 0.00 N flip ATOM 0 H HIS A 73 -7.290 -9.567 -5.390 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.617 -11.910 -4.805 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.403 -9.360 -3.267 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.137 -10.385 -3.914 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.200 -10.407 -6.803 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.021 -6.314 -7.122 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.217 -8.393 -8.353 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.544 -12.638 -2.601 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.183 -13.144 -1.379 1.00 0.00 C ATOM 1137 C PRO A 74 -7.022 -12.205 -0.186 1.00 0.00 C ATOM 1138 O PRO A 74 -7.988 -11.585 0.259 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.468 -14.475 -1.115 1.00 0.00 C ATOM 1140 CG PRO A 74 -5.917 -14.882 -2.436 1.00 0.00 C ATOM 1141 CD PRO A 74 -5.575 -13.605 -3.153 1.00 0.00 C ATOM 0 HA PRO A 74 -8.261 -13.242 -1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.676 -14.358 -0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.158 -15.224 -0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -5.034 -15.510 -2.314 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.646 -15.463 -3.001 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.547 -13.299 -2.961 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.681 -13.709 -4.233 1.00 0.00 H new ATOM 1149 N MET A 75 -5.804 -12.111 0.338 1.00 0.00 N ATOM 1150 CA MET A 75 -5.538 -11.256 1.487 1.00 0.00 C ATOM 1151 C MET A 75 -4.283 -10.418 1.278 1.00 0.00 C ATOM 1152 O MET A 75 -3.434 -10.319 2.163 1.00 0.00 O ATOM 1153 CB MET A 75 -5.408 -12.104 2.756 1.00 0.00 C ATOM 1154 CG MET A 75 -6.701 -12.795 3.167 1.00 0.00 C ATOM 1155 SD MET A 75 -6.747 -14.534 2.684 1.00 0.00 S ATOM 1156 CE MET A 75 -8.086 -15.144 3.707 1.00 0.00 C ATOM 0 H MET A 75 -4.990 -12.614 -0.014 1.00 0.00 H new ATOM 0 HA MET A 75 -6.379 -10.572 1.600 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.637 -12.859 2.600 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.071 -11.468 3.574 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.821 -12.719 4.248 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.546 -12.274 2.715 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.233 -16.208 3.518 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.839 -14.992 4.758 1.00 0.00 H new ATOM 0 HE3 MET A 75 -9.002 -14.604 3.468 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.179 -9.804 0.106 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.038 -8.963 -0.216 1.00 0.00 C ATOM 1168 C LEU A 76 -2.993 -7.743 0.707 1.00 0.00 C ATOM 1169 O LEU A 76 -3.847 -6.862 0.615 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.118 -8.515 -1.680 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.896 -7.769 -2.213 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -2.012 -6.297 -1.875 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.612 -8.358 -1.652 1.00 0.00 C ATOM 0 H LEU A 76 -4.874 -9.874 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.125 -9.540 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.283 -9.395 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.992 -7.874 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.859 -7.879 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.139 -5.766 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.913 -5.889 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.067 -6.175 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.243 -7.809 -2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.621 -8.282 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.536 -9.406 -1.942 1.00 0.00 H new ATOM 1185 N PRO A 77 -2.002 -7.675 1.620 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.867 -6.553 2.562 1.00 0.00 C ATOM 1187 C PRO A 77 -1.723 -5.215 1.846 1.00 0.00 C ATOM 1188 O PRO A 77 -0.924 -5.081 0.920 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.590 -6.886 3.344 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.423 -8.358 3.185 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.943 -8.681 1.815 1.00 0.00 C ATOM 0 HA PRO A 77 -2.748 -6.445 3.195 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.269 -6.345 2.948 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.685 -6.609 4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.624 -8.646 3.284 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.977 -8.900 3.952 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.164 -8.599 1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.335 -9.697 1.761 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.506 -4.231 2.277 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.480 -2.901 1.674 1.00 0.00 C ATOM 1201 C VAL A 78 -2.377 -1.813 2.732 1.00 0.00 C ATOM 1202 O VAL A 78 -2.829 -1.983 3.867 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.743 -2.629 0.829 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.500 -1.483 -0.142 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.183 -3.880 0.083 1.00 0.00 C ATOM 0 H VAL A 78 -3.170 -4.330 3.045 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.600 -2.879 1.031 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.547 -2.343 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.401 -1.306 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.247 -0.581 0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.677 -1.740 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.075 -3.659 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.383 -4.208 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.407 -4.671 0.799 