USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 944 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 35 ASN : amide:sc= -4.57! C(o=-8.2!,f=-15!) USER MOD Set 1.2: A 38 GLN :FLIP amide:sc= -3.63! C(o=-13!,f=-8.2!) USER MOD Set 2.1: A 20 ASN : amide:sc= -1.42 K(o=-2.7,f=-3.5!) USER MOD Set 2.2: A 24 ASN :FLIP amide:sc= -1.29 F(o=-5.4!,f=-2.7) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.744 K(o=-0.74,f=-3.9!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 29 GLN : amide:sc= -0.0639 X(o=-0.064,f=-0.055) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0755 F(o=-1,f=-0.075) USER MOD Single : A 44 THR OG1 : rot 67:sc= 0.253 USER MOD Single : A 45 LYS NZ :NH3+ -143:sc= -0.312 (180deg=-1.29!) USER MOD Single : A 55 MET CE :methyl 171:sc= -0.435 (180deg=-0.532) USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= -1.5 (180deg=-1.84) USER MOD Single : A 60 MET CE :methyl 162:sc= -0.32 (180deg=-0.984) USER MOD Single : A 67 LYS NZ :NH3+ -160:sc= -0.0118 (180deg=-0.196) USER MOD Single : A 69 MET CE :methyl -142:sc= -6.15! (180deg=-8.96!) USER MOD Single : A 70 LYS NZ :NH3+ -132:sc= -0.324 (180deg=-1.41) USER MOD Single : A 75 ASN : amide:sc= -1.17! C(o=-1.2!,f=-3.5!) USER MOD Single : A 81 MET CE :methyl -163:sc= -2! (180deg=-2.6!) USER MOD Single : A 82 THR OG1 : rot -49:sc= -0.442 USER MOD Single : A 91 GLN : amide:sc= -0.36 K(o=-0.36,f=-3.6!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= -29.4! C(o=-29!,f=-34!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 2.739 -12.050 -1.633 1.00 0.00 N ATOM 52 CA GLU A 4 2.012 -10.900 -2.241 1.00 0.00 C ATOM 53 C GLU A 4 2.779 -9.606 -1.962 1.00 0.00 C ATOM 54 O GLU A 4 2.481 -8.885 -1.030 1.00 0.00 O ATOM 55 CB GLU A 4 0.612 -10.805 -1.633 1.00 0.00 C ATOM 56 CG GLU A 4 -0.435 -11.064 -2.718 1.00 0.00 C ATOM 57 CD GLU A 4 -0.639 -12.570 -2.884 1.00 0.00 C ATOM 58 OE1 GLU A 4 -0.677 -13.258 -1.876 1.00 0.00 O ATOM 59 OE2 GLU A 4 -0.753 -13.013 -4.015 1.00 0.00 O ATOM 0 HA GLU A 4 1.932 -11.048 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.504 -11.532 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.461 -9.819 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.377 -10.586 -2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.112 -10.624 -3.662 1.00 0.00 H new ATOM 66 N LYS A 5 3.765 -9.304 -2.763 1.00 0.00 N ATOM 67 CA LYS A 5 4.549 -8.057 -2.543 1.00 0.00 C ATOM 68 C LYS A 5 3.972 -6.933 -3.406 1.00 0.00 C ATOM 69 O LYS A 5 3.608 -7.138 -4.547 1.00 0.00 O ATOM 70 CB LYS A 5 6.009 -8.299 -2.930 1.00 0.00 C ATOM 71 CG LYS A 5 6.586 -9.425 -2.071 1.00 0.00 C ATOM 72 CD LYS A 5 7.325 -10.423 -2.966 1.00 0.00 C ATOM 73 CE LYS A 5 8.831 -10.298 -2.736 1.00 0.00 C ATOM 74 NZ LYS A 5 9.455 -11.650 -2.782 1.00 0.00 N ATOM 0 H LYS A 5 4.061 -9.868 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 5 4.494 -7.773 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.077 -8.561 -3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.589 -7.387 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.267 -9.015 -1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.786 -9.929 -1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.996 -11.438 -2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.089 -10.232 -4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.274 -9.655 -3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.025 -9.829 -1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.480 -11.565 -2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.040 -12.249 -2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.282 -12.081 -3.712 1.00 0.00 H new ATOM 88 N ILE A 6 3.884 -5.746 -2.870 1.00 0.00 N ATOM 89 CA ILE A 6 3.329 -4.611 -3.660 1.00 0.00 C ATOM 90 C ILE A 6 3.971 -3.302 -3.194 1.00 0.00 C ATOM 91 O ILE A 6 4.403 -3.180 -2.066 1.00 0.00 O ATOM 92 CB ILE A 6 1.816 -4.540 -3.453 1.00 0.00 C ATOM 93 CG1 ILE A 6 1.171 -5.833 -3.956 1.00 0.00 C ATOM 94 CG2 ILE A 6 1.248 -3.352 -4.231 1.00 0.00 C ATOM 95 CD1 ILE A 6 -0.327 -5.813 -3.645 1.00 0.00 C ATOM 0 H ILE A 6 4.172 -5.514 -1.920 1.00 0.00 H new ATOM 0 HA ILE A 6 3.545 -4.764 -4.718 1.00 0.00 H new ATOM 0 HB ILE A 6 1.601 -4.415 -2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.329 -5.936 -5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.640 -6.694 -3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.169 -3.302 -4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.706 -2.430 -3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.463 -3.476 -5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.785 -6.735 -4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.474 -5.730 -2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.790 -4.960 -4.141 1.00 0.00 H new ATOM 107 N LEU A 7 4.032 -2.321 -4.053 1.00 0.00 N ATOM 108 CA LEU A 7 4.643 -1.022 -3.656 1.00 0.00 C ATOM 109 C LEU A 7 3.773 0.128 -4.169 1.00 0.00 C ATOM 110 O LEU A 7 3.107 0.012 -5.178 1.00 0.00 O ATOM 111 CB LEU A 7 6.046 -0.909 -4.259 1.00 0.00 C ATOM 112 CG LEU A 7 6.759 0.308 -3.668 1.00 0.00 C ATOM 113 CD1 LEU A 7 8.017 -0.145 -2.926 1.00 0.00 C ATOM 114 CD2 LEU A 7 7.156 1.262 -4.795 1.00 0.00 C ATOM 0 H LEU A 7 3.685 -2.363 -5.011 1.00 0.00 H new ATOM 0 HA LEU A 7 4.711 -0.971 -2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.617 -1.814 -4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.981 -0.815 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 7 6.090 0.817 -2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.524 0.723 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.740 -0.828 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.685 -0.654 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.664 2.130 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.825 0.750 -5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.263 1.588 -5.328 1.00 0.00 H new ATOM 126 N ILE A 8 3.773 1.237 -3.481 1.00 0.00 N ATOM 127 CA ILE A 8 2.945 2.393 -3.929 1.00 0.00 C ATOM 128 C ILE A 8 3.812 3.653 -3.972 1.00 0.00 C ATOM 129 O ILE A 8 4.392 4.051 -2.982 1.00 0.00 O ATOM 130 CB ILE A 8 1.790 2.602 -2.948 1.00 0.00 C ATOM 131 CG1 ILE A 8 1.232 1.242 -2.521 1.00 0.00 C ATOM 132 CG2 ILE A 8 0.685 3.414 -3.626 1.00 0.00 C ATOM 133 CD1 ILE A 8 0.164 1.444 -1.445 1.00 0.00 C ATOM 0 H ILE A 8 4.310 1.393 -2.628 1.00 0.00 H new ATOM 0 HA ILE A 8 2.546 2.192 -4.923 1.00 0.00 H new ATOM 0 HB ILE A 8 2.151 3.140 -2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.804 0.726 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.035 0.612 -2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.138 3.563 -2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.081 4.382 -3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.324 2.876 -4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.234 0.476 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.606 1.942 -0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.643 2.058 -1.844 1.00 0.00 H new ATOM 145 N VAL A 9 3.905 4.284 -5.111 1.00 0.00 N ATOM 146 CA VAL A 9 4.735 5.517 -5.210 1.00 0.00 C ATOM 147 C VAL A 9 3.824 6.742 -5.303 1.00 0.00 C ATOM 148 O VAL A 9 3.001 6.851 -6.189 1.00 0.00 O ATOM 149 CB VAL A 9 5.616 5.441 -6.459 1.00 0.00 C ATOM 150 CG1 VAL A 9 6.753 6.459 -6.344 1.00 0.00 C ATOM 151 CG2 VAL A 9 6.203 4.034 -6.583 1.00 0.00 C ATOM 0 H VAL A 9 3.443 3.999 -5.975 1.00 0.00 H new ATOM 0 HA VAL A 9 5.365 5.600 -4.325 1.00 0.00 H new ATOM 0 HB VAL A 9 5.016 5.664 -7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.381 6.405 -7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.336 7.462 -6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.353 6.236 -5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.831 3.979 -7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.803 3.811 -5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.394 3.308 -6.664 1.00 0.00 H new ATOM 161 N ASP A 10 3.965 7.666 -4.393 1.00 0.00 N ATOM 162 CA ASP A 10 3.110 8.885 -4.427 1.00 0.00 C ATOM 163 C ASP A 10 3.915 10.085 -3.923 1.00 0.00 C ATOM 164 O ASP A 10 5.122 10.130 -4.048 1.00 0.00 O ATOM 165 CB ASP A 10 1.889 8.677 -3.529 1.00 0.00 C ATOM 166 CG ASP A 10 0.653 9.285 -4.196 1.00 0.00 C ATOM 167 OD1 ASP A 10 0.133 8.666 -5.111 1.00 0.00 O ATOM 168 OD2 ASP A 10 0.249 10.359 -3.783 1.00 0.00 O ATOM 0 H ASP A 10 4.637 7.629 -3.626 1.00 0.00 H new ATOM 0 HA ASP A 10 2.781 9.070 -5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.733 7.613 -3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.056 9.142 -2.557 1.00 0.00 H new ATOM 173 N ASP A 11 3.256 11.058 -3.355 1.00 0.00 N ATOM 174 CA ASP A 11 3.986 12.252 -2.845 1.00 0.00 C ATOM 175 C ASP A 11 3.100 13.004 -1.849 1.00 0.00 C ATOM 176 O ASP A 11 3.535 13.382 -0.779 1.00 0.00 O ATOM 177 CB ASP A 11 4.333 13.175 -4.014 1.00 0.00 C ATOM 178 CG ASP A 11 3.045 13.651 -4.689 1.00 0.00 C ATOM 179 OD1 ASP A 11 2.516 12.910 -5.501 1.00 0.00 O ATOM 180 OD2 ASP A 11 2.611 14.749 -4.383 1.00 0.00 O ATOM 0 H ASP A 11 2.245 11.077 -3.222 1.00 0.00 H new ATOM 0 HA ASP A 11 4.902 11.933 -2.349 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.907 14.030 -3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.960 12.648 -4.733 1.00 0.00 H new ATOM 185 N GLN A 12 1.862 13.224 -2.193 1.00 0.00 N ATOM 186 CA GLN A 12 0.950 13.952 -1.267 1.00 0.00 C ATOM 187 C GLN A 12 0.387 12.975 -0.232 1.00 0.00 C ATOM 188 O GLN A 12 -0.320 12.043 -0.563 1.00 0.00 O ATOM 189 CB GLN A 12 -0.202 14.568 -2.065 1.00 0.00 C ATOM 190 CG GLN A 12 -0.923 15.605 -1.203 1.00 0.00 C ATOM 191 CD GLN A 12 -0.030 16.836 -1.029 1.00 0.00 C ATOM 192 OE1 GLN A 12 1.086 16.863 -1.510 1.00 0.00 O ATOM 193 NE2 GLN A 12 -0.476 17.862 -0.357 1.00 0.00 N ATOM 0 H GLN A 12 1.442 12.931 -3.075 1.00 0.00 H new ATOM 0 HA GLN A 12 1.504 14.741 -0.759 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.180 15.036 -2.972 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.899 13.790 -2.376 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.866 15.890 -1.671 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.166 15.179 -0.230 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.412 17.839 0.047 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.112 18.687 -0.235 1.00 0.00 H new ATOM 202 N TYR A 13 0.695 13.180 1.020 1.00 0.00 N ATOM 203 CA TYR A 13 0.178 12.263 2.075 1.00 0.00 C ATOM 204 C TYR A 13 -1.301 11.969 1.814 1.00 0.00 C ATOM 205 O TYR A 13 -2.046 12.825 1.380 1.00 0.00 O ATOM 206 CB TYR A 13 0.334 12.926 3.445 1.00 0.00 C ATOM 207 CG TYR A 13 -0.323 12.067 4.499 1.00 0.00 C ATOM 208 CD1 TYR A 13 -1.718 12.020 4.595 1.00 0.00 C ATOM 209 CD2 TYR A 13 0.465 11.319 5.382 1.00 0.00 C ATOM 210 CE1 TYR A 13 -2.327 11.224 5.573 1.00 0.00 C ATOM 211 CE2 TYR A 13 -0.143 10.523 6.360 1.00 0.00 C ATOM 212 CZ TYR A 13 -1.538 10.475 6.456 1.00 0.00 C ATOM 213 OH TYR A 13 -2.138 9.691 7.420 1.00 0.00 O ATOM 0 H TYR A 13 1.282 13.943 1.358 1.00 0.00 H new ATOM 0 HA TYR A 13 0.742 11.330 2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.390 13.061 3.677 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.119 13.917 3.435 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.326 12.598 3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.542 11.356 5.309 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.404 11.187 5.647 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.465 9.946 7.041 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.449 9.237 7.948 1.00 0.00 H new ATOM 223 N GLY A 14 -1.731 10.766 2.077 1.00 0.00 N ATOM 224 CA GLY A 14 -3.162 10.418 1.843 1.00 0.00 C ATOM 225 C GLY A 14 -3.246 9.166 0.968 1.00 0.00 C ATOM 226 O GLY A 14 -3.990 8.249 1.252 1.00 0.00 O ATOM 0 H GLY A 14 -1.154 10.009 2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.665 10.244 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.675 11.249 1.358 1.00 0.00 H new ATOM 230 N ILE A 15 -2.488 9.120 -0.093 1.00 0.00 N ATOM 231 CA ILE A 15 -2.525 7.925 -0.983 1.00 0.00 C ATOM 232 C ILE A 15 -1.582 6.853 -0.432 1.00 0.00 C ATOM 233 O ILE A 15 -1.928 5.692 -0.348 1.00 0.00 O ATOM 234 CB ILE A 15 -2.081 8.326 -2.391 1.00 0.00 C ATOM 235 CG1 ILE A 15 -3.197 9.127 -3.066 1.00 0.00 C ATOM 236 CG2 ILE A 15 -1.787 7.071 -3.217 1.00 0.00 C ATOM 237 CD1 ILE A 15 -2.677 10.517 -3.437 1.00 0.00 C ATOM 0 H ILE A 15 -1.845 9.857 -0.382 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.540 7.529 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.179 8.935 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.543 8.607 -3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.052 9.214 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.471 7.361 -4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.993 6.498 -2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.687 6.460 -3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.472 11.087 -3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.352 11.037 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.835 10.420 -4.123 1.00 0.00 H new ATOM 249 N ARG A 16 -0.394 7.235 -0.054 1.00 0.00 N ATOM 250 CA ARG A 16 0.570 6.239 0.492 1.00 0.00 C ATOM 251 C ARG A 16 -0.043 5.557 1.716 1.00 0.00 C ATOM 252 O ARG A 16 0.252 4.418 2.018 1.00 0.00 O ATOM 253 CB ARG A 16 1.862 6.950 0.898 1.00 0.00 C ATOM 254 CG ARG A 16 2.930 6.720 -0.174 1.00 0.00 C ATOM 255 CD ARG A 16 3.458 8.069 -0.667 1.00 0.00 C ATOM 256 NE ARG A 16 4.672 8.441 0.113 1.00 0.00 N ATOM 257 CZ ARG A 16 5.088 9.679 0.129 1.00 0.00 C ATOM 258 NH1 ARG A 16 4.443 10.598 -0.540 1.00 0.00 N ATOM 259 NH2 ARG A 16 6.151 10.000 0.814 1.00 0.00 N ATOM 0 H ARG A 16 -0.049 8.194 -0.099 1.00 0.00 H new ATOM 0 HA ARG A 16 0.791 5.491 -0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.679 8.017 1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.210 6.573 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.747 6.125 0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.509 6.156 -1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.698 8.012 -1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.691 8.835 -0.554 1.00 0.00 H new ATOM 0 HE ARG A 16 5.179 7.727 0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.612 10.349 -1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.771 11.564 -0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.656 9.284 1.336 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.477 10.967 0.827 1.00 0.00 H new ATOM 273 N ILE A 17 -0.894 6.247 2.425 1.00 0.00 N ATOM 274 CA ILE A 17 -1.524 5.640 3.632 1.00 0.00 C ATOM 275 C ILE A 17 -2.828 4.944 3.237 1.00 0.00 C ATOM 276 O ILE A 17 -2.992 3.756 3.431 1.00 0.00 O ATOM 277 CB ILE A 17 -1.824 6.737 4.655 1.00 0.00 C ATOM 278 CG1 ILE A 17 -0.733 7.808 4.588 1.00 0.00 C ATOM 279 CG2 ILE A 17 -1.855 6.131 6.060 1.00 0.00 C ATOM 280 CD1 ILE A 17 0.642 7.143 4.668 1.00 0.00 C ATOM 0 H ILE A 17 -1.180 7.204 2.221 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.842 4.910 4.067 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.791 7.187 4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.821 8.374 3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.854 8.517 5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.069 6.913 6.789 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.631 5.367 6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.888 5.681 6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.419 7.906 4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.728 6.596 5.607 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.761 6.452 3.834 1.00 0.00 H new ATOM 292 N LEU A 18 -3.759 5.675 2.687 1.00 0.00 N ATOM 293 CA LEU A 18 -5.053 5.056 2.283 1.00 0.00 C ATOM 294 C LEU A 18 -4.790 3.756 1.520 1.00 0.00 C ATOM 295 O LEU A 18 -5.243 2.698 1.905 1.00 0.00 O ATOM 296 CB LEU A 18 -5.824 6.026 1.386 1.00 0.00 C ATOM 297 CG LEU A 18 -6.302 7.219 2.215 1.00 0.00 C ATOM 298 CD1 LEU A 18 -6.955 8.253 1.295 1.00 0.00 C ATOM 299 CD2 LEU A 18 -7.324 6.742 3.250 1.00 0.00 C ATOM 0 H LEU A 18 -3.679 6.675 2.500 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.640 4.837 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.187 6.368 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.676 5.520 0.933 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.451 7.672 2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.295 9.103 1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.229 8.593 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.806 7.801 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.666 7.591 3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.174 6.289 2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.861 6.005 3.906 1.00 0.00 H new ATOM 311 N LEU A 19 -4.066 3.827 0.436 1.00 0.00 N ATOM 312 CA LEU A 19 -3.780 2.594 -0.350 1.00 0.00 C ATOM 313 C LEU A 19 -3.143 1.540 0.558 1.00 0.00 C ATOM 314 O LEU A 19 -3.335 0.354 0.379 1.00 0.00 O ATOM 315 CB LEU A 19 -2.820 2.930 -1.493 1.00 0.00 C ATOM 316 CG LEU A 19 -3.619 3.394 -2.710 1.00 0.00 C ATOM 317 CD1 LEU A 19 -4.039 4.853 -2.522 1.00 0.00 C ATOM 318 CD2 LEU A 19 -2.752 3.272 -3.966 1.00 0.00 C ATOM 0 H LEU A 19 -3.661 4.685 0.061 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.711 2.202 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.126 3.710 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.222 2.055 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.508 2.772 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.609 5.182 -3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.657 4.942 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.151 5.476 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.321 3.603 -4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.863 3.894 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.453 2.233 -4.102 1.00 0.00 H new ATOM 330 N ASN A 20 -2.382 1.963 1.529 1.00 0.00 N ATOM 331 CA ASN A 20 -1.730 0.985 2.445 1.00 0.00 C ATOM 332 C ASN A 20 -2.797 0.249 3.259 1.00 0.00 C ATOM 333 O ASN A 20 -3.044 -0.924 3.059 1.00 0.00 O ATOM 334 CB ASN A 20 -0.788 1.729 3.394 1.00 0.00 C ATOM 335 CG ASN A 20 -0.299 0.771 4.483 1.00 0.00 C ATOM 336 OD1 ASN A 20 -0.146 -0.410 4.245 1.00 0.00 O ATOM 337 ND2 ASN A 20 -0.046 1.234 5.677 1.00 0.00 N ATOM 0 H ASN A 20 -2.183 2.943 1.728 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.163 0.262 1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.061 2.131 2.840 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.304 2.576 3.845 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.280 0.604 6.410 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.174 2.226 5.877 1.00 0.00 H new ATOM 344 N GLU A 21 -3.428 0.925 4.180 1.00 0.00 N ATOM 345 CA GLU A 21 -4.475 0.264 5.009 1.00 0.00 C ATOM 346 C GLU A 21 -5.367 -0.605 4.119 1.00 0.00 C ATOM 347 O GLU A 21 -5.752 -1.697 4.487 1.00 0.00 O ATOM 348 CB GLU A 21 -5.328 1.330 5.699 1.00 0.00 C ATOM 349 CG GLU A 21 -5.022 1.338 7.197 1.00 0.00 C ATOM 350 CD GLU A 21 -6.012 0.425 7.926 1.00 0.00 C ATOM 351 OE1 GLU A 21 -6.568 -0.447 7.280 1.00 0.00 O ATOM 352 OE2 GLU A 21 -6.195 0.615 9.116 1.00 0.00 O ATOM 0 H GLU A 21 -3.263 1.908 4.394 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.996 -0.363 5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.121 2.310 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.386 1.127 5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.001 0.998 7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.092 2.353 7.588 1.00 0.00 H new ATOM 359 N VAL A 22 -5.699 -0.129 2.951 1.00 0.00 N ATOM 360 CA VAL A 22 -6.568 -0.928 2.040 1.00 0.00 C ATOM 361 C VAL A 22 -5.911 -2.281 1.764 1.00 0.00 C ATOM 362 O VAL A 22 -6.476 -3.323 2.031 1.00 0.00 O ATOM 363 CB VAL A 22 -6.755 -0.173 0.723 1.00 0.00 C ATOM 364 CG1 VAL A 22 -7.652 -0.989 -0.210 1.00 0.00 C ATOM 365 CG2 VAL A 22 -7.409 1.182 1.002 1.00 0.00 C ATOM 0 H VAL A 22 -5.407 0.778 2.587 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.539 -1.086 2.510 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.785 -0.019 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.785 -0.451 -1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.188 -1.955 -0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.623 -1.143 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.543 1.721 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.380 1.027 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.771 1.764 1.667 1.00 0.00 H new ATOM 375 N PHE A 23 -4.720 -2.276 1.229 1.00 0.00 N ATOM 376 CA PHE A 23 -4.028 -3.562 0.935 1.00 0.00 C ATOM 377 C PHE A 23 -3.486 -4.163 2.234 1.00 0.00 C ATOM 378 O PHE A 23 -2.871 -5.210 2.235 1.00 0.00 O ATOM 379 CB PHE A 23 -2.871 -3.309 -0.032 1.00 0.00 C ATOM 380 CG PHE A 23 -3.418 -2.894 -1.376 1.00 0.00 C ATOM 381 CD1 PHE A 23 -4.342 -3.711 -2.037 1.00 0.00 C ATOM 382 CD2 PHE A 23 -3.003 -1.691 -1.961 1.00 0.00 C ATOM 383 CE1 PHE A 23 -4.850 -3.327 -3.285 1.00 0.00 C ATOM 384 CE2 PHE A 23 -3.511 -1.307 -3.207 1.00 0.00 C ATOM 385 CZ PHE A 23 -4.435 -2.124 -3.869 1.00 0.00 C ATOM 0 H PHE A 23 -4.197 -1.436 0.983 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.735 -4.258 0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.217 -2.531 0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.267 -4.210 -0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.664 -4.638 -1.585 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.291 -1.060 -1.450 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.561 -3.959 -3.796 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.190 -0.380 -3.658 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.828 -1.826 -4.830 1.00 0.00 H new ATOM 395 N ASN A 24 -3.707 -3.510 3.343 1.00 0.00 N ATOM 396 CA ASN A 24 -3.203 -4.047 4.637 1.00 0.00 C ATOM 397 C ASN A 24 -4.254 -4.975 5.250 1.00 0.00 C ATOM 398 O ASN A 24 -3.935 -6.001 5.818 1.00 0.00 O ATOM 399 CB ASN A 24 -2.925 -2.888 5.598 1.00 0.00 C ATOM 400 CG ASN A 24 -1.425 -2.814 5.890 1.00 0.00 C ATOM 401 OD1 ASN A 24 -0.583 -2.716 4.898 1.00 0.00 O flip ATOM 402 ND2 ASN A 24 -1.015 -2.846 7.033 1.00 0.00 N flip ATOM 0 H ASN A 24 -4.215 -2.628 3.408 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.283 -4.605 4.463 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.268 -1.950 5.162 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.480 -3.030 6.525 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.673 -2.923 7.809 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.013 -2.796 7.217 1.00 0.00 H new ATOM 409 N LYS A 25 -5.506 -4.625 5.138 1.00 0.00 N ATOM 410 CA LYS A 25 -6.575 -5.488 5.714 1.00 0.00 C ATOM 411 C LYS A 25 -6.952 -6.573 4.704 1.00 0.00 C ATOM 412 O LYS A 25 -7.106 -7.729 5.047 1.00 0.00 O ATOM 413 CB LYS A 25 -7.805 -4.635 6.029 1.00 0.00 C ATOM 414 CG LYS A 25 -8.841 -5.485 6.768 1.00 0.00 C ATOM 415 CD LYS A 25 -8.532 -5.479 8.266 1.00 0.00 C ATOM 416 CE LYS A 25 -9.343 -6.576 8.959 1.00 0.00 C ATOM 417 NZ LYS A 25 -8.457 -7.344 9.878 1.00 0.00 N ATOM 0 H LYS A 25 -5.835 -3.779 4.673 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.212 -5.954 6.630 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.520 -3.778 6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.233 -4.241 5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.842 -5.092 6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.827 -6.506 6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.467 -5.642 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.775 -4.507 8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.169 -6.135 9.517 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.781 -7.243 8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.008 -8.090 10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.684 -7.777 9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.060 -6.703 10.594 1.00 0.00 H new ATOM 431 N GLU A 26 -7.102 -6.212 3.459 1.00 0.00 N ATOM 432 CA GLU A 26 -7.470 -7.225 2.429 1.00 0.00 C ATOM 433 C GLU A 26 -6.457 -8.371 2.459 1.00 0.00 C ATOM 434 O GLU A 26 -6.734 -9.467 2.012 1.00 0.00 O ATOM 435 CB GLU A 26 -7.460 -6.571 1.045 1.00 0.00 C ATOM 436 CG GLU A 26 -8.649 -7.082 0.230 1.00 0.00 C ATOM 437 CD GLU A 26 -9.207 -5.946 -0.628 1.00 0.00 C ATOM 438 OE1 GLU A 26 -8.793 -4.816 -0.422 1.00 0.00 O ATOM 439 OE2 GLU A 26 -10.038 -6.224 -1.478 1.00 0.00 O ATOM 0 H GLU A 26 -6.986 -5.260 3.111 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.466 -7.614 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.512 -5.487 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.527 -6.800 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.338 -7.912 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.423 -7.462 0.896 1.00 0.00 H new ATOM 446 N GLY A 27 -5.287 -8.129 2.983 1.00 0.00 N ATOM 447 CA GLY A 27 -4.259 -9.207 3.041 1.00 0.00 C ATOM 448 C GLY A 27 -3.239 -9.003 1.920 1.00 0.00 C ATOM 449 O GLY A 27 -3.213 -9.736 0.951 1.00 0.00 O ATOM 0 H GLY A 27 -4.998 -7.232 3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.758 -9.194 4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.734 -10.183 2.941 1.00 0.00 H new ATOM 453 N TYR A 28 -2.398 -8.014 2.044 1.00 0.00 N ATOM 454 CA TYR A 28 -1.380 -7.767 0.984 1.00 0.00 C ATOM 455 C TYR A 28 -0.199 -6.995 1.577 1.00 0.00 C ATOM 456 O TYR A 28 -0.374 -6.031 2.295 1.00 0.00 O ATOM 457 CB TYR A 28 -2.006 -6.944 -0.145 1.00 0.00 C ATOM 458 CG TYR A 28 -3.090 -7.753 -0.817 1.00 0.00 C ATOM 459 CD1 TYR A 28 -2.761 -8.656 -1.834 1.00 0.00 C ATOM 460 CD2 TYR A 28 -4.424 -7.597 -0.421 1.00 0.00 C ATOM 461 CE1 TYR A 28 -3.766 -9.404 -2.458 1.00 0.00 C ATOM 462 CE2 TYR A 28 -5.429 -8.346 -1.045 1.00 0.00 C ATOM 463 CZ TYR A 28 -5.101 -9.250 -2.062 1.00 0.00 C ATOM 464 OH TYR A 28 -6.092 -9.988 -2.676 1.00 0.00 O ATOM 0 H TYR A 28 -2.371 -7.367 2.832 1.00 0.00 H new ATOM 0 HA TYR A 28 -1.031 -8.722 0.590 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.422 -6.018 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.243 -6.664 -0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.731 -8.776 -2.137 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.677 -6.900 0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.513 -10.100 -3.244 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.458 -8.226 -0.741 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.960 -9.761 -2.282 1.00 0.00 H new ATOM 474 N GLN A 29 1.001 -7.410 1.279 1.00 0.00 N ATOM 475 CA GLN A 29 2.191 -6.697 1.822 1.00 0.00 C ATOM 476 C GLN A 29 2.618 -5.609 0.836 1.00 0.00 C ATOM 477 O GLN A 29 3.509 -5.801 0.032 1.00 0.00 O ATOM 478 CB GLN A 29 3.338 -7.691 2.015 1.00 0.00 C ATOM 479 CG GLN A 29 2.824 -8.925 2.760 1.00 0.00 C ATOM 480 CD GLN A 29 2.355 -8.518 4.157 1.00 0.00 C ATOM 481 OE1 GLN A 29 1.219 -8.750 4.521 1.00 0.00 O ATOM 482 NE2 GLN A 29 3.188 -7.916 4.963 1.00 0.00 N ATOM 0 H GLN A 29 1.209 -8.211 0.683 1.00 0.00 H new ATOM 0 HA GLN A 29 1.941 -6.244 2.781 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.748 -7.982 1.048 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.147 -7.224 2.577 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.002 -9.381 2.207 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.613 -9.674 2.833 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.142 -7.721 4.658 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.885 -7.641 5.897 1.00 0.00 H new ATOM 491 N THR A 30 1.987 -4.468 0.888 1.00 0.00 N ATOM 492 CA THR A 30 2.354 -3.371 -0.051 1.00 0.00 C ATOM 493 C THR A 30 3.448 -2.503 0.574 1.00 0.00 C ATOM 494 O THR A 30 3.807 -2.670 1.723 1.00 0.00 O ATOM 495 CB THR A 30 1.120 -2.511 -0.335 1.00 0.00 C ATOM 496 OG1 THR A 30 0.901 -1.626 0.755 1.00 0.00 O ATOM 497 CG2 THR A 30 -0.102 -3.412 -0.517 1.00 0.00 C ATOM 0 H THR A 30 1.234 -4.248 1.540 1.00 0.00 H new ATOM 0 HA THR A 30 2.723 -3.800 -0.983 1.00 0.00 H new ATOM 0 HB THR A 30 1.281 -1.934 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.112 -1.073 0.574 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.980 -2.798 -0.719 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.067 -4.090 -1.354 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.266 -3.991 0.392 1.00 0.00 H new ATOM 505 N PHE A 31 3.980 -1.576 -0.175 1.00 0.00 N ATOM 506 CA PHE A 31 5.051 -0.696 0.372 1.00 0.00 C ATOM 507 C PHE A 31 4.703 0.765 0.086 1.00 0.00 C ATOM 508 O PHE A 31 