USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 753 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 86 ASN : amide:sc= -1.2 K(o=-0.23,f=-10!) USER MOD Set 1.2: A 89 SER OG : rot -31:sc= 0.973 USER MOD Set 2.1: A 77 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 78 ASN : amide:sc= -5.38! C(o=-5.4!,f=-6.1!) USER MOD Single : A 4 GLN : amide:sc=-0.000261 K(o=-0.00026,f=-1.6!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= -0.0582 (180deg=-0.425) USER MOD Single : A 14 ASN : amide:sc= -1.81 K(o=-1.8,f=-4.4!) USER MOD Single : A 16 GLN : amide:sc= -2.41 K(o=-2.4,f=-3.8!) USER MOD Single : A 19 ASN : amide:sc= -4.34! C(o=-4.3!,f=-12!) USER MOD Single : A 21 LYS NZ :NH3+ -118:sc= -0.669 (180deg=-2.15!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0334 K(o=-0.033,f=-1.8!) USER MOD Single : A 36 SER OG : rot -62:sc= -1.49! USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 45 THR OG1 : rot -87:sc= 1.19 USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -0.03 (180deg=-0.417) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.0555 (180deg=-0.424) USER MOD Single : A 55 ASN : amide:sc= -0.367 K(o=-0.37,f=-2) USER MOD Single : A 63 GLN : amide:sc= -8.15! C(o=-8.2!,f=-8!) USER MOD Single : A 66 SER OG : rot 70:sc= -1.4 USER MOD Single : A 67 TYR OH : rot 80:sc= -0.199 USER MOD Single : A 71 SER OG : rot 40:sc= -1.47! USER MOD Single : A 82 GLN : amide:sc= -0.98 K(o=-0.98,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.884 K(o=-0.88,f=-2.7!) USER MOD Single : A 87 LYS NZ :NH3+ -164:sc= -0.0336 (180deg=-0.301) USER MOD Single : A 88 ASN : amide:sc= -0.072 K(o=-0.072,f=-2.2!) USER MOD Single : A 90 SER OG : rot -150:sc= -0.143 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -57:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -8.238 11.475 -12.612 1.00 0.00 N ATOM 36 CA PRO A 3 -8.362 10.497 -11.492 1.00 0.00 C ATOM 37 C PRO A 3 -8.501 11.192 -10.134 1.00 0.00 C ATOM 38 O PRO A 3 -8.104 12.328 -9.958 1.00 0.00 O ATOM 39 CB PRO A 3 -7.064 9.679 -11.571 1.00 0.00 C ATOM 40 CG PRO A 3 -6.073 10.593 -12.223 1.00 0.00 C ATOM 41 CD PRO A 3 -6.874 11.495 -13.171 1.00 0.00 C ATOM 0 HA PRO A 3 -9.257 9.881 -11.582 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.728 9.374 -10.580 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.205 8.769 -12.154 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.543 11.186 -11.478 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.322 10.024 -12.771 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.468 12.506 -13.198 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.856 11.117 -14.193 1.00 0.00 H new ATOM 49 N GLN A 4 -9.064 10.511 -9.174 1.00 0.00 N ATOM 50 CA GLN A 4 -9.240 11.118 -7.827 1.00 0.00 C ATOM 51 C GLN A 4 -7.929 11.029 -7.041 1.00 0.00 C ATOM 52 O GLN A 4 -7.463 9.955 -6.693 1.00 0.00 O ATOM 53 CB GLN A 4 -10.345 10.363 -7.083 1.00 0.00 C ATOM 54 CG GLN A 4 -10.547 10.981 -5.699 1.00 0.00 C ATOM 55 CD GLN A 4 -11.748 10.323 -5.014 1.00 0.00 C ATOM 56 OE1 GLN A 4 -12.549 9.675 -5.658 1.00 0.00 O ATOM 57 NE2 GLN A 4 -11.906 10.465 -3.726 1.00 0.00 N ATOM 0 H GLN A 4 -9.411 9.556 -9.266 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.517 12.167 -7.930 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.274 10.406 -7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.079 9.310 -6.987 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.651 10.844 -5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.710 12.055 -5.789 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.233 11.009 -3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.703 10.032 -3.259 1.00 0.00 H new ATOM 66 N LEU A 5 -7.327 12.159 -6.767 1.00 0.00 N ATOM 67 CA LEU A 5 -6.041 12.168 -6.015 1.00 0.00 C ATOM 68 C LEU A 5 -6.312 12.356 -4.529 1.00 0.00 C ATOM 69 O LEU A 5 -7.083 13.205 -4.133 1.00 0.00 O ATOM 70 CB LEU A 5 -5.165 13.316 -6.520 1.00 0.00 C ATOM 71 CG LEU A 5 -4.948 13.173 -8.031 1.00 0.00 C ATOM 72 CD1 LEU A 5 -4.079 14.331 -8.532 1.00 0.00 C ATOM 73 CD2 LEU A 5 -4.251 11.837 -8.337 1.00 0.00 C ATOM 0 H LEU A 5 -7.675 13.080 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.528 11.219 -6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.639 14.272 -6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.206 13.309 -6.003 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.914 13.195 -8.536 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.924 14.231 -9.606 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.579 15.277 -8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.116 14.310 -8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.101 11.743 -9.412 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.286 11.806 -7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.872 11.014 -7.984 1.00 0.00 H new ATOM 85 N THR A 6 -5.675 11.563 -3.705 1.00 0.00 N ATOM 86 CA THR A 6 -5.881 11.675 -2.224 1.00 0.00 C ATOM 87 C THR A 6 -4.528 11.798 -1.528 1.00 0.00 C ATOM 88 O THR A 6 -3.521 11.332 -2.016 1.00 0.00 O ATOM 89 CB THR A 6 -6.616 10.436 -1.723 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.873 10.344 -2.379 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.831 10.546 -0.215 1.00 0.00 C ATOM 0 H THR A 6 -5.017 10.839 -3.993 1.00 0.00 H new ATOM 0 HA THR A 6 -6.476 12.561 -2.001 1.00 0.00 H new ATOM 0 HB THR A 6 -6.025 9.545 -1.937 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.350 9.548 -2.062 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.356 9.661 0.143 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.866 10.623 0.286 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.425 11.433 0.004 1.00 0.00 H new ATOM 99 N LYS A 7 -4.502 12.441 -0.392 1.00 0.00 N ATOM 100 CA LYS A 7 -3.217 12.626 0.345 1.00 0.00 C ATOM 101 C LYS A 7 -3.076 11.561 1.435 1.00 0.00 C ATOM 102 O LYS A 7 -4.044 11.109 2.016 1.00 0.00 O ATOM 103 CB LYS A 7 -3.219 14.009 0.999 1.00 0.00 C ATOM 104 CG LYS A 7 -3.257 15.087 -0.086 1.00 0.00 C ATOM 105 CD LYS A 7 -3.262 16.474 0.564 1.00 0.00 C ATOM 106 CE LYS A 7 -3.218 17.548 -0.526 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.437 17.448 -1.376 1.00 0.00 N ATOM 0 H LYS A 7 -5.320 12.849 0.060 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.385 12.535 -0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.082 14.110 1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.330 14.132 1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.393 14.986 -0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.145 14.962 -0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.156 16.598 1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.404 16.579 1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.158 18.538 -0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.325 17.423 -1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.555 18.328 -1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.338 16.648 -2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.270 17.299 -0.772 1.00 0.00 H new ATOM 121 N ILE A 8 -1.870 11.147 1.702 1.00 0.00 N ATOM 122 CA ILE A 8 -1.641 10.101 2.739 1.00 0.00 C ATOM 123 C ILE A 8 -2.247 10.560 4.067 1.00 0.00 C ATOM 124 O ILE A 8 -2.904 9.805 4.755 1.00 0.00 O ATOM 125 CB ILE A 8 -0.130 9.903 2.918 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.519 9.628 1.554 1.00 0.00 C ATOM 127 CG2 ILE A 8 0.132 8.724 3.856 1.00 0.00 C ATOM 128 CD1 ILE A 8 -0.165 8.436 0.869 1.00 0.00 C ATOM 0 H ILE A 8 -1.026 11.490 1.243 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.107 