USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 804 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0 (180deg=-0.0585) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 94:sc= 1.28 USER MOD Single : A 19 CYS SG : rot 6:sc= -1.33! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -56:sc= 0.151 USER MOD Single : A 27 HIS : no HE2:sc= -0.278 K(o=-0.28,f=-5.8!) USER MOD Single : A 28 LYS NZ :NH3+ 153:sc= 0.973 (180deg=-0.267!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0.229! (180deg=0.0818!) USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= 1.21 (180deg=1.1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= -0.0127 (180deg=-0.105) USER MOD Single : A 46 LYS NZ :NH3+ 148:sc= 1.13 (180deg=0.237) USER MOD Single : A 53 GLN : amide:sc= -3.11! C(o=-3.1!,f=-3!) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= -0.162 (180deg=-0.314!) USER MOD Single : A 56 SER OG : rot -136:sc= 1.23 USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= 1.05 (180deg=0.819) USER MOD Single : A 69 GLN : amide:sc= -0.221 K(o=-0.22,f=-0.88) USER MOD Single : A 70 ASN : amide:sc= -0.063 K(o=-0.063,f=-1) USER MOD Single : A 72 SER OG : rot 180:sc= -0.219 USER MOD Single : A 79 SER OG : rot 68:sc= 0.591 USER MOD Single : A 83 THR OG1 : rot -105:sc= 0.102 USER MOD Single : A 84 LYS NZ :NH3+ 168:sc=-0.00547 (180deg=-0.145) USER MOD Single : A 88 LYS NZ :NH3+ 160:sc= -0.107 (180deg=-0.527) USER MOD Single : A 92 SER OG : rot 29:sc= 0.728 USER MOD Single : A 97 LYS NZ :NH3+ 166:sc= -0.0366 (180deg=-0.224) USER MOD Single : A 106 MET CE :methyl -116:sc= -1.2 (180deg=-5.44!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.094 8.898 -6.513 1.00 0.00 N ATOM 2 CA MET A 1 -16.083 10.126 -5.683 1.00 0.00 C ATOM 3 C MET A 1 -16.653 9.836 -4.301 1.00 0.00 C ATOM 4 O MET A 1 -17.679 10.391 -3.912 1.00 0.00 O ATOM 5 CB MET A 1 -16.891 11.240 -6.359 1.00 0.00 C ATOM 6 CG MET A 1 -16.281 11.742 -7.658 1.00 0.00 C ATOM 7 SD MET A 1 -17.239 13.070 -8.408 1.00 0.00 S ATOM 8 CE MET A 1 -16.250 13.415 -9.860 1.00 0.00 C ATOM 0 H1 MET A 1 -15.171 8.786 -6.980 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.279 8.072 -5.909 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.840 8.973 -7.234 1.00 0.00 H new ATOM 0 HA MET A 1 -15.050 10.458 -5.577 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.898 10.875 -6.559 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.987 12.077 -5.667 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.267 12.094 -7.466 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.203 10.914 -8.362 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.713 14.219 -10.433 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.248 13.717 -9.555 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.186 12.519 -10.478 1.00 0.00 H new ATOM 20 N ALA A 2 -15.986 8.959 -3.560 1.00 0.00 N ATOM 21 CA ALA A 2 -16.449 8.567 -2.239 1.00 0.00 C ATOM 22 C ALA A 2 -15.276 8.220 -1.338 1.00 0.00 C ATOM 23 O ALA A 2 -14.411 7.431 -1.715 1.00 0.00 O ATOM 24 CB ALA A 2 -17.402 7.385 -2.339 1.00 0.00 C ATOM 0 H ALA A 2 -15.121 8.506 -3.855 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.982 9.411 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.739 7.104 -1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.262 7.662 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.888 6.541 -2.799 1.00 0.00 H new ATOM 30 N PHE A 3 -15.246 8.815 -0.156 1.00 0.00 N ATOM 31 CA PHE A 3 -14.200 8.535 0.815 1.00 0.00 C ATOM 32 C PHE A 3 -14.720 8.779 2.229 1.00 0.00 C ATOM 33 O PHE A 3 -15.242 9.852 2.539 1.00 0.00 O ATOM 34 CB PHE A 3 -12.943 9.378 0.531 1.00 0.00 C ATOM 35 CG PHE A 3 -13.137 10.868 0.646 1.00 0.00 C ATOM 36 CD1 PHE A 3 -13.854 11.567 -0.313 1.00 0.00 C ATOM 37 CD2 PHE A 3 -12.591 11.566 1.711 1.00 0.00 C ATOM 38 CE1 PHE A 3 -14.023 12.934 -0.210 1.00 0.00 C ATOM 39 CE2 PHE A 3 -12.758 12.932 1.819 1.00 0.00 C ATOM 40 CZ PHE A 3 -13.474 13.617 0.859 1.00 0.00 C ATOM 0 H PHE A 3 -15.937 9.498 0.155 1.00 0.00 H new ATOM 0 HA PHE A 3 -13.916 7.486 0.728 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.156 9.075 1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -12.590 9.149 -0.474 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -14.285 11.037 -1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -12.029 11.035 2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -14.583 13.468 -0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.328 13.464 2.655 1.00 0.00 H new ATOM 0 HZ PHE A 3 -13.605 14.686 0.943 1.00 0.00 H new ATOM 50 N ALA A 4 -14.591 7.768 3.077 1.00 0.00 N ATOM 51 CA ALA A 4 -15.108 7.836 4.440 1.00 0.00 C ATOM 52 C ALA A 4 -14.188 8.639 5.357 1.00 0.00 C ATOM 53 O ALA A 4 -14.555 8.971 6.485 1.00 0.00 O ATOM 54 CB ALA A 4 -15.304 6.432 4.990 1.00 0.00 C ATOM 0 H ALA A 4 -14.131 6.887 2.846 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.068 8.351 4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -15.690 6.490 6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -16.013 5.891 4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -14.349 5.906 4.994 1.00 0.00 H new ATOM 60 N GLY A 5 -12.994 8.945 4.871 1.00 0.00 N ATOM 61 CA GLY A 5 -12.034 9.679 5.673 1.00 0.00 C ATOM 62 C GLY A 5 -10.820 8.842 6.006 1.00 0.00 C ATOM 63 O GLY A 5 -9.738 9.375 6.256 1.00 0.00 O ATOM 0 H GLY A 5 -12.672 8.698 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.721 10.574 5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.510 10.011 6.596 1.00 0.00 H new ATOM 67 N ILE A 6 -11.010 7.524 6.017 1.00 0.00 N ATOM 68 CA ILE A 6 -9.906 6.587 6.192 1.00 0.00 C ATOM 69 C ILE A 6 -8.827 6.884 5.162 1.00 0.00 C ATOM 70 O ILE A 6 -7.656 7.073 5.496 1.00 0.00 O ATOM 71 CB ILE A 6 -10.380 5.125 6.032 1.00 0.00 C ATOM 72 CG1 ILE A 6 -11.388 4.771 7.127 1.00 0.00 C ATOM 73 CG2 ILE A 6 -9.197 4.167 6.055 1.00 0.00 C ATOM 74 CD1 ILE A 6 -11.897 3.347 7.050 1.00 0.00 C ATOM 0 H ILE A 6 -11.922 7.081 5.906 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.510 6.708 7.200 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.873 5.026 5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -10.924 4.929 8.100 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -12.235 5.454 7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.555 3.144 5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.518 4.407 5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.670 4.263 7.004 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.607 3.170 7.858 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.391 3.189 6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.060 2.656 7.145 1.00 0.00 H new ATOM 86 N LEU A 7 -9.245 6.950 3.914 1.00 0.00 N ATOM 87 CA LEU A 7 -8.369 7.355 2.839 1.00 0.00 C ATOM 88 C LEU A 7 -8.935 8.600 2.169 1.00 0.00 C ATOM 89 O LEU A 7 -10.145 8.722 1.982 1.00 0.00 O ATOM 90 CB LEU A 7 -8.121 6.199 1.830 1.00 0.00 C ATOM 91 CG LEU A 7 -9.283 5.723 0.914 1.00 0.00 C ATOM 92 CD1 LEU A 7 -10.577 5.498 1.681 1.00 0.00 C ATOM 93 CD2 LEU A 7 -9.504 6.679 -0.254 1.00 0.00 C ATOM 0 H LEU A 7 -10.196 6.726 3.620 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.391 7.602 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.297 6.501 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.779 5.335 2.400 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.978 4.757 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.355 5.167 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.420 4.736 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.885 6.430 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.324 6.314 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.751 7.669 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.595 6.737 -0.853 1.00 0.00 H new ATOM 105 N ASN A 8 -8.063 9.544 1.871 1.00 0.00 N ATOM 106 CA ASN A 8 -8.447 10.742 1.144 1.00 0.00 C ATOM 107 C ASN A 8 -8.188 10.537 -0.335 1.00 0.00 C ATOM 108 O ASN A 8 -7.043 10.386 -0.756 1.00 0.00 O ATOM 109 CB ASN A 8 -7.668 11.950 1.660 1.00 0.00 C ATOM 110 CG ASN A 8 -8.251 12.506 2.942 1.00 0.00 C ATOM 111 OD1 ASN A 8 -8.999 13.484 2.932 1.00 0.00 O ATOM 112 ND2 ASN A 8 -7.936 11.868 4.053 1.00 0.00 N ATOM 0 H ASN A 8 -7.075 9.505 2.123 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.509 10.932 1.299 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.630 11.664 1.830 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.664 12.729 0.898 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.316 12.181 4.946 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.313 11.061 4.019 1.00 0.00 H new ATOM 119 N ASP A 9 -9.269 10.520 -1.112 1.00 0.00 N ATOM 120 CA ASP A 9 -9.203 10.302 -2.557 1.00 0.00 C ATOM 121 C ASP A 9 -8.203 11.249 -3.201 1.00 0.00 C ATOM 122 O ASP A 9 -7.451 10.867 -4.092 1.00 0.00 O ATOM 123 CB ASP A 9 -10.588 10.507 -3.181 1.00 0.00 C ATOM 124 CG ASP A 9 -10.582 10.386 -4.695 1.00 0.00 C ATOM 125 OD1 ASP A 9 -10.358 11.407 -5.380 1.00 0.00 O ATOM 126 OD2 ASP A 9 -10.821 9.276 -5.209 1.00 0.00 O ATOM 0 H ASP A 9 -10.216 10.657 -0.758 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.874 9.278 -2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.279 9.773 -2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.964 11.492 -2.902 1.00 0.00 H new ATOM 131 N ALA A 10 -8.193 12.480 -2.720 1.00 0.00 N ATOM 132 CA ALA A 10 -7.290 13.504 -3.218 1.00 0.00 C ATOM 133 C ALA A 10 -5.845 13.214 -2.818 1.00 0.00 C ATOM 134 O ALA A 10 -4.914 13.480 -3.582 1.00 0.00 O ATOM 135 CB ALA A 10 -7.724 14.854 -2.677 1.00 0.00 C ATOM 0 H ALA A 10 -8.811 12.798 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.334 13.510 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.051 15.628 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.740 15.069 -3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.693 14.836 -1.588 1.00 0.00 H new ATOM 141 N ASP A 11 -5.664 12.656 -1.625 1.00 0.00 N ATOM 142 CA ASP A 11 -4.330 12.371 -1.102 1.00 0.00 C ATOM 143 C ASP A 11 -3.725 11.199 -1.848 1.00 0.00 C ATOM 144 O ASP A 11 -2.584 11.254 -2.312 1.00 0.00 O ATOM 145 CB ASP A 11 -4.388 12.056 0.396 1.00 0.00 C ATOM 146 CG ASP A 11 -3.188 12.583 1.155 1.00 0.00 C ATOM 147 OD1 ASP A 11 -2.054 12.190 0.836 1.00 0.00 O ATOM 148 OD2 ASP A 11 -3.380 13.390 2.090 1.00 0.00 O ATOM 0 H ASP A 11 -6.426 12.391 -1.000 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.708 13.255 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.296 12.486 0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.453 10.977 0.533 1.00 0.00 H new ATOM 153 N ILE A 12 -4.515 10.145 -1.961 1.00 0.00 N ATOM 154 CA ILE A 12 -4.138 8.959 -2.717 1.00 0.00 C ATOM 155 C ILE A 12 -3.766 9.337 -4.151 1.00 0.00 C ATOM 156 O ILE A 12 -2.666 9.037 -4.613 1.00 0.00 O ATOM 157 CB ILE A 12 -5.293 7.924 -2.708 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.255 7.062 -1.438 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.260 7.028 -3.942 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.497 7.822 -0.152 1.00 0.00 C ATOM 0 H ILE A 12 -5.438 10.086 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.266 8.507 -2.244 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.224 8.491 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.005 6.276 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.284 6.571 -1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.085 6.317 -3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.356 7.640 -4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.315 6.486 -3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.452 7.133 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.733 8.591 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.481 8.290 -0.186 1.00 0.00 H new ATOM 172 N THR A 13 -4.675 10.037 -4.823 1.00 0.00 N ATOM 173 CA THR A 13 -4.468 10.468 -6.201 1.00 0.00 C ATOM 174 C THR A 13 -3.164 11.258 -6.359 1.00 0.00 C ATOM 175 O THR A 13 -2.480 11.145 -7.378 1.00 0.00 O ATOM 176 CB THR A 13 -5.661 11.322 -6.678 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.870 10.553 -6.600 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.465 11.809 -8.102 1.00 0.00 C ATOM 0 H THR A 13 -5.572 10.320 -4.429 1.00 0.00 H new ATOM 0 HA THR A 13 -4.393 9.572 -6.818 1.00 0.00 H new ATOM 0 HB THR A 13 -5.729 12.193 -6.027 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.308 10.719 -5.739 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.325 