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.785 -0.689 2.349 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.627 0.436 3.256 1.00 0.00 C ATOM 1217 C ILE A 79 -2.017 1.740 2.578 1.00 0.00 C ATOM 1218 O ILE A 79 -1.379 2.171 1.617 1.00 0.00 O ATOM 1219 CB ILE A 79 -0.180 0.557 3.768 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.347 -0.804 4.227 1.00 0.00 C ATOM 1221 CG2 ILE A 79 -0.104 1.566 4.904 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.803 -1.032 3.888 1.00 0.00 C ATOM 0 H ILE A 79 -1.406 -0.534 1.415 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.287 0.250 4.103 1.00 0.00 H new ATOM 0 HB ILE A 79 0.446 0.907 2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.215 -0.891 5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.252 -1.590 3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.925 1.641 5.256 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.438 2.541 4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.745 1.240 5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.109 -2.016 4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.938 -0.977 2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.413 -0.267 4.369 1.00 0.00 H new ATOM 1234 N ILE A 80 -3.068 2.367 3.086 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.542 3.628 2.532 1.00 0.00 C ATOM 1236 C ILE A 80 -2.927 4.807 3.282 1.00 0.00 C ATOM 1237 O ILE A 80 -2.736 4.746 4.497 1.00 0.00 O ATOM 1238 CB ILE A 80 -5.078 3.721 2.584 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.703 2.432 2.042 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.559 4.924 1.788 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -5.305 2.123 0.616 1.00 0.00 C ATOM 0 H ILE A 80 -3.609 2.024 3.880 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.231 3.666 1.488 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.389 3.847 3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.411 1.599 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.789 2.512 2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.647 4.979 1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.132 5.834 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.243 4.823 0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.784 1.197 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.622 2.938 -0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.222 2.011 0.557 1.00 0.00 H new ATOM 1253 N MET A 81 -2.592 5.865 2.552 1.00 0.00 N ATOM 1254 CA MET A 81 -1.967 7.036 3.163 1.00 0.00 C ATOM 1255 C MET A 81 -2.945 7.848 4.018 1.00 0.00 C ATOM 1256 O MET A 81 -2.553 8.408 5.042 1.00 0.00 O ATOM 1257 CB MET A 81 -1.342 7.932 2.091 1.00 0.00 C ATOM 1258 CG MET A 81 -2.326 8.414 1.041 1.00 0.00 C ATOM 1259 SD MET A 81 -1.565 9.534 -0.148 1.00 0.00 S ATOM 1260 CE MET A 81 -2.234 11.100 0.399 1.00 0.00 C ATOM 0 H MET A 81 -2.740 5.938 1.545 1.00 0.00 H new ATOM 0 HA MET A 81 -1.187 6.664 3.827 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.889 8.797 2.574 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.539 7.385 1.598 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.741 7.555 0.513 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.158 8.919 1.531 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.483 11.880 0.275 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.115 11.346 -0.194 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.513 11.029 1.450 1.00 0.00 H new ATOM 1270 N THR A 82 -4.205 7.925 3.600 1.00 0.00 N ATOM 1271 CA THR A 82 -5.206 8.691 4.345 1.00 0.00 C ATOM 1272 C THR A 82 -6.593 8.075 4.241 1.00 0.00 C ATOM 1273 O THR A 82 -6.938 7.459 3.233 1.00 0.00 O ATOM 1274 CB THR A 82 -5.240 10.135 3.844 1.00 0.00 C ATOM 1275 OG1 THR A 82 -3.927 10.621 3.626 1.00 0.00 O ATOM 1276 CG2 THR A 82 -5.927 11.082 4.803 1.00 0.00 C ATOM 0 H THR A 82 -4.558 7.472 2.757 1.00 0.00 H new ATOM 0 HA THR A 82 -4.915 8.672 5.395 1.00 0.00 H new ATOM 0 HB THR A 82 -5.809 10.107 2.915 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.970 11.546 3.304 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.917 12.090 4.388 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.958 10.762 4.955 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.402 11.077 5.758 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.388 8.257 5.294 1.00 0.00 N ATOM 1285 CA ALA A 83 -8.749 7.735 5.331 1.00 0.00 C ATOM 1286 C ALA A 83 -9.766 8.866 5.219 1.00 0.00 C ATOM 1287 O ALA A 83 -10.281 9.360 6.222 1.00 0.00 O ATOM 1288 CB ALA A 83 -8.984 6.926 6.599 1.00 0.00 C ATOM 0 H ALA A 83 -7.110 8.764 6.134 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.880 7.073 4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.006 6.547 6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.286 6.089 6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.828 7.562 7.470 1.00 0.00 H new ATOM 1294 N HIS A 84 -10.036 9.276 3.988 1.00 0.00 N ATOM 1295 CA HIS A 84 -10.982 10.362 3.724 1.00 0.00 C ATOM 1296 C HIS A 84 -12.415 9.967 4.096 1.00 0.00 C ATOM 1297 O HIS A 84 -12.624 9.051 4.894 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.909 10.765 2.249 1.00 0.00 C ATOM 1299 CG HIS A 84 -9.546 11.207 1.820 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -8.659 11.835 2.669 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -8.919 11.118 0.623 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -7.547 12.114 2.014 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -7.678 11.690 0.770 1.00 0.00 N ATOM 0 H HIS A 84 -9.614 8.874 3.151 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.703 11.211 4.348 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.219 9.920 1.634 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.619 