3.783 1.061 -0.653 1.00 0.00 O ATOM 509 CB PHE A 31 6.384 -1.040 -0.294 1.00 0.00 C ATOM 510 CG PHE A 31 6.574 -2.538 -0.303 1.00 0.00 C ATOM 511 CD1 PHE A 31 6.415 -3.271 0.879 1.00 0.00 C ATOM 512 CD2 PHE A 31 6.909 -3.194 -1.493 1.00 0.00 C ATOM 513 CE1 PHE A 31 6.592 -4.660 0.871 1.00 0.00 C ATOM 514 CE2 PHE A 31 7.086 -4.582 -1.502 1.00 0.00 C ATOM 515 CZ PHE A 31 6.928 -5.315 -0.319 1.00 0.00 C ATOM 0 H PHE A 31 3.719 -1.390 -1.143 1.00 0.00 H new ATOM 0 HA PHE A 31 5.132 -0.848 1.448 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.403 -0.655 -1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.204 -0.562 0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.156 -2.765 1.797 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.031 -2.629 -2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.469 -5.226 1.783 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.344 -5.088 -2.421 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.066 -6.386 -0.325 1.00 0.00 H new ATOM 525 N GLN A 32 5.427 1.683 0.665 1.00 0.00 N ATOM 526 CA GLN A 32 5.134 3.123 0.427 1.00 0.00 C ATOM 527 C GLN A 32 6.429 3.862 0.078 1.00 0.00 C ATOM 528 O GLN A 32 7.452 3.670 0.703 1.00 0.00 O ATOM 529 CB GLN A 32 4.517 3.724 1.691 1.00 0.00 C ATOM 530 CG GLN A 32 5.608 3.959 2.741 1.00 0.00 C ATOM 531 CD GLN A 32 5.042 3.687 4.135 1.00 0.00 C ATOM 532 OE1 GLN A 32 3.754 3.765 4.330 1.00 0.00 O flip ATOM 533 NE2 GLN A 32 5.780 3.401 5.058 1.00 0.00 N flip ATOM 0 H GLN A 32 6.209 1.497 1.293 1.00 0.00 H new ATOM 0 HA GLN A 32 4.435 3.223 -0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.021 4.665 1.452 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.755 3.054 2.089 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.459 3.306 2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.973 4.984 2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.787 3.340 4.906 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.392 3.222 5.984 1.00 0.00 H new ATOM 542 N ALA A 33 6.391 4.709 -0.916 1.00 0.00 N ATOM 543 CA ALA A 33 7.618 5.461 -1.300 1.00 0.00 C ATOM 544 C ALA A 33 7.219 6.751 -2.019 1.00 0.00 C ATOM 545 O ALA A 33 6.418 6.741 -2.933 1.00 0.00 O ATOM 546 CB ALA A 33 8.477 4.603 -2.234 1.00 0.00 C ATOM 0 H ALA A 33 5.564 4.912 -1.477 1.00 0.00 H new ATOM 0 HA ALA A 33 8.189 5.703 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.374 5.156 -2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.762 3.683 -1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.907 4.359 -3.131 1.00 0.00 H new ATOM 552 N ALA A 34 7.768 7.863 -1.615 1.00 0.00 N ATOM 553 CA ALA A 34 7.416 9.151 -2.278 1.00 0.00 C ATOM 554 C ALA A 34 8.243 9.310 -3.556 1.00 0.00 C ATOM 555 O ALA A 34 7.730 9.224 -4.655 1.00 0.00 O ATOM 556 CB ALA A 34 7.717 10.312 -1.329 1.00 0.00 C ATOM 0 H ALA A 34 8.445 7.936 -0.855 1.00 0.00 H new ATOM 0 HA ALA A 34 6.355 9.152 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.460 11.254 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.128 10.200 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.778 10.311 -1.078 1.00 0.00 H new ATOM 562 N ASN A 35 9.519 9.543 -3.422 1.00 0.00 N ATOM 563 CA ASN A 35 10.379 9.710 -4.626 1.00 0.00 C ATOM 564 C ASN A 35 10.337 8.433 -5.467 1.00 0.00 C ATOM 565 O ASN A 35 9.808 7.421 -5.049 1.00 0.00 O ATOM 566 CB ASN A 35 11.819 9.987 -4.190 1.00 0.00 C ATOM 567 CG ASN A 35 12.247 8.947 -3.153 1.00 0.00 C ATOM 568 OD1 ASN A 35 11.438 8.167 -2.687 1.00 0.00 O ATOM 569 ND2 ASN A 35 13.493 8.902 -2.767 1.00 0.00 N ATOM 0 H ASN A 35 10.004 9.625 -2.528 1.00 0.00 H new ATOM 0 HA ASN A 35 10.012 10.547 -5.220 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.485 9.951 -5.052 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.896 10.989 -3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.788 8.213 -2.075 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.172 9.556 -3.157 1.00 0.00 H new ATOM 576 N GLY A 36 10.889 8.471 -6.647 1.00 0.00 N ATOM 577 CA GLY A 36 10.881 7.259 -7.515 1.00 0.00 C ATOM 578 C GLY A 36 12.217 6.527 -7.385 1.00 0.00 C ATOM 579 O GLY A 36 12.337 5.370 -7.735 1.00 0.00 O ATOM 0 H GLY A 36 11.346 9.289 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.063 6.598 -7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.710 7.544 -8.553 1.00 0.00 H new ATOM 583 N LEU A 37 13.222 7.192 -6.886 1.00 0.00 N ATOM 584 CA LEU A 37 14.549 6.532 -6.735 1.00 0.00 C ATOM 585 C LEU A 37 14.498 5.551 -5.563 1.00 0.00 C ATOM 586 O LEU A 37 14.983 4.438 -5.648 1.00 0.00 O ATOM 587 CB LEU A 37 15.618 7.592 -6.468 1.00 0.00 C ATOM 588 CG LEU A 37 16.952 6.908 -6.162 1.00 0.00 C ATOM 589 CD1 LEU A 37 18.072 7.598 -6.943 1.00 0.00 C ATOM 590 CD2 LEU A 37 17.242 7.006 -4.663 1.00 0.00 C ATOM 0 H LEU A 37 13.182 8.163 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 37 14.794 5.993 -7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.722 8.244 -7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.319 8.221 -5.630 1.00 0.00 H new ATOM 0 HG LEU A 37 16.898 5.860 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.022 7.110 -6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.866 7.530 -8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.127 8.647 -6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.192 6.519 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.296 8.055 -4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.445 6.514 -4.105 1.00 0.00 H new ATOM 602 N GLN A 38 13.908 5.950 -4.468 1.00 0.00 N ATOM 603 CA GLN A 38 13.823 5.038 -3.297 1.00 0.00 C ATOM 604 C GLN A 38 12.716 4.013 -3.547 1.00 0.00 C ATOM 605 O GLN A 38 12.821 2.865 -3.164 1.00 0.00 O ATOM 606 CB GLN A 38 13.515 5.855 -2.039 1.00 0.00 C ATOM 607 CG GLN A 38 13.071 4.927 -0.906 1.00 0.00 C ATOM 608 CD GLN A 38 11.673 5.334 -0.440 1.00 0.00 C ATOM 609 OE1 GLN A 38 10.802 5.741 -1.320 1.00 0.00 O flip ATOM 610 NE2 GLN A 38 11.373 5.282 0.735 1.00 0.00 N flip ATOM 0 H GLN A 38 13.482 6.868 -4.336 1.00 0.00 H new ATOM 0 HA GLN A 38 14.770 4.518 -3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.399 6.416 -1.735 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.732 6.583 -2.251 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.066 3.892 -1.248 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.775 4.985 -0.076 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.056 4.963 1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.438 5.557 1.035 1.00 0.00 H new ATOM 619 N ALA A 39 11.661 4.415 -4.203 1.00 0.00 N ATOM 620 CA ALA A 39 10.560 3.456 -4.493 1.00 0.00 C ATOM 621 C ALA A 39 11.106 2.341 -5.385 1.00 0.00 C ATOM 622 O ALA A 39 10.881 1.171 -5.145 1.00 0.00 O ATOM 623 CB ALA A 39 9.424 4.183 -5.215 1.00 0.00 C ATOM 0 H ALA A 39 11.515 5.363 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 39 10.177 3.035 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.619 3.480 -5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.047 4.987 -4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.796 4.601 -6.150 1.00 0.00 H new ATOM 629 N LEU A 40 11.834 2.699 -6.408 1.00 0.00 N ATOM 630 CA LEU A 40 12.408 1.664 -7.310 1.00 0.00 C ATOM 631 C LEU A 40 13.351 0.775 -6.502 1.00 0.00 C ATOM 632 O LEU A 40 13.316 -0.436 -6.601 1.00 0.00 O ATOM 633 CB LEU A 40 13.185 2.344 -8.440 1.00 0.00 C ATOM 634 CG LEU A 40 12.205 2.851 -9.500 1.00 0.00 C ATOM 635 CD1 LEU A 40 12.771 4.109 -10.160 1.00 0.00 C ATOM 636 CD2 LEU A 40 12.000 1.767 -10.562 1.00 0.00 C ATOM 0 H LEU A 40 12.055 3.663 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 40 11.608 1.061 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.771 3.174 -8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.888 1.641 -8.886 1.00 0.00 H new ATOM 0 HG LEU A 40 11.251 3.087 -9.029 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.072 4.470 -10.915 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.919 4.881 -9.405 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.725 3.875 -10.631 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.302 2.126 -11.318 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.955 1.533 -11.032 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.597 0.870 -10.093 1.00 0.00 H new ATOM 648 N ASP A 41 14.191 1.364 -5.693 1.00 0.00 N ATOM 649 CA ASP A 41 15.126 0.547 -4.872 1.00 0.00 C ATOM 650 C ASP A 41 14.331 -0.550 -4.162 1.00 0.00 C ATOM 651 O ASP A 41 14.737 -1.696 -4.117 1.00 0.00 O ATOM 652 CB ASP A 41 15.809 1.439 -3.833 1.00 0.00 C ATOM 653 CG ASP A 41 17.293 1.581 -4.177 1.00 0.00 C ATOM 654 OD1 ASP A 41 17.590 2.189 -5.192 1.00 0.00 O ATOM 655 OD2 ASP A 41 18.107 1.079 -3.420 1.00 0.00 O ATOM 0 H ASP A 41 14.269 2.373 -5.567 1.00 0.00 H new ATOM 0 HA ASP A 41 15.885 0.098 -5.512 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.334 2.420 -3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.695 1.009 -2.838 1.00 0.00 H new ATOM 660 N ILE A 42 13.195 -0.210 -3.615 1.00 0.00 N ATOM 661 CA ILE A 42 12.370 -1.234 -2.919 1.00 0.00 C ATOM 662 C ILE A 42 11.903 -2.270 -3.940 1.00 0.00 C ATOM 663 O ILE A 42 11.815 -3.446 -3.652 1.00 0.00 O ATOM 664 CB ILE A 42 11.157 -0.562 -2.272 1.00 0.00 C ATOM 665 CG1 ILE A 42 11.608 0.231 -1.045 1.00 0.00 C ATOM 666 CG2 ILE A 42 10.147 -1.629 -1.846 1.00 0.00 C ATOM 667 CD1 ILE A 42 10.469 1.137 -0.573 1.00 0.00 C ATOM 0 H ILE A 42 12.804 0.732 -3.621 1.00 0.00 H new ATOM 0 HA ILE A 42 12.961 -1.722 -2.144 1.00 0.00 H new ATOM 0 HB ILE A 42 10.691 0.112 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.899 -0.451 -0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 42 12.486 0.830 -1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.283 -1.149 -1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.824 -2.194 -2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.612 -2.305 -1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.792 1.702 0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.199 1.828 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.604 0.528 -0.312 1.00 0.00 H new ATOM 679 N VAL A 43 11.607 -1.842 -5.137 1.00 0.00 N ATOM 680 CA VAL A 43 11.154 -2.803 -6.179 1.00 0.00 C ATOM 681 C VAL A 43 12.355 -3.611 -6.674 1.00 0.00 C ATOM 682 O VAL A 43 12.211 -4.597 -7.366 1.00 0.00 O ATOM 683 CB VAL A 43 10.537 -2.035 -7.350 1.00 0.00 C ATOM 684 CG1 VAL A 43 10.220 -3.006 -8.488 1.00 0.00 C ATOM 685 CG2 VAL A 43 9.247 -1.354 -6.889 1.00 0.00 C ATOM 0 H VAL A 43 11.660 -0.869 -5.437 1.00 0.00 H new ATOM 0 HA VAL A 43 10.408 -3.476 -5.757 1.00 0.00 H new ATOM 0 HB VAL A 43 11.242 -1.282 -7.701 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.781 -2.458 -9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.138 -3.493 -8.817 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.515 -3.760 -8.137 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.807 -0.807 -7.722 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.543 -2.108 -6.538 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.471 -0.661 -6.078 1.00 0.00 H new ATOM 695 N THR A 44 13.543 -3.198 -6.324 1.00 0.00 N ATOM 696 CA THR A 44 14.751 -3.944 -6.771 1.00 0.00 C ATOM 697 C THR A 44 15.104 -5.011 -5.731 1.00 0.00 C ATOM 698 O THR A 44 15.626 -6.059 -6.056 1.00 0.00 O ATOM 699 CB THR A 44 15.924 -2.972 -6.921 1.00 0.00 C ATOM 700 OG1 THR A 44 15.618 -2.017 -7.928 1.00 0.00 O ATOM 701 CG2 THR A 44 17.184 -3.746 -7.315 1.00 0.00 C ATOM 0 H THR A 44 13.728 -2.377 -5.748 1.00 0.00 H new ATOM 0 HA THR A 44 14.550 -4.422 -7.730 1.00 0.00 H new ATOM 0 HB THR A 44 16.097 -2.461 -5.974 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.885 -1.443 -7.622 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.018 -3.053 -7.422 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.417 -4.479 -6.543 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.015 -4.258 -8.262 1.00 0.00 H new ATOM 709 N LYS A 45 14.826 -4.750 -4.483 1.00 0.00 N ATOM 710 CA LYS A 45 15.151 -5.748 -3.422 1.00 0.00 C ATOM 711 C LYS A 45 13.972 -6.706 -3.230 1.00 0.00 C ATOM 712 O LYS A 45 14.125 -7.909 -3.279 1.00 0.00 O ATOM 713 CB LYS A 45 15.432 -5.017 -2.107 1.00 0.00 C ATOM 714 CG LYS A 45 16.938 -4.791 -1.960 1.00 0.00 C ATOM 715 CD LYS A 45 17.585 -6.036 -1.351 1.00 0.00 C ATOM 716 CE LYS A 45 17.844 -5.801 0.138 1.00 0.00 C ATOM 717 NZ LYS A 45 18.767 -4.643 0.306 1.00 0.00 N ATOM 0 H LYS A 45 14.388 -3.890 -4.151 1.00 0.00 H new ATOM 0 HA LYS A 45 16.031 -6.318 -3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.907 -4.062 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.058 -5.601 -1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.381 -4.577 -2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.126 -3.924 -1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.934 -6.900 -1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.521 -6.259 -1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.904 -5.608 0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.278 -6.694 0.