12.407 -8.404 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.562 12.418 -8.157 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.367 10.953 -8.769 1.00 0.00 H new ATOM 186 N ALA A 14 -2.808 12.032 -5.340 1.00 0.00 N ATOM 187 CA ALA A 14 -1.589 12.830 -5.384 1.00 0.00 C ATOM 188 C ALA A 14 -0.348 11.940 -5.438 1.00 0.00 C ATOM 189 O ALA A 14 0.561 12.190 -6.227 1.00 0.00 O ATOM 190 CB ALA A 14 -1.523 13.777 -4.200 1.00 0.00 C ATOM 0 H ALA A 14 -3.344 12.124 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.612 13.426 -6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.605 14.363 -4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.383 14.447 -4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.534 13.203 -3.274 1.00 0.00 H new ATOM 196 N ALA A 15 -0.299 10.908 -4.593 1.00 0.00 N ATOM 197 CA ALA A 15 0.789 9.933 -4.659 1.00 0.00 C ATOM 198 C ALA A 15 0.817 9.244 -6.017 1.00 0.00 C ATOM 199 O ALA A 15 1.884 9.041 -6.591 1.00 0.00 O ATOM 200 CB ALA A 15 0.651 8.899 -3.561 1.00 0.00 C ATOM 0 H ALA A 15 -0.990 10.728 -3.865 1.00 0.00 H new ATOM 0 HA ALA A 15 1.727 10.471 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.471 8.184 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.681 9.393 -2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.298 8.374 -3.672 1.00 0.00 H new ATOM 206 N LEU A 16 -0.363 8.899 -6.525 1.00 0.00 N ATOM 207 CA LEU A 16 -0.486 8.273 -7.841 1.00 0.00 C ATOM 208 C LEU A 16 0.143 9.145 -8.919 1.00 0.00 C ATOM 209 O LEU A 16 0.882 8.657 -9.773 1.00 0.00 O ATOM 210 CB LEU A 16 -1.956 8.012 -8.184 1.00 0.00 C ATOM 211 CG LEU A 16 -2.518 6.652 -7.755 1.00 0.00 C ATOM 212 CD1 LEU A 16 -1.727 5.516 -8.385 1.00 0.00 C ATOM 213 CD2 LEU A 16 -2.528 6.514 -6.246 1.00 0.00 C ATOM 0 H LEU A 16 -1.251 9.042 -6.044 1.00 0.00 H new ATOM 0 HA LEU A 16 0.044 7.321 -7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.560 8.794 -7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.079 8.109 -9.263 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.548 6.594 -8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.145 4.561 -8.066 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.783 5.592 -9.471 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.685 5.580 -8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.932 5.539 -5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.511 6.605 -5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.149 7.298 -5.813 1.00 0.00 H new ATOM 225 N ALA A 17 -0.149 10.438 -8.865 1.00 0.00 N ATOM 226 CA ALA A 17 0.399 11.390 -9.818 1.00 0.00 C ATOM 227 C ALA A 17 1.909 11.528 -9.648 1.00 0.00 C ATOM 228 O ALA A 17 2.621 11.861 -10.592 1.00 0.00 O ATOM 229 CB ALA A 17 -0.279 12.744 -9.661 1.00 0.00 C ATOM 0 H ALA A 17 -0.766 10.852 -8.166 1.00 0.00 H new ATOM 0 HA ALA A 17 0.206 11.014 -10.823 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.141 13.447 -10.381 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.349 12.638 -9.839 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.115 13.118 -8.650 1.00 0.00 H new ATOM 235 N ALA A 18 2.393 11.248 -8.445 1.00 0.00 N ATOM 236 CA ALA A 18 3.812 11.364 -8.150 1.00 0.00 C ATOM 237 C ALA A 18 4.574 10.151 -8.666 1.00 0.00 C ATOM 238 O ALA A 18 5.633 10.287 -9.277 1.00 0.00 O ATOM 239 CB ALA A 18 4.030 11.532 -6.654 1.00 0.00 C ATOM 0 H ALA A 18 1.822 10.939 -7.658 1.00 0.00 H new ATOM 0 HA ALA A 18 4.195 12.248 -8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.097 11.617 -6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.521 12.433 -6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.628 10.666 -6.128 1.00 0.00 H new ATOM 245 N CYS A 19 4.013 8.968 -8.444 1.00 0.00 N ATOM 246 CA CYS A 19 4.653 7.728 -8.872 1.00 0.00 C ATOM 247 C CYS A 19 4.444 7.492 -10.366 1.00 0.00 C ATOM 248 O CYS A 19 5.033 6.582 -10.953 1.00 0.00 O ATOM 249 CB CYS A 19 4.115 6.543 -8.065 1.00 0.00 C ATOM 250 SG CYS A 19 2.318 6.354 -8.134 1.00 0.00 S ATOM 0 H CYS A 19 3.118 8.840 -7.971 1.00 0.00 H new ATOM 0 HA CYS A 19 5.724 7.819 -8.689 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.580 5.628 -8.431 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.417 6.660 -7.024 1.00 0.00 H new ATOM 0 HG CYS A 19 1.823 7.217 -8.971 1.00 0.00 H new ATOM 256 N LYS A 20 3.602 8.321 -10.970 1.00 0.00 N ATOM 257 CA LYS A 20 3.329 8.241 -12.398 1.00 0.00 C ATOM 258 C LYS A 20 4.597 8.576 -13.180 1.00 0.00 C ATOM 259 O LYS A 20 4.893 7.959 -14.204 1.00 0.00 O ATOM 260 CB LYS A 20 2.196 9.213 -12.763 1.00 0.00 C ATOM 261 CG LYS A 20 1.389 8.830 -14.004 1.00 0.00 C ATOM 262 CD LYS A 20 2.187 8.945 -15.296 1.00 0.00 C ATOM 263 CE LYS A 20 2.656 10.369 -15.551 1.00 0.00 C ATOM 264 NZ LYS A 20 3.362 10.497 -16.851 1.00 0.00 N ATOM 0 H LYS A 20 3.093 9.062 -10.488 1.00 0.00 H new ATOM 0 HA LYS A 20 3.016 7.229 -12.656 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.515 9.289 -11.915 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.624 10.204 -12.918 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.031 7.806 -13.895 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.509 9.470 -14.069 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.051 8.282 -15.249 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.573 8.610 -16.132 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.798 11.041 -15.536 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.320 10.682 -14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.665 11.483 -16.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.195 9.875 -16.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.721 10.223 -17.623 1.00 0.00 H new ATOM 278 N ALA A 21 5.347 9.547 -12.672 1.00 0.00 N ATOM 279 CA ALA A 21 6.574 9.993 -13.316 1.00 0.00 C ATOM 280 C ALA A 21 7.589 8.860 -13.403 1.00 0.00 C ATOM 281 O ALA A 21 8.067 8.360 -12.383 1.00 0.00 O ATOM 282 CB ALA A 21 7.162 11.176 -12.561 1.00 0.00 C ATOM 0 H ALA A 21 5.123 10.043 -11.809 1.00 0.00 H new ATOM 0 HA ALA A 21 6.332 10.307 -14.331 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.079 11.501 -13.052 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.444 11.996 -12.554 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.384 10.879 -11.536 1.00 0.00 H new ATOM 288 N GLU A 22 7.896 8.443 -14.625 1.00 0.00 N ATOM 289 CA GLU A 22 8.855 7.373 -14.850 1.00 0.00 C ATOM 290 C GLU A 22 10.225 7.757 -14.295 1.00 0.00 C ATOM 291 O GLU A 22 10.735 8.847 -14.562 1.00 0.00 O ATOM 292 CB GLU A 22 8.958 7.047 -16.342 1.00 0.00 C ATOM 293 CG GLU A 22 9.903 5.896 -16.647 1.00 0.00 C ATOM 294 CD GLU A 22 9.510 4.616 -15.938 1.00 0.00 C ATOM 295 OE1 GLU A 22 9.813 4.481 -14.734 1.00 0.00 O ATOM 296 OE2 GLU A 22 8.906 3.734 -16.583 1.00 0.00 O ATOM 0 H GLU A 22 7.492 8.832 -15.477 1.00 0.00 H new ATOM 0 HA GLU A 22 8.505 6.484 -14.326 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.966 6.803 -16.722 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.295 7.935 -16.877 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.921 5.720 -17.723 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.915 6.174 -16.353 1.00 0.00 H new ATOM 303 N GLY A 23 10.804 6.858 -13.513 1.00 0.00 N ATOM 304 CA GLY A 23 12.077 7.134 -12.876 1.00 0.00 C ATOM 305 C GLY A 23 11.911 7.798 -11.524 1.00 0.00 C ATOM 306 O GLY A 23 12.857 7.877 -10.742 1.00 0.00 O ATOM 0 H GLY A 23 10.414 5.938 -13.307 1.00 0.00 H new ATOM 0 HA2 GLY A 23 12.630 6.202 -12.755 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.673 7.777 -13.524 1.00 0.00 H new ATOM 310 N SER A 24 10.704 8.267 -11.242 1.00 0.00 N ATOM 311 CA SER A 24 10.424 8.957 -9.995 1.00 0.00 C ATOM 312 C SER A 24 9.230 8.306 -9.298 1.00 0.00 C ATOM 313 O SER A 24 8.280 8.974 -8.883 1.00 0.00 O ATOM 314 CB SER A 24 10.155 10.439 -10.271 1.00 0.00 C ATOM 315 OG SER A 24 10.078 11.187 -9.067 1.00 0.00 O ATOM 0 H SER A 24 9.901 8.181 -11.864 1.00 0.00 H new ATOM 0 HA SER A 24 11.289 8.881 -9.336 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.948 10.842 -10.901 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.223 10.543 -10.826 1.00 0.00 H new ATOM 0 HG SER A 24 9.395 10.797 -8.483 1.00 0.00 H new ATOM 321 N PHE A 25 9.284 6.989 -9.182 1.00 0.00 N ATOM 322 CA PHE A 25 8.220 6.233 -8.543 1.00 0.00 C ATOM 323 C PHE A 25 8.647 5.778 -7.154 1.00 0.00 C ATOM 324 O PHE A 25 9.734 5.226 -6.973 1.00 0.00 O ATOM 325 CB PHE A 25 7.803 5.034 -9.407 1.00 0.00 C ATOM 326 CG PHE A 25 8.949 4.197 -9.912 1.00 0.00 C ATOM 327 CD1 PHE A 25 9.724 4.623 -10.980 1.00 0.00 C ATOM 328 CD2 PHE A 25 9.246 2.983 -9.319 1.00 0.00 C ATOM 329 CE1 PHE A 25 10.773 3.852 -11.443 1.00 0.00 C ATOM 330 CE2 PHE A 25 10.294 2.209 -9.777 1.00 0.00 C ATOM 331 CZ PHE A 25 11.059 2.644 -10.840 1.00 0.00 C ATOM 0 H PHE A 25 10.058 6.419 -9.524 1.00 0.00 H new ATOM 0 HA PHE A 25 7.354 6.887 -8.438 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.135 4.399 -8.826 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.233 5.399 -10.261 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.505 5.568 -11.455 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.651 2.636 -8.487 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.369 4.194 -12.276 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.515 1.264 -9.304 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.880 2.041 -11.199 1.00 0.00 H new ATOM 341 N ASP A 26 7.799 6.050 -6.173 1.00 0.00 N ATOM 342 CA ASP A 26 8.064 5.666 -4.795 1.00 0.00 C ATOM 343 C ASP A 26 6.806 5.109 -4.139 1.00 0.00 C ATOM 344 O ASP A 26 6.022 5.835 -3.529 1.00 0.00 O ATOM 345 CB ASP A 26 8.636 6.840 -3.986 1.00 0.00 C ATOM 346 CG ASP A 26 8.150 8.203 -4.451 1.00 0.00 C ATOM 347 OD1 ASP A 26 7.011 8.590 -4.126 1.00 0.00 O ATOM 348 OD2 ASP A 26 8.926 8.906 -5.134 1.00 0.00 O ATOM 0 H ASP A 26 6.914 6.539 -6.308 1.00 0.00 H new ATOM 0 HA ASP A 26 8.818 4.879 -4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.371 6.709 -2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.724 6.813 -4.045 1.00 0.00 H new ATOM 353 N HIS A 27 6.621 3.806 -4.283 1.00 0.00 N ATOM 354 CA HIS A 27 5.444 3.124 -3.753 1.00 0.00 C ATOM 355 C HIS A 27 5.445 3.099 -2.226 1.00 0.00 C ATOM 356 O HIS A 27 4.382 3.080 -1.598 1.00 0.00 O ATOM 357 CB HIS A 27 5.387 1.704 -4.307 1.00 0.00 C ATOM 358 CG HIS A 27 4.042 1.052 -4.250 1.00 0.00 C ATOM 359 ND1 HIS A 27 3.383 0.620 -5.375 1.00 0.00 N ATOM 360 CD2 HIS A 27 3.250 0.723 -3.207 1.00 0.00 C ATOM 361 CE1 HIS A 27 2.245 0.054 -5.031 1.00 0.00 C ATOM 362 NE2 HIS A 27 2.136 0.100 -3.717 1.00 0.00 N ATOM 0 H HIS A 27 7.276 3.192 -4.767 1.00 0.00 H new ATOM 0 HA HIS A 27 4.559 3.676 -4.068 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.721 1.722 -5.345 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.096 1.087 -3.755 1.00 0.00 H new ATOM 0 HD1 HIS A 27 3.723 0.722 -6.331 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.454 0.914 -2.164 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.523 -0.375 -5.710 1.00 0.00 H new ATOM 371 N LYS A 28 6.622 3.093 -1.624 1.00 0.00 N ATOM 372 CA LYS A 28 6.709 3.167 -0.174 1.00 0.00 C ATOM 373 C LYS A 28 6.191 4.514 0.288 1.00 0.00 C ATOM 374 O LYS A 28 5.459 4.612 1.274 1.00 0.00 O ATOM 375 CB LYS A 28 8.140 2.993 0.300 1.00 0.00 C ATOM 376 CG LYS A 28 8.268 3.002 1.814 1.00 0.00 C ATOM 377 CD LYS A 28 9.693 2.748 2.269 1.00 0.00 C ATOM 378 CE LYS A 28 9.809 2.842 3.781 1.00 0.00 C ATOM 379 NZ LYS A 28 8.871 1.914 4.471 1.00 0.00 N ATOM 0 H LYS A 28 7.519 3.039 -2.107 1.00 0.00 H new ATOM 0 HA LYS A 28 6.107 2.362 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.534 2.053 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.755 3.791 -0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.931 3.964 2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.612 2.241 2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.013 1.760 1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.361 3.473 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.832 2.613 4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.605 3.865 4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.258 1.658 5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.950 2.381 4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.749 1.054 3.898 1.00 0.00 H new ATOM 393 N ALA A 29 6.568 5.550 -0.451 1.00 0.00 N ATOM 394 CA ALA A 29 6.104 6.894 -0.173 1.00 0.00 C ATOM 395 C ALA A 29 4.594 6.964 -0.325 1.00 0.00 C