11.571 2.065 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.319 10.679 -0.279 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.678 12.605 2.426 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.973 11.773 0.038 1.00 0.00 H new ATOM 1312 N SER A 85 -13.399 10.670 3.528 1.00 0.00 N ATOM 1313 CA SER A 85 -14.805 10.410 3.829 1.00 0.00 C ATOM 1314 C SER A 85 -15.350 9.215 3.048 1.00 0.00 C ATOM 1315 O SER A 85 -16.054 9.375 2.052 1.00 0.00 O ATOM 1316 CB SER A 85 -15.640 11.653 3.511 1.00 0.00 C ATOM 1317 OG SER A 85 -16.724 11.785 4.414 1.00 0.00 O ATOM 0 H SER A 85 -13.245 11.423 2.857 1.00 0.00 H new ATOM 0 HA SER A 85 -14.874 10.171 4.890 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.010 12.541 3.562 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.018 11.589 2.491 1.00 0.00 H new ATOM 0 HG SER A 85 -17.240 12.587 4.190 1.00 0.00 H new ATOM 1323 N ASP A 86 -15.030 8.016 3.531 1.00 0.00 N ATOM 1324 CA ASP A 86 -15.489 6.774 2.908 1.00 0.00 C ATOM 1325 C ASP A 86 -14.883 5.556 3.613 1.00 0.00 C ATOM 1326 O ASP A 86 -14.718 4.498 3.013 1.00 0.00 O ATOM 1327 CB ASP A 86 -15.124 6.753 1.416 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.785 5.611 0.662 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.263 4.478 0.717 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -16.823 5.855 0.012 1.00 0.00 O ATOM 0 H ASP A 86 -14.450 7.877 4.358 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.574 6.728 3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.417 7.700 0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.042 6.672 1.313 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.547 5.720 4.895 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.944 4.650 5.695 1.00 0.00 C ATOM 1337 C LEU A 87 -14.656 3.311 5.519 1.00 0.00 C ATOM 1338 O LEU A 87 -14.074 2.256 5.769 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.948 5.034 7.174 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.718 5.806 7.652 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.918 6.284 9.081 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.473 4.940 7.544 1.00 0.00 C ATOM 0 H LEU A 87 -14.684 6.592 5.405 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.921 4.529 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.835 5.636 7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.039 4.125 7.768 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.583 6.679 7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.035 6.832 9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.789 6.938 9.127 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.074 5.425 9.733 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.606 5.504 7.888 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.595 4.050 8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.324 4.644 6.505 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.914 3.353 5.104 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.696 2.135 4.916 1.00 0.00 C ATOM 1356 C ASP A 88 -15.918 1.094 4.117 1.00 0.00 C ATOM 1357 O ASP A 88 -15.867 -0.077 4.495 1.00 0.00 O ATOM 1358 CB ASP A 88 -18.017 2.451 4.211 1.00 0.00 C ATOM 1359 CG ASP A 88 -19.049 3.029 5.156 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -19.348 2.377 6.178 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.559 4.135 4.877 1.00 0.00 O ATOM 0 H ASP A 88 -16.416 4.215 4.891 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.906 1.722 5.902 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.834 3.157 3.401 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.411 1.541 3.758 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.312 1.524 3.015 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.542 0.623 2.174 1.00 0.00 C ATOM 1368 C ALA A 89 -13.208 0.264 2.821 1.00 0.00 C ATOM 1369 O ALA A 89 -12.609 -0.763 2.501 1.00 0.00 O ATOM 1370 CB ALA A 89 -14.325 1.240 0.803 1.00 0.00 C ATOM 0 H ALA A 89 -15.341 2.489 2.686 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.111 -0.300 2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.747 0.555 0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.290 1.429 0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.782 2.179 0.909 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.749 1.110 3.742 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.489 0.872 4.438 1.00 0.00 C ATOM 1378 C ALA A 90 -11.569 -0.371 5.309 1.00 0.00 C ATOM 1379 O ALA A 90 -10.619 -1.153 5.378 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.102 2.069 5.296 1.00 0.00 C ATOM 0 H ALA A 90 -13.231 1.964 4.022 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.724 0.720 3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.159 1.864 5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.989 2.949 4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.880 2.252 6.037 1.00 0.00 H new ATOM 1386 N VAL A 91 -12.701 -0.549 5.986 1.00 0.00 N ATOM 1387 CA VAL A 91 -12.870 -1.703 6.854 1.00 0.00 C ATOM 1388 C VAL A 91 -12.872 -2.994 6.048 1.00 0.00 C ATOM 1389 O VAL A 91 -12.275 -3.990 6.458 1.00 0.00 O ATOM 1390 CB VAL A 91 -14.145 -1.624 7.711 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -14.079 -2.670 8.809 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -14.313 -0.232 8.306 1.00 0.00 C ATOM 0 H VAL A 91 -13.501 0.082 5.950 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.018 -1.699 7.534 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.011 -1.821 7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.982 -2.616 9.418 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -14.001 -3.661 8.363 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.207 -2.485 9.436 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -15.221 -0.201 8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.453 0.001 8.934 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.385 0.501 7.502 1.00 0.00 H new ATOM 1402 N SER A 92 -13.519 -2.970 4.887 1.00 0.00 N ATOM 1403 CA SER A 92 -13.555 -4.141 4.021 1.00 0.00 C ATOM 1404 C SER A 92 -12.145 -4.482 3.550 1.00 0.00 C ATOM 1405 O SER A 92 -11.883 -5.587 3.072 1.00 0.00 O ATOM 1406 CB SER A 92 -14.463 -3.894 2.817 1.00 0.00 C ATOM 1407 OG SER A 92 -15.751 -3.473 3.229 1.00 0.00 O ATOM 0 H SER A 92 -14.022 -2.159 4.527 1.00 0.00 H new ATOM 0 HA SER A 92 -13.957 -4.980 4.589 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.018 -3.137 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.547 -4.807 2.227 1.00 0.00 H new ATOM 0 HG SER A 92 -16.313 -3.320 2.441 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.237 -3.522 3.698 1.00 0.00 N ATOM 1414 CA ALA A 93 -9.854 -3.703 3.308 1.00 0.00 C ATOM 1415 C ALA A 93 -9.109 -4.565 4.318 1.00 0.00 C ATOM 1416 O ALA A 93 -8.502 -5.575 3.975 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.189 -2.346 3.164 1.00 0.00 C ATOM 0 H ALA A 93 -11.444 -2.603 4.090 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.822 -4.221 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.148 -2.480 2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.709 -1.765 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.232 -1.817 4.116 1.00 0.00 H new ATOM 1423 N TYR A 94 -9.153 -4.147 5.569 1.00 0.00 N ATOM 1424 CA TYR A 94 -8.472 -4.867 6.645 1.00 0.00 C ATOM 1425 C TYR A 94 -8.946 -6.307 6.731 1.00 0.00 C ATOM 1426 O TYR A 94 -8.179 -7.211 7.060 1.00 0.00 O ATOM 1427 CB TYR A 94 -8.700 -4.180 7.999 1.00 0.00 C ATOM 1428 CG TYR A 94 -8.779 -2.675 7.927 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -7.725 -1.931 7.420 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -9.910 -2.000 8.368 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -7.793 -0.555 7.353 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -9.986 -0.622 8.305 1.00 0.00 C ATOM 1433 CZ TYR A 94 -8.924 0.097 7.797 1.00 0.00 C ATOM 1434 OH TYR A 94 -8.995 1.469 7.732 1.00 0.00 O ATOM 0 H TYR A 94 -9.653 -3.311 5.872 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.407 -4.857 6.412 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -9.624 -4.560 8.435 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.891 -4.458 8.675 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.836 -2.437 7.072 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -10.743 -2.561 8.766 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.963 0.010 6.954 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -10.872 -0.111 8.652 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.118 1.831 7.486 1.00 0.00 H new ATOM 1444 N GLN A 95 -10.219 -6.507 6.445 1.00 0.00 N ATOM 1445 CA GLN A 95 -10.814 -7.837 6.502 1.00 0.00 C ATOM 1446 C GLN A 95 -10.429 -8.664 5.280 1.00 0.00 C ATOM 1447 O GLN A 95 -10.237 -9.874 5.377 1.00 0.00 O ATOM 1448 CB GLN A 95 -12.335 -7.737 6.616 1.00 0.00 C ATOM 1449 CG GLN A 95 -13.004 -7.175 5.377 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.264 -8.232 4.323 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.037 -9.421 4.551 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.742 -7.805 3.160 1.00 0.00 N ATOM 0 H GLN A 95 -10.865 -5.767 6.170 1.00 0.00 H new ATOM 0 HA GLN A 95 -10.427 -8.340 7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.741 -8.728 6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.586 -7.108 7.470 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.948 -6.709 5.659 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.375 -6.392 4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.915 -6.811 3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.936 -8.472 2.413 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.312 -8.006 4.131 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.947 -8.694 2.903 1.00 0.00 C ATOM 1463 C GLN A 96 -8.452 -8.985 2.861 1.00 0.00 C ATOM 1464 O GLN A 96 -8.009 -9.834 2.095 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.350 -7.877 1.673 1.00 0.00 C ATOM 1466 CG GLN A 96 -9.608 -6.558 1.537 1.00 0.00 C ATOM 1467 CD GLN A 96 -8.470 -6.618 0.536 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -8.232 -7.647 -0.095 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -7.759 -5.507 0.389 1.00 0.00 N ATOM 0 H GLN A 96 -10.464 -7.003 4.027 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.488 -9.640 2.888 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.174 -8.475 0.779 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.421 -7.677 1.717 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.311 -5.782 1.234 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.213 -6.268 2.511 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.992 -4.677 0.933 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.979 -5.484 -0.268 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.679 -8.280 3.686 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.243 -8.490 3.714 1.00 0.00 C ATOM 1480 C GLY A 97 -5.465 -7.225 4.027 1.00 0.00 C ATOM 1481 O GLY A 97 -4.362 -7.290 4.573 1.00 0.00 O ATOM 0 H GLY A 97 -8.022 -7.570 4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.007 -9.249 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.919 -8.880 2.749 1.00 0.00 H new ATOM 1485 N ALA A 98 -6.037 -6.073 3.681 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.388 -4.783 3.924 1.00 0.00 C ATOM 1487 C ALA A 98 -4.731 -4.741 5.303 1.00 0.00 C ATOM 1488 O ALA A 98 -5.160 -5.441 6.219 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.396 -3.654 3.783 1.00 0.00 C ATOM 0 H ALA A 98 -6.950 -6.005 3.231 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.604 -4.655 3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.902 -2.700 3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.811 -3.660 2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.199 -3.791 4.507 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.684 -3.928 5.445 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.981 -3.823 6.715 1.00 0.00 C ATOM 1497 C PHE A 99 -3.645 -2.807 7.641 1.00 0.00 C ATOM 1498 O PHE A 99 -3.970 -3.127 8.785 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.510 -3.439 6.500 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.726 -3.344 7.782 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.534 -4.464 8.574 1.00 0.00 C ATOM 1502 CD2 PHE A 99 -0.191 -2.134 8.199 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.177 -4.382 9.757 1.00 0.00 C ATOM 1504 CE2 PHE A 99 0.522 -2.046 9.381 1.00 0.00 C ATOM 1505 CZ PHE A 99 0.705 -3.172 10.161 1.00 0.00 C ATOM 0 H PHE A 99 -3.310 -3.339 4.701 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.028 -4.804 7.187 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.041 -4.176 5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.464 -2.481 5.982 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.945 -5.413 8.264 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.333 -1.251 7.594 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.319 -5.264 10.364 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.935 -1.098 9.694 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.260 -3.106 11.085 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.841 -1.583 7.146 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.464 -0.519 7.941 1.00 0.00 C ATOM 1517 C ASP A 100 -4.367 0.829 7.233 1.00 0.00 C ATOM 1518 O ASP A 100 -3.873 0.921 6.109 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.789 -0.412 9.320 1.00 0.00 C ATOM 1520 CG ASP A 100 -4.757 -0.016 10.419 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -5.647 -0.827 10.750 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -4.623 1.106 10.951 1.00 0.00 O ATOM 0 H ASP A 100 -3.579 -1.303 6.201 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.516 -0.777 8.066 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -3.333 -1.369 9.571 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.984 0.321 9.270 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.835 1.873 7.912 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.798 3.225 7.371 1.00 0.00 C ATOM 1529 C TYR A 101 -3.821 4.085 8.162 1.00 0.00 C ATOM 1530 O TYR A 101 -3.574 3.832 9.342 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.191 3.850 7.400 1.00 0.00 C ATOM 1532 CG TYR A 101 -6.923 3.726 6.089 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.425 2.502 5.671 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.106 4.829 5.265 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -8.094 2.378 4.469 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.775 4.714 4.062 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.267 3.488 3.667 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.928 3.372 2.465 1.00 0.00 O ATOM 0 H TYR A 101 -5.246 1.806 8.843 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.461 3.173 6.336 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.780 3.374 8.184 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.104 4.904 7.662 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.290 1.632 6.296 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.720 5.791 5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.479 1.418 4.158 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.912 5.581 3.433 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.416 3.829 1.765 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.265 5.094 7.509 1.00 0.00 N ATOM 1549 CA LEU A 102 -2.308 5.982 8.154 1.00 0.00 C ATOM 1550 C LEU A 102 -2.948 7.333 8.488 1.00 0.00 C ATOM 1551 O LEU A 102 -3.724 7.871 7.698 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.095 6.169 7.246 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.019 7.119 7.767 1.00 0.00 C ATOM 1554 CD1 LEU A 102 0.996 6.370 8.617 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.668 7.804 6.604 1.00 0.00 C ATOM 0 H LEU A 102 -3.459 5.319 6.533 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.987 5.530 9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.640 5.194 7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.441 6.536 6.279 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.493 7.874 8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.753 7.066 8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.491 5.911 9.467 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.472 5.595 8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.435 8.481 6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.130 7.054 5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.066 8.371 6.031 1.00 0.00 H new ATOM 1567 N PRO A 103 -2.634 7.896 9.673 1.00 0.00 N ATOM 1568 CA PRO A 103 -3.190 9.185 10.115 1.00 0.00 C ATOM 1569 C PRO A 103 -2.720 10.365 9.263 1.00 0.00 C ATOM 1570 O PRO A 103 -2.203 10.184 8.162 1.00 0.00 O ATOM 1571 CB PRO A 103 -2.673 9.326 11.550 1.00 0.00 C ATOM 1572 CG PRO A 103 -1.455 8.471 11.602 1.00 0.00 C ATOM 1573 CD PRO A 103 -1.720 7.319 10.676 1.00 0.00 C ATOM 0 HA PRO A 103 -4.277 9.198 10.031 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.438 10.364 11.785 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.419 