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 19.414 -4.827 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.318 -4.509 -0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.214 -3.784 0.501 1.00 0.00 H new ATOM 731 N GLU A 46 12.796 -6.182 -3.005 1.00 0.00 N ATOM 732 CA GLU A 46 11.613 -7.067 -2.803 1.00 0.00 C ATOM 733 C GLU A 46 10.843 -7.203 -4.117 1.00 0.00 C ATOM 734 O GLU A 46 9.652 -7.434 -4.110 1.00 0.00 O ATOM 735 CB GLU A 46 10.699 -6.460 -1.737 1.00 0.00 C ATOM 736 CG GLU A 46 11.542 -5.954 -0.565 1.00 0.00 C ATOM 737 CD GLU A 46 11.257 -6.803 0.674 1.00 0.00 C ATOM 738 OE1 GLU A 46 10.273 -6.531 1.341 1.00 0.00 O ATOM 739 OE2 GLU A 46 12.027 -7.713 0.935 1.00 0.00 O ATOM 0 H GLU A 46 12.604 -5.182 -2.953 1.00 0.00 H new ATOM 0 HA GLU A 46 11.949 -8.051 -2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.121 -5.640 -2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.985 -7.206 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.601 -6.004 -0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.312 -4.908 -0.363 1.00 0.00 H new ATOM 746 N ARG A 47 11.532 -7.053 -5.228 1.00 0.00 N ATOM 747 CA ARG A 47 10.904 -7.157 -6.591 1.00 0.00 C ATOM 748 C ARG A 47 9.466 -7.683 -6.521 1.00 0.00 C ATOM 749 O ARG A 47 9.216 -8.839 -6.798 1.00 0.00 O ATOM 750 CB ARG A 47 11.739 -8.104 -7.454 1.00 0.00 C ATOM 751 CG ARG A 47 11.975 -9.413 -6.697 1.00 0.00 C ATOM 752 CD ARG A 47 13.472 -9.588 -6.434 1.00 0.00 C ATOM 753 NE ARG A 47 13.723 -10.950 -5.885 1.00 0.00 N ATOM 754 CZ ARG A 47 14.909 -11.271 -5.440 1.00 0.00 C ATOM 755 NH1 ARG A 47 15.881 -10.398 -5.474 1.00 0.00 N ATOM 756 NH2 ARG A 47 15.123 -12.465 -4.960 1.00 0.00 N ATOM 0 H ARG A 47 12.533 -6.857 -5.247 1.00 0.00 H new ATOM 0 HA ARG A 47 10.876 -6.157 -7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.226 -8.303 -8.395 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.693 -7.639 -7.704 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.428 -9.404 -5.754 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.596 -10.254 -7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.033 -9.447 -7.358 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.820 -8.831 -5.731 1.00 0.00 H new ATOM 0 HE ARG A 47 12.967 -11.634 -5.856 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.715 -9.464 -5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.806 -10.651 -5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.365 -13.147 -4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.048 -12.717 -4.612 1.00 0.00 H new ATOM 770 N PRO A 48 8.563 -6.806 -6.164 1.00 0.00 N ATOM 771 CA PRO A 48 7.132 -7.136 -6.059 1.00 0.00 C ATOM 772 C PRO A 48 6.504 -7.227 -7.454 1.00 0.00 C ATOM 773 O PRO A 48 7.057 -6.749 -8.425 1.00 0.00 O ATOM 774 CB PRO A 48 6.548 -5.961 -5.267 1.00 0.00 C ATOM 775 CG PRO A 48 7.533 -4.782 -5.450 1.00 0.00 C ATOM 776 CD PRO A 48 8.890 -5.403 -5.827 1.00 0.00 C ATOM 0 HA PRO A 48 6.945 -8.097 -5.579 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.556 -5.699 -5.634 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.440 -6.218 -4.213 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.186 -4.104 -6.230 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.614 -4.198 -4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.344 -4.885 -6.672 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.598 -5.346 -5.000 1.00 0.00 H new ATOM 784 N ASP A 49 5.357 -7.838 -7.560 1.00 0.00 N ATOM 785 CA ASP A 49 4.700 -7.962 -8.892 1.00 0.00 C ATOM 786 C ASP A 49 3.741 -6.789 -9.104 1.00 0.00 C ATOM 787 O ASP A 49 3.288 -6.538 -10.203 1.00 0.00 O ATOM 788 CB ASP A 49 3.918 -9.276 -8.954 1.00 0.00 C ATOM 789 CG ASP A 49 4.891 -10.440 -9.158 1.00 0.00 C ATOM 790 OD1 ASP A 49 5.367 -10.968 -8.168 1.00 0.00 O ATOM 791 OD2 ASP A 49 5.141 -10.782 -10.302 1.00 0.00 O ATOM 0 H ASP A 49 4.846 -8.257 -6.783 1.00 0.00 H new ATOM 0 HA ASP A 49 5.461 -7.952 -9.672 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.352 -9.418 -8.033 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.196 -9.244 -9.770 1.00 0.00 H new ATOM 796 N LEU A 50 3.427 -6.069 -8.063 1.00 0.00 N ATOM 797 CA LEU A 50 2.495 -4.916 -8.211 1.00 0.00 C ATOM 798 C LEU A 50 3.244 -3.612 -7.926 1.00 0.00 C ATOM 799 O LEU A 50 3.865 -3.454 -6.894 1.00 0.00 O ATOM 800 CB LEU A 50 1.336 -5.064 -7.223 1.00 0.00 C ATOM 801 CG LEU A 50 0.026 -4.679 -7.911 1.00 0.00 C ATOM 802 CD1 LEU A 50 -0.254 -5.650 -9.059 1.00 0.00 C ATOM 803 CD2 LEU A 50 -1.120 -4.745 -6.898 1.00 0.00 C ATOM 0 H LEU A 50 3.775 -6.229 -7.117 1.00 0.00 H new ATOM 0 HA LEU A 50 2.104 -4.896 -9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.281 -6.091 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.503 -4.429 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 50 0.108 -3.666 -8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.188 -5.375 -9.549 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.561 -5.605 -9.781 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.335 -6.664 -8.667 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.055 -4.471 -7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.200 -5.758 -6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.922 -4.053 -6.079 1.00 0.00 H new ATOM 815 N VAL A 51 3.190 -2.677 -8.834 1.00 0.00 N ATOM 816 CA VAL A 51 3.898 -1.383 -8.616 1.00 0.00 C ATOM 817 C VAL A 51 2.991 -0.229 -9.048 1.00 0.00 C ATOM 818 O VAL A 51 2.531 -0.175 -10.171 1.00 0.00 O ATOM 819 CB VAL A 51 5.183 -1.359 -9.445 1.00 0.00 C ATOM 820 CG1 VAL A 51 6.076 -0.211 -8.970 1.00 0.00 C ATOM 821 CG2 VAL A 51 5.926 -2.686 -9.269 1.00 0.00 C ATOM 0 H VAL A 51 2.686 -2.753 -9.718 1.00 0.00 H new ATOM 0 HA VAL A 51 4.145 -1.276 -7.560 1.00 0.00 H new ATOM 0 HB VAL A 51 4.934 -1.215 -10.497 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.992 -0.194 -9.561 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.548 0.735 -9.092 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.325 -0.355 -7.919 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.842 -2.671 -9.859 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.174 -2.827 -8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.291 -3.506 -9.605 1.00 0.00 H new ATOM 831 N LEU A 52 2.730 0.696 -8.165 1.00 0.00 N ATOM 832 CA LEU A 52 1.853 1.844 -8.527 1.00 0.00 C ATOM 833 C LEU A 52 2.711 3.086 -8.777 1.00 0.00 C ATOM 834 O LEU A 52 3.613 3.391 -8.022 1.00 0.00 O ATOM 835 CB LEU A 52 0.878 2.121 -7.381 1.00 0.00 C ATOM 836 CG LEU A 52 0.059 0.862 -7.090 1.00 0.00 C ATOM 837 CD1 LEU A 52 0.278 0.433 -5.638 1.00 0.00 C ATOM 838 CD2 LEU A 52 -1.425 1.156 -7.316 1.00 0.00 C ATOM 0 H LEU A 52 3.086 0.706 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 52 1.294 1.602 -9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.426 2.425 -6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.216 2.945 -7.645 1.00 0.00 H new ATOM 0 HG LEU A 52 0.377 0.061 -7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.306 -0.464 -5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.335 0.223 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.039 1.234 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.009 0.259 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.743 1.958 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.582 1.460 -8.351 1.00 0.00 H new ATOM 850 N LEU A 53 2.439 3.804 -9.832 1.00 0.00 N ATOM 851 CA LEU A 53 3.238 5.025 -10.131 1.00 0.00 C ATOM 852 C LEU A 53 2.302 6.228 -10.259 1.00 0.00 C ATOM 853 O LEU A 53 1.268 6.159 -10.895 1.00 0.00 O ATOM 854 CB LEU A 53 3.997 4.828 -11.446 1.00 0.00 C ATOM 855 CG LEU A 53 5.499 4.772 -11.163 1.00 0.00 C ATOM 856 CD1 LEU A 53 5.792 3.640 -10.177 1.00 0.00 C ATOM 857 CD2 LEU A 53 6.253 4.514 -12.470 1.00 0.00 C ATOM 0 H LEU A 53 1.697 3.597 -10.500 1.00 0.00 H new ATOM 0 HA LEU A 53 3.948 5.201 -9.323 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.673 3.907 -11.931 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.775 5.645 -12.132 1.00 0.00 H new ATOM 0 HG LEU A 53 5.823 5.720 -10.734 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.863 3.601 -9.976 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.254 3.820 -9.246 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.468 2.691 -10.605 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.324 4.474 -12.270 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.927 3.565 -12.897 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.045 5.319 -13.175 1.00 0.00 H new ATOM 869 N ASP A 54 2.655 7.332 -9.660 1.00 0.00 N ATOM 870 CA ASP A 54 1.786 8.538 -9.747 1.00 0.00 C ATOM 871 C ASP A 54 2.592 9.708 -10.316 1.00 0.00 C ATOM 872 O ASP A 54 3.400 10.307 -9.635 1.00 0.00 O ATOM 873 CB ASP A 54 1.276 8.902 -8.351 1.00 0.00 C ATOM 874 CG ASP A 54 0.033 9.785 -8.474 1.00 0.00 C ATOM 875 OD1 ASP A 54 -0.387 10.029 -9.594 1.00 0.00 O ATOM 876 OD2 ASP A 54 -0.479 10.201 -7.448 1.00 0.00 O ATOM 0 H ASP A 54 3.508 7.450 -9.114 1.00 0.00 H new ATOM 0 HA ASP A 54 0.939 8.328 -10.400 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.038 7.997 -7.792 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.053 9.426 -7.794 1.00 0.00 H new ATOM 881 N MET A 55 2.380 10.039 -11.560 1.00 0.00 N ATOM 882 CA MET A 55 3.135 11.169 -12.169 1.00 0.00 C ATOM 883 C MET A 55 2.794 12.466 -11.432 1.00 0.00 C ATOM 884 O MET A 55 3.516 13.441 -11.506 1.00 0.00 O ATOM 885 CB MET A 55 2.750 11.304 -13.645 1.00 0.00 C ATOM 886 CG MET A 55 2.999 9.976 -14.362 1.00 0.00 C ATOM 887 SD MET A 55 4.773 9.772 -14.656 1.00 0.00 S ATOM 888 CE MET A 55 4.682 8.174 -15.500 1.00 0.00 C ATOM 0 H MET A 55 1.716 9.576 -12.181 1.00 0.00 H new ATOM 0 HA MET A 55 4.205 10.976 -12.089 1.00 0.00 H new ATOM 0 HB2 MET A 55 1.701 11.586 -13.734 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.334 12.097 -14.113 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.622 9.149 -13.760 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.458 9.954 -15.308 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.658 7.927 -15.917 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.385 7.403 -14.789 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.947 8.228 -16.304 1.00 0.00 H new ATOM 898 N LYS A 56 1.700 12.486 -10.721 1.00 0.00 N ATOM 899 CA LYS A 56 1.316 13.720 -9.979 1.00 0.00 C ATOM 900 C LYS A 56 2.468 14.146 -9.069 1.00 0.00 C ATOM 901 O LYS A 56 2.603 15.302 -8.721 1.00 0.00 O ATOM 902 CB LYS A 56 0.072 13.440 -9.132 1.00 0.00 C ATOM 903 CG LYS A 56 -1.060 12.942 -10.033 1.00 0.00 C ATOM 904 CD LYS A 56 -2.073 14.067 -10.251 1.00 0.00 C ATOM 905 CE LYS A 56 -3.146 14.006 -9.162 1.00 0.00 C ATOM 906 NZ LYS A 56 -2.500 14.101 -7.822 1.00 0.00 N ATOM 0 H LYS A 56 1.056 11.701 -10.622 1.00 0.00 H new ATOM 0 HA LYS A 56 1.099 14.519 -10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.299 12.694 -8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.237 14.346 -8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.658 12.610 -10.990 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.549 12.081 -9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.570 15.034 -10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.532 13.971 -11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.859 14.820 -9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.708 13.075 -9.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.232 14.196 -7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.942 13.242 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.875 14.932 -7.796 1.00 0.00 H new ATOM 920 N ILE A 57 3.302 13.219 -8.680 1.00 0.00 N ATOM 921 CA ILE A 57 4.448 13.567 -7.792 1.00 0.00 C ATOM 922 C ILE A 57 5.095 14.869 -8.278 1.00 0.00 C ATOM 923 O ILE A 57 5.823 14.868 -9.251 1.00 0.00 O ATOM 924 CB ILE A 57 5.482 12.440 -7.837 1.00 0.00 C ATOM 925 CG1 ILE A 57 4.922 11.209 -7.119 1.00 0.00 C ATOM 926 CG2 ILE A 57 6.765 12.894 -7.140 1.00 0.00 C ATOM 927 CD1 ILE A 57 6.041 10.189 -6.902 1.00 0.00 C ATOM 0 H ILE A 57 3.239 12.235 -8.939 1.00 0.00 H new ATOM 0 HA ILE A 57 4.091 13.698 -6.770 1.00 0.00 H new ATOM 0 HB ILE A 57 5.702 12.190 -8.875 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.490 11.499 -6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.120 10.765 -7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.501 12.090 -7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.164 13.772 -7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.546 13.144 -6.102 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.641 9.313 -6.391 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.453 9.890 -7.866 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.828 10.636 -6.294 1.00 0.00 H new ATOM 939 N PRO A 58 4.811 15.945 -7.585 1.00 0.00 N ATOM 940 CA PRO A 58 5.355 17.271 -7.926 1.00 0.00 C ATOM 941 C PRO A 58 6.810 17.388 -7.463 1.00 0.00 C ATOM 942 O PRO A 58 7.085 17.669 -6.313 1.00 0.00 O ATOM 943 CB PRO A 58 4.455 18.240 -7.154 1.00 0.00 C ATOM 944 CG PRO A 58 3.830 17.425 -5.997 1.00 0.00 C ATOM 945 CD PRO A 58 3.927 15.942 -6.401 1.00 0.00 C ATOM 0 HA PRO A 58 5.362 17.468 -8.998 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.030 19.082 -6.770 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.681 18.652 -7.802 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.362 17.608 -5.063 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.792 17.715 -5.835 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.342 15.336 -5.596 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.946 15.529 -6.637 1.00 0.00 H new ATOM 953 N GLY A 59 7.743 17.173 -8.350 1.00 0.00 N ATOM 954 CA GLY A 59 9.178 17.270 -7.962 1.00 0.00 C ATOM 955 C GLY A 59 10.023 16.425 -8.918 1.00 0.00 C ATOM 956 O GLY A 59 11.214 16.620 -9.047 1.00 0.00 O ATOM 0 H GLY A 59 7.573 16.934 -9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.505 18.309 -7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.313 16.924 -6.937 1.00 0.00 H new ATOM 960 N MET A 60 9.413 15.486 -9.590 1.00 0.00 N ATOM 961 CA MET A 60 10.179 14.630 -10.537 1.00 0.00 C ATOM 962 C MET A 60 9.205 13.855 -11.426 1.00 0.00 C ATOM 963 O MET A 60 8.096 13.553 -11.031 1.00 0.00 O ATOM 964 CB MET A 60 11.045 13.645 -9.749 1.00 0.00 C ATOM 965 CG MET A 60 10.153 12.579 -9.109 1.00 0.00 C ATOM 966 SD MET A 60 10.082 11.126 -10.186 1.00 0.00 S ATOM 967 CE MET A 60 8.552 10.425 -9.518 1.00 0.00 C ATOM 0 H MET A 60 8.417 15.276 -9.523 1.00 0.00 H new ATOM 0 HA MET A 60 10.817 15.258 -11.159 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.774 13.176 -10.410 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.607 14.174 -8.979 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.545 12.301 -8.131 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.151 12.976 -8.950 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.141 9.707 -10.227 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.764 9.923 -8.574 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.829 11.223 -9.350 1.00 0.00 H new ATOM 977 N ASP A 61 9.606 13.533 -12.625 1.00 0.00 N ATOM 978 CA ASP A 61 8.701 12.778 -13.536 1.00 0.00 C ATOM 979 C ASP A 61 8.824 11.279 -13.254 1.00 0.00 C ATOM 980 O ASP A 61 9.889 10.781 -12.949 1.00 0.00 O ATOM 981 CB ASP A 61 9.092 13.057 -14.989 1.00 0.00 C ATOM 982 CG ASP A 61 8.515 14.405 -15.424 1.00 0.00 C ATOM 983 OD1 ASP A 61 8.637 15.352 -14.665 1.00 0.00 O