9.166 2.429 1.00 0.00 H new ATOM 0 HB ILE A 8 0.300 10.807 3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.442 10.513 0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.581 9.421 1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.207 8.589 3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.322 8.923 4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.302 7.818 3.432 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.305 8.253 -0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.065 7.550 1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.222 8.658 0.722 1.00 0.00 H new ATOM 140 N VAL A 9 -2.032 11.793 4.423 1.00 0.00 N ATOM 141 CA VAL A 9 -2.590 12.321 5.702 1.00 0.00 C ATOM 142 C VAL A 9 -4.118 12.389 5.607 1.00 0.00 C ATOM 143 O VAL A 9 -4.804 12.596 6.588 1.00 0.00 O ATOM 144 CB VAL A 9 -2.027 13.723 5.950 1.00 0.00 C ATOM 145 CG1 VAL A 9 -2.557 14.688 4.886 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.449 14.211 7.336 1.00 0.00 C ATOM 0 H VAL A 9 -1.490 12.465 3.880 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.313 11.662 6.525 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.939 13.686 5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.154 15.685 5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.249 14.345 3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.645 14.722 4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.046 15.209 7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.537 14.244 7.395 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.065 13.529 8.094 1.00 0.00 H new ATOM 156 N ASP A 10 -4.655 12.217 4.428 1.00 0.00 N ATOM 157 CA ASP A 10 -6.138 12.269 4.251 1.00 0.00 C ATOM 158 C ASP A 10 -6.700 10.845 4.267 1.00 0.00 C ATOM 159 O ASP A 10 -7.861 10.621 3.993 1.00 0.00 O ATOM 160 CB ASP A 10 -6.457 12.934 2.912 1.00 0.00 C ATOM 161 CG ASP A 10 -7.971 13.034 2.732 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.680 12.822 3.702 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.397 13.326 1.626 1.00 0.00 O ATOM 0 H ASP A 10 -4.127 12.041 3.573 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.589 12.843 5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.010 13.928 2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.022 12.357 2.096 1.00 0.00 H new ATOM 168 N ILE A 11 -5.877 9.880 4.589 1.00 0.00 N ATOM 169 CA ILE A 11 -6.351 8.466 4.630 1.00 0.00 C ATOM 170 C ILE A 11 -6.938 8.154 6.010 1.00 0.00 C ATOM 171 O ILE A 11 -6.264 8.244 7.016 1.00 0.00 O ATOM 172 CB ILE A 11 -5.170 7.527 4.347 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.695 7.721 2.902 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.601 6.072 4.554 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.406 6.925 2.672 1.00 0.00 C ATOM 0 H ILE A 11 -4.894 10.012 4.826 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.123 8.321 3.874 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.355 7.760 5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.467 7.390 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.521 8.779 2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.759 5.411 4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.932 5.933 5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.420 5.835 3.875 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.071 7.065 1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.634 7.277 3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.595 5.867 2.851 1.00 0.00 H new ATOM 187 N VAL A 12 -8.189 7.769 6.060 1.00 0.00 N ATOM 188 CA VAL A 12 -8.826 7.431 7.371 1.00 0.00 C ATOM 189 C VAL A 12 -9.820 6.287 7.174 1.00 0.00 C ATOM 190 O VAL A 12 -10.508 5.888 8.091 1.00 0.00 O ATOM 191 CB VAL A 12 -9.538 8.665 7.938 1.00 0.00 C ATOM 192 CG1 VAL A 12 -8.499 9.753 8.207 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.573 9.193 6.936 1.00 0.00 C ATOM 0 H VAL A 12 -8.798 7.674 5.248 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.059 7.117 8.079 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.050 8.391 8.861 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.993 10.636 8.611 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.766 9.387 8.926 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.995 10.013 7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.070 10.069 7.353 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.073 9.468 6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.313 8.418 6.735 1.00 0.00 H new ATOM 203 N GLU A 13 -9.892 5.746 5.981 1.00 0.00 N ATOM 204 CA GLU A 13 -10.831 4.612 5.714 1.00 0.00 C ATOM 205 C GLU A 13 -10.099 3.533 4.915 1.00 0.00 C ATOM 206 O GLU A 13 -9.446 3.807 3.927 1.00 0.00 O ATOM 207 CB GLU A 13 -12.035 5.123 4.920 1.00 0.00 C ATOM 208 CG GLU A 13 -13.071 4.003 4.795 1.00 0.00 C ATOM 209 CD GLU A 13 -13.704 3.743 6.165 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.451 4.521 7.071 1.00 0.00 O ATOM 211 OE2 GLU A 13 -14.435 2.775 6.282 1.00 0.00 O ATOM 0 H GLU A 13 -9.338 6.043 5.178 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.180 4.190 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.475 5.986 5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.719 5.454 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.839 4.282 4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.598 3.095 4.422 1.00 0.00 H new ATOM 218 N ASN A 14 -10.207 2.300 5.343 1.00 0.00 N ATOM 219 CA ASN A 14 -9.521 1.181 4.625 1.00 0.00 C ATOM 220 C ASN A 14 -10.490 0.497 3.654 1.00 0.00 C ATOM 221 O ASN A 14 -11.696 0.603 3.777 1.00 0.00 O ATOM 222 CB ASN A 14 -9.008 0.155 5.640 1.00 0.00 C ATOM 223 CG ASN A 14 -10.188 -0.515 6.354 1.00 0.00 C ATOM 224 OD1 ASN A 14 -11.321 -0.109 6.194 1.00 0.00 O ATOM 225 ND2 ASN A 14 -9.963 -1.534 7.140 1.00 0.00 N ATOM 0 H ASN A 14 -10.744 2.019 6.163 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.683 1.589 4.060 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.404 -0.598 5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.362 0.645 6.369 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -10.740 -1.989 7.620 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.011 -1.874 7.274 1.00 0.00 H new ATOM 232 N GLY A 15 -9.958 -0.208 2.693 1.00 0.00 N ATOM 233 CA GLY A 15 -10.817 -0.914 1.703 1.00 0.00 C ATOM 234 C GLY A 15 -11.389 0.101 0.720 1.00 0.00 C ATOM 235 O GLY A 15 -12.364 -0.160 0.046 1.00 0.00 O ATOM 0 H GLY A 15 -8.955 -0.325 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.235 -1.666 1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.625 -1.439 2.213 1.00 0.00 H new ATOM 239 N GLN A 16 -10.788 1.260 0.633 1.00 0.00 N ATOM 240 CA GLN A 16 -11.293 2.311 -0.305 1.00 0.00 C ATOM 241 C GLN A 16 -10.404 2.371 -1.546 1.00 0.00 C ATOM 242 O GLN A 16 -9.251 1.982 -1.522 1.00 0.00 O ATOM 243 CB GLN A 16 -11.284 3.665 0.402 1.00 0.00 C ATOM 244 CG GLN A 16 -9.884 3.948 0.947 1.00 0.00 C ATOM 245 CD GLN A 16 -9.867 5.313 1.642 1.00 0.00 C ATOM 246 OE1 GLN A 16 -10.891 5.954 1.773 1.00 0.00 O ATOM 247 NE2 GLN A 16 -8.738 5.783 2.099 1.00 0.00 N ATOM 0 H GLN A 16 -9.965 1.526 1.174 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.310 2.065 -0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.581 4.451 -0.292 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.009 3.667 1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.592 3.168 1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.157 3.934 0.135 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.879 5.244 