8.996 12.273 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -0.573 9.029 11.289 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.267 8.121 12.617 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.802 6.950 10.219 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -2.175 6.478 11.199 1.00 0.00 H new ATOM 1581 N LYS A 104 -2.913 11.575 9.789 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.521 12.801 9.095 1.00 0.00 C ATOM 1583 C LYS A 104 -1.105 12.699 8.516 1.00 0.00 C ATOM 1584 O LYS A 104 -0.918 12.818 7.305 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.623 14.000 10.047 1.00 0.00 C ATOM 1586 CG LYS A 104 -4.056 14.381 10.391 1.00 0.00 C ATOM 1587 CD LYS A 104 -4.110 15.350 11.564 1.00 0.00 C ATOM 1588 CE LYS A 104 -5.500 15.949 11.727 1.00 0.00 C ATOM 1589 NZ LYS A 104 -5.576 16.890 12.880 1.00 0.00 N ATOM 0 H LYS A 104 -3.342 11.732 10.701 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.207 12.945 8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.086 13.770 10.967 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.126 14.858 9.593 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.532 14.834 9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.624 13.483 10.633 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.826 14.831 12.480 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.384 16.148 11.412 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.777 16.474 10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.225 15.147 11.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.540 17.273 12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.338 16.384 13.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.903 17.670 12.736 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.085 12.472 9.368 1.00 0.00 N ATOM 1604 CA PRO A 105 1.310 12.351 8.922 1.00 0.00 C ATOM 1605 C PRO A 105 1.463 11.358 7.776 1.00 0.00 C ATOM 1606 O PRO A 105 0.565 10.563 7.518 1.00 0.00 O ATOM 1607 CB PRO A 105 2.063 11.859 10.168 1.00 0.00 C ATOM 1608 CG PRO A 105 1.013 11.488 11.161 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.200 12.306 10.823 1.00 0.00 C ATOM 0 HA PRO A 105 1.692 13.297 8.537 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.695 11.003 9.930 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.716 12.638 10.562 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.789 10.422 11.109 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.349 11.694 12.177 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.122 11.796 11.100 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.198 13.265 11.341 1.00 0.00 H new ATOM 1617 N PHE A 106 2.606 11.407 7.090 1.00 0.00 N ATOM 1618 CA PHE A 106 2.867 10.502 5.976 1.00 0.00 C ATOM 1619 C PHE A 106 4.363 10.451 5.652 1.00 0.00 C ATOM 1620 O PHE A 106 5.114 9.756 6.333 1.00 0.00 O ATOM 1621 CB PHE A 106 2.049 10.901 4.740 1.00 0.00 C ATOM 1622 CG PHE A 106 2.232 9.965 3.571 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.612 8.725 3.560 1.00 0.00 C ATOM 1624 CD2 PHE A 106 3.030 10.317 2.491 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.781 7.857 2.500 1.00 0.00 C ATOM 1626 CE2 PHE A 106 3.200 9.451 1.427 1.00 0.00 C ATOM 1627 CZ PHE A 106 2.576 8.219 1.432 1.00 0.00 C ATOM 0 H PHE A 106 3.362 12.063 7.287 1.00 0.00 H new ATOM 0 HA PHE A 106 2.554 9.502 6.275 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.993 10.933 5.008 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.332 11.909 4.436 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.988 8.434 4.392 1.00 0.00 H new ATOM 0 HD2 PHE A 106 3.523 11.278 2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.291 6.895 2.507 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.821 9.738 0.591 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.710 7.541 0.602 1.00 0.00 H new ATOM 1637 N ASP A 107 4.797 11.183 4.620 1.00 0.00 N ATOM 1638 CA ASP A 107 6.207 11.208 4.220 1.00 0.00 C ATOM 1639 C ASP A 107 6.843 9.815 4.309 1.00 0.00 C ATOM 1640 O ASP A 107 6.176 8.835 4.629 1.00 0.00 O ATOM 1641 CB ASP A 107 6.982 12.215 5.080 1.00 0.00 C ATOM 1642 CG ASP A 107 7.307 11.686 6.466 1.00 0.00 C ATOM 1643 OD1 ASP A 107 6.387 11.618 7.309 1.00 0.00 O ATOM 1644 OD2 ASP A 107 8.483 11.346 6.707 1.00 0.00 O ATOM 0 H ASP A 107 4.189 11.767 4.046 1.00 0.00 H new ATOM 0 HA ASP A 107 6.256 11.522 3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.909 12.480 4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.397 13.130 5.174 1.00 0.00 H new ATOM 1649 N ILE A 108 8.135 9.726 4.025 1.00 0.00 N ATOM 1650 CA ILE A 108 8.829 8.448 4.093 1.00 0.00 C ATOM 1651 C ILE A 108 8.925 7.954 5.531 1.00 0.00 C ATOM 1652 O ILE A 108 8.712 6.775 5.814 1.00 0.00 O ATOM 1653 CB ILE A 108 10.227 8.527 3.443 1.00 0.00 C ATOM 1654 CG1 ILE A 108 10.260 7.700 2.159 1.00 0.00 C ATOM 1655 CG2 ILE A 108 11.312 8.046 4.393 1.00 0.00 C ATOM 1656 CD1 ILE A 108 9.138 8.023 1.193 1.00 0.00 C ATOM 0 H ILE A 108 8.719 10.515 3.748 1.00 0.00 H new ATOM 0 HA ILE A 108 8.242 7.726 3.525 1.00 0.00 H new ATOM 0 HB ILE A 108 10.423 9.573 3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.215 7.861 1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.210 6.642 2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.283 8.116 3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.313 8.667 5.289 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.119 7.010 4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 108 9.229 7.396 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.178 7.834 1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.198 9.072 0.903 1.00 0.00 H new ATOM 1668 N ASP A 109 9.255 8.864 6.427 