ATOM 984 OD2 ASP A 61 7.961 14.468 -16.510 1.00 0.00 O ATOM 0 H ASP A 61 10.522 13.760 -13.013 1.00 0.00 H new ATOM 0 HA ASP A 61 7.672 13.095 -13.368 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.177 13.065 -15.089 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.718 12.264 -15.636 1.00 0.00 H new ATOM 989 N GLY A 62 7.742 10.557 -13.353 1.00 0.00 N ATOM 990 CA GLY A 62 7.797 9.091 -13.091 1.00 0.00 C ATOM 991 C GLY A 62 7.939 8.340 -14.415 1.00 0.00 C ATOM 992 O GLY A 62 7.780 7.137 -14.477 1.00 0.00 O ATOM 0 H GLY A 62 6.822 10.919 -13.604 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.638 8.859 -12.437 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.893 8.769 -12.574 1.00 0.00 H new ATOM 996 N ILE A 63 8.237 9.039 -15.476 1.00 0.00 N ATOM 997 CA ILE A 63 8.387 8.363 -16.795 1.00 0.00 C ATOM 998 C ILE A 63 9.649 7.496 -16.783 1.00 0.00 C ATOM 999 O ILE A 63 9.668 6.403 -17.311 1.00 0.00 O ATOM 1000 CB ILE A 63 8.504 9.416 -17.898 1.00 0.00 C ATOM 1001 CG1 ILE A 63 7.144 10.088 -18.104 1.00 0.00 C ATOM 1002 CG2 ILE A 63 8.944 8.746 -19.201 1.00 0.00 C ATOM 1003 CD1 ILE A 63 6.186 9.104 -18.777 1.00 0.00 C ATOM 0 H ILE A 63 8.383 10.048 -15.486 1.00 0.00 H new ATOM 0 HA ILE A 63 7.516 7.736 -16.982 1.00 0.00 H new ATOM 0 HB ILE A 63 9.242 10.165 -17.609 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.737 10.411 -17.146 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.257 10.981 -18.719 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.027 9.497 -19.986 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.911 8.266 -19.055 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.207 7.997 -19.492 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.217 9.582 -18.924 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.592 8.803 -19.743 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.064 8.224 -18.145 1.00 0.00 H new ATOM 1015 N GLU A 64 10.704 7.977 -16.183 1.00 0.00 N ATOM 1016 CA GLU A 64 11.962 7.180 -16.137 1.00 0.00 C ATOM 1017 C GLU A 64 11.756 5.952 -15.249 1.00 0.00 C ATOM 1018 O GLU A 64 12.298 4.894 -15.499 1.00 0.00 O ATOM 1019 CB GLU A 64 13.090 8.041 -15.564 1.00 0.00 C ATOM 1020 CG GLU A 64 12.947 9.476 -16.073 1.00 0.00 C ATOM 1021 CD GLU A 64 14.332 10.061 -16.351 1.00 0.00 C ATOM 1022 OE1 GLU A 64 15.233 9.797 -15.570 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.471 10.764 -17.338 1.00 0.00 O ATOM 0 H GLU A 64 10.749 8.886 -15.723 1.00 0.00 H new ATOM 0 HA GLU A 64 12.226 6.859 -17.145 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.056 8.025 -14.475 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.057 7.634 -15.859 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.345 9.492 -16.982 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.425 10.085 -15.334 1.00 0.00 H new ATOM 1030 N ILE A 65 10.975 6.084 -14.210 1.00 0.00 N ATOM 1031 CA ILE A 65 10.735 4.923 -13.307 1.00 0.00 C ATOM 1032 C ILE A 65 10.239 3.732 -14.128 1.00 0.00 C ATOM 1033 O ILE A 65 10.889 2.710 -14.213 1.00 0.00 O ATOM 1034 CB ILE A 65 9.682 5.299 -12.264 1.00 0.00 C ATOM 1035 CG1 ILE A 65 10.067 6.627 -11.607 1.00 0.00 C ATOM 1036 CG2 ILE A 65 9.606 4.206 -11.197 1.00 0.00 C ATOM 1037 CD1 ILE A 65 9.177 6.870 -10.386 1.00 0.00 C ATOM 0 H ILE A 65 10.494 6.945 -13.949 1.00 0.00 H new ATOM 0 HA ILE A 65 11.664 4.655 -12.805 1.00 0.00 H new ATOM 0 HB ILE A 65 8.711 5.400 -12.749 1.00 0.00 H new ATOM 0 HG12 ILE A 65 11.115 6.607 -11.308 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.955 7.444 -12.320 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.855 4.475 -10.454 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.332 3.260 -11.664 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.577 4.103 -10.712 1.00 0.00 H new ATOM 0 HD11 ILE A 65 9.451 7.816 -9.918 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.133 6.909 -10.698 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.312 6.059 -9.670 1.00 0.00 H new ATOM 1049 N LEU A 66 9.089 3.855 -14.735 1.00 0.00 N ATOM 1050 CA LEU A 66 8.552 2.729 -15.549 1.00 0.00 C ATOM 1051 C LEU A 66 9.657 2.184 -16.455 1.00 0.00 C ATOM 1052 O LEU A 66 9.899 0.994 -16.508 1.00 0.00 O ATOM 1053 CB LEU A 66 7.389 3.231 -16.408 1.00 0.00 C ATOM 1054 CG LEU A 66 6.146 3.402 -15.533 1.00 0.00 C ATOM 1055 CD1 LEU A 66 4.944 3.747 -16.416 1.00 0.00 C ATOM 1056 CD2 LEU A 66 5.868 2.098 -14.783 1.00 0.00 C ATOM 0 H LEU A 66 8.499 4.687 -14.702 1.00 0.00 H new ATOM 0 HA LEU A 66 8.200 1.937 -14.888 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.651 4.180 -16.875 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.186 2.525 -17.213 1.00 0.00 H new ATOM 0 HG LEU A 66 6.314 4.206 -14.816 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.058 3.869 -15.793 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.141 4.675 -16.952 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.776 2.943 -17.132 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.982 2.219 -14.159 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.700 1.295 -15.500 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.723 1.850 -14.155 1.00 0.00 H new ATOM 1068 N LYS A 67 10.330 3.043 -17.171 1.00 0.00 N ATOM 1069 CA LYS A 67 11.419 2.571 -18.072 1.00 0.00 C ATOM 1070 C LYS A 67 12.275 1.536 -17.340 1.00 0.00 C ATOM 1071 O LYS A 67 12.531 0.460 -17.843 1.00 0.00 O ATOM 1072 CB LYS A 67 12.293 3.759 -18.481 1.00 0.00 C ATOM 1073 CG LYS A 67 13.030 3.427 -19.780 1.00 0.00 C ATOM 1074 CD LYS A 67 13.225 4.705 -20.598 1.00 0.00 C ATOM 1075 CE LYS A 67 11.982 4.961 -21.452 1.00 0.00 C ATOM 1076 NZ LYS A 67 11.981 4.033 -22.618 1.00 0.00 N ATOM 0 H LYS A 67 10.173 4.051 -17.171 1.00 0.00 H new ATOM 0 HA LYS A 67 10.983 2.117 -18.962 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.677 4.648 -18.617 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.010 3.986 -17.692 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.996 2.975 -19.557 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.462 2.697 -20.356 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.403 5.551 -19.934 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.104 4.610 -21.236 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.081 4.814 -20.856 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.971 5.995 -21.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.357 4.409 -23.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.948 3.943 -22.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.637 3.099 -22.318 1.00 0.00 H new ATOM 1090 N ARG A 68 12.719 1.851 -16.154 1.00 0.00 N ATOM 1091 CA ARG A 68 13.558 0.885 -15.392 1.00 0.00 C ATOM 1092 C ARG A 68 12.762 -0.399 -15.147 1.00 0.00 C ATOM 1093 O ARG A 68 13.289 -1.491 -15.220 1.00 0.00 O ATOM 1094 CB ARG A 68 13.955 1.503 -14.049 1.00 0.00 C ATOM 1095 CG ARG A 68 15.442 1.864 -14.074 1.00 0.00 C ATOM 1096 CD ARG A 68 15.621 3.246 -14.704 1.00 0.00 C ATOM 1097 NE ARG A 68 17.056 3.451 -15.051 1.00 0.00 N ATOM 1098 CZ ARG A 68 17.457 4.599 -15.529 1.00 0.00 C ATOM 1099 NH1 ARG A 68 16.605 5.572 -15.705 1.00 0.00 N ATOM 1100 NH2 ARG A 68 18.715 4.774 -15.831 1.00 0.00 N ATOM 0 H ARG A 68 12.537 2.736 -15.680 1.00 0.00 H new ATOM 0 HA ARG A 68 14.456 0.652 -15.965 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.357 2.393 -13.855 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.754 0.801 -13.240 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.845 1.859 -13.061 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.999 1.119 -14.642 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.004 3.333 -15.598 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.289 4.019 -14.011 1.00 0.00 H new ATOM 0 HE ARG A 68 17.726 2.694 -14.915 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.622 5.438 -15.469 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.922 6.467 -16.078 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.383 4.015 -15.694 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.030 5.669 -16.204 1.00 0.00 H new ATOM 1114 N MET A 69 11.495 -0.276 -14.857 1.00 0.00 N ATOM 1115 CA MET A 69 10.667 -1.490 -14.608 1.00 0.00 C ATOM 1116 C MET A 69 10.641 -2.356 -15.869 1.00 0.00 C ATOM 1117 O MET A 69 10.416 -3.548 -15.809 1.00 0.00 O ATOM 1118 CB MET A 69 9.241 -1.069 -14.248 1.00 0.00 C ATOM 1119 CG MET A 69 9.280 -0.045 -13.113 1.00 0.00 C ATOM 1120 SD MET A 69 8.454 -0.728 -11.655 1.00 0.00 S ATOM 1121 CE MET A 69 8.556 0.753 -10.620 1.00 0.00 C ATOM 0 H MET A 69 10.998 0.612 -14.782 1.00 0.00 H new ATOM 0 HA MET A 69 11.096 -2.061 -13.784 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.746 -0.642 -15.120 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.659 -1.940 -13.946 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.313 0.209 -12.873 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.789 0.877 -13.424 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.756 0.463 -9.589 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.361 1.394 -10.980 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.612 1.296 -10.667 1.00 0.00 H new ATOM 1131 N LYS A 70 10.870 -1.766 -17.010 1.00 0.00 N ATOM 1132 CA LYS A 70 10.859 -2.557 -18.273 1.00 0.00 C ATOM 1133 C LYS A 70 12.204 -3.267 -18.442 1.00 0.00 C ATOM 1134 O LYS A 70 12.264 -4.434 -18.773 1.00 0.00 O ATOM 1135 CB LYS A 70 10.625 -1.619 -19.459 1.00 0.00 C ATOM 1136 CG LYS A 70 9.494 -0.644 -19.125 1.00 0.00 C ATOM 1137 CD LYS A 70 8.145 -1.318 -19.386 1.00 0.00 C ATOM 1138 CE LYS A 70 7.044 -0.558 -18.644 1.00 0.00 C ATOM 1139 NZ LYS A 70 7.204 -0.759 -17.176 1.00 0.00 N ATOM 0 H LYS A 70 11.064 -0.771 -17.122 1.00 0.00 H new ATOM 0 HA LYS A 70 10.060 -3.297 -18.232 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.538 -1.069 -19.687 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.371 -2.196 -20.348 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.562 -0.335 -18.082 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.586 0.257 -19.731 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.934 -1.333 -20.455 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.174 -2.355 -19.053 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.095 0.504 -18.884 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.064 -0.911 -18.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.287 -1.017 -16.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.890 -1.521 -17.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.547 0.121 -16.740 1.00 0.00 H new ATOM 1153 N VAL A 71 13.284 -2.570 -18.218 1.00 0.00 N ATOM 1154 CA VAL A 71 14.624 -3.205 -18.366 1.00 0.00 C ATOM 1155 C VAL A 71 14.787 -4.304 -17.313 1.00 0.00 C ATOM 1156 O VAL A 71 15.578 -5.212 -17.467 1.00 0.00 O ATOM 1157 CB VAL A 71 15.713 -2.149 -18.175 1.00 0.00 C ATOM 1158 CG1 VAL A 71 17.021 -2.642 -18.797 1.00 0.00 C ATOM 1159 CG2 VAL A 71 15.285 -0.847 -18.855 1.00 0.00 C ATOM 0 H VAL A 71 13.297 -1.589 -17.939 1.00 0.00 H new ATOM 0 HA VAL A 71 14.712 -3.640 -19.361 1.00 0.00 H new ATOM 0 HB VAL A 71 15.863 -1.972 -17.110 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.796 -1.888 -18.660 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.327 -3.569 -18.313 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.873 -2.820 -19.862 1.00 0.00 H new ATOM 0 HG21 VAL A 71 16.061 -0.094 -18.719 1.00 0.00 H new ATOM 0 HG22 VAL A 71 15.134 -1.025 -19.920 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.354 -0.494 -18.411 1.00 0.00 H new ATOM 1169 N ILE A 72 14.044 -4.227 -16.242 1.00 0.00 N ATOM 1170 CA ILE A 72 14.158 -5.267 -15.181 1.00 0.00 C ATOM 1171 C ILE A 72 13.197 -6.416 -15.490 1.00 0.00 C ATOM 1172 O ILE A 72 13.533 -7.575 -15.342 1.00 0.00 O ATOM 1173 CB ILE A 72 13.801 -4.653 -13.826 1.00 0.00 C ATOM 1174 CG1 ILE A 72 14.735 -3.474 -13.541 1.00 0.00 C ATOM 1175 CG2 ILE A 72 13.962 -5.707 -12.730 1.00 0.00 C ATOM 1176 CD1 ILE A 72 14.244 -2.723 -12.302 1.00 0.00 C ATOM 0 H ILE A 72 13.364 -3.490 -16.057 1.00 0.00 H new ATOM 0 HA ILE A 72 15.180 -5.646 -15.150 1.00 0.00 H new ATOM 0 HB ILE A 72 12.768 -4.304 -13.845 1.00 0.00 H new ATOM 0 HG12 ILE A 72 15.752 -3.832 -13.383 1.00 0.00 H new ATOM 0 HG13 ILE A 72 14.763 -2.803 -14.399 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.708 -5.270 -11.764 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.299 -6.548 -12.934 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.994 -6.056 -12.710 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.909 -1.883 -12.098 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.234 -2.352 -12.478 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.239 -3.398 -11.446 1.00 0.00 H new ATOM 1188 N ASP A 73 12.004 -6.108 -15.917 1.00 0.00 N ATOM 1189 CA ASP A 73 11.024 -7.184 -16.234 1.00 0.00 C ATOM 1190 C ASP A 73 10.024 -6.673 -17.273 1.00 0.00 C ATOM 1191 O ASP A 73 9.460 -5.605 -17.135 1.00 0.00 O ATOM 1192 CB ASP A 73 10.276 -7.584 -14.961 1.00 0.00 C ATOM 1193 CG ASP A 73 10.585 -9.044 -14.623 1.00 0.00 C ATOM 1194 OD1 ASP A 73 11.639 -9.513 -15.021 1.00 0.00 O ATOM 1195 OD2 ASP A 73 9.763 -9.668 -13.972 1.00 0.00 O ATOM 0 H ASP A 73 11.665 -5.157 -16.060 1.00 0.00 H new ATOM 0 HA ASP A 73 11.552 -8.050 -16.633 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.572 -6.938 -14.135 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.203 -7.451 -15.100 1.00 0.00 H new ATOM 1200 N GLU A 74 9.797 -7.428 -18.313 1.00 0.00 N ATOM 1201 CA GLU A 74 8.833 -6.985 -19.360 1.00 0.00 C ATOM 1202 C GLU A 74 7.432 -7.489 -19.009 1.00 0.00 C ATOM 1203 O GLU A 74 6.448 -7.071 -19.586 1.00 0.00 O ATOM 1204 CB GLU A 74 9.255 -7.554 -20.716 1.00 0.00 C ATOM 1205 CG GLU A 74 10.289 -6.627 -21.359 1.00 0.00 C ATOM 1206 CD GLU A 74 11.187 -7.436 -22.298 1.00 0.00 C ATOM 1207 OE1 GLU A 74 11.519 -8.557 -21.947 1.00 0.00 O ATOM 1208 OE2 GLU A 74 11.527 -6.922 -23.351 1.00 0.00 O ATOM 0 H GLU A 74 10.237 -8.332 -18.483 1.00 0.00 H new ATOM 0 HA GLU A 74 8.826 -5.896 -19.410 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.675 -8.552 -20.589 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.386 -7.654 -21.367 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.787 -5.834 -21.913 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.891 -6.146 -20.588 1.00 0.00 H new ATOM 1215 N ASN A 75 7.334 -8.387 -18.066 1.00 0.00 N ATOM 1216 CA ASN A 75 5.996 -8.917 -17.681 1.00 0.00 C ATOM 1217 C ASN A 75 5.699 -8.541 -16.227 1.00 0.00 C ATOM 1218 O ASN A 75 5.419 -9.388 -15.402 1.00 0.00 O ATOM 1219 CB ASN A 75 5.990 -10.441 -17.824 1.00 0.00 C ATOM 1220 CG ASN A 75 6.692 -10.833 -19.126 1.00 0.00 C ATOM 1221 OD1 ASN A 75 7.856 -10.541 -19.315 1.00 0.00 O ATOM 1222 ND2 ASN A 75 6.028 -11.489 -20.038 1.00 0.00 N ATOM 0 H ASN A 75 8.121 -8.775 -17.547 1.00 0.00 H new ATOM 0 HA ASN A 75 5.234 -8.488 -18.332 1.00 0.00 H new ATOM 0 HB2 ASN A 75 6.495 -10.899 -16.974 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.965 -10.813 -17.824 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.486 -11.756 -20.909 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.051 -11.734 -19.880 1.00 0.00 H new ATOM 1229 N ILE A 76 5.756 -7.277 -15.909 1.00 0.00 N ATOM 1230 CA ILE A 76 5.477 -6.848 -14.508 1.00 0.00 C ATOM 1231 C ILE A 76 4.157 -6.076 -14.466 1.00 0.00 C ATOM 1232 O ILE A 76 3.810 -5.368 -15.391 1.00 0.00 O ATOM 1233 CB ILE A 76 6.610 -5.948 -14.015 1.00 0.00 C ATOM 1234 CG1 ILE A 76 6.197 -5.284 -12.699 1.00 0.00 C ATOM 1235 CG2 ILE A 76 6.898 -4.869 -15.060 1.00 0.00 C ATOM 1236 CD1 ILE A 76 6.042 -6.352 -11.615 1.00 0.00 C ATOM 0 H ILE A 76 5.983 -6.523 -16.557 1.00 0.00 H new ATOM 0 HA ILE A 76 5.406 -7.726 -13.866 1.00 0.00 H new ATOM 0 HB ILE A 76 7.506 -6.548 -13.856 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.946 -4.552 -12.398 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.259 -4.745 -12.830 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.706 -4.228 -14.708 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.191 -5.340 -15.998 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.002 -4.269 -15.220 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.748 -5.879 -10.678 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.277 -7.068 -11.916 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.990 -6.871 -11.477 1.00 0.00 H new ATOM 1248 N ARG A 77 3.416 -6.206 -13.399 1.00 0.00 N ATOM 1249 CA ARG A 77 2.120 -5.479 -13.298 1.00 0.00 C ATOM 1250 C ARG A 77 2.355 -4.101 -12.676 1.00 0.00 C ATOM 1251 O ARG A 77 2.744 -3.984 -11.531 1.00 0.00 O ATOM 1252 CB ARG A 77 1.154 -6.277 -12.420 1.00 0.00 C ATOM 1253 CG ARG A 77 0.581 -7.447 -13.223 1.00 0.00 C ATOM 1254 CD ARG A 77 0.682 -8.731 -12.397 1.00 0.00 C ATOM 1255 NE ARG A 77 1.906 -9.482 -12.795 1.00 0.00 N ATOM 1256 CZ ARG A 77 2.367 -10.438 -12.034 1.00 0.00 C ATOM 1257 NH1 ARG A 77 1.757 -10.742 -10.920 1.00 0.00 N ATOM 1258 NH2 ARG A 77 3.440 -11.092 -12.387 1.00 0.00 N ATOM 0 H ARG A 77 3.653 -6.785 -12.593 1.00 0.00 H new ATOM 0 HA ARG A 77 1.692 -5.360 -14.293 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.672 -6.648 -11.536 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.347 -5.633 -12.070 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.459 -7.249 -13.482 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.127 -7.561 -14.160 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.719 -8.491 -11.334 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.203 -9.348 -12.554 1.00 0.00 H new ATOM 0 HE ARG A 77 2.385 -9.249 -13.665 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.918 -10.232 -10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.119 -11.489 -10.328 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.918 -10.856 -13.257 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.801 -11.839 -11.793 1.00 0.00 H new ATOM 1272 N VAL A 78 2.122 -3.056 -13.421 1.00 0.00 N ATOM 1273 CA VAL A 78 2.332 -1.687 -12.872 1.00 0.00 C ATOM 1274 C VAL A 78 1.102 -0.825 -13.163 1.00 0.00 C ATOM 1275 O VAL A 78 0.778 -0.553 -14.302 1.00 0.00 O ATOM 1276 CB VAL A 78 3.563 -1.057 -13.528 1.00 0.00 C ATOM 1277 CG1 VAL A 78 3.925 0.238 -12.799 1.00 0.00 C ATOM 1278 CG2 VAL A 78 4.739 -2.033 -13.445 1.00 0.00 C ATOM 0 H VAL A 78 1.795 -3.091 -14.387 1.00 0.00 H new ATOM 0 HA VAL A 78 2.485 -1.748 -11.795 1.00 0.00 H new ATOM 0 HB VAL A 78 3.344 -0.836 -14.573 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.802 0.686 -13.267 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.088 0.934 -12.856 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.144 0.018 -11.754 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.617 -1.586 -13.912 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.956 -2.253 -12.400 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.483 -2.956 -13.964 1.00 0.00 H new ATOM 1288 N ILE A 79 0.415 -0.393 -12.141 1.00 0.00 N ATOM 1289 CA ILE A 79 -0.793 0.450 -12.361 1.00 0.00 C ATOM 1290 C ILE A 79 -0.437 1.920 -12.131 1.00 0.00 C ATOM 1291 O ILE A 79 0.190 2.271 -11.150 1.00 0.00 O ATOM 1292 CB ILE A 79 -1.892 0.033 -11.380 1.00 0.00 C ATOM 1293 CG1 ILE A 79 -2.445 -1.334 -11.789 1.00 0.00 C ATOM 1294 CG2 ILE A 79 -3.019 1.067 -11.404 1.00 0.00 C ATOM 1295 CD1 ILE A 79 -3.101 -2.002 -10.579 1.00 0.00 C ATOM 0 H ILE A 79 0.638 -0.587 -11.165 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.148 0.317 -13.383 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.478 -0.027 -10.374 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.172 -1.218 -12.593 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.642 -1.963 -12.174 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.801 0.769 -10.705 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.625 2.041 -11.114 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.435 1.128 -12.410 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.495 -2.976 -10.870 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.361 -2.131 -9.789 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.915 -1.375 -10.214 1.00 0.00 H new ATOM 1307 N ILE A 80 -0.829 2.784 -13.027 1.00 0.00 N ATOM 1308 CA ILE A 80 -0.510 4.230 -12.859 1.00 0.00 C ATOM 1309 C ILE A 80 -1.635 4.910 -12.077 1.00 0.00 C ATOM 1310 O ILE A 80 -2.661 4.318 -11.804 1.00 0.00 O ATOM 1311 CB ILE A 80 -0.371 4.893 -14.232 1.00 0.00 C ATOM 1312 CG1 ILE A 80 0.141 3.867 -15.248 1.00 0.00 C ATOM 1313 CG2 ILE A 80 0.619 6.055 -14.138 1.00 0.00 C ATOM 1314 CD1 ILE A 80 0.581 4.585 -16.526 1.00 0.00 C ATOM 0 H ILE A 80 -1.357 2.551 -13.868 1.00 0.00 H new ATOM 0 HA ILE A 80 0.429 4.331 -12.314 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.343 5.267 -14.554 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.977 3.309 -14.826 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.642 3.144 -15.476 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.719 6.528 -15.115 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.254 6.786 -13.417 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.590 5.680 -13.815 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.945 3.853 -17.247 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.266 5.123 -16.951 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.378 5.290 -16.291 1.00 0.00 H new ATOM 1326 N MET A 81 -1.455 6.151 -11.716 1.00 0.00 N ATOM 1327 CA MET A 81 -2.517 6.865 -10.953 1.00 0.00 C ATOM 1328 C MET A 81 -2.507 8.349 -11.327 1.00 0.00 C ATOM 1329 O MET A 81 -2.454 9.213 -10.475 1.00 0.00 O ATOM 1330 CB MET A 81 -2.255 6.716 -9.452 1.00 0.00 C ATOM 1331 CG MET A 81 -1.644 5.340 -9.175 1.00 0.00 C ATOM 1332 SD MET A 81 -1.660 5.021 -7.393 1.00 0.00 S ATOM 1333 CE MET A 81 -0.348 6.183 -6.944 1.00 0.00 C ATOM 0 H MET A 81 -0.619 6.701 -11.916 1.00 0.00 H new ATOM 0 HA MET A 81 -3.489 6.436 -11.197 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.580 7.501 -9.110 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.186 6.831 -8.896 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.208 4.568 -9.699 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.622 5.301 -9.553 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.022 5.946 -5.947 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.468 6.105 -7.662 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.743 7.199 -6.952 1.00 0.00 H new ATOM 1343 N THR A 82 -2.560 8.653 -12.596 1.00 0.00 N ATOM 1344 CA THR A 82 -2.553 10.081 -13.019 1.00 0.00 C ATOM 1345 C THR A 82 -3.048 10.189 -14.464 1.00 0.00 C ATOM 1346 O THR A 82 -2.521 10.947 -15.255 1.00 0.00 O ATOM 1347 CB THR A 82 -1.131 10.635 -12.925 1.00 0.00 C ATOM 1348 OG1 THR A 82 -1.158 12.042 -13.124 1.00 0.00 O ATOM 1349 CG2 THR A 82 -0.256 9.982 -13.996 1.00 0.00 C ATOM 0 H THR A 82 -2.608 7.975 -13.356 1.00 0.00 H new ATOM 0 HA THR A 82 -3.210 10.655 -12.366 1.00 0.00 H new ATOM 0 HB THR A 82 -0.719 10.416 -11.940 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.684 12.249 -13.925 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.758 10.377 -13.929 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.236 8.903 -13.841 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.665 10.199 -14.983 1.00 0.00 H new ATOM 1357 N ALA A 83 -4.055 9.438 -14.814 1.00 0.00 N ATOM 1358 CA ALA A 83 -4.581 9.499 -16.207 1.00 0.00 C ATOM 1359 C ALA A 83 -5.679 10.562 -16.292 1.00 0.00 C ATOM 1360 O ALA A 83 -6.692 10.372 -16.935 1.00 0.00 O ATOM 1361 CB ALA A 83 -5.160 8.137 -16.593 1.00 0.00 C ATOM 0 H ALA A 83 -4.537 8.785 -14.196 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.772 9.757 -16.890 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.545 8.181 -17.612 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.379 7.379 -16.533 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.969 7.879 -15.910 1.00 0.00 H new ATOM 1458 N ILE A 90 1.209 6.615 -21.911 1.00 0.00 N ATOM 1459 CA ILE A 90 0.210 5.695 -21.298 1.00 0.00 C ATOM 1460 C ILE A 90 -0.236 4.663 -22.335 1.00 0.00 C ATOM 1461 O ILE A 90 -0.061 3.475 -22.158 1.00 0.00 O ATOM 1462 CB ILE A 90 -1.002 6.500 -20.826 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -0.540 7.603 -19.870 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -1.979 5.575 -20.099 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -1.669 8.617 -19.675 1.00 0.00 C ATOM 0 HA ILE A 90 0.661 5.184 -20.447 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.498 6.947 -21.688 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.255 7.171 -18.911 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.344 8.100 -20.271 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.842 6.149 -19.763 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.308 4.788 -20.778 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.484 5.127 -19.238 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.339 9.402 -18.994 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.932 9.058 -20.637 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.541 8.115 -19.255 1.00 0.00 H new ATOM 1477 N GLN A 91 -0.813 5.109 -23.418 1.00 0.00 N ATOM 1478 CA GLN A 91 -1.271 4.152 -24.466 1.00 0.00 C ATOM 1479 C GLN A 91 -0.185 3.101 -24.706 1.00 0.00 C ATOM 1480 O GLN A 91 -0.385 1.925 -24.477 1.00 0.00 O ATOM 1481 CB GLN A 91 -1.541 4.912 -25.767 1.00 0.00 C ATOM 1482 CG GLN A 91 -2.742 4.289 -26.481 1.00 0.00 C ATOM 1483 CD GLN A 91 -3.989 5.134 -26.213 1.00 0.00 C ATOM 1484 OE1 GLN A 91 -3.909 6.178 -25.596 1.00 0.00 O ATOM 1485 NE2 GLN A 91 -5.147 4.725 -26.655 1.00 0.00 N ATOM 0 H GLN A 91 -0.987 6.093 -23.622 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.186 3.661 -24.135 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -1.736 5.963 -25.553 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.662 4.876 -26.411 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.552 4.232 -27.553 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.898 3.269 -26.130 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.215 3.849 -27.173 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.984 5.282 -26.483 1.00 0.00 H new ATOM 1494 N GLU A 92 0.964 3.515 -25.166 1.00 0.00 N ATOM 1495 CA GLU A 92 2.061 2.539 -25.420 1.00 0.00 C ATOM 1496 C GLU A 92 2.436 1.840 -24.112 1.00 0.00 C ATOM 1497 O GLU A 92 2.714 0.658 -24.086 1.00 0.00 O ATOM 1498 CB GLU A 92 3.282 3.277 -25.972 1.00 0.00 C ATOM 1499 CG GLU A 92 3.313 3.147 -27.495 1.00 0.00 C ATOM 1500 CD GLU A 92 4.398 2.148 -27.901 1.00 0.00 C ATOM 1501 OE1 GLU A 92 5.299 1.928 -27.108 1.00 0.00 O ATOM 1502 OE2 GLU A 92 4.311 1.621 -28.998 1.00 0.00 O ATOM 0 H GLU A 92 1.190 4.487 -25.377 1.00 0.00 H new ATOM 0 HA GLU A 92 1.726 1.797 -26.145 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.244 4.328 -25.687 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.195 2.863 -25.543 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.342 2.814 -27.862 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.510 4.118 -27.949 1.00 0.00 H new ATOM 1509 N SER A 93 2.445 2.561 -23.024 1.00 0.00 N ATOM 1510 CA SER A 93 2.803 1.937 -21.718 1.00 0.00 C ATOM 1511 C SER A 93 2.097 0.586 -21.589 1.00 0.00 C ATOM 1512 O SER A 93 2.559 -0.303 -20.900 1.00 0.00 O ATOM 1513 CB SER A 93 2.361 2.853 -20.577 1.00 0.00 C ATOM 1514 OG SER A 93 3.504 3.480 -20.010 1.00 0.00 O ATOM 0 H SER A 93 2.220 3.555 -22.983 1.00 0.00 H new ATOM 0 HA SER A 93 3.882 1.790 -21.669 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.665 3.606 -20.948 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.833 2.278 -19.817 1.00 0.00 H new ATOM 0 HG SER A 93 3.225 4.070 -19.279 1.00 0.00 H new ATOM 1520 N LYS A 94 0.980 0.422 -22.244 1.00 0.00 N ATOM 1521 CA LYS A 94 0.246 -0.871 -22.157 1.00 0.00 C ATOM 1522 C LYS A 94 1.195 -2.020 -22.503 1.00 0.00 C ATOM 1523 O LYS A 94 1.460 -2.886 -21.693 1.00 0.00 O ATOM 1524 CB LYS A 94 -0.924 -0.861 -23.142 1.00 0.00 C ATOM 1525 CG LYS A 94 -2.200 -1.303 -22.424 1.00 0.00 C ATOM 1526 CD LYS A 94 -3.321 -0.300 -22.709 1.00 0.00 C ATOM 1527 CE LYS A 94 -3.779 -0.446 -24.161 1.00 0.00 C ATOM 1528 NZ LYS A 94 -5.266 -0.542 -24.204 1.00 0.00 N ATOM 0 H LYS A 94 0.544 1.129 -22.836 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.134 -1.006 -21.144 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.055 0.138 -23.557 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.715 -1.528 -23.978 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.493 -2.297 -22.761 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.021 -1.369 -21.351 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.159 -0.473 -22.033 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.969 0.716 -22.528 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.442 0.408 -24.748 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.333 -1.335 -24.