1.988 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.715 6.689 2.567 1.00 0.00 H new ATOM 256 N TRP A 17 -10.940 2.860 -2.635 1.00 0.00 N ATOM 257 CA TRP A 17 -10.151 2.960 -3.901 1.00 0.00 C ATOM 258 C TRP A 17 -9.706 4.409 -4.116 1.00 0.00 C ATOM 259 O TRP A 17 -10.489 5.335 -4.016 1.00 0.00 O ATOM 260 CB TRP A 17 -11.030 2.520 -5.072 1.00 0.00 C ATOM 261 CG TRP A 17 -11.321 1.058 -4.949 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.457 0.530 -4.438 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.486 -0.070 -5.338 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.371 -0.850 -4.486 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.173 -1.268 -5.034 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.209 -0.167 -5.918 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.614 -2.518 -5.297 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.642 -1.422 -6.185 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.343 -2.596 -5.875 1.00 0.00 C ATOM 0 H TRP A 17 -11.900 3.198 -2.702 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.272 2.319 -3.836 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -11.960 3.088 -5.077 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.526 2.724 -6.017 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.295 1.094 -4.055 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.102 -1.481 -4.157 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.660 0.731 -6.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.158 -3.419 -5.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.661 -1.484 -6.632 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.902 -3.560 -6.082 1.00 0.00 H new ATOM 280 N ALA A 18 -8.452 4.609 -4.419 1.00 0.00 N ATOM 281 CA ALA A 18 -7.951 5.995 -4.652 1.00 0.00 C ATOM 282 C ALA A 18 -6.670 5.951 -5.480 1.00 0.00 C ATOM 283 O ALA A 18 -6.157 4.893 -5.795 1.00 0.00 O ATOM 284 CB ALA A 18 -7.661 6.669 -3.310 1.00 0.00 C ATOM 0 H ALA A 18 -7.752 3.873 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.711 6.562 -5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.295 7.681 -3.483 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.575 6.710 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.905 6.097 -2.771 1.00 0.00 H new ATOM 290 N ASN A 19 -6.144 7.101 -5.827 1.00 0.00 N ATOM 291 CA ASN A 19 -4.883 7.145 -6.630 1.00 0.00 C ATOM 292 C ASN A 19 -3.974 8.253 -6.099 1.00 0.00 C ATOM 293 O ASN A 19 -4.428 9.301 -5.694 1.00 0.00 O ATOM 294 CB ASN A 19 -5.228 7.430 -8.088 1.00 0.00 C ATOM 295 CG ASN A 19 -6.247 6.399 -8.580 1.00 0.00 C ATOM 296 OD1 ASN A 19 -6.199 5.248 -8.197 1.00 0.00 O ATOM 297 ND2 ASN A 19 -7.171 6.767 -9.425 1.00 0.00 N ATOM 0 H ASN A 19 -6.535 8.012 -5.588 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.368 6.187 -6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.635 8.436 -8.187 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.328 7.389 -8.701 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.852 6.088 -9.763 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.212 7.734 -9.747 1.00 0.00 H new ATOM 304 N LEU A 20 -2.689 8.029 -6.091 1.00 0.00 N ATOM 305 CA LEU A 20 -1.760 9.078 -5.589 1.00 0.00 C ATOM 306 C LEU A 20 -0.347 8.843 -6.129 1.00 0.00 C ATOM 307 O LEU A 20 0.091 7.722 -6.302 1.00 0.00 O ATOM 308 CB LEU A 20 -1.724 9.046 -4.057 1.00 0.00 C ATOM 309 CG LEU A 20 -0.778 10.142 -3.535 1.00 0.00 C ATOM 310 CD1 LEU A 20 -1.290 11.528 -3.973 1.00 0.00 C ATOM 311 CD2 LEU A 20 -0.707 10.071 -2.007 1.00 0.00 C ATOM 0 H LEU A 20 -2.244 7.168 -6.409 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.116 10.050 -5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.727 9.198 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.388 8.068 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 20 0.218 9.986 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.616 12.299 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.328 11.574 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.288 11.692 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.037 10.847 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.702 10.222 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.331 9.093 -1.705 1.00 0.00 H new ATOM 323 N LYS A 21 0.381 9.907 -6.360 1.00 0.00 N ATOM 324 CA LYS A 21 1.784 9.779 -6.856 1.00 0.00 C ATOM 325 C LYS A 21 2.738 9.807 -5.656 1.00 0.00 C ATOM 326 O LYS A 21 2.572 10.587 -4.739 1.00 0.00 O ATOM 327 CB LYS A 21 2.104 10.950 -7.792 1.00 0.00 C ATOM 328 CG LYS A 21 3.283 10.573 -8.697 1.00 0.00 C ATOM 329 CD LYS A 21 3.759 11.814 -9.459 1.00 0.00 C ATOM 330 CE LYS A 21 2.598 12.407 -10.277 1.00 0.00 C ATOM 331 NZ LYS A 21 1.897 13.432 -9.454 1.00 0.00 N ATOM 0 H LYS A 21 0.060 10.866 -6.225 1.00 0.00 H new ATOM 0 HA LYS A 21 1.901 8.842 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.231 11.195 -8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.348 11.839 -7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.098 10.165 -8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.982 9.795 -9.399 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.138 12.558 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.584 11.550 -10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.976 12.856 -11.196 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.903 11.620 -10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.911 13.138 -9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.377 13.529 -8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.912 14.346 -9.951 1.00 0.00 H new ATOM 345 N ALA A 22 3.732 8.960 -5.652 1.00 0.00 N ATOM 346 CA ALA A 22 4.686 8.936 -4.501 1.00 0.00 C ATOM 347 C ALA A 22 6.084 8.524 -4.967 1.00 0.00 C ATOM 348 O ALA A 22 6.264 7.903 -5.993 1.00 0.00 O ATOM 349 CB ALA A 22 4.193 7.935 -3.454 1.00 0.00 C ATOM 0 H ALA A 22 3.926 8.285 -6.392 1.00 0.00 H new ATOM 0 HA ALA A 22 4.737 9.936 -4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.887 7.916 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.205 8.233 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.135 6.942 -3.899 1.00 0.00 H new ATOM 355 N LYS A 23 7.075 8.877 -4.192 1.00 0.00 N ATOM 356 CA LYS A 23 8.486 8.526 -4.544 1.00 0.00 C ATOM 357 C LYS A 23 8.905 7.268 -3.784 1.00 0.00 C ATOM 358 O LYS A 23 8.391 6.970 -2.727 1.00 0.00 O ATOM 359 CB LYS A 23 9.399 9.695 -4.170 1.00 0.00 C ATOM 360 CG LYS A 23 10.849 9.367 -4.542 1.00 0.00 C ATOM 361 CD LYS A 23 11.738 10.565 -4.201 1.00 0.00 C ATOM 362 CE LYS A 23 13.190 10.247 -4.561 1.00 0.00 C ATOM 363 NZ LYS A 23 14.053 11.418 -4.234 1.00 0.00 N ATOM 0 H LYS A 23 6.968 9.398 -3.322 1.00 0.00 H new ATOM 0 HA LYS A 23 8.565 8.334 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.077 10.599 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.326 9.897 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.185 8.483 -4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.921 9.136 -5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.402 11.447 -4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.659 10.798 -3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.528 9.368 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.269 10.009 -5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.040 11.201 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.735 12.246 -4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.986 11.625 -3.217 1.00 0.00 H new ATOM 377 N VAL A 24 9.828 6.514 -4.326 1.00 0.00 N ATOM 378 CA VAL A 24 10.276 5.261 -3.649 