ATOM 396 O ALA A 29 3.932 7.719 0.370 1.00 0.00 O ATOM 397 CB ALA A 29 6.787 7.897 -1.082 1.00 0.00 C ATOM 0 H ALA A 29 7.197 5.479 -1.251 1.00 0.00 H new ATOM 0 HA ALA A 29 6.361 7.148 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.424 8.899 -0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.865 7.857 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.565 7.656 -2.122 1.00 0.00 H new ATOM 403 N PHE A 30 4.058 6.149 -1.228 1.00 0.00 N ATOM 404 CA PHE A 30 2.617 6.025 -1.388 1.00 0.00 C ATOM 405 C PHE A 30 1.959 5.639 -0.062 1.00 0.00 C ATOM 406 O PHE A 30 1.012 6.292 0.374 1.00 0.00 O ATOM 407 CB PHE A 30 2.291 4.992 -2.478 1.00 0.00 C ATOM 408 CG PHE A 30 0.840 4.589 -2.536 1.00 0.00 C ATOM 409 CD1 PHE A 30 -0.107 5.427 -3.100 1.00 0.00 C ATOM 410 CD2 PHE A 30 0.428 3.367 -2.025 1.00 0.00 C ATOM 411 CE1 PHE A 30 -1.438 5.054 -3.152 1.00 0.00 C ATOM 412 CE2 PHE A 30 -0.899 2.990 -2.074 1.00 0.00 C ATOM 413 CZ PHE A 30 -1.834 3.835 -2.639 1.00 0.00 C ATOM 0 H PHE A 30 4.603 5.564 -1.861 1.00 0.00 H new ATOM 0 HA PHE A 30 2.217 6.991 -1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.582 5.399 -3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.897 4.101 -2.311 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.197 6.382 -3.503 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.155 2.702 -1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.168 5.716 -3.594 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.206 2.036 -1.671 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.873 3.543 -2.679 1.00 0.00 H new ATOM 423 N PHE A 31 2.478 4.599 0.593 1.00 0.00 N ATOM 424 CA PHE A 31 1.892 4.138 1.854 1.00 0.00 C ATOM 425 C PHE A 31 2.000 5.207 2.934 1.00 0.00 C ATOM 426 O PHE A 31 1.032 5.483 3.638 1.00 0.00 O ATOM 427 CB PHE A 31 2.550 2.853 2.369 1.00 0.00 C ATOM 428 CG PHE A 31 2.509 1.704 1.408 1.00 0.00 C ATOM 429 CD1 PHE A 31 1.306 1.271 0.879 1.00 0.00 C ATOM 430 CD2 PHE A 31 3.670 1.042 1.051 1.00 0.00 C ATOM 431 CE1 PHE A 31 1.261 0.201 0.010 1.00 0.00 C ATOM 432 CE2 PHE A 31 3.633 -0.026 0.181 1.00 0.00 C ATOM 433 CZ PHE A 31 2.425 -0.450 -0.339 1.00 0.00 C ATOM 0 H PHE A 31 3.290 4.067 0.279 1.00 0.00 H new ATOM 0 HA PHE A 31 0.844 3.931 1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.590 3.066 2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.058 2.554 3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.391 1.777 1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.616 1.366 1.459 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.315 -0.126 -0.396 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.547 -0.531 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.393 -1.290 -1.017 1.00 0.00 H new ATOM 443 N THR A 32 3.168 5.812 3.060 1.00 0.00 N ATOM 444 CA THR A 32 3.405 6.766 4.133 1.00 0.00 C ATOM 445 C THR A 32 2.736 8.119 3.861 1.00 0.00 C ATOM 446 O THR A 32 2.447 8.868 4.795 1.00 0.00 O ATOM 447 CB THR A 32 4.919 6.950 4.415 1.00 0.00 C ATOM 448 OG1 THR A 32 5.135 8.024 5.338 1.00 0.00 O ATOM 449 CG2 THR A 32 5.709 7.207 3.142 1.00 0.00 C ATOM 0 H THR A 32 3.963 5.662 2.439 1.00 0.00 H new ATOM 0 HA THR A 32 2.945 6.345 5.027 1.00 0.00 H new ATOM 0 HB THR A 32 5.275 6.017 4.852 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.096 8.124 5.505 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.764 7.330 3.387 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.590 6.363 2.463 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.340 8.113 2.662 1.00 0.00 H new ATOM 457 N LYS A 33 2.462 8.423 2.596 1.00 0.00 N ATOM 458 CA LYS A 33 1.846 9.696 2.242 1.00 0.00 C ATOM 459 C LYS A 33 0.332 9.642 2.453 1.00 0.00 C ATOM 460 O LYS A 33 -0.274 10.627 2.870 1.00 0.00 O ATOM 461 CB LYS A 33 2.220 10.093 0.804 1.00 0.00 C ATOM 462 CG LYS A 33 1.337 9.524 -0.287 1.00 0.00 C ATOM 463 CD LYS A 33 0.151 10.439 -0.567 1.00 0.00 C ATOM 464 CE LYS A 33 0.590 11.782 -1.135 1.00 0.00 C ATOM 465 NZ LYS A 33 -0.544 12.730 -1.221 1.00 0.00 N ATOM 0 H LYS A 33 2.655 7.810 1.804 1.00 0.00 H new ATOM 0 HA LYS A 33 2.233 10.472 2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.201 11.180 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.247 9.779 0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.920 9.390 -1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.978 8.538 0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.525 9.952 -1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.408 10.600 0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.373 12.206 -0.507 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.020 11.636 -2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.227 13.611 -1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.308 12.307 -1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.895 12.940 -0.265 1.00 0.00 H new ATOM 479 N VAL A 34 -0.277 8.489 2.181 1.00 0.00 N ATOM 480 CA VAL A 34 -1.694 8.312 2.400 1.00 0.00 C ATOM 481 C VAL A 34 -1.963 7.874 3.839 1.00 0.00 C ATOM 482 O VAL A 34 -3.105 7.878 4.306 1.00 0.00 O ATOM 483 CB VAL A 34 -2.263 7.263 1.429 1.00 0.00 C ATOM 484 CG1 VAL A 34 -1.930 7.622 -0.009 1.00 0.00 C ATOM 485 CG2 VAL A 34 -1.764 5.867 1.760 1.00 0.00 C ATOM 0 H VAL A 34 0.198 7.667 1.808 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.186 9.268 2.220 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.347 7.264 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.342 6.866 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.361 8.594 -0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.848 7.664 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.187 5.153 1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.676 5.844 1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.071 5.601 2.772 1.00 0.00 H new ATOM 495 N GLY A 35 -0.890 7.491 4.528 1.00 0.00 N ATOM 496 CA GLY A 35 -0.993 7.060 5.906 1.00 0.00 C ATOM 497 C GLY A 35 -1.466 5.626 6.028 1.00 0.00 C ATOM 498 O GLY A 35 -2.115 5.261 7.007 1.00 0.00 O ATOM 0 H GLY A 35 0.057 7.473 4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.021 7.162 6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.684 7.714 6.438 1.00 0.00 H new ATOM 502 N LEU A 36 -1.138 4.806 5.035 1.00 0.00 N ATOM 503 CA LEU A 36 -1.606 3.427 4.997 1.00 0.00 C ATOM 504 C LEU A 36 -0.825 2.554 5.973 1.00 0.00 C ATOM 505 O LEU A 36 -1.347 1.575 6.500 1.00 0.00 O ATOM 506 CB LEU A 36 -1.484 2.841 3.592 1.00 0.00 C ATOM 507 CG LEU A 36 -2.339 1.598 3.351 1.00 0.00 C ATOM 508 CD1 LEU A 36 -3.784 1.993 3.082 1.00 0.00 C ATOM 509 CD2 LEU A 36 -1.785 0.769 2.209 1.00 0.00 C ATOM 0 H LEU A 36 -0.550 5.074 4.246 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.656 3.438 5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.763 3.606 2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.440 2.591 3.405 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.311 0.984 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.381 1.097 2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.179 2.535 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.829 2.631 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.413 -0.109 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.774 1.367 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.770 0.453 2.448 1.00 0.00 H new ATOM 521 N ALA A 37 0.424 2.920 6.222 1.00 0.00 N ATOM 522 CA ALA A 37 1.283 2.137 7.102 1.00 0.00 C ATOM 523 C ALA A 37 0.840 2.267 8.556 1.00 0.00 C ATOM 524 O ALA A 37 1.211 1.457 9.404 1.00 0.00 O ATOM 525 CB ALA A 37 2.734 2.560 6.935 1.00 0.00 C ATOM 0 H ALA A 37 0.865 3.751 5.829 1.00 0.00 H new ATOM 0 HA ALA A 37 1.196 1.087 6.823 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.364 1.967 7.598 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.043 2.400 5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.836 3.616 7.185 1.00 0.00 H new ATOM 531 N ALA A 38 0.035 3.283 8.835 1.00 0.00 N ATOM 532 CA ALA A 38 -0.497 3.490 10.173 1.00 0.00 C ATOM 533 C ALA A 38 -1.991 3.176 10.219 1.00 0.00 C ATOM 534 O ALA A 38 -2.724 3.710 11.053 1.00 0.00 O ATOM 535 CB ALA A 38 -0.239 4.920 10.628 1.00 0.00 C ATOM 0 H ALA A 38 -0.264 3.978 8.150 1.00 0.00 H new ATOM 0 HA ALA A 38 0.013 2.809 10.854 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.642 5.061 11.631 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.834 5.111 10.638 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.724 5.614 9.941 1.00 0.00 H new ATOM 541 N LYS A 39 -2.435 2.309 9.319 1.00 0.00 N ATOM 542 CA LYS A 39 -3.844 1.931 9.242 1.00 0.00 C ATOM 543 C LYS A 39 -4.143 0.731 10.131 1.00 0.00 C ATOM 544 O LYS A 39 -3.238 -0.003 10.537 1.00 0.00 O ATOM 545 CB LYS A 39 -4.228 1.620 7.796 1.00 0.00 C ATOM 546 CG LYS A 39 -4.314 2.853 6.914 1.00 0.00 C ATOM 547 CD LYS A 39 -5.564 3.664 7.212 1.00 0.00 C ATOM 548 CE LYS A 39 -5.609 4.951 6.409 1.00 0.00 C ATOM 549 NZ LYS A 39 -4.723 5.995 6.984 1.00 0.00 N ATOM 0 H LYS A 39 -1.839 1.852 8.629 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.438 2.773 9.598 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.496 0.931 7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.190 1.108 7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.431 3.474 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.315 2.553 5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.447 3.065 6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.599 3.899 8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.310 4.748 5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.633 5.322 6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.486 6.692 6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.212 6.471 7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.850 5.554 7.337 1.00 0.00 H new ATOM 563 N SER A 40 -5.420 0.544 10.428 1.00 0.00 N ATOM 564 CA SER A 40 -5.864 -0.531 11.299 1.00 0.00 C ATOM 565 C SER A 40 -5.921 -1.861 10.545 1.00 0.00 C ATOM 566 O SER A 40 -6.140 -1.872 9.333 1.00 0.00 O ATOM 567 CB SER A 40 -7.240 -0.188 11.867 1.00 0.00 C ATOM 568 OG SER A 40 -7.239 1.095 12.472 1.00 0.00 O ATOM 0 H SER A 40 -6.175 1.131 10.073 1.00 0.00 H new ATOM 0 HA SER A 40 -5.148 -0.639 12.114 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.983 -0.217 11.070 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.531 -0.939 12.601 1.00 0.00 H new ATOM 0 HG SER A 40 -8.132 1.291 12.826 1.00 0.00 H new ATOM 574 N PRO A 41 -5.709 -2.991 11.246 1.00 0.00 N ATOM 575 CA PRO A 41 -5.654 -4.324 10.625 1.00 0.00 C ATOM 576 C PRO A 41 -6.802 -4.604 9.654 1.00 0.00 C ATOM 577 O PRO A 41 -6.565 -4.940 8.490 1.00 0.00 O ATOM 578 CB PRO A 41 -5.728 -5.272 11.820 1.00 0.00 C ATOM 579 CG PRO A 41 -5.128 -4.503 12.944 1.00 0.00 C ATOM 580 CD PRO A 41 -5.484 -3.060 12.704 1.00 0.00 C ATOM 0 HA PRO A 41 -4.758 -4.433 10.015 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.758 -5.556 12.038 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.177 -6.193 11.631 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.518 -4.846 13.902 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.047 -4.637 12.974 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.375 -2.770 13.261 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.681 -2.392 13.017 1.00 0.00 H new ATOM 588 N ALA A 42 -8.037 -4.458 10.125 1.00 0.00 N ATOM 589 CA ALA A 42 -9.211 -4.756 9.307 1.00 0.00 C ATOM 590 C ALA A 42 -9.297 -3.828 8.098 1.00 0.00 C ATOM 591 O ALA A 42 -9.799 -4.214 7.040 1.00 0.00 O ATOM 592 CB ALA A 42 -10.481 -4.665 10.139 1.00 0.00 C ATOM 0 H ALA A 42 -8.252 -4.135 11.068 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.108 -5.777 8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.344 -4.890 9.512 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.431 -5.382 10.959 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.580 -3.658 10.543 1.00 0.00 H new ATOM 598 N ASP A 43 -8.799 -2.612 8.248 1.00 0.00 N ATOM 599 CA ASP A 43 -8.804 -1.659 7.146 1.00 0.00 C ATOM 600 C ASP A 43 -7.758 -2.042 6.112 1.00 0.00 C ATOM 601 O ASP A 43 -8.034 -2.078 4.921 1.00 0.00 O ATOM 602 CB ASP A 43 -8.553 -0.244 7.647 1.00 0.00 C ATOM 603 CG ASP A 43 -8.547 0.767 6.522 1.00 0.00 C ATOM 604 OD1 ASP A 43 -9.569 0.870 5.808 1.00 0.00 O ATOM 605 OD2 ASP A 43 -7.530 1.460 6.358 1.00 0.00 O ATOM 0 H ASP A 43 -8.389 -2.261 9.114 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.789 -1.686 6.680 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.322 