1.00 0.00 N ATOM 1669 CA ASP A 109 9.397 8.536 7.843 1.00 0.00 C ATOM 1670 C ASP A 109 8.195 7.754 8.370 1.00 0.00 C ATOM 1671 O ASP A 109 8.348 6.640 8.864 1.00 0.00 O ATOM 1672 CB ASP A 109 9.583 9.812 8.665 1.00 0.00 C ATOM 1673 CG ASP A 109 10.175 9.538 10.033 1.00 0.00 C ATOM 1674 OD1 ASP A 109 9.452 8.995 10.895 1.00 0.00 O ATOM 1675 OD2 ASP A 109 11.361 9.866 10.242 1.00 0.00 O ATOM 0 H ASP A 109 9.432 9.843 6.203 1.00 0.00 H new ATOM 0 HA ASP A 109 10.279 7.903 7.944 1.00 0.00 H new ATOM 0 HB2 ASP A 109 10.232 10.499 8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 109 8.620 10.309 8.782 1.00 0.00 H new ATOM 1680 N GLU A 110 7.003 8.343 8.273 1.00 0.00 N ATOM 1681 CA GLU A 110 5.792 7.690 8.760 1.00 0.00 C ATOM 1682 C GLU A 110 5.309 6.605 7.804 1.00 0.00 C ATOM 1683 O GLU A 110 4.672 5.639 8.224 1.00 0.00 O ATOM 1684 CB GLU A 110 4.680 8.714 9.009 1.00 0.00 C ATOM 1685 CG GLU A 110 5.037 9.743 10.065 1.00 0.00 C ATOM 1686 CD GLU A 110 4.628 9.313 11.460 1.00 0.00 C ATOM 1687 OE1 GLU A 110 3.621 8.582 11.586 1.00 0.00 O ATOM 1688 OE2 GLU A 110 5.314 9.705 12.427 1.00 0.00 O ATOM 0 H GLU A 110 6.852 9.265 7.864 1.00 0.00 H new ATOM 0 HA GLU A 110 6.044 7.211 9.706 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.452 9.227 8.075 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.774 8.190 9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.112 9.921 10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.552 10.689 9.824 1.00 0.00 H new ATOM 1695 N ALA A 111 5.621 6.757 6.523 1.00 0.00 N ATOM 1696 CA ALA A 111 5.218 5.769 5.534 1.00 0.00 C ATOM 1697 C ALA A 111 6.025 4.491 5.716 1.00 0.00 C ATOM 1698 O ALA A 111 5.468 3.425 5.980 1.00 0.00 O ATOM 1699 CB ALA A 111 5.387 6.315 4.125 1.00 0.00 C ATOM 0 H ALA A 111 6.146 7.547 6.149 1.00 0.00 H new ATOM 0 HA ALA A 111 4.162 5.541 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 111 5.080 5.559 3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.770 7.205 4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.433 6.573 3.958 1.00 0.00 H new ATOM 1705 N VAL A 112 7.345 4.611 5.600 1.00 0.00 N ATOM 1706 CA VAL A 112 8.232 3.470 5.779 1.00 0.00 C ATOM 1707 C VAL A 112 8.065 2.886 7.175 1.00 0.00 C ATOM 1708 O VAL A 112 8.231 1.686 7.391 1.00 0.00 O ATOM 1709 CB VAL A 112 9.705 3.859 5.578 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.596 2.633 5.720 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.907 4.525 4.225 1.00 0.00 C ATOM 0 H VAL A 112 7.821 5.486 5.383 1.00 0.00 H new ATOM 0 HA VAL A 112 7.960 2.729 5.027 1.00 0.00 H new ATOM 0 HB VAL A 112 9.983 4.578 6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.637 2.921 5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.472 2.207 6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.317 1.892 4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.957 4.792 4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.614 3.836 3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.295 5.425 4.167 1.00 0.00 H new ATOM 1721 N ALA A 113 7.731 3.747 8.116 1.00 0.00 N ATOM 1722 CA ALA A 113 7.526 3.325 9.492 1.00 0.00 C ATOM 1723 C ALA A 113 6.350 2.368 9.570 1.00 0.00 C ATOM 1724 O ALA A 113 6.415 1.322 10.217 1.00 0.00 O ATOM 1725 CB ALA A 113 7.267 4.529 10.375 1.00 0.00 C ATOM 0 H ALA A 113 7.595 4.745 7.955 1.00 0.00 H new ATOM 0 HA ALA A 113 8.425 2.817 9.841 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.115 4.200 11.403 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.123 5.202 10.332 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.376 5.052 10.026 1.00 0.00 H new ATOM 1731 N LEU A 114 5.268 2.751 8.904 1.00 0.00 N ATOM 1732 CA LEU A 114 4.053 1.957 8.880 1.00 0.00 C ATOM 1733 C LEU A 114 4.194 0.739 7.976 1.00 0.00 C ATOM 1734 O LEU A 114 3.476 -0.248 8.137 1.00 0.00 O ATOM 1735 CB LEU A 114 2.878 2.821 8.414 1.00 0.00 C ATOM 1736 CG LEU A 114 1.525 2.111 8.379 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.085 1.729 9.783 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.481 2.992 7.710 1.00 0.00 C ATOM 0 H LEU A 114 5.211 3.617 8.369 1.00 0.00 H new ATOM 0 HA LEU A 114 3.867 1.599 9.892 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.800 3.686 9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.098 3.199 7.416 1.00 0.00 H new ATOM 0 HG LEU A 114 1.629 1.197 7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.120 1.225 9.737 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.823 1.060 10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.996 2.628 10.394 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.477 2.472 7.693 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.379 3.923 8.268 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.792 3.213 6.689 1.00 0.00 H new ATOM 1750 N VAL A 115 5.116 0.806 7.021 1.00 0.00 N ATOM 1751 CA VAL A 115 5.324 -0.304 6.099 1.00 0.00 C ATOM 1752 C VAL A 115 6.162 -1.414 6.736 1.00 0.00 C ATOM 1753 O VAL A 115 5.860 -2.596 6.578 1.00 0.00 O ATOM 1754 CB VAL A 115 5.966 0.151 4.766 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.473 0.318 4.896 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.634 -0.834 3.655 1.00 0.00 C ATOM 0 H VAL A 115 5.726 1.609 6.866 1.00 0.00 H new ATOM 0 HA VAL A 115 4.335 -0.702 5.873 1.00 0.00 H new ATOM 0 HB VAL A 115 5.547 1.125 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.887 0.638 3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.692 1.068 5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.921 -0.633 5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.092 -0.500 2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.019 -1.820 3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.553 -0.888 3.528 1.00 0.00 H new ATOM 1766 N GLU A 116 7.212 -1.024 7.455 1.00 0.00 N ATOM 1767 CA GLU A 116 8.086 -1.991 8.112 1.00 0.00 C ATOM 1768 C GLU A 116 7.331 -2.778 9.176 1.00 0.00 C ATOM 1769 O GLU A 116 7.471 -3.998 9.276 1.00 0.00 O ATOM 1770 CB GLU A 116 9.291 -1.283 8.734 1.00 0.00 C ATOM 1771 CG GLU A 116 10.255 -0.723 7.701 1.00 0.00 C ATOM 1772 CD GLU A 116 11.519 -0.168 8.326 1.00 0.00 C ATOM 1773 OE1 GLU A 116 12.235 -0.936 9.002 1.00 0.00 O ATOM 1774 OE2 GLU A 116 11.793 1.037 8.140 1.00 0.00 O ATOM 0 H GLU A 116 7.477 -0.049 7.597 1.00 0.00 H new ATOM 0 HA GLU A 116 8.440 -2.693 7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 116 8.939 -0.471 9.370 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.824 -1.984 9.377 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.519 -1.508 6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.758 0.064 7.134 1.00 0.00 H new ATOM 1781 N ARG A 117 6.523 -2.080 9.966 1.00 0.00 N ATOM 1782 CA ARG A 117 5.744 -2.726 11.014 1.00 0.00 C ATOM 1783 C ARG A 117 4.728 -3.692 10.414 1.00 0.00 C ATOM 1784 O ARG A 117 4.290 -4.636 11.071 1.00 0.00 O ATOM 1785 CB ARG A 117 5.030 -1.685 11.874 1.00 0.00 C ATOM 1786 CG ARG A 117 3.997 -0.869 11.113 1.00 0.00 C ATOM 1787 CD ARG A 117 2.807 -0.512 11.990 1.00 0.00 C ATOM 1788 NE ARG A 117 2.875 0.866 12.468 1.00 0.00 N ATOM 1789 CZ ARG A 117 1.884 1.475 13.115 1.00 0.00 C ATOM 1790 NH1 ARG A 117 0.755 0.829 13.374 1.00 0.00 N ATOM 1791 NH2 ARG A 117 2.026 2.730 13.509 1.00 0.00 N ATOM 0 H ARG A 117 6.391 -1.071 9.901 1.00 0.00 H new ATOM 0 HA ARG A 117 6.431 -3.290 11.645 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.540 -2.189 12.707 1.00 0.00 H new ATOM 0 HB3 ARG A 117 5.771 -1.009 12.301 1.00 0.00 H new ATOM 0 HG2 ARG A 117 4.459 0.044 10.737 1.00 0.00 H new ATOM 0 HG3 ARG A 117 3.654 -1.433 10.246 1.00 0.00 H new ATOM 0 HD2 ARG A 117 1.885 -0.655 11.426 1.00 0.00 H new ATOM 0 HD3 ARG A 117 2.768 -1.190 12.842 1.00 0.00 H new ATOM 0 HE ARG A 117 3.732 1.392 12.296 1.00 0.00 H new ATOM 0 HH11 ARG A 117 0.642 -0.140 13.077 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -0.001 1.301 13.870 1.00 0.00 H new ATOM 0 HH21 ARG A 117 2.894 3.230 13.317 1.00 0.00 H new ATOM 0 HH22 ARG A 117 1.267 3.198 14.005 1.00 0.00 H new ATOM 1805 N ALA A 118 4.362 -3.448 9.162 1.00 0.00 N ATOM 1806 CA ALA A 118 3.402 -4.291 8.464 1.00 0.00 C ATOM 1807 C ALA A 118 4.014 -5.646 8.128 1.00 0.00 C ATOM 1808 O ALA A 118 3.390 -6.688 8.332 1.00 0.00 O ATOM 1809 CB ALA A 118 2.910 -3.597 7.202 1.00 0.00 C ATOM 0 H ALA A 118 4.718 -2.669 8.608 1.00 0.00 H new ATOM 0 HA ALA A 118 2.550 -4.460 9.123 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.193 -4.239 6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.429 -2.656 7.468 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.755 -3.399 6.543 1.00 0.00 H new ATOM 1815 N ILE A 119 5.241 -5.625 7.620 1.00 0.00 N ATOM 1816 CA ILE A 119 5.937 -6.852 7.265 1.00 0.00 C ATOM 1817 C ILE A 119 6.163 -7.718 8.496 1.00 0.00 C ATOM 1818 O ILE A 119 6.177 -8.947 8.418 1.00 0.00 O ATOM 1819 CB ILE A 119 7.291 -6.548 6.596 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.098 -5.598 5.416 1.00 0.00 C ATOM 1821 CG2 ILE A 119 7.968 -7.829 6.141 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.216 -4.594 5.278 1.00 0.00 C ATOM 0 H ILE A 119 5.772 -4.772 7.446 1.00 0.00 H new ATOM 0 HA ILE A 119 5.309 -7.392 6.557 1.00 0.00 H new ATOM 0 HB ILE A 119 7.935 -6.066 7.331 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.024 -6.179 4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.153 -5.067 5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.922 -7.589 5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.139 -8.476 7.002 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.329 -8.343 5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.021 -3.948 4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.276 -3.989 6.183 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.160 -5.119 5.129 1.00 0.00 H new ATOM 1834 N SER A 120 6.335 -7.059 9.632 1.00 0.00 N ATOM 1835 CA SER A 120 6.558 -7.746 10.896 1.00 0.00 C ATOM 1836 C SER A 120 5.284 -8.437 11.371 1.00 0.00 C ATOM 1837 O SER A 120 5.278 -9.641 11.629 1.00 0.00 O ATOM 1838 CB SER A 120 7.037 -6.754 11.957 1.00 0.00 C ATOM 1839 OG SER A 120 8.413 -6.458 11.796 1.00 0.00 O ATOM 0 H SER A 120 6.324 -6.042 9.704 1.00 0.00 H new ATOM 0 HA SER A 120 7.325 -8.504 10.740 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.454 -5.835 11.890 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.865 -7.168 12.950 1.00 0.00 H new ATOM 0 HG SER A 120 8.693 -5.821 12.486 1.00 0.00 H new ATOM 1845 N HIS A 121 4.208 -7.666 11.480 1.00 0.00 N ATOM 1846 CA HIS A 121 2.926 -8.201 11.923 1.00 0.00 C ATOM 1847 C HIS A 121 2.447 -9.307 10.991 1.00 0.00 C ATOM 1848 O HIS A 121 1.706 -10.203 11.397 1.00 0.00 O ATOM 1849 CB HIS A 121 1.884 -7.084 11.989 1.00 0.00 C ATOM 1850 CG HIS A 121 2.003 -6.221 13.208 1.00 0.00 C ATOM 1851 ND1 HIS A 121 3.215 -5.838 13.745 1.00 0.00 N ATOM 1852 CD2 HIS A 121 1.053 -5.662 13.997 1.00 0.00 C ATOM 1853 CE1 HIS A 121 3.005 -5.084 14.809 1.00 0.00 C ATOM 1854 NE2 HIS A 121 1.703 -4.959 14.982 1.00 0.00 N ATOM 0 H HIS A 121 4.198 -6.668 11.268 1.00 0.00 H new ATOM 0 HA HIS A 121 3.059 -8.625 12.918 1.00 0.00 H new ATOM 0 HB2 HIS A 121 1.978 -6.459 11.101 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.888 -7.526 11.963 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -0.016 -5.753 13.874 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.770 -4.644 15.432 1.00 0.00 H new ATOM 0 HE2 HIS A 121 1.252 -4.427 15.726 1.00 0.00 H new