1.00 0.00 C ATOM 379 C VAL A 24 11.499 5.538 -2.772 1.00 0.00 C ATOM 380 O VAL A 24 12.611 5.653 -3.252 1.00 0.00 O ATOM 381 CB VAL A 24 10.635 4.233 -4.719 1.00 0.00 C ATOM 382 CG1 VAL A 24 11.074 2.932 -4.053 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.409 3.968 -5.595 1.00 0.00 C ATOM 0 H VAL A 24 10.292 6.714 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 24 9.475 4.882 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 24 11.450 4.616 -5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.330 2.200 -4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.945 3.120 -3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.261 2.546 -3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.661 3.234 -6.361 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.597 3.584 -4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.095 4.897 -6.072 1.00 0.00 H new ATOM 393 N ILE A 25 11.293 5.655 -1.488 1.00 0.00 N ATOM 394 CA ILE A 25 12.427 5.923 -0.562 1.00 0.00 C ATOM 395 C ILE A 25 13.252 4.649 -0.372 1.00 0.00 C ATOM 396 O ILE A 25 14.430 4.703 -0.080 1.00 0.00 O ATOM 397 CB ILE A 25 11.880 6.379 0.796 1.00 0.00 C ATOM 398 CG1 ILE A 25 10.941 7.581 0.602 1.00 0.00 C ATOM 399 CG2 ILE A 25 13.038 6.782 1.707 1.00 0.00 C ATOM 400 CD1 ILE A 25 11.672 8.709 -0.145 1.00 0.00 C ATOM 0 H ILE A 25 10.381 5.576 -1.039 1.00 0.00 H new ATOM 0 HA ILE A 25 13.059 6.704 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 25 11.327 5.558 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.058 7.275 0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.594 7.941 1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.647 7.106 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.701 5.929 1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.594 7.600 1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.997 9.555 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.541 9.024 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.997 8.348 -1.121 1.00 0.00 H new ATOM 412 N GLN A 26 12.647 3.504 -0.537 1.00 0.00 N ATOM 413 CA GLN A 26 13.406 2.234 -0.368 1.00 0.00 C ATOM 414 C GLN A 26 12.568 1.063 -0.882 1.00 0.00 C ATOM 415 O GLN A 26 11.359 1.156 -1.004 1.00 0.00 O ATOM 416 CB GLN A 26 13.730 2.023 1.117 1.00 0.00 C ATOM 417 CG GLN A 26 14.560 0.745 1.294 1.00 0.00 C ATOM 418 CD GLN A 26 15.069 0.661 2.735 1.00 0.00 C ATOM 419 OE1 GLN A 26 15.090 1.648 3.441 1.00 0.00 O ATOM 420 NE2 GLN A 26 15.482 -0.486 3.205 1.00 0.00 N ATOM 0 H GLN A 26 11.663 3.394 -0.781 1.00 0.00 H new ATOM 0 HA GLN A 26 14.335 2.289 -0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.280 2.881 1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.807 1.950 1.693 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.954 -0.130 1.060 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.400 0.746 0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.465 -1.316 2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.822 -0.551 4.165 1.00 0.00 H new ATOM 429 N LEU A 27 13.205 -0.043 -1.176 1.00 0.00 N ATOM 430 CA LEU A 27 12.470 -1.243 -1.682 1.00 0.00 C ATOM 431 C LEU A 27 12.960 -2.498 -0.971 1.00 0.00 C ATOM 432 O LEU A 27 14.036 -2.528 -0.409 1.00 0.00 O ATOM 433 CB LEU A 27 12.710 -1.393 -3.180 1.00 0.00 C ATOM 434 CG LEU A 27 12.035 -0.235 -3.925 1.00 0.00 C ATOM 435 CD1 LEU A 27 12.445 -0.272 -5.405 1.00 0.00 C ATOM 436 CD2 LEU A 27 10.499 -0.348 -3.802 1.00 0.00 C ATOM 0 H LEU A 27 14.213 -0.167 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 27 11.406 -1.112 -1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.780 -1.399 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.312 -2.346 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 27 12.353 0.710 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.966 0.551 -5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.528 -0.174 -5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.133 -1.219 -5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.030 0.479 -4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.168 -1.292 -4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.214 -0.311 -2.750 1.00 0.00 H new ATOM 448 N TRP A 28 12.170 -3.541 -0.997 1.00 0.00 N ATOM 449 CA TRP A 28 12.577 -4.812 -0.333 1.00 0.00 C ATOM 450 C TRP A 28 12.096 -6.003 -1.170 1.00 0.00 C ATOM 451 O TRP A 28 10.912 -6.240 -1.320 1.00 0.00 O ATOM 452 CB TRP A 28 11.958 -4.879 1.059 1.00 0.00 C ATOM 453 CG TRP A 28 12.572 -6.005 1.820 1.00 0.00 C ATOM 454 CD1 TRP A 28 11.936 -7.149 2.158 1.00 0.00 C ATOM 455 CD2 TRP A 28 13.929 -6.120 2.336 1.00 0.00 C ATOM 456 NE1 TRP A 28 12.815 -7.959 2.852 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.057 -7.369 2.988 1.00 0.00 C ATOM 458 CE3 TRP A 28 15.051 -5.272 2.304 1.00 0.00 C ATOM 459 CZ2 TRP A 28 15.253 -7.763 3.586 1.00 0.00 C ATOM 460 CZ3 TRP A 28 16.257 -5.665 2.905 1.00 0.00 C ATOM 461 CH2 TRP A 28 16.358 -6.908 3.545 1.00 0.00 C ATOM 0 H TRP A 28 11.257 -3.565 -1.452 1.00 0.00 H new ATOM 0 HA TRP A 28 13.663 -4.847 -0.247 1.00 0.00 H new ATOM 0 HB2 TRP A 28 12.119 -3.939 1.586 1.00 0.00 H new ATOM 0 HB3 TRP A 28 10.880 -5.022 0.983 1.00 0.00 H new ATOM 0 HD1 TRP A 28 10.910 -7.390 1.924 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.576 -8.880 3.219 1.00 0.00 H new ATOM 0 HE3 TRP A 28 14.984 -4.312 1.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 15.325 -8.722 4.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 17.112 -5.006 2.874 1.00 0.00 H new ATOM 0 HH2 TRP A 28 17.289 -7.205 4.006 1.00 0.00 H new ATOM 472 N GLU A 29 13.015 -6.744 -1.719 1.00 0.00 N ATOM 473 CA GLU A 29 12.636 -7.920 -2.557 1.00 0.00 C ATOM 474 C GLU A 29 12.045 -9.010 -1.663 1.00 0.00 C ATOM 475 O GLU A 29 12.620 -9.374 -0.657 1.00 0.00 O ATOM 476 CB GLU A 29 13.882 -8.459 -3.268 1.00 0.00 C ATOM 477 CG GLU A 29 13.491 -9.592 -4.225 1.00 0.00 C ATOM 478 CD GLU A 29 12.703 -9.022 -5.407 1.00 0.00 C ATOM 479 OE1 GLU A 29 12.640 -7.808 -5.522 1.00 0.00 O ATOM 480 OE2 GLU A 29 12.182 -9.808 -6.180 1.00 0.00 O ATOM 0 H GLU A 29 14.018 -6.587 -1.625 1.00 0.00 H new ATOM 0 HA GLU A 29 11.896 -7.619 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.371 -7.657 -3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.601 -8.824 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.385 -10.102 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.890 -10.334 -3.699 1.00 0.00 H new ATOM 558 N ILE A 35 4.088 -12.942 -1.677 1.00 0.00 N ATOM 559 CA ILE A 35 4.338 -11.477 -1.824 1.00 0.00 C ATOM 560 C ILE A 35 5.431 -11.250 -2.864 1.00 0.00 C ATOM 561 O ILE A 35 6.436 -11.936 -2.896 1.00 0.00 O ATOM 562 CB ILE A 35 4.780 -10.895 -0.483 1.00 0.00 C ATOM 563 CG1 ILE A 35 3.637 -11.027 0.526 1.00 0.00 C ATOM 564 CG2 ILE A 35 5.128 -9.418 -0.671 1.00 0.00 C ATOM 565 CD1 ILE A 35 4.157 -10.714 1.930 1.00 0.00 C ATOM 0 HA ILE A 35 3.421 -10.984 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 35 5.653 -11.433 -0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.828 -10.345 0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.226 -12.036 0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.445 -8.995 0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.936 -9.324 -1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.251 -8.881 -1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.343 -10.808 2.649 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.952 -11.414 2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.547 -9.697 1.955 1.00 0.00 H new ATOM 577 N SER A 36 5.231 -10.292 -3.725 1.00 0.00 N ATOM 578 CA SER A 36 6.239 -10.004 -4.784 1.00 0.00 C ATOM 579 C SER A 36 7.271 -9.005 -4.258 1.00 0.00 C ATOM 580 O SER A 36 8.463 -9.260 -4.265 1.00 0.00 O ATOM 581 CB SER A 36 5.530 -9.385 -5.988 1.00 0.00 C ATOM 582 OG SER A 36 5.365 -7.992 -5.764 1.00 0.00 O ATOM 0 H SER A 36 4.407 -9.692 -3.741 1.00 0.00 H new ATOM 0 HA SER A 36 6.738 -10.930 -5.070 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.111 -9.554 -6.895 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.560 -9.859 -6.138 1.00 0.00 H new ATOM 0 HG SER A 36 4.801 -7.852 -4.975 1.00 0.00 H new ATOM 588 N GLN A 37 6.827 -7.860 -3.808 1.00 0.00 N ATOM 589 CA GLN A 37 7.790 -6.844 -3.299 1.00 0.00 C ATOM 590 C GLN A 37 7.107 -5.919 -2.291 1.00 0.00 C ATOM 591 O GLN A 37 5.907 -5.723 -2.316 1.00 0.00 O ATOM 592 CB GLN A 37 8.307 -6.017 -4.478 1.00 0.00 C ATOM 593 CG GLN A 37 9.357 -5.023 -3.982 1.00 0.00 C ATOM 594 CD GLN A 37 9.988 -4.304 -5.176 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.300 -3.659 -5.942 1.00 0.00 O ATOM 596 NE2 GLN A 37 11.276 -4.384 -5.363 1.00 0.00 N ATOM 0 H GLN A 37 5.845 -7.587 -3.772 1.00 0.00 H new ATOM 0 HA GLN A 37 8.617 -7.351 -2.803 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.740 -6.673 -5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.482 -5.485 -4.952 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.897 -4.298 -3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.125 -5.545 -3.411 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.852 -4.926 -4.719 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.707 -3.905 -6.153 1.00 0.00 H new ATOM 605 N VAL A 38 7.879 -5.335 -1.417 1.00 0.00 N ATOM 606 CA VAL A 38 7.311 -4.399 -0.402 1.00 0.00 C ATOM 607 C VAL A 38 8.339 -3.311 -0.098 1.00 0.00 C ATOM 608 O VAL A 38 9.531 -3.532 -0.174 1.00 0.00 O ATOM 609 CB VAL A 38 6.982 -5.169 0.879 1.00 0.00 C ATOM 610 CG1 VAL A 38 8.271 -5.725 1.483 1.00 0.00 C ATOM 611 CG2 VAL A 38 6.310 -4.233 1.888 1.00 0.00 C ATOM 0 H VAL A 38 8.889 -5.467 -1.361 1.00 0.00 H new ATOM 0 HA VAL A 38 6.399 -3.945 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 38 6.305 -5.989 0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.038 -6.274 2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.748 -6.395 0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.947 -4.903 1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.078 -4.786 2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.984 -3.410 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.390 -3.836 1.459 1.00 0.00 H new ATOM 621 N GLY A 39 7.896 -2.136 0.243 1.00 0.00 N ATOM 622 CA GLY A 39 8.863 -1.048 0.546 1.00 0.00 C ATOM 623 C GLY A 39 8.134 0.150 1.150 1.00 0.00 C ATOM 624 O GLY A 39 7.042 0.026 1.683 1.00 0.00 O ATOM 0 H GLY A 39 6.911 -1.882 0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.622 -1.409 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.381 -0.747 -0.365 1.00 0.00 H new ATOM 628 N LEU A 40 8.744 1.309 1.072 1.00 0.00 N ATOM 629 CA LEU A 40 8.123 2.543 1.653 1.00 0.00 C ATOM 630 C LEU A 40 7.944 3.587 0.559 1.00 0.00 C ATOM 631 O LEU A 40 8.712 3.652 -0.377 1.00 0.00 O ATOM 632 CB LEU A 40 9.060 3.107 2.724 1.00 0.00 C ATOM 633 CG LEU A 40 9.431 2.001 3.720 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.430 2.544 4.742 1.00 0.00 C ATOM 635 CD2 LEU A 40 8.171 1.512 4.443 1.00 0.00 C ATOM 0 H LEU A 40 9.651 1.454 0.628 1.00 0.00 H new ATOM 0 HA LEU A 40 7.154 2.297 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.961 3.508 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.576 3.933 3.246 1.00 0.00 H new ATOM 0 HG LEU A 40 9.882 1.168 3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.692 1.756 5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.329 2.884 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.982 3.380 5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.439 0.726 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.714 2.343 4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.463 1.118 3.714 1.00 0.00 H new ATOM 647 N LEU A 41 6.930 4.409 0.678 1.00 0.00 N ATOM 648 CA LEU A 41 6.681 5.471 -0.349 1.00 0.00 C ATOM 649 C LEU A 41 6.852 6.845 0.291 1.00 0.00 C ATOM 650 O LEU A 41 6.273 7.145 1.315 1.00 0.00 O ATOM 651 CB LEU A 41 5.262 5.325 -0.890 1.00 0.00 C ATOM 652 CG LEU A 41 5.065 3.908 -1.431 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.637 3.760 -1.965 1.00 0.00 C ATOM 654 CD2 LEU A 41 6.071 3.633 -2.561 1.00 0.00 C ATOM 0 H LEU A 41 6.260 4.390 1.447 1.00 0.00 H new ATOM 0 HA LEU A 41 7.392 5.366 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.538 5.528 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.086 6.055 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 41 5.229 3.191 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.496 2.750 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.926 3.943 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.471 4.481 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.924 2.622 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.917 4.350 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.086 3.732 -2.177 1.00 0.00 H new ATOM 666 N GLY A 42 7.657 7.678 -0.312 1.00 0.00 N ATOM 667 CA GLY A 42 7.896 9.043 0.239 1.00 0.00 C ATOM 668 C GLY A 42 6.962 10.055 -0.424 1.00 0.00 C ATOM 669 O GLY A 42 7.243 10.568 -1.489 1.00 0.00 O ATOM 0 H GLY A 42 8.164 7.469 -1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.734 9.041 1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.934 9.333 0.073 1.00 0.00 H new ATOM 673 N ASP A 43 5.860 10.362 0.206 1.00 0.00 N ATOM 674 CA ASP A 43 4.912 11.355 -0.376 1.00 0.00 C ATOM 675 C ASP A 43 5.216 12.745 0.190 1.00 0.00 C ATOM 676 O ASP A 43 5.794 12.890 1.251 1.00 0.00 O ATOM 677 CB ASP A 43 3.478 10.962 -0.021 1.00 0.00 C ATOM 678 CG ASP A 43 2.506 11.811 -0.842 1.00 0.00 C ATOM 679 OD1 ASP A 43 2.608 11.780 -2.058 1.00 0.00 O ATOM 680 OD2 ASP A 43 1.681 12.479 -0.243 1.00 0.00 O ATOM 0 H ASP A 43 5.575 9.966 1.102 1.00 0.00 H new ATOM 0 HA ASP A 43 5.025 11.372 -1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.317 9.903 -0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.300 11.112 1.044 1.00 0.00 H new ATOM 685 N GLU A 44 4.822 13.764 -0.519 1.00 0.00 N ATOM 686 CA GLU A 44 5.068 15.160 -0.057 1.00 0.00 C ATOM 687 C GLU A 44 4.215 15.454 1.179 1.00 0.00 C ATOM 688 O GLU A 44 4.475 16.384 1.913 1.00 0.00 O ATOM 689 CB GLU A 44 4.685 16.123 -1.183 1.00 0.00 C ATOM 690 CG GLU A 44 5.019 17.559 -0.777 1.00 0.00 C ATOM 691 CD GLU A 44 4.693 18.507 -1.932 1.00 0.00 C ATOM 692 OE1 GLU A 44 4.511 18.026 -3.037 1.00 0.00 O ATOM 693 OE2 GLU A 44 4.629 19.702 -1.689 1.00 0.00 O ATOM 0 H GLU A 44 4.333 13.689 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 44 6.120 15.284 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.220 15.860 -2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.621 16.036 -1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.449 17.839 0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.074 17.638 -0.515 1.00 0.00 H new ATOM 700 N THR A 45 3.197 14.668 1.411 1.00 0.00 N ATOM 701 CA THR A 45 2.319 14.899 2.601 1.00 0.00 C ATOM 702 C THR A 45 2.736 13.949 3.724 1.00 0.00 C ATOM 703 O THR A 45 2.322 14.095 4.856 1.00 0.00 O ATOM 704 CB THR A 45 0.862 14.640 2.209 1.00 0.00 C ATOM 705 OG1 THR A 45 0.681 13.259 1.931 1.00 0.00 O ATOM 706 CG2 THR A 45 0.513 15.461 0.963 1.00 0.00 C ATOM 0 H THR A 45 2.933 13.874 0.828 1.00 0.00 H new ATOM 0 