0.025 8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.597 -0.209 8.170 1.00 0.00 H new ATOM 610 N ILE A 44 -6.560 -2.355 6.570 1.00 0.00 N ATOM 611 CA ILE A 44 -5.522 -2.840 5.677 1.00 0.00 C ATOM 612 C ILE A 44 -5.946 -4.176 5.046 1.00 0.00 C ATOM 613 O ILE A 44 -5.471 -4.553 3.975 1.00 0.00 O ATOM 614 CB ILE A 44 -4.154 -2.936 6.409 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.191 -1.900 5.820 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.555 -4.333 6.338 1.00 0.00 C ATOM 617 CD1 ILE A 44 -1.873 -1.782 6.553 1.00 0.00 C ATOM 0 H ILE A 44 -6.282 -2.283 7.549 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.389 -2.123 4.867 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.320 -2.725 7.465 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.992 -2.157 4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.681 -0.926 5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.600 -4.347 6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.236 -5.045 6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.399 -4.609 5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.254 -1.027 6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.057 -1.492 7.588 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.357 -2.742 6.532 1.00 0.00 H new ATOM 629 N LYS A 45 -6.878 -4.865 5.703 1.00 0.00 N ATOM 630 CA LYS A 45 -7.444 -6.100 5.173 1.00 0.00 C ATOM 631 C LYS A 45 -8.286 -5.830 3.923 1.00 0.00 C ATOM 632 O LYS A 45 -8.184 -6.555 2.932 1.00 0.00 O ATOM 633 CB LYS A 45 -8.288 -6.806 6.240 1.00 0.00 C ATOM 634 CG LYS A 45 -8.950 -8.091 5.757 1.00 0.00 C ATOM 635 CD LYS A 45 -7.933 -9.105 5.249 1.00 0.00 C ATOM 636 CE LYS A 45 -6.933 -9.502 6.323 1.00 0.00 C ATOM 637 NZ LYS A 45 -7.593 -10.125 7.499 1.00 0.00 N ATOM 0 H LYS A 45 -7.257 -4.585 6.608 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.618 -6.753 4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.654 -7.036 7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.060 -6.121 6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.524 -8.531 6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.656 -7.857 4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.455 -9.994 4.894 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.400 -8.686 4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.208 -10.200 5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.378 -8.621 6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.870 -10.517 8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.149 -9.407 8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.223 -10.888 7.180 1.00 0.00 H new ATOM 651 N LYS A 46 -9.114 -4.789 3.951 1.00 0.00 N ATOM 652 CA LYS A 46 -9.883 -4.442 2.760 1.00 0.00 C ATOM 653 C LYS A 46 -8.945 -3.900 1.690 1.00 0.00 C ATOM 654 O LYS A 46 -9.226 -3.989 0.503 1.00 0.00 O ATOM 655 CB LYS A 46 -11.043 -3.465 3.066 1.00 0.00 C ATOM 656 CG LYS A 46 -10.654 -2.164 3.761 1.00 0.00 C ATOM 657 CD LYS A 46 -10.043 -1.146 2.804 1.00 0.00 C ATOM 658 CE LYS A 46 -10.968 0.037 2.566 1.00 0.00 C ATOM 659 NZ LYS A 46 -11.286 0.758 3.828 1.00 0.00 N ATOM 0 H LYS A 46 -9.267 -4.187 4.760 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.358 -5.348 2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.541 -3.218 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.773 -3.982 3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.536 -1.730 4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.942 -2.381 4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.096 -0.790 3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.821 -1.630 1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.501 0.726 1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.892 -0.312 2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.422 1.769 3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.157 0.368 4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.502 0.642 4.501 1.00 0.00 H new ATOM 673 N VAL A 47 -7.808 -3.366 2.118 1.00 0.00 N ATOM 674 CA VAL A 47 -6.759 -2.988 1.187 1.00 0.00 C ATOM 675 C VAL A 47 -6.240 -4.234 0.482 1.00 0.00 C ATOM 676 O VAL A 47 -5.992 -4.233 -0.729 1.00 0.00 O ATOM 677 CB VAL A 47 -5.594 -2.265 1.893 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.497 -1.918 0.901 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.092 -1.014 2.598 1.00 0.00 C ATOM 0 H VAL A 47 -7.592 -3.187 3.099 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.185 -2.294 0.463 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.177 -2.939 2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.685 -1.409 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.118 -2.832 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.900 -1.264 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.256 -0.517 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.537 -0.338 1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.840 -1.289 3.342 1.00 0.00 H new ATOM 689 N PHE A 48 -6.122 -5.307 1.255 1.00 0.00 N ATOM 690 CA PHE A 48 -5.690 -6.594 0.738 1.00 0.00 C ATOM 691 C PHE A 48 -6.646 -7.118 -0.326 1.00 0.00 C ATOM 692 O PHE A 48 -6.245 -7.862 -1.219 1.00 0.00 O ATOM 693 CB PHE A 48 -5.563 -7.617 1.865 1.00 0.00 C ATOM 694 CG PHE A 48 -4.435 -7.349 2.827 1.00 0.00 C ATOM 695 CD1 PHE A 48 -3.301 -6.657 2.428 1.00 0.00 C ATOM 696 CD2 PHE A 48 -4.507 -7.807 4.134 1.00 0.00 C ATOM 697 CE1 PHE A 48 -2.268 -6.426 3.314 1.00 0.00 C ATOM 698 CE2 PHE A 48 -3.476 -7.582 5.021 1.00 0.00 C ATOM 699 CZ PHE A 48 -2.354 -6.891 4.611 1.00 0.00 C ATOM 0 H PHE A 48 -6.323 -5.307 2.255 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.713 -6.446 0.279 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.500 -7.644 2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.424 -8.606 1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.225 -6.295 1.413 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.383 -8.347 4.461 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.392 -5.881 2.993 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.546 -7.946 6.035 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.544 -6.714 5.304 1.00 0.00 H new ATOM 709 N GLU A 49 -7.914 -6.753 -0.225 1.00 0.00 N ATOM 710 CA GLU A 49 -8.873 -7.143 -1.244 1.00 0.00 C ATOM 711 C GLU A 49 -8.851 -6.165 -2.421 1.00 0.00 C ATOM 712 O GLU A 49 -9.369 -6.467 -3.494 1.00 0.00 O ATOM 713 CB GLU A 49 -10.282 -7.278 -0.654 1.00 0.00 C ATOM 714 CG GLU A 49 -11.050 -5.977 -0.521 1.00 0.00 C ATOM 715 CD GLU A 49 -12.442 -6.203 0.019 1.00 0.00 C ATOM 716 OE1 GLU A 49 -12.608 -6.249 1.254 1.00 0.00 O ATOM 717 OE2 GLU A 49 -13.375 -6.370 -0.792 1.00 0.00 O ATOM 0 H GLU A 49 -8.298 -6.197 0.539 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.581 -8.122 -1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.858 -7.960 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.204 -7.739 0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.508 -5.301 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.112 -5.490 -1.494 1.00 0.00 H new ATOM 724 N ILE A 50 -8.247 -4.993 -2.223 1.00 0.00 N ATOM 725 CA ILE A 50 -8.128 -4.016 -3.303 1.00 0.00 C ATOM 726 C ILE A 50 -7.125 -4.480 -4.366 1.00 0.00 C ATOM 727 O ILE A 50 -7.374 -4.303 -5.562 1.00 0.00 O ATOM 728 CB ILE A 50 -7.722 -2.609 -2.803 1.00 0.00 C ATOM 729 CG1 ILE A 50 -8.629 -2.143 -1.667 1.00 0.00 C ATOM 730 CG2 ILE A 50 -7.792 -1.607 -3.946 1.00 0.00 C ATOM 731 CD1 ILE A 50 -8.184 -0.838 -1.039 1.00 0.00 C ATOM 0 H ILE A 50 -7.837 -4.700 -1.336 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.123 -3.942 -3.743 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.700 -2.671 -2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.644 -2.027 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.662 -2.915 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.504 -0.620 -3.583 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.112 -1.914 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.810 -1.568 -4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.873 -0.566 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.181 -0.955 -0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.178 -0.053 -1.796 1.00 0.00 H new ATOM 743 N ILE A 51 -5.994 -5.080 -3.949 1.00 0.00 N ATOM 744 CA ILE A 51 -5.027 -5.600 -4.933 1.00 0.00 C ATOM 745 C ILE A 51 -5.673 -6.710 -5.742 1.00 0.00 C ATOM 746 O ILE A 51 -5.321 -6.941 -6.900 1.00 0.00 O ATOM 747 CB ILE A 51 -3.675 -6.109 -4.331 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.873 -6.730 -2.934 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.662 -4.970 -4.280 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.651 -5.749 -1.800 1.00 0.00 C ATOM 0 H ILE A 51 -5.733 -5.214 -2.972 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.764 -4.749 -5.561 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.290 -6.894 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.884 -7.132 -2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.187 -7.569 -2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.725 -5.335 -3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.486 -4.595 -5.288 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.051 -4.165 -3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.807 -6.254 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.632 -5.365 -1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.354 -4.921 -1.892 1.00 0.00 H new ATOM 762 N ASP A 52 -6.648 -7.374 -5.139 1.00 0.00 N ATOM 763 CA ASP A 52 -7.407 -8.388 -5.839 1.00 0.00 C ATOM 764 C ASP A 52 -8.558 -7.725 -6.586 1.00 0.00 C ATOM 765 O ASP A 52 -9.710 -7.848 -6.171 1.00 0.00 O ATOM 766 CB ASP A 52 -7.990 -9.419 -4.871 1.00 0.00 C ATOM 767 CG ASP A 52 -8.376 -10.718 -5.553 1.00 0.00 C ATOM 768 OD1 ASP A 52 -8.021 -10.932 -6.745 1.00 0.00 O ATOM 769 OD2 ASP A 52 -9.038 -11.542 -4.902 1.00 0.00 O ATOM 0 H ASP A 52 -6.928 -7.226 -4.169 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.733 -8.896 -6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.261 -9.628 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.868 -8.996 -4.383 1.00 0.00 H new ATOM 774 N GLN A 53 -8.255 -7.012 -7.667 1.00 0.00 N ATOM 775 CA GLN A 53 -9.283 -6.286 -8.422 1.00 0.00 C ATOM 776 C GLN A 53 -10.431 -7.212 -8.811 1.00 0.00 C ATOM 777 O GLN A 53 -11.602 -6.830 -8.795 1.00 0.00 O ATOM 778 CB GLN A 53 -8.692 -5.671 -9.690 1.00 0.00 C ATOM 779 CG GLN A 53 -9.733 -4.956 -10.538 1.00 0.00 C ATOM 780 CD GLN A 53 -9.244 -4.599 -11.927 1.00 0.00 C ATOM 781 OE1 GLN A 53 -9.677 -3.603 -12.505 1.00 0.00 O ATOM 782 NE2 GLN A 53 -8.367 -5.419 -12.487 1.00 0.00 N ATOM 0 H GLN A 53 -7.311 -6.919 -8.042 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.662 -5.494 -7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.907 -4.966 -9.415 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.222 -6.455 -10.284 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.616 -5.589 -10.625 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.043 -4.045 -10.026 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.032 -6.235 -11.974 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.027 -5.235 -13.431 1.00 0.00 H new ATOM 791 N ASP A 54 -10.067 -8.429 -9.160 1.00 0.00 N ATOM 792 CA ASP A 54 -11.032 -9.435 -9.602 1.00 0.00 C ATOM 793 C ASP A 54 -11.802 -10.040 -8.424 1.00 0.00 C ATOM 794 O ASP A 54 -12.883 -10.603 -8.610 1.00 0.00 O ATOM 795 CB ASP A 54 -10.308 -10.536 -10.377 1.00 0.00 C ATOM 796 CG ASP A 54 -11.239 -11.604 -10.897 1.00 0.00 C ATOM 797 OD1 ASP A 54 -11.939 -11.352 -11.900 1.00 0.00 O ATOM 798 OD2 ASP A 54 -11.282 -12.700 -10.305 1.00 0.00 O ATOM 0 H ASP A 54 -9.101 -8.755 -9.148 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.757 -8.944 -10.251 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.772 -10.090 -11.215 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.561 -10.997 -9.730 1.00 0.00 H new ATOM 803 N LYS A 55 -11.257 -9.897 -7.214 1.00 0.00 N ATOM 804 CA LYS A 55 -11.877 -10.450 -6.004 1.00 0.00 C ATOM 805 C LYS A 55 -12.098 -11.958 -6.133 1.00 0.00 C ATOM 806 O LYS A 55 -13.227 -12.448 -6.114 1.00 0.00 O ATOM 807 CB LYS A 55 -13.194 -9.734 -5.701 1.00 0.00 C ATOM 808 CG LYS A 55 -13.022 -8.354 -5.084 1.00 0.00 C ATOM 809 CD LYS A 55 -12.543 -8.427 -3.639 1.00 0.00 C ATOM 810 CE LYS A 55 -13.548 -9.145 -2.748 1.00 0.00 C ATOM 811 NZ LYS A 55 -13.194 -9.039 -1.307 1.00 0.00 N ATOM 0 H LYS A 55 -10.383 -9.400 -7.044 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.193 -10.285 -5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.765 -9.639 -6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.784 -10.352 -5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.307 -7.780 -5.674 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.971 -7.819 -5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.585 -8.946 -3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.375 -7.419 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.540 -8.724 -2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.598 -10.196 -3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.741 -9.737 -0.