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.579 -0.641 -25.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.576 -1.370 -23.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.681 0.319 -23.794 1.00 0.00 H new ATOM 1542 N GLU A 95 1.710 -2.036 -23.703 1.00 0.00 N ATOM 1543 CA GLU A 95 2.640 -3.131 -24.100 1.00 0.00 C ATOM 1544 C GLU A 95 3.895 -3.077 -23.227 1.00 0.00 C ATOM 1545 O GLU A 95 4.469 -4.091 -22.884 1.00 0.00 O ATOM 1546 CB GLU A 95 3.033 -2.958 -25.569 1.00 0.00 C ATOM 1547 CG GLU A 95 3.257 -1.474 -25.867 1.00 0.00 C ATOM 1548 CD GLU A 95 4.155 -1.330 -27.096 1.00 0.00 C ATOM 1549 OE1 GLU A 95 5.359 -1.456 -26.944 1.00 0.00 O ATOM 1550 OE2 GLU A 95 3.625 -1.096 -28.170 1.00 0.00 O ATOM 0 H GLU A 95 1.527 -1.339 -24.425 1.00 0.00 H new ATOM 0 HA GLU A 95 2.146 -4.093 -23.966 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.940 -3.524 -25.783 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.250 -3.355 -26.215 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.302 -0.979 -26.042 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.717 -0.985 -25.008 1.00 0.00 H new ATOM 1557 N LEU A 96 4.326 -1.900 -22.864 1.00 0.00 N ATOM 1558 CA LEU A 96 5.544 -1.782 -22.013 1.00 0.00 C ATOM 1559 C LEU A 96 5.304 -2.487 -20.677 1.00 0.00 C ATOM 1560 O LEU A 96 6.229 -2.917 -20.016 1.00 0.00 O ATOM 1561 CB LEU A 96 5.852 -0.304 -21.763 1.00 0.00 C ATOM 1562 CG LEU A 96 6.567 0.283 -22.981 1.00 0.00 C ATOM 1563 CD1 LEU A 96 7.983 -0.288 -23.067 1.00 0.00 C ATOM 1564 CD2 LEU A 96 5.794 -0.083 -24.251 1.00 0.00 C ATOM 0 H LEU A 96 3.888 -1.015 -23.120 1.00 0.00 H new ATOM 0 HA LEU A 96 6.388 -2.247 -22.522 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.929 0.243 -21.572 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.476 -0.197 -20.876 1.00 0.00 H new ATOM 0 HG LEU A 96 6.617 1.367 -22.884 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.492 0.131 -23.935 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.535 -0.030 -22.163 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.933 -1.373 -23.164 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.303 0.335 -25.120 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.744 -1.168 -24.347 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.784 0.323 -24.192 1.00 0.00 H new ATOM 1576 N GLY A 97 4.069 -2.610 -20.274 1.00 0.00 N ATOM 1577 CA GLY A 97 3.772 -3.287 -18.980 1.00 0.00 C ATOM 1578 C GLY A 97 2.837 -2.412 -18.146 1.00 0.00 C ATOM 1579 O GLY A 97 3.010 -2.264 -16.952 1.00 0.00 O ATOM 0 H GLY A 97 3.253 -2.271 -20.784 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.311 -4.258 -19.163 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.697 -3.472 -18.434 1.00 0.00 H new ATOM 1583 N ALA A 98 1.846 -1.829 -18.764 1.00 0.00 N ATOM 1584 CA ALA A 98 0.900 -0.964 -18.003 1.00 0.00 C ATOM 1585 C ALA A 98 -0.484 -1.615 -17.985 1.00 0.00 C ATOM 1586 O ALA A 98 -1.156 -1.697 -18.993 1.00 0.00 O ATOM 1587 CB ALA A 98 0.810 0.407 -18.678 1.00 0.00 C ATOM 0 H ALA A 98 1.651 -1.914 -19.762 1.00 0.00 H new ATOM 0 HA ALA A 98 1.258 -0.844 -16.980 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.119 1.041 -18.123 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.796 0.871 -18.692 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.451 0.286 -19.700 1.00 0.00 H new ATOM 1593 N LEU A 99 -0.916 -2.081 -16.845 1.00 0.00 N ATOM 1594 CA LEU A 99 -2.256 -2.726 -16.763 1.00 0.00 C ATOM 1595 C LEU A 99 -3.346 -1.657 -16.857 1.00 0.00 C ATOM 1596 O LEU A 99 -4.029 -1.539 -17.854 1.00 0.00 O ATOM 1597 CB LEU A 99 -2.384 -3.469 -15.431 1.00 0.00 C ATOM 1598 CG LEU A 99 -1.155 -4.352 -15.218 1.00 0.00 C ATOM 1599 CD1 LEU A 99 -0.848 -4.447 -13.722 1.00 0.00 C ATOM 1600 CD2 LEU A 99 -1.431 -5.752 -15.770 1.00 0.00 C ATOM 0 H LEU A 99 -0.398 -2.043 -15.967 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.369 -3.432 -17.586 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.478 -2.756 -14.612 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.288 -4.079 -15.428 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.301 -3.917 -15.738 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.029 -5.077 -13.570 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.652 -3.450 -13.327 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.702 -4.882 -13.202 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.555 -6.382 -15.618 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.285 -6.186 -15.250 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.650 -5.686 -16.836 1.00 0.00 H new ATOM 1612 N THR A 100 -3.514 -0.875 -15.825 1.00 0.00 N ATOM 1613 CA THR A 100 -4.561 0.184 -15.858 1.00 0.00 C ATOM 1614 C THR A 100 -3.952 1.518 -15.421 1.00 0.00 C ATOM 1615 O THR A 100 -3.057 1.565 -14.602 1.00 0.00 O ATOM 1616 CB THR A 100 -5.699 -0.193 -14.906 1.00 0.00 C ATOM 1617 OG1 THR A 100 -6.803 0.673 -15.124 1.00 0.00 O ATOM 1618 CG2 THR A 100 -5.221 -0.060 -13.459 1.00 0.00 C ATOM 0 H THR A 100 -2.972 -0.924 -14.962 1.00 0.00 H new ATOM 0 HA THR A 100 -4.951 0.277 -16.872 1.00 0.00 H new ATOM 0 HB THR A 100 -6.003 -1.223 -15.092 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.533 0.432 -14.516 1.00 0.00 H new ATOM 0 HG21 THR A 100 -6.032 -0.329 -12.782 1.00 0.00 H new ATOM 0 HG22 THR A 100 -4.374 -0.726 -13.293 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.916 0.969 -13.270 1.00 0.00 H new ATOM 1626 N HIS A 101 -4.433 2.604 -15.963 1.00 0.00 N ATOM 1627 CA HIS A 101 -3.885 3.935 -15.580 1.00 0.00 C ATOM 1628 C HIS A 101 -4.942 4.710 -14.790 1.00 0.00 C ATOM 1629 O HIS A 101 -5.737 5.440 -15.348 1.00 0.00 O ATOM 1630 CB HIS A 101 -3.518 4.715 -16.844 1.00 0.00 C ATOM 1631 CG HIS A 101 -2.725 5.937 -16.470 1.00 0.00 C ATOM 1632 ND1 HIS A 101 -1.577 6.311 -17.152 1.00 0.00 N ATOM 1633 CD2 HIS A 101 -2.901 6.880 -15.489 1.00 0.00 C ATOM 1634 CE1 HIS A 101 -1.113 7.434 -16.578 1.00 0.00 C ATOM 1635 NE2 HIS A 101 -1.882 7.825 -15.558 1.00 0.00 N ATOM 0 H HIS A 101 -5.182 2.626 -16.655 1.00 0.00 H new ATOM 0 HA HIS A 101 -2.996 3.802 -14.964 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.937 4.084 -17.517 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.422 5.005 -17.380 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -1.161 5.823 -17.945 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.708 6.888 -14.772 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -0.226 7.957 -16.902 1.00 0.00 H new ATOM 1643 N PHE A 102 -4.958 4.557 -13.493 1.00 0.00 N ATOM 1644 CA PHE A 102 -5.965 5.284 -12.668 1.00 0.00 C ATOM 1645 C PHE A 102 -5.652 6.781 -12.681 1.00 0.00 C ATOM 1646 O PHE A 102 -4.521 7.187 -12.857 1.00 0.00 O ATOM 1647 CB PHE A 102 -5.918 4.764 -11.230 1.00 0.00 C ATOM 1648 CG PHE A 102 -6.641 3.442 -11.148 1.00 0.00 C ATOM 1649 CD1 PHE A 102 -8.010 3.374 -11.432 1.00 0.00 C ATOM 1650 CD2 PHE A 102 -5.942 2.283 -10.787 1.00 0.00 C ATOM 1651 CE1 PHE A 102 -8.681 2.147 -11.356 1.00 0.00 C ATOM 1652 CE2 PHE A 102 -6.613 1.057 -10.709 1.00 0.00 C ATOM 1653 CZ PHE A 102 -7.982 0.989 -10.994 1.00 0.00 C ATOM 0 H PHE A 102 -4.317 3.960 -12.970 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.960 5.119 -13.081 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.883 4.645 -10.909 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.380 5.485 -10.556 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.549 4.268 -11.710 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -4.886 2.335 -10.569 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -9.737 2.094 -11.576 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.075 0.164 -10.429 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.499 0.043 -10.935 1.00 0.00 H new ATOM 1663 N ALA A 103 -6.646 7.606 -12.495 1.00 0.00 N ATOM 1664 CA ALA A 103 -6.402 9.076 -12.495 1.00 0.00 C ATOM 1665 C ALA A 103 -7.234 9.731 -11.391 1.00 0.00 C ATOM 1666 O ALA A 103 -8.282 9.243 -11.017 1.00 0.00 O ATOM 1667 CB ALA A 103 -6.805 9.659 -13.851 1.00 0.00 C ATOM 0 H ALA A 103 -7.615 7.326 -12.343 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.344 9.269 -12.316 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.627 10.734 -13.852 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.213 9.192 -14.638 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.863 9.466 -14.030 1.00 0.00 H new ATOM 1673 N LYS A 104 -6.776 10.836 -10.867 1.00 0.00 N ATOM 1674 CA LYS A 104 -7.542 11.523 -9.788 1.00 0.00 C ATOM 1675 C LYS A 104 -8.597 12.438 -10.418 1.00 0.00 C ATOM 1676 O LYS A 104 -8.344 13.066 -11.426 1.00 0.00 O ATOM 1677 CB LYS A 104 -6.581 12.357 -8.937 1.00 0.00 C ATOM 1678 CG LYS A 104 -7.378 13.200 -7.940 1.00 0.00 C ATOM 1679 CD LYS A 104 -6.488 14.317 -7.389 1.00 0.00 C ATOM 1680 CE LYS A 104 -7.191 14.997 -6.213 1.00 0.00 C ATOM 1681 NZ LYS A 104 -8.189 15.975 -6.729 1.00 0.00 N ATOM 0 H LYS A 104 -5.905 11.292 -11.139 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.035 10.782 -9.158 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.890 11.703 -8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -5.980 13.003 -9.577 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.255 13.626 -8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -7.740 12.573 -7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.531 13.908 -7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -6.276 15.046 -8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -7.685 14.251 -5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.461 15.505 -5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -8.667 16.438 -5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.706 16.693 -7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.892 15.478 -7.313 1.00 0.00 H new ATOM 1695 N PRO A 105 -9.753 12.487 -9.803 1.00 0.00 N ATOM 1696 CA PRO A 105 -10.054 11.722 -8.578 1.00 0.00 C ATOM 1697 C PRO A 105 -10.348 10.259 -8.922 1.00 0.00 C ATOM 1698 O PRO A 105 -11.041 9.963 -9.874 1.00 0.00 O ATOM 1699 CB PRO A 105 -11.299 12.414 -8.019 1.00 0.00 C ATOM 1700 CG PRO A 105 -11.964 13.142 -9.210 1.00 0.00 C ATOM 1701 CD PRO A 105 -10.872 13.322 -10.282 1.00 0.00 C ATOM 0 HA PRO A 105 -9.228 11.706 -7.867 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.982 11.688 -7.577 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -11.031 13.120 -7.233 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -12.799 12.561 -9.602 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -12.365 14.107 -8.899 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -11.220 12.998 -11.263 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -10.577 14.367 -10.378 1.00 0.00 H new ATOM 1709 N PHE A 106 -9.828 9.342 -8.152 1.00 0.00 N ATOM 1710 CA PHE A 106 -10.079 7.901 -8.434 1.00 0.00 C ATOM 1711 C PHE A 106 -10.897 7.293 -7.294 1.00 0.00 C ATOM 1712 O PHE A 106 -11.397 7.992 -6.435 1.00 0.00 O ATOM 1713 CB PHE A 106 -8.743 7.165 -8.552 1.00 0.00 C ATOM 1714 CG PHE A 106 -7.751 7.761 -7.582 1.00 0.00 C ATOM 1715 CD1 PHE A 106 -7.884 7.520 -6.209 1.00 0.00 C ATOM 1716 CD2 PHE A 106 -6.699 8.554 -8.055 1.00 0.00 C ATOM 1717 CE1 PHE A 106 -6.964 8.073 -5.309 1.00 0.00 C ATOM 1718 CE2 PHE A 106 -5.780 9.107 -7.155 1.00 0.00 C ATOM 1719 CZ PHE A 106 -5.912 8.866 -5.782 1.00 0.00 C ATOM 0 H PHE A 106 -9.240 9.529 -7.340 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.631 7.804 -9.369 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.880 6.104 -8.342 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.362 7.242 -9.571 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.696 6.908 -5.844 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -6.596 8.739 -9.114 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.066 7.887 -4.250 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -4.969 9.720 -7.520 1.00 0.00 H new ATOM 0 HZ PHE A 106 -5.202 9.292 -5.088 1.00 0.00 H new ATOM 1729 N ASP A 107 -11.038 5.996 -7.278 1.00 0.00 N ATOM 1730 CA ASP A 107 -11.826 5.345 -6.193 1.00 0.00 C ATOM 1731 C ASP A 107 -11.011 4.199 -5.590 1.00 0.00 C ATOM 1732 O ASP A 107 -10.626 3.271 -6.272 1.00 0.00 O ATOM 1733 CB ASP A 107 -13.131 4.794 -6.770 1.00 0.00 C ATOM 1734 CG ASP A 107 -14.116 4.518 -5.632 1.00 0.00 C ATOM 1735 OD1 ASP A 107 -13.672 4.426 -4.501 1.00 0.00 O ATOM 1736 OD2 ASP A 107 -15.297 4.403 -5.913 1.00 0.00 O ATOM 0 H ASP A 107 -10.642 5.359 -7.969 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.053 6.078 -5.418 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.561 5.508 -7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -12.936 3.878 -7.327 1.00 0.00 H new ATOM 1741 N ILE A 108 -10.745 4.256 -4.312 1.00 0.00 N ATOM 1742 CA ILE A 108 -9.956 3.170 -3.668 1.00 0.00 C ATOM 1743 C ILE A 108 -10.555 1.813 -4.041 1.00 0.00 C ATOM 1744 O ILE A 108 -9.861 0.819 -4.128 1.00 0.00 O ATOM 1745 CB ILE A 108 -9.995 3.344 -2.147 1.00 0.00 C ATOM 1746 CG1 ILE A 108 -9.157 4.563 -1.754 1.00 0.00 C ATOM 1747 CG2 ILE A 108 -9.423 2.095 -1.475 1.00 0.00 C ATOM 1748 CD1 ILE A 108 -7.727 4.387 -2.268 1.00 0.00 C ATOM 0 H ILE A 108 -11.040 5.007 -3.688 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.923 3.218 -4.013 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.026 3.490 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.596 5.469 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.153 4.681 -0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.451 2.219 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -10.018 1.226 -1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.392 1.948 -1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.130 5.255 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.290 3.490 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.740 4.290 -3.354 1.00 0.00 H new ATOM 1760 N ASP A 