HA THR A 45 2.420 15.928 2.946 1.00 0.00 H new ATOM 0 HB THR A 45 0.210 14.932 3.032 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.892 13.084 0.990 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.524 15.276 0.684 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.648 16.521 1.176 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.167 15.170 0.141 1.00 0.00 H new ATOM 714 N GLY A 46 3.566 12.982 3.424 1.00 0.00 N ATOM 715 CA GLY A 46 4.012 12.037 4.486 1.00 0.00 C ATOM 716 C GLY A 46 4.576 10.766 3.854 1.00 0.00 C ATOM 717 O GLY A 46 5.057 10.778 2.741 1.00 0.00 O ATOM 0 H GLY A 46 3.951 12.809 2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.771 12.510 5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.174 11.788 5.137 1.00 0.00 H new ATOM 721 N ILE A 47 4.525 9.668 4.569 1.00 0.00 N ATOM 722 CA ILE A 47 5.060 8.375 4.031 1.00 0.00 C ATOM 723 C ILE A 47 4.030 7.267 4.227 1.00 0.00 C ATOM 724 O ILE A 47 3.135 7.371 5.044 1.00 0.00 O ATOM 725 CB ILE A 47 6.353 8.014 4.769 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.078 7.828 6.267 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.375 9.138 4.581 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.368 7.410 6.973 1.00 0.00 C ATOM 0 H ILE A 47 4.133 9.611 5.509 1.00 0.00 H new ATOM 0 HA ILE A 47 5.267 8.484 2.966 1.00 0.00 H new ATOM 0 HB ILE A 47 6.744 7.082 4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.700 8.756 6.696 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.308 7.071 6.415 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.296 8.884 5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.585 9.265 3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.972 10.067 4.985 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.174 7.278 8.037 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.727 6.472 6.550 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.125 8.182 6.836 1.00 0.00 H new ATOM 740 N ILE A 48 4.157 6.201 3.487 1.00 0.00 N ATOM 741 CA ILE A 48 3.196 5.075 3.628 1.00 0.00 C ATOM 742 C ILE A 48 3.804 3.795 3.049 1.00 0.00 C ATOM 743 O ILE A 48 4.562 3.824 2.098 1.00 0.00 O ATOM 744 CB ILE A 48 1.900 5.411 2.894 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.914 4.255 3.059 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.186 5.635 1.408 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.466 4.688 2.565 1.00 0.00 C ATOM 0 H ILE A 48 4.888 6.062 2.789 1.00 0.00 H new ATOM 0 HA ILE A 48 2.980 4.919 4.685 1.00 0.00 H new ATOM 0 HB ILE A 48 1.472 6.321 3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.258 3.387 2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.860 3.956 4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.257 5.874 0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.888 6.461 1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.617 4.730 0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.170 3.864 2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.809 5.544 3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.405 4.966 1.513 1.00 0.00 H new ATOM 759 N LYS A 49 3.473 2.673 3.621 1.00 0.00 N ATOM 760 CA LYS A 49 4.023 1.373 3.131 1.00 0.00 C ATOM 761 C LYS A 49 3.221 0.892 1.924 1.00 0.00 C ATOM 762 O LYS A 49 2.113 1.349 1.686 1.00 0.00 O ATOM 763 CB LYS A 49 3.917 0.335 4.247 1.00 0.00 C ATOM 764 CG LYS A 49 4.721 0.810 5.455 1.00 0.00 C ATOM 765 CD LYS A 49 4.593 -0.206 6.590 1.00 0.00 C ATOM 766 CE LYS A 49 5.301 0.329 7.836 1.00 0.00 C ATOM 767 NZ LYS A 49 6.753 0.498 7.550 1.00 0.00 N ATOM 0 H LYS A 49 2.838 2.597 4.416 1.00 0.00 H new ATOM 0 HA LYS A 49 5.065 1.508 2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.873 0.188 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.293 -0.628 3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.769 0.934 5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.360 1.785 5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.542 -0.393 6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.031 -1.158 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.865 1.283 8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.162 -0.359 8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.276 0.579 8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.101 -0.326 7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.898 1.359 6.985 1.00 0.00 H new ATOM 781 N PHE A 50 3.739 -0.059 1.179 1.00 0.00 N ATOM 782 CA PHE A 50 2.974 -0.586 0.019 1.00 0.00 C ATOM 783 C PHE A 50 3.476 -1.996 -0.310 1.00 0.00 C ATOM 784 O PHE A 50 4.630 -2.319 -0.092 1.00 0.00 O ATOM 785 CB PHE A 50 3.168 0.338 -1.187 1.00 0.00 C ATOM 786 CG PHE A 50 4.509 0.087 -1.850 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.693 0.510 -1.237 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.559 -0.565 -3.088 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.923 0.282 -1.863 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.788 -0.792 -3.713 1.00 0.00 C ATOM 791 CZ PHE A 50 6.971 -0.365 -3.103 1.00 0.00 C ATOM 0 H PHE A 50 4.653 -0.486 1.329 1.00 0.00 H new ATOM 0 HA PHE A 50 1.912 -0.627 0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.366 0.176 -1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.105 1.378 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.658 1.012 -0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.645 -0.893 -3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.837 0.606 -1.388 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.824 -1.297 -4.667 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.921 -0.534 -3.588 1.00 0.00 H new ATOM 801 N THR A 51 2.617 -2.833 -0.833 1.00 0.00 N ATOM 802 CA THR A 51 3.032 -4.230 -1.180 1.00 0.00 C ATOM 803 C THR A 51 2.456 -4.625 -2.540 1.00 0.00 C ATOM 804 O THR A 51 1.302 -4.392 -2.836 1.00 0.00 O ATOM 805 CB THR A 51 2.506 -5.185 -0.109 1.00 0.00 C ATOM 806 OG1 THR A 51 2.711 -6.525 -0.529 1.00 0.00 O ATOM 807 CG2 THR A 51 1.011 -4.941 0.111 1.00 0.00 C ATOM 0 H THR A 51 1.643 -2.610 -1.036 1.00 0.00 H new ATOM 0 HA THR A 51 4.120 -4.284 -1.227 1.00 0.00 H new ATOM 0 HB THR A 51 3.040 -5.010 0.825 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.376 -7.138 0.158 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.640 -5.624 0.875 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.854 -3.912 0.436 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.473 -5.113 -0.821 1.00 0.00 H new ATOM 815 N ILE A 52 3.267 -5.226 -3.368 1.00 0.00 N ATOM 816 CA ILE A 52 2.798 -5.654 -4.725 1.00 0.00 C ATOM 817 C ILE A 52 2.610 -7.171 -4.746 1.00 0.00 C ATOM 818 O ILE A 52 3.482 -7.921 -4.348 1.00 0.00 O ATOM 819 CB ILE A 52 3.835 -5.251 -5.769 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.027 -3.733 -5.727 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.338 -5.665 -7.155 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.255 -3.347 -6.552 1.00 0.00 C ATOM 0 H ILE A 52 4.243 -5.442 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 52 1.848 -5.171 -4.952 1.00 0.00 H new ATOM 0 HB ILE A 52 4.784 -5.744 -5.559 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.141 -3.234 -6.120 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.150 -3.400 -4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.075 -5.380 -7.906 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.192 -6.745 -7.182 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.392 -5.166 -7.367 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.389 -2.266 -6.520 