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.178 -9.224 -1.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.416 -8.082 -0.965 1.00 0.00 H new ATOM 825 N SER A 56 -11.003 -12.682 -6.263 1.00 0.00 N ATOM 826 CA SER A 56 -11.038 -14.121 -6.452 1.00 0.00 C ATOM 827 C SER A 56 -10.224 -14.827 -5.378 1.00 0.00 C ATOM 828 O SER A 56 -10.032 -16.043 -5.435 1.00 0.00 O ATOM 829 CB SER A 56 -10.482 -14.450 -7.830 1.00 0.00 C ATOM 830 OG SER A 56 -9.714 -13.363 -8.321 1.00 0.00 O ATOM 0 H SER A 56 -10.062 -12.289 -6.241 1.00 0.00 H new ATOM 0 HA SER A 56 -12.069 -14.468 -6.375 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.864 -15.346 -7.776 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.299 -14.667 -8.518 1.00 0.00 H new ATOM 0 HG SER A 56 -9.932 -13.208 -9.264 1.00 0.00 H new ATOM 836 N ASP A 57 -9.737 -14.038 -4.417 1.00 0.00 N ATOM 837 CA ASP A 57 -8.902 -14.522 -3.312 1.00 0.00 C ATOM 838 C ASP A 57 -7.477 -14.777 -3.788 1.00 0.00 C ATOM 839 O ASP A 57 -6.645 -15.312 -3.053 1.00 0.00 O ATOM 840 CB ASP A 57 -9.489 -15.779 -2.656 1.00 0.00 C ATOM 841 CG ASP A 57 -10.793 -15.507 -1.930 1.00 0.00 C ATOM 842 OD1 ASP A 57 -11.848 -15.407 -2.595 1.00 0.00 O ATOM 843 OD2 ASP A 57 -10.774 -15.402 -0.688 1.00 0.00 O ATOM 0 H ASP A 57 -9.913 -13.034 -4.383 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.882 -13.740 -2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.655 -16.539 -3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.765 -16.188 -1.952 1.00 0.00 H new ATOM 848 N PHE A 58 -7.204 -14.380 -5.025 1.00 0.00 N ATOM 849 CA PHE A 58 -5.871 -14.484 -5.606 1.00 0.00 C ATOM 850 C PHE A 58 -5.532 -13.186 -6.321 1.00 0.00 C ATOM 851 O PHE A 58 -6.259 -12.763 -7.221 1.00 0.00 O ATOM 852 CB PHE A 58 -5.783 -15.652 -6.594 1.00 0.00 C ATOM 853 CG PHE A 58 -6.041 -16.996 -5.975 1.00 0.00 C ATOM 854 CD1 PHE A 58 -5.002 -17.733 -5.433 1.00 0.00 C ATOM 855 CD2 PHE A 58 -7.322 -17.519 -5.934 1.00 0.00 C ATOM 856 CE1 PHE A 58 -5.236 -18.967 -4.861 1.00 0.00 C ATOM 857 CE2 PHE A 58 -7.563 -18.752 -5.364 1.00 0.00 C ATOM 858 CZ PHE A 58 -6.519 -19.476 -4.827 1.00 0.00 C ATOM 0 H PHE A 58 -7.900 -13.977 -5.653 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.159 -14.667 -4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.501 -15.490 -7.398 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.792 -15.657 -7.048 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.997 -17.338 -5.458 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.142 -16.955 -6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.418 -19.533 -4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.567 -19.149 -5.338 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.705 -20.441 -4.380 1.00 0.00 H new ATOM 868 N VAL A 59 -4.449 -12.555 -5.911 1.00 0.00 N ATOM 869 CA VAL A 59 -4.056 -11.262 -6.456 1.00 0.00 C ATOM 870 C VAL A 59 -2.904 -11.405 -7.448 1.00 0.00 C ATOM 871 O VAL A 59 -1.787 -11.733 -7.064 1.00 0.00 O ATOM 872 CB VAL A 59 -3.628 -10.311 -5.331 1.00 0.00 C ATOM 873 CG1 VAL A 59 -3.164 -8.993 -5.887 1.00 0.00 C ATOM 874 CG2 VAL A 59 -4.747 -10.112 -4.331 1.00 0.00 C ATOM 0 H VAL A 59 -3.818 -12.917 -5.196 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.922 -10.852 -6.975 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.789 -10.770 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.866 -8.337 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.313 -9.156 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.975 -8.528 -6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.416 -9.434 -3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.615 -9.687 -4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.017 -11.072 -3.892 1.00 0.00 H new ATOM 884 N GLU A 60 -3.187 -11.159 -8.717 1.00 0.00 N ATOM 885 CA GLU A 60 -2.193 -11.298 -9.772 1.00 0.00 C ATOM 886 C GLU A 60 -1.479 -9.974 -10.073 1.00 0.00 C ATOM 887 O GLU A 60 -1.724 -8.964 -9.414 1.00 0.00 O ATOM 888 CB GLU A 60 -2.856 -11.834 -11.033 1.00 0.00 C ATOM 889 CG GLU A 60 -3.643 -13.104 -10.789 1.00 0.00 C ATOM 890 CD GLU A 60 -2.780 -14.261 -10.334 1.00 0.00 C ATOM 891 OE1 GLU A 60 -1.824 -14.618 -11.054 1.00 0.00 O ATOM 892 OE2 GLU A 60 -3.072 -14.842 -9.272 1.00 0.00 O ATOM 0 H GLU A 60 -4.105 -10.859 -9.045 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.436 -12.001 -9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.521 -11.072 -11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.092 -12.025 -11.786 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.408 -12.911 -10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.162 -13.384 -11.706 1.00 0.00 H new ATOM 899 N GLU A 61 -0.617 -9.981 -11.088 1.00 0.00 N ATOM 900 CA GLU A 61 0.136 -8.789 -11.492 1.00 0.00 C ATOM 901 C GLU A 61 -0.740 -7.842 -12.298 1.00 0.00 C ATOM 902 O GLU A 61 -0.813 -6.646 -12.005 1.00 0.00 O ATOM 903 CB GLU A 61 1.369 -9.218 -12.307 1.00 0.00 C ATOM 904 CG GLU A 61 2.206 -8.075 -12.884 1.00 0.00 C ATOM 905 CD GLU A 61 1.684 -7.538 -14.207 1.00 0.00 C ATOM 906 OE1 GLU A 61 1.137 -8.328 -15.004 1.00 0.00 O ATOM 907 OE2 GLU A 61 1.847 -6.333 -14.478 1.00 0.00 O ATOM 0 H GLU A 61 -0.419 -10.807 -11.653 1.00 0.00 H new ATOM 0 HA GLU A 61 0.464 -8.255 -10.600 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.009 -9.829 -11.671 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.037 -9.853 -13.128 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.240 -7.261 -12.160 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.230 -8.421 -13.022 1.00 0.00 H new ATOM 914 N ASP A 62 -1.410 -8.377 -13.307 1.00 0.00 N ATOM 915 CA ASP A 62 -2.267 -7.562 -14.158 1.00 0.00 C ATOM 916 C ASP A 62 -3.436 -7.019 -13.354 1.00 0.00 C ATOM 917 O ASP A 62 -4.043 -6.011 -13.722 1.00 0.00 O ATOM 918 CB ASP A 62 -2.762 -8.360 -15.365 1.00 0.00 C ATOM 919 CG ASP A 62 -3.711 -9.481 -14.989 1.00 0.00 C ATOM 920 OD1 ASP A 62 -4.930 -9.227 -14.881 1.00 0.00 O ATOM 921 OD2 ASP A 62 -3.239 -10.622 -14.801 1.00 0.00 O ATOM 0 H ASP A 62 -1.378 -9.365 -13.557 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.681 -6.723 -14.534 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.264 -7.685 -16.058 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.905 -8.779 -15.892 1.00 0.00 H new ATOM 926 N GLU A 63 -3.732 -7.685 -12.243 1.00 0.00 N ATOM 927 CA GLU A 63 -4.699 -7.176 -11.292 1.00 0.00 C ATOM 928 C GLU A 63 -4.170 -5.929 -10.626 1.00 0.00 C ATOM 929 O GLU A 63 -4.923 -5.002 -10.378 1.00 0.00 O ATOM 930 CB GLU A 63 -5.039 -8.206 -10.225 1.00 0.00 C ATOM 931 CG GLU A 63 -6.057 -9.228 -10.677 1.00 0.00 C ATOM 932 CD GLU A 63 -6.548 -10.080 -9.538 1.00 0.00 C ATOM 933 OE1 GLU A 63 -5.790 -10.888 -9.003 1.00 0.00 O ATOM 934 OE2 GLU A 63 -7.720 -9.990 -9.158 1.00 0.00 O ATOM 0 H GLU A 63 -3.313 -8.578 -11.984 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.608 -6.945 -11.848 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.127 -8.722 -9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.419 -7.692 -9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.903 -8.717 -11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.614 -9.866 -11.442 1.00 0.00 H new ATOM 941 N LEU A 64 -2.871 -5.903 -10.348 1.00 0.00 N ATOM 942 CA LEU A 64 -2.271 -4.749 -9.704 1.00 0.00 C ATOM 943 C LEU A 64 -2.176 -3.569 -10.650 1.00 0.00 C ATOM 944 O LEU A 64 -2.047 -2.428 -10.216 1.00 0.00 O ATOM 945 CB LEU A 64 -0.907 -5.055 -9.116 1.00 0.00 C ATOM 946 CG LEU A 64 -0.924 -5.156 -7.598 1.00 0.00 C ATOM 947 CD1 LEU A 64 -1.038 -6.600 -7.160 1.00 0.00 C ATOM 948 CD2 LEU A 64 0.289 -4.471 -7.002 1.00 0.00 C ATOM 0 H LEU A 64 -2.222 -6.662 -10.557 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.935 -4.485 -8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.540 -5.993 -9.533 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.205 -4.276 -9.415 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.804 -4.635 -7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.048 -6.650 -6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.961 -7.027 -7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.187 -7.164 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.257 -4.555 -5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.196 -4.946 -7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.288 -3.418 -7.285 1.00 0.00 H new ATOM 960 N LYS A 65 -2.234 -3.843 -11.943 1.00 0.00 N ATOM 961 CA LYS A 65 -2.260 -2.781 -12.938 1.00 0.00 C ATOM 962 C LYS A 65 -3.528 -1.948 -12.798 1.00 0.00 C ATOM 963 O LYS A 65 -3.481 -0.721 -12.802 1.00 0.00 O ATOM 964 CB LYS A 65 -2.168 -3.369 -14.348 1.00 0.00 C ATOM 965 CG LYS A 65 -0.867 -3.051 -15.066 1.00 0.00 C ATOM 966 CD LYS A 65 0.336 -3.362 -14.198 1.00 0.00 C ATOM 967 CE LYS A 65 1.640 -3.215 -14.962 1.00 0.00 C ATOM 968 NZ LYS A 65 1.738 -4.171 -16.092 1.00 0.00 N ATOM 0 H LYS A 65 -2.264 -4.787 -12.328 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.399 -2.134 -12.772 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.283 -4.451 -14.288 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.001 -2.993 -14.943 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.809 -3.627 -15.990 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.853 -1.998 -15.346 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.343 -2.695 -13.336 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.253 -4.379 -13.814 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.724 -2.197 -15.342 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.477 -3.372 -14.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.704 -4.154 -16.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.516 -5.130 -15.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.063 -3.900 -16.835 1.00 0.00 H new ATOM 982 N LEU A 66 -4.662 -2.621 -12.697 1.00 0.00 N ATOM 983 CA LEU A 66 -5.945 -1.939 -12.563 1.00 0.00 C ATOM 984 C LEU A 66 -6.433 -1.947 -11.116 1.00 0.00 C ATOM 985 O LEU A 66 -7.535 -1.488 -10.811 1.00 0.00 O ATOM 986 CB LEU A 66 -6.967 -2.560 -13.514 1.00 0.00 C ATOM 987 CG LEU A 66 -6.991 -1.967 -14.931 1.00 0.00 C ATOM 988 CD1 LEU A 66 -5.593 -1.573 -15.398 1.00 0.00 C ATOM 989 CD2 LEU A 66 -7.602 -2.965 -15.903 1.00 0.00 C ATOM 0 H LEU A 66 -4.724 -3.639 -12.705 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.815 -0.893 -12.841 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.767 -3.629 -13.589 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.959 -2.452 -13.076 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.602 -1.064 -14.905 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.649 -1.157 -16.404 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.180 -0.827 -14.720 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.950 -2.453 -15.404 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.615 -2.536 -16.905 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.008 -3.879 -15.907 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.621 -3.196 -15.594 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.589 -2.468 -10.233 1.00 0.00 N ATOM 1002 CA PHE A 67 -5.816 -2.423 -8.788 1.00 0.00 C ATOM 1003 C PHE A 67 -6.071 -0.984 -8.359 1.00 0.00 C ATOM 1004 O PHE A 67 -6.843 -0.713 -7.442 1.00 0.00 O ATOM 1005 CB PHE A 67 -4.575 -2.992 -8.079 1.00 0.00 C ATOM 1006 CG PHE A 67 -4.132 -2.280 -6.825 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -4.865 -2.358 -5.656 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -2.956 -1.547 -6.821 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -4.437 -1.718 -4.507 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -2.524 -0.903 -5.676 1.00 0.00 C ATOM 1011 CZ PHE A 67 -3.266 -0.989 -4.518 1.00 0.00 C ATOM 0 H PHE