109 -11.841 1.762 -4.262 1.00 0.00 N ATOM 1761 CA ASP A 109 -12.484 0.469 -4.629 1.00 0.00 C ATOM 1762 C ASP A 109 -11.985 0.025 -6.005 1.00 0.00 C ATOM 1763 O ASP A 109 -11.694 -1.133 -6.226 1.00 0.00 O ATOM 1764 CB ASP A 109 -14.003 0.648 -4.670 1.00 0.00 C ATOM 1765 CG ASP A 109 -14.512 1.008 -3.273 1.00 0.00 C ATOM 1766 OD1 ASP A 109 -14.527 0.132 -2.424 1.00 0.00 O ATOM 1767 OD2 ASP A 109 -14.880 2.155 -3.076 1.00 0.00 O ATOM 0 H ASP A 109 -12.473 2.560 -4.204 1.00 0.00 H new ATOM 0 HA ASP A 109 -12.228 -0.288 -3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.268 1.432 -5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.479 -0.269 -5.017 1.00 0.00 H new ATOM 1772 N GLU A 110 -11.886 0.938 -6.933 1.00 0.00 N ATOM 1773 CA GLU A 110 -11.406 0.568 -8.294 1.00 0.00 C ATOM 1774 C GLU A 110 -9.945 0.119 -8.215 1.00 0.00 C ATOM 1775 O GLU A 110 -9.518 -0.765 -8.931 1.00 0.00 O ATOM 1776 CB GLU A 110 -11.518 1.779 -9.222 1.00 0.00 C ATOM 1777 CG GLU A 110 -12.822 1.693 -10.018 1.00 0.00 C ATOM 1778 CD GLU A 110 -12.668 2.460 -11.334 1.00 0.00 C ATOM 1779 OE1 GLU A 110 -12.318 3.627 -11.278 1.00 0.00 O ATOM 1780 OE2 GLU A 110 -12.903 1.866 -12.374 1.00 0.00 O ATOM 0 H GLU A 110 -12.117 1.924 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.016 -0.246 -8.685 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -11.495 2.700 -8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.666 1.810 -9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -13.070 0.651 -10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -13.644 2.110 -9.436 1.00 0.00 H new ATOM 1787 N ILE A 111 -9.176 0.722 -7.351 1.00 0.00 N ATOM 1788 CA ILE A 111 -7.744 0.330 -7.227 1.00 0.00 C ATOM 1789 C ILE A 111 -7.651 -1.110 -6.719 1.00 0.00 C ATOM 1790 O ILE A 111 -7.108 -1.976 -7.374 1.00 0.00 O ATOM 1791 CB ILE A 111 -7.042 1.266 -6.241 1.00 0.00 C ATOM 1792 CG1 ILE A 111 -7.284 2.719 -6.659 1.00 0.00 C ATOM 1793 CG2 ILE A 111 -5.540 0.979 -6.245 1.00 0.00 C ATOM 1794 CD1 ILE A 111 -6.524 3.010 -7.956 1.00 0.00 C ATOM 0 H ILE A 111 -9.477 1.469 -6.726 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.262 0.403 -8.202 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.440 1.103 -5.239 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -8.350 2.895 -6.802 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.953 3.395 -5.871 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.040 1.646 -5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.366 -0.056 -5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.141 1.142 -7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.696 4.044 -8.254 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.458 2.851 -7.796 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.877 2.342 -8.742 1.00 0.00 H new ATOM 1806 N ARG A 112 -8.177 -1.371 -5.553 1.00 0.00 N ATOM 1807 CA ARG A 112 -8.119 -2.755 -5.004 1.00 0.00 C ATOM 1808 C ARG A 112 -8.767 -3.724 -5.994 1.00 0.00 C ATOM 1809 O ARG A 112 -8.398 -4.880 -6.078 1.00 0.00 O ATOM 1810 CB ARG A 112 -8.871 -2.807 -3.672 1.00 0.00 C ATOM 1811 CG ARG A 112 -10.360 -2.559 -3.916 1.00 0.00 C ATOM 1812 CD ARG A 112 -11.081 -2.420 -2.574 1.00 0.00 C ATOM 1813 NE ARG A 112 -12.121 -3.482 -2.458 1.00 0.00 N ATOM 1814 CZ ARG A 112 -13.021 -3.418 -1.514 1.00 0.00 C ATOM 1815 NH1 ARG A 112 -13.015 -2.424 -0.666 1.00 0.00 N ATOM 1816 NH2 ARG A 112 -13.929 -4.350 -1.416 1.00 0.00 N ATOM 0 H ARG A 112 -8.644 -0.686 -4.958 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.079 -3.040 -4.845 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -8.726 -3.778 -3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -8.474 -2.056 -2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.496 -1.655 -4.509 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -10.788 -3.383 -4.487 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -10.367 -2.504 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.541 -1.435 -2.496 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.130 -4.260 -3.117 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.306 -1.695 -0.740 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -13.720 -2.377 0.070 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -13.935 -5.127 -2.076 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -14.633 -4.301 -0.679 1.00 0.00 H new ATOM 1830 N ASP A 113 -9.731 -3.265 -6.743 1.00 0.00 N ATOM 1831 CA ASP A 113 -10.402 -4.162 -7.727 1.00 0.00 C ATOM 1832 C ASP A 113 -9.386 -4.622 -8.773 1.00 0.00 C ATOM 1833 O ASP A 113 -9.200 -5.802 -8.996 1.00 0.00 O ATOM 1834 CB ASP A 113 -11.537 -3.403 -8.417 1.00 0.00 C ATOM 1835 CG ASP A 113 -12.760 -3.366 -7.499 1.00 0.00 C ATOM 1836 OD1 ASP A 113 -12.611 -3.693 -6.333 1.00 0.00 O ATOM 1837 OD2 ASP A 113 -13.826 -3.014 -7.977 1.00 0.00 O ATOM 0 H ASP A 113 -10.083 -2.308 -6.717 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.808 -5.031 -7.209 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.218 -2.389 -8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -11.792 -3.887 -9.360 1.00 0.00 H new ATOM 1842 N ALA A 114 -8.725 -3.700 -9.419 1.00 0.00 N ATOM 1843 CA ALA A 114 -7.721 -4.085 -10.450 1.00 0.00 C ATOM 1844 C ALA A 114 -6.628 -4.937 -9.804 1.00 0.00 C ATOM 1845 O ALA A 114 -6.069 -5.821 -10.423 1.00 0.00 O ATOM 1846 CB ALA A 114 -7.098 -2.824 -11.051 1.00 0.00 C ATOM 0 H ALA A 114 -8.837 -2.696 -9.277 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.210 -4.659 -11.237 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.363 -3.105 -11.805 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -7.877 -2.217 -11.512 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.609 -2.250 -10.264 1.00 0.00 H new ATOM 1852 N VAL A 115 -6.317 -4.679 -8.563 1.00 0.00 N ATOM 1853 CA VAL A 115 -5.260 -5.475 -7.878 1.00 0.00 C ATOM 1854 C VAL A 115 -5.745 -6.915 -7.693 1.00 0.00 C ATOM 1855 O VAL A 115 -4.976 -7.853 -7.767 1.00 0.00 O ATOM 1856 CB VAL A 115 -4.963 -4.858 -6.511 1.00 0.00 C ATOM 1857 CG1 VAL A 115 -4.051 -5.793 -5.715 1.00 0.00 C ATOM 1858 CG2 VAL A 115 -4.265 -3.509 -6.703 1.00 0.00 C ATOM 0 H VAL A 115 -6.749 -3.951 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.353 -5.472 -8.483 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.897 -4.712 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.840 -5.353 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.546 -6.755 -5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.117 -5.939 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.052 -3.067 -5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.332 -3.656 -7.246 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.913 -2.841 -7.270 1.00 0.00 H new ATOM 1868 N LYS A 116 -7.014 -7.097 -7.453 1.00 0.00 N ATOM 1869 CA LYS A 116 -7.547 -8.476 -7.264 1.00 0.00 C ATOM 1870 C LYS A 116 -7.644 -9.176 -8.620 1.00 0.00 C ATOM 1871 O LYS A 116 -7.520 -10.381 -8.718 1.00 0.00 O ATOM 1872 CB LYS A 116 -8.936 -8.403 -6.627 1.00 0.00 C ATOM 1873 CG LYS A 116 -8.796 -8.192 -5.117 1.00 0.00 C ATOM 1874 CD LYS A 116 -9.460 -9.354 -4.376 1.00 0.00 C ATOM 1875 CE LYS A 116 -10.211 -8.819 -3.155 1.00 0.00 C ATOM 1876 NZ LYS A 116 -10.060 -9.775 -2.022 1.00 0.00 N ATOM 0 H LYS A 116 -7.705 -6.351 -7.380 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.878 -9.038 -6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -9.507 -7.586 -7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -9.488 -9.321 -6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.743 -8.127 -4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -9.259 -7.249 -4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -10.149 -9.876 -5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.707 -10.078 -4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.821 -7.841 -2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -11.266 -8.685 -3.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -10.570 -9.412 -1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -10.452 -10.699 -2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -9.052 -9.882 -1.790 1.00 0.00 H new ATOM 1890 N LYS A 117 -7.865 -8.431 -9.669 1.00 0.00 N ATOM 1891 CA LYS A 117 -7.970 -9.055 -11.018 1.00 0.00 C ATOM 1892 C LYS A 117 -6.575 -9.457 -11.504 1.00 0.00 C ATOM 1893 O LYS A 117 -6.407 -10.447 -12.187 1.00 0.00 O ATOM 1894 CB LYS A 117 -8.580 -8.051 -11.997 1.00 0.00 C ATOM 1895 CG LYS A 117 -9.537 -8.779 -12.945 1.00 0.00 C ATOM 1896 CD LYS A 117 -9.167 -8.452 -14.393 1.00 0.00 C ATOM 1897 CE LYS A 117 -10.050 -9.265 -15.342 1.00 0.00 C ATOM 1898 NZ LYS A 117 -10.323 -8.468 -16.572 1.00 0.00 N ATOM 0 H LYS A 117 -7.977 -7.417 -9.650 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.604 -9.940 -10.961 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.114 -7.273 -11.451 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -7.792 -7.558 -12.566 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.482 -9.855 -12.779 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -10.565 -8.477 -12.744 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -9.298 -7.386 -14.581 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -8.116 -8.681 -14.571 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -9.556 -10.200 -15.604 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.987 -9.527 -14.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -10.923 -9.020 -17.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -10.812 -7.587 -16.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -9.425 -8.240 -17.044 1.00 0.00 H new ATOM 1912 N TYR A 118 -5.574 -8.695 -11.157 1.00 0.00 N ATOM 1913 CA TYR A 118 -4.192 -9.035 -11.600 1.00 0.00 C ATOM 1914 C TYR A 118 -3.532 -9.943 -10.560 1.00 0.00 C ATOM 1915 O TYR A 118 -3.235 -11.092 -10.825 1.00 0.00 O ATOM 1916 CB TYR A 118 -3.374 -7.751 -11.748 1.00 0.00 C ATOM 1917 CG TYR A 118 -4.026 -6.853 -12.772 1.00 0.00 C ATOM 1918 CD1 TYR A 118 -4.211 -7.306 -14.083 1.00 0.00 C ATOM 1919 CD2 TYR A 118 -4.446 -5.567 -12.409 1.00 0.00 C ATOM 1920 CE1 TYR A 118 -4.816 -6.473 -15.033 1.00 0.00 C ATOM 1921 CE2 TYR A 118 -5.051 -4.735 -13.359 1.00 0.00 C ATOM 1922 CZ TYR A 118 -5.236 -5.188 -14.671 1.00 0.00 C ATOM 1923 OH TYR A 118 -5.833 -4.368 -15.606 1.00 0.00 O ATOM 0 H TYR A 118 -5.653 -7.853 -10.587 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.234 -9.552 -12.559 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.307 -7.238 -10.789 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.355 -7.989 -12.054 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -3.887 -8.298 -14.362 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.303 -5.217 -11.397 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.958 -6.822 -16.045 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.375 -3.743 -13.080 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.065 -3.512 -15.190 1.00 0.00 H new ATOM 1933 N LEU A 119 -3.299 -9.438 -9.380 1.00 0.00 N ATOM 1934 CA LEU A 119 -2.659 -10.271 -8.324 1.00 0.00 C ATOM 1935 C LEU A 119 -3.744 -10.995 -7.516 1.00 0.00 C ATOM 1936 O LEU A 119 -4.501 -10.363 -6.805 1.00 0.00 O ATOM 1937 CB LEU A 119 -1.850 -9.368 -7.388 1.00 0.00 C ATOM 1938 CG LEU A 119 -1.206 -10.216 -6.291 1.00 0.00 C ATOM 1939 CD1 LEU A 119 0.273 -9.845 -6.160 1.00 0.00 C ATOM 1940 CD2 LEU A 119 -1.917 -9.950 -4.961 1.00 0.00 C ATOM 0 H LEU A 119 -3.525 -8.483 -9.101 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.000 -11.004 -8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.082 -8.838 -7.951 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.498 -8.612 -6.945 1.00 0.00 H new ATOM 0 HG LEU A 119 -1.294 -11.272 -6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.732 -10.450 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.780 -10.031 -7.107 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.362 -8.790 -5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.460 -10.554 -4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.827 -8.894 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -2.971 -10.213 -5.053 1.00 0.00 H new ATOM 1952 N PRO A 120 -3.792 -12.299 -7.646 1.00 0.00 N ATOM 1953 CA PRO A 120 -4.781 -13.127 -6.933 1.00 0.00 C ATOM 1954 C PRO A 120 -4.360 -13.323 -5.473 1.00 0.00 C ATOM 1955 O PRO A 120 -3.225 -13.088 -5.108 1.00 0.00 O ATOM 1956 CB PRO A 120 -4.751 -14.456 -7.693 1.00 0.00 C ATOM 1957 CG PRO A 120 -3.382 -14.517 -8.411 1.00 0.00 C ATOM 1958 CD PRO A 120 -2.872 -13.067 -8.510 1.00 0.00 C ATOM 0 HA PRO A 120 -5.775 -12.680 -6.905 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -4.869 -15.297 -7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -5.569 -14.511 -8.411 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -2.680 -15.138 -7.854 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -3.483 -14.961 -9.401 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -1.841 -12.983 -8.167 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -2.896 -12.706 -9.538 1.00 0.00 H new ATOM 1966 N LEU A 121 -5.265 -13.752 -4.638 1.00 0.00 N ATOM 1967 CA LEU A 121 -4.917 -13.962 -3.205 1.00 0.00 C ATOM 1968 C LEU A 121 -5.798 -15.069 -2.623 1.00 0.00 C ATOM 1969 O LEU A 121 -6.927 -14.839 -2.240 1.00 0.00 O ATOM 1970 CB LEU A 121 -5.148 -12.665 -2.427 1.00 0.00 C ATOM 1971 CG LEU A 121 -4.534 -12.789 -1.032 1.00 0.00 C ATOM 1972 CD1 LEU A 121 -3.225 -11.997 -0.978 1.00 0.00 C ATOM 1973 CD2 LEU A 121 -5.510 -12.231 0.005 1.00 0.00 C ATOM 0 H LEU A 121 -6.231 -13.966 -4.886 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.869 -14.251 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.701 -11.825 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -6.216 -12.461 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.333 -13.838 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.787 -12.085 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.529 -12.393 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.425 -10.948 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -5.073 -12.319 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -5.711 -11.182 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -6.442 -12.794 -0.033 1.00 0.00 H new