A 67 -4.723 -2.937 -10.498 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.688 -3.020 -8.519 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.773 -4.034 -7.828 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.745 -2.986 -8.786 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.784 -2.926 -5.639 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.369 -1.478 -7.725 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -5.020 -1.789 -3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.606 -0.333 -5.689 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.932 -0.487 -3.622 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.424 -0.068 -9.063 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.547 1.349 -8.784 1.00 0.00 C ATOM 1023 C LEU A 68 -6.958 1.815 -9.077 1.00 0.00 C ATOM 1024 O LEU A 68 -7.541 2.558 -8.297 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.549 2.169 -9.612 1.00 0.00 C ATOM 1026 CG LEU A 68 -3.067 1.805 -9.450 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.693 1.683 -7.982 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -2.734 0.524 -10.203 1.00 0.00 C ATOM 0 H LEU A 68 -4.802 -0.288 -9.841 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.323 1.504 -7.728 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.813 2.067 -10.665 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.673 3.221 -9.353 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.476 2.613 -9.882 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.638 1.424 -7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.876 2.633 -7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.297 0.904 -7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.678 0.289 -10.072 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.339 -0.295 -9.814 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.946 0.660 -11.263 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.514 1.346 -10.187 1.00 0.00 N ATOM 1041 CA GLN A 69 -8.884 1.674 -10.553 1.00 0.00 C ATOM 1042 C GLN A 69 -9.854 1.048 -9.563 1.00 0.00 C ATOM 1043 O GLN A 69 -11.001 1.481 -9.437 1.00 0.00 O ATOM 1044 CB GLN A 69 -9.202 1.187 -11.967 1.00 0.00 C ATOM 1045 CG GLN A 69 -8.399 1.879 -13.053 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.788 1.415 -14.442 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -9.930 1.020 -14.681 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -7.850 1.471 -15.371 1.00 0.00 N ATOM 0 H GLN A 69 -7.035 0.736 -10.850 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.992 2.758 -10.528 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.018 0.114 -12.021 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.264 1.338 -12.162 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.545 2.957 -12.978 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.338 1.689 -12.893 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.916 1.804 -15.133 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.060 1.181 -16.326 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.380 0.030 -8.854 1.00 0.00 N ATOM 1058 CA ASN A 70 -10.190 -0.638 -7.844 1.00 0.00 C ATOM 1059 C ASN A 70 -10.112 0.144 -6.540 1.00 0.00 C ATOM 1060 O ASN A 70 -11.042 0.146 -5.737 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.711 -2.081 -7.633 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.645 -2.891 -6.750 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -11.857 -2.668 -6.731 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -10.091 -3.843 -6.015 1.00 0.00 N ATOM 0 H ASN A 70 -8.439 -0.350 -8.960 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.225 -0.674 -8.183 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.617 -2.573 -8.601 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.717 -2.067 -7.185 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.671 -4.421 -5.407 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.084 -3.999 -6.057 1.00 0.00 H new ATOM 1071 N PHE A 71 -8.990 0.824 -6.348 1.00 0.00 N ATOM 1072 CA PHE A 71 -8.794 1.678 -5.187 1.00 0.00 C ATOM 1073 C PHE A 71 -9.527 3.002 -5.396 1.00 0.00 C ATOM 1074 O PHE A 71 -10.337 3.417 -4.567 1.00 0.00 O ATOM 1075 CB PHE A 71 -7.296 1.932 -4.970 1.00 0.00 C ATOM 1076 CG PHE A 71 -6.932 2.363 -3.573 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -7.423 3.544 -3.036 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -6.094 1.579 -2.795 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -7.085 3.932 -1.753 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -5.752 1.964 -1.513 1.00 0.00 C ATOM 1081 CZ PHE A 71 -6.250 3.141 -0.991 1.00 0.00 C ATOM 0 H PHE A 71 -8.196 0.799 -6.988 1.00 0.00 H new ATOM 0 HA PHE A 71 -9.196 1.183 -4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.747 1.021 -5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.965 2.698 -5.671 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.077 4.168 -3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.704 0.655 -3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.474 4.854 -1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.096 1.345 -0.920 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.986 3.442 0.012 1.00 0.00 H new ATOM 1091 N SER A 72 -9.232 3.653 -6.515 1.00 0.00 N ATOM 1092 CA SER A 72 -9.830 4.934 -6.863 1.00 0.00 C ATOM 1093 C SER A 72 -9.862 5.092 -8.385 1.00 0.00 C ATOM 1094 O SER A 72 -8.900 4.761 -9.075 1.00 0.00 O ATOM 1095 CB SER A 72 -9.025 6.072 -6.227 1.00 0.00 C ATOM 1096 OG SER A 72 -8.920 5.895 -4.823 1.00 0.00 O ATOM 0 H SER A 72 -8.569 3.305 -7.208 1.00 0.00 H new ATOM 0 HA SER A 72 -10.851 4.972 -6.483 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.029 6.109 -6.668 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.505 7.027 -6.442 1.00 0.00 H new ATOM 0 HG SER A 72 -8.401 6.632 -4.438 1.00 0.00 H new ATOM 1102 N ALA A 73 -10.974 5.603 -8.897 1.00 0.00 N ATOM 1103 CA ALA A 73 -11.194 5.696 -10.336 1.00 0.00 C ATOM 1104 C ALA A 73 -10.215 6.661 -10.998 1.00 0.00 C ATOM 1105 O ALA A 73 -9.908 6.529 -12.185 1.00 0.00 O ATOM 1106 CB ALA A 73 -12.628 6.116 -10.621 1.00 0.00 C ATOM 0 H ALA A 73 -11.744 5.962 -8.333 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.018 4.709 -10.763 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.780 6.182 -11.698 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.313 5.379 -10.202 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.819 7.088 -10.167 1.00 0.00 H new ATOM 1112 N GLY A 74 -9.723 7.622 -10.227 1.00 0.00 N ATOM 1113 CA GLY A 74 -8.784 8.589 -10.761 1.00 0.00 C ATOM 1114 C GLY A 74 -7.339 8.224 -10.478 1.00 0.00 C ATOM 1115 O GLY A 74 -6.439 9.044 -10.660 1.00 0.00 O ATOM 0 H GLY A 74 -9.957 7.749 -9.242 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.929 8.672 -11.838 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.997 9.569 -10.334 1.00 0.00 H new ATOM 1119 N ALA A 75 -7.112 6.993 -10.036 1.00 0.00 N ATOM 1120 CA ALA A 75 -5.764 6.531 -9.735 1.00 0.00 C ATOM 1121 C ALA A 75 -5.074 6.021 -10.997 1.00 0.00 C ATOM 1122 O ALA A 75 -5.681 5.327 -11.814 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.803 5.448 -8.666 1.00 0.00 C ATOM 0 H ALA A 75 -7.842 6.299 -9.879 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.187 7.373 -9.352 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.789 5.112 -8.451 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.252 5.849 -7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.396 4.606 -9.023 1.00 0.00 H new ATOM 1129 N ARG A 76 -3.806 6.383 -11.149 1.00 0.00 N ATOM 1130 CA ARG A 76 -3.021 6.009 -12.319 1.00 0.00 C ATOM 1131 C ARG A 76 -2.592 4.554 -12.251 1.00 0.00 C ATOM 1132 O ARG A 76 -2.186 4.074 -11.196 1.00 0.00 O ATOM 1133 CB ARG A 76 -1.781 6.897 -12.422 1.00 0.00 C ATOM 1134 CG ARG A 76 -2.101 8.365 -12.645 1.00 0.00 C ATOM 1135 CD ARG A 76 -2.797 8.573 -13.978 1.00 0.00 C ATOM 1136 NE ARG A 76 -3.141 9.970 -14.214 1.00 0.00 N ATOM 1137 CZ ARG A 76 -3.447 10.461 -15.410 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -3.429 9.677 -16.479 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -3.769 11.738 -15.537 1.00 0.00 N ATOM 0 H ARG A 76 -3.294 6.942 -10.467 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.648 6.145 -13.200 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.195 6.796 -11.508 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.157 6.541 -13.242 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.737 8.729 -11.838 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.182 8.950 -12.615 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.150 8.220 -14.781 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.703 7.968 -14.010 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.147 10.606 -13.416 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.180 8.692 -16.385 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.665 10.058 -17.395 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.782 12.345 -14.717 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.004 12.116 -16.455 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.676 3.856 -13.377 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.251 2.468 -13.435 1.00 0.00 C ATOM 1155 C ALA A 77 -0.743 2.372 -13.272 1.00 0.00 C ATOM 1156 O ALA A 77 0.019 2.884 -14.096 1.00 0.00 O ATOM 1157 CB ALA A 77 -2.683 1.819 -14.742 1.00 0.00 C ATOM 0 H ALA A 77 -3.033 4.228 -14.257 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.730 1.932 -12.616 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.352 0.781 -14.759 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.769 1.855 -14.825 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.237 2.356 -15.579 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.318 1.713 -12.209 1.00 0.00 N ATOM 1164 CA LEU A 78 1.097 1.551 -11.922 1.00 0.00 C ATOM 1165 C LEU A 78 1.732 0.634 -12.951 1.00 0.00 C ATOM 1166 O LEU A 78 1.419 -0.555 -13.012 1.00 0.00 O ATOM 1167 CB LEU A 78 1.286 0.981 -10.520 1.00 0.00 C ATOM 1168 CG LEU A 78 0.670 1.807 -9.392 1.00 0.00 C ATOM 1169 CD1 LEU A 78 0.985 1.170 -8.051 1.00 0.00 C ATOM 1170 CD2 LEU A 78 1.162 3.249 -9.434 1.00 0.00 C ATOM 0 H LEU A 78 -0.937 1.278 -11.525 1.00 0.00 H new ATOM 0 HA LEU A 78 1.582 2.526 -11.971 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.856 -0.020 -10.492 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.354 0.875 -10.329 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.411 1.824 -9.528 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.542 1.765 -7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.574 0.161 -8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.065 1.126 -7.914 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.707 3.813 -8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.246 3.267 -9.326 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.885 3.700 -10.387 1.00 0.00 H new ATOM 1182 N SER A 79 2.622 1.181 -13.758 1.00 0.00 N ATOM 1183 CA SER A 79 3.156 0.448 -14.890 1.00 0.00 C ATOM 1184 C SER A 79 4.676 0.399 -14.863 1.00 0.00 C ATOM 1185 O SER A 79 5.315 1.112 -14.087 1.00 0.00 O ATOM 1186 CB SER A 79 2.676 1.098 -16.188 1.00 0.00 C ATOM 1187 OG SER A 79 1.268 1.284 -16.177 1.00 0.00 O ATOM 0 H SER A 79 2.989 2.127 -13.651 1.00 0.00 H new ATOM 0 HA SER A 79 2.794 -0.578 -14.832 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.172 2.059 -16.322 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.957 0.474 -17.036 1.00 0.00 H new ATOM 0 HG SER A 79 1.032 1.955 -15.503 1.00 0.00 H new ATOM 1193 N ASP A 80 5.232 -0.469 -15.706 1.00 0.00 N ATOM 1194 CA ASP A 80 6.674 -0.569 -15.906 1.00 0.00 C ATOM 1195 C ASP A 80 7.385 -1.008 -14.635 1.00 0.00 C ATOM 1196 O ASP A 80 6.979 -1.980 -13.991 1.00 0.00 O ATOM 1197 CB ASP A 80 7.249 0.759 -16.419 1.00 0.00 C ATOM 1198 CG ASP A 80 6.739 1.126 -17.798 1.00 0.00 C ATOM 1199 OD1 ASP A 80 5.617 1.668 -17.901 1.00 0.00 O ATOM 1200 OD2 ASP A 80 7.460 0.884 -18.789 1.00 0.00 O ATOM 0 H ASP A 80 4.692 -1.124 -16.271 1.00 0.00 H new ATOM 0 HA ASP A 80 6.847 -1.334 -16.663 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.994 1.555 -15.719 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.337 0.693 -16.445 1.00 0.00 H new ATOM 1205 N ALA A 81 8.439 -0.289 -14.273 1.00 0.00 N ATOM 1206 CA ALA A 81 9.291 -0.694 -13.174 1.00 0.00 C ATOM 1207 C ALA A 81 8.572 -0.556 -11.840 1.00 0.00 C ATOM 1208 O ALA A 81 8.887 -1.265 -10.885 1.00 0.00 O ATOM 1209 CB ALA A 81 10.582 0.107 -13.178 1.00 0.00 C ATOM 0 H ALA A 81 8.721 0.579 -14.728 1.00 0.00 H new ATOM 0 HA ALA A 81 9.539 -1.747 -13.309 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.210 -0.211 -12.345 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.111 -0.060 -14.116 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.352 1.168 -13.075 1.00 0.00 H new ATOM 1215 N GLU A 82 7.598 0.345 -11.783 1.00 0.00 N ATOM 1216 CA GLU A 82 6.799 0.535 -10.587 1.00 0.00 C ATOM 1217 C GLU A 82 6.134 -0.775 -10.194 1.00 0.00 C ATOM 1218 O GLU A 82 6.256 -1.219 -9.059 1.00 0.00 O ATOM 1219 CB GLU A 82 5.767 1.641 -10.830 1.00 0.00 C ATOM 1220 CG GLU A 82 4.620 1.661 -9.838 1.00 0.00 C ATOM 1221 CD GLU A 82 5.048 1.915 -8.406 1.00 0.00 C ATOM 1222 OE1 GLU A 82 5.734 2.923 -8.152 1.00 0.00 O ATOM 1223 OE2 GLU A 82 4.666 1.114 -7.527 1.00 0.00 O ATOM 0 H GLU A 82 7.345 0.957 -12.559 1.00 0.00 H new ATOM 0 HA GLU A 82 7.438 0.844 -9.760 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.273 2.606 -10.800 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.360 1.526 -11.835 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.909 2.431 -10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.095 0.707 -9.886 1.00 0.00 H new ATOM 1230 N THR A 83 5.471 -1.429 -11.134 1.00 0.00 N ATOM 1231 CA THR A 83 4.867 -2.704 -10.820 1.00 0.00 C ATOM 1232 C THR A 83 5.938 -3.765 -10.621 1.00 0.00 C ATOM 1233 O THR A 83 5.954 -4.428 -9.614 1.00 0.00 O ATOM 1234 CB THR A 83 3.878 -3.177 -11.889 1.00 0.00 C ATOM 1235 OG1 THR A 83 3.693 -2.147 -12.871 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.542 -3.540 -11.254 1.00 0.00 C ATOM 0 H THR A 83 5.342 -1.106 -12.093 1.00 0.00 H new ATOM 0 HA THR A 83 4.306 -2.557 -9.897 1.00 0.00 H new ATOM 0 HB THR A 83 4.284 -4.065 -12.374 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.823 -1.717 -12.734 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.850 -3.874 -12.027 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.689 -4.340 -10.529 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.129 -2.666 -10.751 1.00 0.00 H new ATOM 1244 N LYS A 84 6.862 -3.910 -11.553 1.00 0.00 N ATOM 1245 CA LYS A 84 7.857 -4.966 -11.437 1.00 0.00 C ATOM 1246 C LYS A 84 8.533 -4.949 -10.066 1.00 0.00 C ATOM 1247 O LYS A 84 8.512 -5.937 -9.342 1.00 0.00 O ATOM 1248 CB LYS A 84 8.908 -4.840 -12.535 1.00 0.00 C ATOM 1249 CG LYS A 84 8.352 -4.977 -13.941 1.00 0.00 C ATOM 1250 CD LYS A 84 7.621 -6.301 -14.123 1.00 0.00 C ATOM 1251 CE LYS A 84 7.131 -6.491 -15.550 1.00 0.00 C ATOM 1252 NZ LYS A 84 8.252 -6.602 -16.520 1.00 0.00 N ATOM 0 H LYS A 84 6.947 -3.324 -12.384 1.00 0.00 H new ATOM 0 HA LYS A 84 7.337 -5.917 -11.550 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.400 -3.872 -12.443 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.672 -5.602 -12.382 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.670 -4.152 -14.146 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.165 -4.906 -14.664 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.286 -7.122 -13.856 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.773 -6.343 -13.440 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.516 -7.389 -15.604 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.494 -5.651 -15.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.887 -6.930 -17.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.701 -5.672 -16.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.954 -7.282 -16.163 1.00 0.00 H new ATOM 1266 N VAL A 85 9.071 -3.809 -9.686 1.00 0.00 N ATOM 1267 CA VAL A 85 9.823 -3.712 -8.448 1.00 0.00 C ATOM 1268 C VAL A 85 8.908 -3.668 -7.229 1.00 0.00 C ATOM 1269 O VAL A 85 9.099 -4.412 -6.268 1.00 0.00 O ATOM 1270 CB VAL A 85 10.711 -2.458 -8.439 1.00 0.00 C ATOM 1271 CG1 VAL A 85 11.628 -2.462 -7.228 1.00 0.00 C ATOM 1272 CG2 VAL A 85 11.505 -2.365 -9.730 1.00 0.00 C ATOM 0 H VAL A 85 9.003 -2.938 -10.213 1.00 0.00 H new ATOM 0 HA VAL A 85 10.444 -4.606 -8.393 1.00 0.00 H new ATOM 0 HB VAL A 85 10.073 -1.577 -8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.249 -1.566 -7.239 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.029 -2.477 -6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.265 -3.346 -7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.129 -1.472 -9.710 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.137 -3.247 -9.833 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.819 -2.309 -10.576 1.00 0.00 H new ATOM 1282 N PHE A 86 7.910 -2.807 -7.279 1.00 0.00 N ATOM 1283 CA PHE A 86 7.106 -2.504 -6.112 1.00 0.00 C ATOM 1284 C PHE A 86 5.929 -3.466 -5.928 1.00 0.00 C ATOM 1285 O PHE A 86 5.378 -3.577 -4.838 1.00 0.00 O ATOM 1286 CB PHE A 86 6.650 -1.061 -6.204 1.00 0.00 C ATOM 1287 CG PHE A 86 7.699 -0.093 -5.740 1.00 0.00 C ATOM 1288 CD1 PHE A 86 8.166 -0.142 -4.436 1.00 0.00 C ATOM 1289 CD2 PHE A 86 8.222 0.856 -6.599 1.00 0.00 C ATOM 1290 CE1 PHE A 86 9.133 0.738 -3.997 1.00 0.00 C ATOM 1291 CE2 PHE A 86 9.192 1.740 -6.164 1.00 0.00 C ATOM 1292 CZ PHE A 86 9.647 1.680 -4.862 1.00 0.00 C ATOM 0 H PHE A 86 7.636 -2.302 -8.122 1.00 0.00 H new ATOM 0 HA PHE A 86 7.720 -2.641 -5.222 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.382 -0.834 -7.236 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.749 -0.930 -5.605 1.00 0.00 H new ATOM 0 HD1 PHE A 86 7.767 -0.879 -3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.870 0.907 -7.619 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.487 0.689 -2.978 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.594 2.478 -6.843 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.405 2.370 -4.522 1.00 0.00 H new ATOM 1302 N LEU A 87 5.552 -4.158 -6.985 1.00 0.00 N ATOM 1303 CA LEU A 87 4.591 -5.253 -6.892 1.00 0.00 C ATOM 1304 C LEU A 87 5.338 -6.501 -6.407 1.00 0.00 C ATOM 1305 O LEU A 87 4.778 -7.346 -5.711 1.00 0.00 O ATOM 1306 CB LEU A 87 3.861 -5.392 -8.267 1.00 0.00 C ATOM 1307 CG LEU A 87 3.428 -6.770 -8.810 1.00 0.00 C ATOM 1308 CD1 LEU A 87 4.616 -7.663 -9.142 1.00 0.00 C ATOM 1309 CD2 LEU A 87 2.479 -7.457 -7.865 1.00 0.00 C ATOM 0 H LEU A 87 5.897 -3.983 -7.929 1.00 0.00 H new ATOM 0 HA LEU A 87 3.801 -5.075 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.964 -4.775 -8.214 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.511 -4.945 -9.019 1.00 0.00 H new ATOM 0 HG LEU A 87 2.900 -6.586 -9.745 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.257 -8.620 -9.520 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.232 -7.181 -9.901 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.210 -7.828 -8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.193 -8.425 -8.276 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.967 -7.602 -6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.589 -6.842 -7.732 1.00 0.00 H new ATOM 1321 N LYS A 88 6.632 -6.577 -6.725 1.00 0.00 N ATOM 1322 CA LYS A 88 7.492 -7.612 -6.161 1.00 0.00 C ATOM 1323 C LYS A 88 7.911 -7.274 -4.730 1.00 0.00 C ATOM 1324 O LYS A 88 8.396 -8.142 -4.005 1.00 0.00 O ATOM 1325 CB LYS A 88 8.727 -7.839 -7.030 1.00 0.00 C ATOM 1326 CG LYS A 88 8.451 -8.677 -8.264 1.00 0.00 C ATOM 1327 CD LYS A 88 8.093 -10.100 -7.883 1.00 0.00 C ATOM 1328 CE LYS A 88 7.929 -10.981 -9.109 1.00 0.00 C ATOM 1329 NZ LYS A 88 9.145 -10.972 -9.963 1.00 0.00 N ATOM 0 H LYS A 88 7.102 -5.938 -7.366 1.00 0.00 H new ATOM 0 HA LYS A 88 6.910 -8.534 -6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.128 -6.873 -7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.497 -8.328 -6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.635 -8.233 -8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.328 -8.679 -8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.870 -10.512 -7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.168 -10.101 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.712 -12.002 -8.796 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.074 -10.638 -9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.142 -11.809 -10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.153 -10.111 -10.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.993 -10.989 -9.360 1.00 0.00 H new ATOM 1343 N ALA A 89 7.743 -6.009 -4.332 1.00 0.00 N ATOM 1344 CA ALA A 89 8.045 -5.584 -2.963 1.00 0.00 C ATOM 1345 C ALA A 89 7.313 -6.458 -1.960 1.00 0.00 C ATOM 1346 O ALA A 89 7.837 -6.784 -0.896 1.00 0.00 O ATOM 1347 CB ALA A 89 7.664 -4.124 -2.744 1.00 0.00 C ATOM 0 H ALA A 89 7.400 -5.263 -4.938 1.00 0.00 H new ATOM 0 HA ALA A 89 9.120 -5.689 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.899 -3.836 -1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.224 -3.494 -3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.596 -3.996 -2.920 1.00 0.00 H new ATOM 1353 N GLY A 90 6.098 -6.835 -2.315 1.00 0.00 N ATOM 1354 CA GLY A 90 5.330 -7.720 -1.478 1.00 0.00 C ATOM 1355 C GLY A 90 5.632 -9.163 -1.788 1.00 0.00 C ATOM 1356 O GLY A 90 5.951 -9.941 -0.890 1.00 0.00 O ATOM 0 H GLY A 90 5.630 -6.541 -3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.551 -7.517 -0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.267 -7.529 -1.622 1.00 0.00 H new ATOM 1360 N ASP A 91 5.558 -9.506 -3.072 1.00 0.00 N ATOM 1361 CA ASP A 91 5.798 -10.870 -3.528 1.00 0.00 C ATOM 1362 C ASP A 91 7.211 -11.309 -3.165 1.00 0.00 C ATOM 1363 O ASP A 91 8.178 -10.998 -3.861 1.00 0.00 O ATOM 1364 CB ASP A 91 5.601 -10.967 -5.034 1.00 0.00 C ATOM 1365 CG ASP A 91 5.560 -12.401 -5.511 1.00 0.00 C ATOM 1366 OD1 ASP A 91 5.080 -13.273 -4.748 1.00 0.00 O ATOM 1367 OD2 ASP A 91 6.005 -12.666 -6.643 1.00 0.00 O ATOM 0 H ASP A 91 5.332 -8.850 -3.820 1.00 0.00 H new ATOM 0 HA ASP A 91 5.084 -11.528 -3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.673 -10.467 -5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.410 -10.440 -5.540 1.00 0.00 H new ATOM 1372 N SER A 92 7.314 -12.046 -2.078 1.00 0.00 N ATOM 1373 CA SER A 92 8.593 -12.397 -1.505 1.00 0.00 C ATOM 1374 C SER A 92 9.063 -13.728 -2.060 1.00 0.00 C ATOM 1375 O SER A 92 10.260 -13.991 -2.149 1.00 0.00 O ATOM 1376 CB SER A 92 8.466 -12.465 0.017 1.00 0.00 C ATOM 1377 OG SER A 92 7.853 -11.289 0.525 1.00 0.00 O ATOM 0 H SER A 92 6.512 -12.417 -1.568 1.00 0.00 H new ATOM 0 HA SER A 92 9.330 -11.637 -1.766 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.877 -13.338 0.299 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.453 -12.588 0.464 1.00 0.00 H new ATOM 0 HG SER A 92 7.249 -10.917 -0.151 1.00 0.00 H new ATOM 1383 N ASP A 93 8.108 -14.557 -2.453 1.00 0.00 N ATOM 1384 CA ASP A 93 8.427 -15.867 -3.004 1.00 0.00 C ATOM 1385 C ASP A 93 8.669 -15.773 -4.506 1.00 0.00 C ATOM 1386 O ASP A 93 9.088 -16.738 -5.145 1.00 0.00 O ATOM 1387 CB ASP A 93 7.322 -16.885 -2.694 1.00 0.00 C ATOM 1388 CG ASP A 93 6.026 -16.617 -3.432 1.00 0.00 C ATOM 1389 OD1 ASP A 93 5.506 -15.481 -3.351 1.00 0.00 O ATOM 1390 OD2 ASP A 93 5.505 -17.549 -4.073 1.00 0.00 O ATOM 0 H ASP A 93 7.111 -14.349 -2.402 1.00 0.00 H new ATOM 0 HA ASP A 93 9.343 -16.216 -2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.677 -17.883 -2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.127 -16.882 -1.622 1.00 0.00 H new ATOM 1395 N GLY A 94 8.406 -14.586 -5.050 1.00 0.00 N ATOM 1396 CA GLY A 94 8.716 -14.298 -6.438 1.00 0.00 C ATOM 1397 C GLY A 94 7.917 -15.134 -7.410 1.00 0.00 C ATOM 1398 O GLY A 94 8.455 -15.633 -8.396 1.00 0.00 O ATOM 0 H GLY A 94 7.978 -13.810 -4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.527 -13.243 -6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.779 -14.469 -6.610 1.00 0.00 H new ATOM 1402 N ASP A 95 6.628 -15.267 -7.152 1.00 0.00 N ATOM 1403 CA ASP A 95 5.780 -16.120 -7.969 1.00 0.00 C ATOM 1404 C ASP A 95 5.047 -15.308 -9.037 1.00 0.00 C ATOM 1405 O ASP A 95 4.562 -15.868 -10.022 1.00 0.00 O ATOM 1406 CB ASP A 95 4.779 -16.886 -7.097 1.00 0.00 C ATOM 1407 CG ASP A 95 3.648 -16.022 -6.577 1.00 0.00 C ATOM 1408 OD1 ASP A 95 3.827 -15.341 -5.532 1.00 0.00 O ATOM 1409 OD2 ASP A 95 2.570 -16.032 -7.201 1.00 0.00 O ATOM 0 H ASP A 95 6.146 -14.797 -6.386 1.00 0.00 H new ATOM 0 HA ASP A 95 6.422 -16.842 -8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.360 -17.710 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.308 -17.327 -6.252 1.00 0.00 H new ATOM 1414 N GLY A 96 4.985 -13.991 -8.858 1.00 0.00 N ATOM 1415 CA GLY A 96 4.342 -13.148 -9.853 1.00 0.00 C ATOM 1416 C GLY A 96 2.954 -12.694 -9.437 1.00 0.00 C ATOM 1417 O GLY A 96 2.078 -12.495 -10.282 1.00 0.00 O ATOM 0 H GLY A 96 5.364 -13.496 -8.051 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.965 -12.273 -10.037 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.273 -13.694 -10.794 1.00 0.00 H new ATOM 1421 N LYS A 97 2.747 -12.554 -8.138 1.00 0.00 N ATOM 1422 CA LYS A 97 1.454 -12.154 -7.598 1.00 0.00 C ATOM 1423 C LYS A 97 1.666 -11.271 -6.388 1.00 0.00 C ATOM 1424 O LYS A 97 2.788 -11.106 -5.922 1.00 0.00 O ATOM 1425 CB LYS A 97 0.655 -13.394 -7.166 1.00 0.00 C ATOM 1426 CG LYS A 97 0.965 -13.852 -5.743 1.00 0.00 C ATOM 1427 CD LYS A 97 0.292 -15.172 -5.401 1.00 0.00 C ATOM 1428 CE LYS A 97 -1.199 -15.010 -5.179 1.00 0.00 C ATOM 1429 NZ LYS A 97 -1.841 -16.298 -4.802 1.00 0.00 N ATOM 0 H LYS A 97 3.464 -12.713 -7.430 1.00 0.00 H new ATOM 0 HA LYS A 97 0.903 -11.614 -8.368 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.410 -13.176 -7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.866 -14.211 -7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.044 -13.955 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.638 -13.087 -5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.463 -15.885 -6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.749 -15.590 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.372 -14.273 -4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.663 -14.624 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.795 -16.115 -4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.907 -16.911 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.270 -16.770 -4.072 1.00 0.00 H new ATOM 1443 N ILE A 98 0.596 -10.708 -5.883 1.00 0.00 N ATOM 1444 CA ILE A 98 0.636 -10.111 -4.575 1.00 0.00 C ATOM 1445 C ILE A 98 -0.101 -11.006 -3.609 1.00 0.00 C ATOM 1446 O ILE A 98 -1.329 -11.114 -3.637 1.00 0.00 O ATOM 1447 CB ILE A 98 0.065 -8.670 -4.538 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.168 -7.659 -4.832 1.00 0.00 C ATOM 1449 CG2 ILE A 98 -0.575 -8.351 -3.193 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.316 -7.710 -3.846 1.00 0.00 C ATOM 0 H ILE A 98 -0.306 -10.652 -6.355 1.00 0.00 H new ATOM 0 HA ILE A 98 1.682 -10.018 -4.285 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.707 -8.604 -5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.554 -7.837 -5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.741 -6.656 -4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.963 -7.333 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.392 -9.048 -3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.171 -8.444 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.062 -6.964 -4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 98 1.944 -7.502 -2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.770 -8.701 -3.867 1.00 0.00 H new ATOM 1462 N GLY A 99 0.657 -11.720 -2.806 1.00 0.00 N ATOM 1463 CA GLY A 99 0.058 -12.391 -1.698 1.00 0.00 C ATOM 1464 C GLY A 99 -0.497 -11.363 -0.754 1.00 0.00 C ATOM 1465 O GLY A 99 0.137 -10.338 -0.522 1.00 0.00 O ATOM 0 H GLY A 99 1.665 -11.843 -2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.735 -13.055 -2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.795 -13.012 -1.189 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.680 -11.602 -0.246 1.00 0.00 N ATOM 1470 CA VAL A 100 -2.316 -10.670 0.665 1.00 0.00 C ATOM 1471 C VAL A 100 -1.411 -10.392 1.862 1.00 0.00 C ATOM 1472 O VAL A 100 -1.221 -9.245 2.269 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.675 -11.235 1.101 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -4.130 -10.667 2.433 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -4.711 -10.979 0.013 1.00 0.00 C ATOM 0 H VAL A 100 -2.229 -12.438 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.484 -9.719 0.160 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.564 -12.310 1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.096 -11.096 2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.398 -10.913 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.223 -9.584 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.674 -11.381 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.804 -9.906 -0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.397 -11.466 -0.910 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.809 -11.449 2.381 1.00 0.00 N ATOM 1486 CA ASP A 101 0.153 -11.327 3.463 1.00 0.00 C ATOM 1487 C ASP A 101 1.431 -10.656 2.964 1.00 0.00 C ATOM 1488 O ASP A 101 2.046 -9.852 3.669 1.00 0.00 O ATOM 1489 CB ASP A 101 0.467 -12.706 4.029 1.00 0.00 C ATOM 1490 CG ASP A 101 1.437 -12.643 5.191 1.00 0.00 C ATOM 1491 OD1 ASP A 101 1.011 -12.271 6.305 1.00 0.00 O ATOM 1492 OD2 ASP A 101 2.629 -12.965 4.998 1.00 0.00 O ATOM 0 H ASP A 101 -0.971 -12.406 2.068 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.276 -10.708 4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.458 -13.181 4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.887 -13.333 3.242 1.00 0.00 H new ATOM 1497 N GLU A 102 1.805 -10.979 1.728 1.00 0.00 N ATOM 1498 CA GLU A 102 2.993 -10.408 1.106 1.00 0.00 C ATOM 1499 C GLU A 102 2.846 -8.887 0.957 1.00 0.00 C ATOM 1500 O GLU A 102 3.807 -8.140 1.139 1.00 0.00 O ATOM 1501 CB GLU A 102 3.253 -11.059 -0.268 1.00 0.00 C ATOM 1502 CG GLU A 102 3.396 -12.580 -0.219 1.00 0.00 C ATOM 1503 CD GLU A 102 4.132 -13.165 -1.422 1.00 0.00 C ATOM 1504 OE1 GLU A 102 3.529 -13.324 -2.516 1.00 0.00 O ATOM 1505 OE2 GLU A 102 5.326 -13.484 -1.277 1.00 0.00 O ATOM 0 H GLU A 102 1.298 -11.637 1.136 1.00 0.00 H new ATOM 0 HA GLU A 102 3.847 -10.612 1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.434 -10.803 -0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.161 -10.633 -0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.928 -12.857 0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.404 -13.028 -0.158 1.00 0.00 H new ATOM 1512 N PHE A 103 1.633 -8.439 0.645 1.00 0.00 N ATOM 1513 CA PHE A 103 1.354 -7.016 0.465 1.00 0.00 C ATOM 1514 C PHE A 103 1.516 -6.263 1.778 1.00 0.00 C ATOM 1515 O PHE A 103 2.146 -5.204 1.820 1.00 0.00 O ATOM 1516 CB PHE A 103 -0.064 -6.807 -0.075 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.324 -5.407 -0.561 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.158 -4.992 -1.791 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -1.048 -4.509 0.206 1.00 0.00 C ATOM 1520 CE1 PHE A 103 -0.075 -3.709 -2.247 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.286 -3.224 -0.246 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.797 -2.823 -1.473 1.00 0.00 C ATOM 0 H PHE A 103 0.823 -9.044 0.511 1.00 0.00 H new ATOM 0 HA PHE A 103 2.071 -6.625 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.238 -7.505 -0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.782 -7.050 0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.723 -5.680 -2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.431 -4.816 1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.307 -3.399 -3.208 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.854 -2.534 0.361 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.979 -1.819 -1.826 1.00 0.00 H new ATOM 1532 N GLY A 104 0.947 -6.816 2.845 1.00 0.00 N ATOM 1533 CA GLY A 104 1.054 -6.194 4.153 1.00 0.00 C ATOM 1534 C GLY A 104 2.494 -5.958 4.553 1.00 0.00 C ATOM 1535 O GLY A 104 2.830 -4.928 5.143 1.00 0.00 O ATOM 0 H GLY A 104 0.413 -7.685 2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.519 -5.244 4.148 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.571 -6.828 4.896 1.00 0.00 H new ATOM 1539 N ALA A 105 3.349 -6.907 4.200 1.00 0.00 N ATOM 1540 CA ALA A 105 4.768 -6.802 4.491 1.00 0.00 C ATOM 1541 C ALA A 105 5.396 -5.610 3.778 1.00 0.00 C ATOM 1542 O ALA A 105 6.230 -4.919 4.353 1.00 0.00 O ATOM 1543 CB ALA A 105 5.480 -8.090 4.106 1.00 0.00 C ATOM 0 H ALA A 105 3.082 -7.761 3.710 1.00 0.00 H new ATOM 0 HA ALA A 105 4.881 -6.643 5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.543 -7.999 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.060 -8.921 4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.347 -8.274 3.040 1.00 0.00 H new ATOM 1549 N MET A 106 4.978 -5.348 2.538 1.00 0.00 N ATOM 1550 CA MET A 106 5.566 -4.256 1.760 1.00 0.00 C ATOM 1551 C MET A 106 5.111 -2.901 2.303 1.00 0.00 C ATOM 1552 O MET A 106 5.809 -1.900 2.147 1.00 0.00 O ATOM 1553 CB MET A 106 5.215 -4.357 0.263 1.00 0.00 C ATOM 1554 CG MET A 106 3.990 -3.546 -0.137 1.00 0.00 C ATOM 1555 SD MET A 106 3.906 -3.178 -1.901 1.00 0.00 S ATOM 1556 CE MET A 106 3.544 -4.792 -2.576 1.00 0.00 C ATOM 0 H MET A 106 4.245 -5.869 2.056 1.00 0.00 H new ATOM 0 HA MET A 106 6.648 -4.343 1.859 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.069 -4.021 -0.324 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.045 -5.403 0.009 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.093 -4.093 0.154 1.00 0.00 H new ATOM 0 HG3 MET A 106 3.988 -2.609 0.421 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.371 -5.116 -3.207 1.00 0.00 H new ATOM 0 HE2 MET A 106 3.407 -5.504 -1.762 1.00 0.00 H new ATOM 0 HE3 MET A 106 2.632 -4.741 -3.171 1.00 0.00 H new ATOM 1566 N ILE A 107 3.942 -2.874 2.943 1.00 0.00 N ATOM 1567 CA ILE A 107 3.403 -1.634 3.493 1.00 0.00 C ATOM 1568 C ILE A 107 4.176 -1.264 4.744 1.00 0.00 C ATOM 1569 O ILE A 107 4.427 -0.092 5.032 1.00 0.00 O ATOM 1570 CB ILE A 107 1.904 -1.763 3.864 1.00 0.00 C ATOM 1571 CG1 ILE A 107 1.092 -2.287 2.680 1.00 0.00 C ATOM 1572 CG2 ILE A 107 1.353 -0.420 4.327 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.355 -2.565 3.026 1.00 0.00 C ATOM 0 H ILE A 107 3.354 -3.694 3.092 1.00 0.00 H new ATOM 0 HA ILE A 107 3.502 -0.866 2.726 1.00 0.00 H new ATOM 0 HB ILE A 107 1.818 -2.479 4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.132 -1.559 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.552 -3.203 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.299 -0.528 4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.907 -0.082 5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.458 0.312 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.876 -2.934 2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.403 -3.315 3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.830 -1.646 3.370 1.00 0.00 H new ATOM 1585 N LYS A 108 4.565 -2.294 5.466 1.00 0.00 N ATOM 1586 CA LYS A 108 5.210 -2.138 6.753 1.00 0.00 C ATOM 1587 C LYS A 108 6.738 -2.147 6.613 1.00 0.00 C ATOM 1588 O LYS A 108 7.460 -1.829 7.556 1.00 0.00 O ATOM 1589 CB LYS A 108 4.695 -3.256 7.673 1.00 0.00 C ATOM 1590 CG LYS A 108 5.300 -3.283 9.072 1.00 0.00 C ATOM 1591 CD LYS A 108 6.475 -4.246 9.164 1.00 0.00 C ATOM 1592 CE LYS A 108 6.033 -5.692 8.994 1.00 0.00 C ATOM 1593 NZ LYS A 108 7.166 -6.641 9.149 1.00 0.00 N ATOM 0 H LYS A 108 4.443 -3.264 5.177 1.00 0.00 H new ATOM 0 HA LYS A 108 4.963 -1.171 7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.613 -3.158 7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.888 -4.216 7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.630 -2.280 9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.535 -3.573 9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.210 -3.998 8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.968 -4.127 10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.262 -5.924 9.729 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.584 -5.821 8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.822 -7.615 9.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.891 -6.436 8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.579 -6.537 10.098 1.00 0.00 H new ATOM 1607 N ALA A 109 7.220 -2.480 5.422 1.00 0.00 N ATOM 1608 CA ALA A 109 8.657 -2.545 5.168 1.00 0.00 C ATOM 1609 C ALA A 109 9.236 -1.153 4.942 1.00 0.00 C ATOM 1610 O ALA A 109 9.738 -0.551 5.910 1.00 0.00 O ATOM 1611 CB ALA A 109 8.949 -3.439 3.971 1.00 0.00 C ATOM 1612 OXT ALA A 109 9.182 -0.658 3.793 1.00 0.00 O ATOM 0 H ALA A 109 6.639 -2.709 4.616 1.00 0.00 H new ATOM 0 HA ALA A 109 9.134 -2.974 6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.024 -3.475 3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.580 -4.445 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.452 -3.038 3.088 1.00 0.00 H new TER 1618 ALA A 109 HETATM 1619 CA CA A 201 -7.405 -11.601 -8.270 1.00 0.00 CA HETATM 1620 CA CA A 202 4.132 -14.549 -3.925 1.00 0.00 CA