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.138 -3.835 -6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.114 -3.665 -7.585 1.00 0.00 H new ATOM 834 N TRP A 53 1.469 -7.627 -5.191 1.00 0.00 N ATOM 835 CA TRP A 53 1.203 -9.092 -5.229 1.00 0.00 C ATOM 836 C TRP A 53 1.782 -9.709 -6.504 1.00 0.00 C ATOM 837 O TRP A 53 1.700 -9.145 -7.578 1.00 0.00 O ATOM 838 CB TRP A 53 -0.312 -9.317 -5.200 1.00 0.00 C ATOM 839 CG TRP A 53 -0.834 -8.972 -3.844 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.470 -7.824 -3.521 1.00 0.00 C ATOM 841 CD2 TRP A 53 -0.772 -9.763 -2.624 1.00 0.00 C ATOM 842 NE1 TRP A 53 -1.799 -7.858 -2.178 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.392 -9.035 -1.582 1.00 0.00 C ATOM 844 CE3 TRP A 53 -0.243 -11.031 -2.325 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.481 -9.545 -0.287 1.00 0.00 C ATOM 846 CZ3 TRP A 53 -0.332 -11.549 -1.023 1.00 0.00 C ATOM 847 CH2 TRP A 53 -0.951 -10.807 -0.006 1.00 0.00 C ATOM 0 H TRP A 53 0.706 -7.042 -5.532 1.00 0.00 H new ATOM 0 HA TRP A 53 1.675 -9.565 -4.368 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.798 -8.701 -5.957 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.542 -10.356 -5.438 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.686 -7.013 -4.200 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.283 -7.106 -1.688 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.235 -11.610 -3.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.956 -8.969 0.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.078 -12.524 -0.803 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.018 -11.211 0.993 1.00 0.00 H new ATOM 858 N LYS A 54 2.360 -10.872 -6.384 1.00 0.00 N ATOM 859 CA LYS A 54 2.949 -11.558 -7.570 1.00 0.00 C ATOM 860 C LYS A 54 1.851 -11.822 -8.601 1.00 0.00 C ATOM 861 O LYS A 54 2.067 -11.733 -9.793 1.00 0.00 O ATOM 862 CB LYS A 54 3.548 -12.894 -7.120 1.00 0.00 C ATOM 863 CG LYS A 54 4.271 -13.562 -8.292 1.00 0.00 C ATOM 864 CD LYS A 54 4.937 -14.854 -7.809 1.00 0.00 C ATOM 865 CE LYS A 54 5.690 -15.507 -8.971 1.00 0.00 C ATOM 866 NZ LYS A 54 4.725 -15.889 -10.040 1.00 0.00 N ATOM 0 H LYS A 54 2.451 -11.382 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 54 3.722 -10.931 -8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.244 -12.732 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.760 -13.548 -6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.564 -13.781 -9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.020 -12.886 -8.705 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.625 -14.637 -6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.185 -15.539 -7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.434 -14.817 -9.369 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.227 -16.388 -8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.160 -16.599 -10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.867 -16.287 -9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.473 -15.048 -10.597 1.00 0.00 H new ATOM 880 N ASN A 55 0.674 -12.153 -8.146 1.00 0.00 N ATOM 881 CA ASN A 55 -0.447 -12.435 -9.088 1.00 0.00 C ATOM 882 C ASN A 55 -0.726 -11.199 -9.948 1.00 0.00 C ATOM 883 O ASN A 55 -1.453 -11.260 -10.919 1.00 0.00 O ATOM 884 CB ASN A 55 -1.697 -12.796 -8.282 1.00 0.00 C ATOM 885 CG ASN A 55 -2.849 -13.120 -9.233 1.00 0.00 C ATOM 886 OD1 ASN A 55 -2.632 -13.567 -10.341 1.00 0.00 O ATOM 887 ND2 ASN A 55 -4.077 -12.913 -8.841 1.00 0.00 N ATOM 0 H ASN A 55 0.439 -12.241 -7.157 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.177 -13.266 -9.740 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.492 -13.652 -7.639 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.973 -11.967 -7.630 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.855 -13.127 -9.466 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.259 -12.538 -7.910 1.00 0.00 H new ATOM 894 N ALA A 56 -0.149 -10.077 -9.605 1.00 0.00 N ATOM 895 CA ALA A 56 -0.377 -8.842 -10.409 1.00 0.00 C ATOM 896 C ALA A 56 0.601 -8.829 -11.592 1.00 0.00 C ATOM 897 O ALA A 56 0.344 -8.238 -12.621 1.00 0.00 O ATOM 898 CB ALA A 56 -0.139 -7.614 -9.523 1.00 0.00 C ATOM 0 H ALA A 56 0.470 -9.963 -8.802 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.400 -8.822 -10.784 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.304 -6.708 -10.105 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.829 -7.634 -8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.886 -7.626 -9.153 1.00 0.00 H new ATOM 904 N GLU A 57 1.717 -9.492 -11.443 1.00 0.00 N ATOM 905 CA GLU A 57 2.729 -9.547 -12.540 1.00 0.00 C ATOM 906 C GLU A 57 3.097 -8.133 -12.988 1.00 0.00 C ATOM 907 O GLU A 57 3.059 -7.815 -14.159 1.00 0.00 O ATOM 908 CB GLU A 57 2.161 -10.337 -13.722 1.00 0.00 C ATOM 909 CG GLU A 57 1.881 -11.776 -13.279 1.00 0.00 C ATOM 910 CD GLU A 57 3.198 -12.477 -12.940 1.00 0.00 C ATOM 911 OE1 GLU A 57 4.230 -12.005 -13.388 1.00 0.00 O ATOM 912 OE2 GLU A 57 3.153 -13.472 -12.235 1.00 0.00 O ATOM 0 H GLU A 57 1.974 -10.004 -10.599 1.00 0.00 H new ATOM 0 HA GLU A 57 3.627 -10.043 -12.172 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.244 -9.869 -14.080 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.867 -10.330 -14.552 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.223 -11.778 -12.410 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.364 -12.317 -14.072 1.00 0.00 H new ATOM 919 N LEU A 58 3.465 -7.285 -12.058 1.00 0.00 N ATOM 920 CA LEU A 58 3.852 -5.885 -12.409 1.00 0.00 C ATOM 921 C LEU A 58 5.382 -5.743 -12.325 1.00 0.00 C ATOM 922 O LEU A 58 6.042 -6.484 -11.622 1.00 0.00 O ATOM 923 CB LEU A 58 3.186 -4.913 -11.423 1.00 0.00 C ATOM 924 CG LEU A 58 1.888 -4.378 -12.032 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.932 -5.540 -12.316 1.00 0.00 C ATOM 926 CD2 LEU A 58 1.243 -3.406 -11.056 1.00 0.00 C ATOM 0 H LEU A 58 3.514 -7.506 -11.063 1.00 0.00 H new ATOM 0 HA LEU A 58 3.524 -5.654 -13.422 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.976 -5.420 -10.481 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.861 -4.088 -11.197 1.00 0.00 H new ATOM 0 HG LEU A 58 2.107 -3.864 -12.968 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.009 -5.154 -12.749 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.399 -6.233 -13.015 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.706 -6.061 -11.386 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.317 -3.021 -11.484 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.024 -3.921 -10.121 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.925 -2.578 -10.863 1.00 0.00 H new ATOM 938 N PRO A 59 5.932 -4.788 -13.032 1.00 0.00 N ATOM 939 CA PRO A 59 7.403 -4.531 -13.035 1.00 0.00 C ATOM 940 C PRO A 59 7.917 -4.018 -11.684 1.00 0.00 C ATOM 941 O PRO A 59 7.190 -3.430 -10.906 1.00 0.00 O ATOM 942 CB PRO A 59 7.598 -3.472 -14.137 1.00 0.00 C ATOM 943 CG PRO A 59 6.263 -2.809 -14.293 1.00 0.00 C ATOM 944 CD PRO A 59 5.211 -3.849 -13.910 1.00 0.00 C ATOM 0 HA PRO A 59 7.967 -5.446 -13.216 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.365 -2.750 -13.857 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.920 -3.932 -15.071 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.190 -1.930 -13.653 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.117 -2.469 -15.318 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.367 -3.390 -13.395 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.811 -4.354 -14.790 1.00 0.00 H new ATOM 952 N LEU A 60 9.172 -4.246 -11.407 1.00 0.00 N ATOM 953 CA LEU A 60 9.760 -3.794 -10.116 1.00 0.00 C ATOM 954 C LEU A 60 9.961 -2.277 -10.117 1.00 0.00 C ATOM 955 O LEU A 60 10.329 -1.680 -11.111 1.00 0.00 O ATOM 956 CB LEU A 60 11.110 -4.483 -9.913 1.00 0.00 C ATOM 957 CG LEU A 60 10.922 -6.004 -9.970 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.285 -6.689 -9.845 1.00 0.00 C ATOM 959 CD2 LEU A 60 10.007 -6.463 -8.821 1.00 0.00 C ATOM 0 H LEU A 60 9.821 -4.731 -12.027 1.00 0.00 H new ATOM 0 HA LEU A 60 9.078 -4.055 -9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.813 -4.164 -10.683 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.537 -4.194 -8.952 1.00 0.00 H new ATOM 0 HG LEU A 60 10.462 -6.274 -10.921 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.154 -7.770 -9.885 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.929 -6.371 -10.665 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.745 -6.414 -8.896 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.878 -7.544 -8.868 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.458 -6.193 -7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.035 -5.978 -8.913 1.00 0.00 H new ATOM 971 N LEU A 61 9.723 -1.659 -8.994 1.00 0.00 N ATOM 972 CA LEU A 61 9.887 -0.181 -8.883 1.00 0.00 C ATOM 973 C LEU A 61 11.361 0.167 -8.671 1.00 0.00 C ATOM 974 O LEU A 61 12.117 -0.602 -8.111 1.00 0.00 O ATOM 975 CB LEU A 61 9.067 0.324 -7.693 1.00 0.00 C ATOM 976 CG LEU A 61 7.595 0.427 -8.094 1.00 0.00 C ATOM 977 CD1 LEU A 61 7.075 -0.955 -8.504 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.784 0.949 -6.907 1.00 0.00 C ATOM 0 H LEU A 61 9.418 -2.120 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 61 9.540 0.292 -9.801 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.178 -0.355 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.436 1.298 -7.371 1.00 0.00 H new ATOM 0 HG LEU A 61 7.493 1.112 -8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.026 -0.879 -8.789 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.655 -1.326 -9.349 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.174 -1.644 -7.666 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.734 1.024 -7.189 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.886 0.263 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.153 1.933 -6.619 1.00 0.00 H new ATOM 990 N GLU A 62 11.771 1.327 -9.118 1.00 0.00 N ATOM 991 CA GLU A 62 13.198 1.745 -8.957 1.00 0.00 C ATOM 992 C GLU A 62 13.320 2.757 -7.815 1.00 0.00 C ATOM 993 O GLU A 62 12.522 3.667 -7.677 1.00 0.00 O ATOM 994 CB GLU A 62 13.677 2.381 -10.257 1.00 0.00 C ATOM 995 CG GLU A 62 13.716 1.311 -11.347 1.00 0.00 C ATOM 996 CD GLU A 62 14.101 1.950 -12.682 1.00 0.00 C ATOM 997 OE1 GLU A 62 14.341 3.146 -12.696 1.00 0.00 O ATOM 998 OE2 GLU A 62 14.147 1.232 -13.667 1.00 0.00 O ATOM 0 H GLU A 62 11.175 2.007 -9.590 1.00 0.00 H new ATOM 0 HA GLU A 62 13.809 0.873 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.009 3.192 -10.548 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.667 2.817 -10.121 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.435 0.535 -11.083 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.742 0.828 -11.431 1.00 0.00 H new ATOM 1005 N GLN A 63 14.313 2.587 -6.987 1.00 0.00 N ATOM 1006 CA GLN A 63 14.505 3.511 -5.837 1.00 0.00 C ATOM 1007 C GLN A 63 15.008 4.871 -6.316 1.00 0.00 C ATOM 1008 O GLN A 63 15.914 4.967 -7.123 1.00 0.00 O ATOM 1009 CB GLN A 63 15.519 2.902 -4.860 1.00 0.00 C ATOM 1010 CG GLN A 63 15.348 3.534 -3.473 1.00 0.00 C ATOM 1011 CD GLN A 63 15.700 5.024 -3.537 1.00 0.00 C ATOM 1012 OE1 GLN A 63 16.593 5.418 -4.261 1.00 0.00 O ATOM 1013 NE2 GLN A 63 15.030 5.874 -2.807 1.00 0.00 N ATOM 0 H GLN A 63 15.005 1.841 -7.059 1.00 0.00 H new ATOM 0 HA GLN A 63 13.547 3.653 -5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.376 1.823 -4.798 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.533 3.069 -5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.321 3.408 -3.129 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.990 3.029 -2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.280 5.544 -2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 63 15.256 6.868 -2.845 1.00 0.00 H new ATOM 1022 N GLY A 64 14.433 5.924 -5.802 1.00 0.00 N ATOM 1023 CA GLY A 64 14.860 7.296 -6.193 1.00 0.00 C ATOM 1024 C GLY A 64 13.964 7.798 -7.320 1.00 0.00 C ATOM 1025 O GLY A 64 13.976 8.962 -7.659 1.00 0.00 O ATOM 0 H GLY A 64 13.676 5.890 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.798 7.967 -5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.901 7.288 -6.516 1.00 0.00 H new ATOM 1029 N GLU A 65 13.201 6.923 -7.922 1.00 0.00 N ATOM 1030 CA GLU A 65 12.315 7.341 -9.050 1.00 0.00 C ATOM 1031 C GLU A 65 10.893 7.585 -8.556 1.00 0.00 C ATOM 1032 O GLU A 65 10.471 7.081 -7.532 1.00 0.00 O ATOM 1033 CB GLU A 65 12.306 6.242 -10.116 1.00 0.00 C ATOM 1034 CG GLU A 65 13.683 6.169 -10.797 1.00 0.00 C ATOM 1035 CD GLU A 65 14.650 5.366 -9.923 1.00 0.00 C ATOM 1036 OE1 GLU A 65 14.265 4.995 -8.828 1.00 0.00 O ATOM 1037 OE2 GLU A 65 15.761 5.135 -10.367 1.00 0.00 O ATOM 0 H GLU A 65 13.153 5.933 -7.680 1.00 0.00 H new ATOM 0 HA GLU A 65 12.698 8.269 -9.474 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.064 5.282 -9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.533 6.447 -10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.590 5.701 -11.777 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.073 7.174 -10.959 1.00 0.00 H new ATOM 1044 N SER A 66 10.154 8.365 -9.300 1.00 0.00 N ATOM 1045 CA SER A 66 8.743 8.675 -8.919 1.00 0.00 C ATOM 1046 C SER A 66 7.788 7.816 -9.744 1.00 0.00 C ATOM 1047 O SER A 66 8.006 7.585 -10.921 1.00 0.00 O ATOM 1048 CB SER A 66 8.461 10.145 -9.183 1.00 0.00 C ATOM 1049 OG SER A 66 8.928 10.488 -10.481 1.00 0.00 O ATOM 0 H SER A 66 10.470 8.805 -10.164 1.00 0.00 H new ATOM 0 HA SER A 66 8.597 8.460 -7.860 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.392 10.342 -9.105 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.954 10.762 -8.432 1.00 0.00 H new ATOM 0 HG SER A 66 8.361 10.060 -11.156 1.00 0.00 H new ATOM 1055 N TYR A 67 6.731 7.340 -9.133 1.00 0.00 N ATOM 1056 CA TYR A 67 5.752 6.484 -9.865 1.00 0.00 C ATOM 1057 C TYR A 67 4.329 6.933 -9.556 1.00 0.00 C ATOM 1058 O TYR A 67 4.049 7.542 -8.544 1.00 0.00 O ATOM 1059 CB TYR A 67 5.922 5.028 -9.435 1.00 0.00 C ATOM 1060 CG TYR A 67 7.228 4.489 -9.966 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.328 4.097 -11.307 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.338 4.381 -9.122 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.538 3.594 -11.800 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.547 3.879 -9.615 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.648 3.488 -10.955 1.00 0.00 C ATOM 1066 OH TYR A 67 10.839 2.994 -11.442 1.00 0.00 O ATOM 0 H TYR A 67 6.505 7.510 -8.153 1.00 0.00 H new ATOM 0 HA TYR A 67 5.935 6.577 -10.936 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.903 4.955 -8.348 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.092 4.429 -9.809 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.472 4.183 -11.960 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.262 4.685 -8.089 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.615 3.288 -12.833 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.403 3.793 -8.962 1.00 0.00 H new ATOM 0 HH TYR A 67 11.310 3.700 -11.933 1.00 0.00 H new ATOM 1076 N LEU A 68 3.428 6.613 -10.439 1.00 0.00 N ATOM 1077 CA LEU A 68 1.994 6.990 -10.241 1.00 0.00 C ATOM 1078 C LEU A 68 1.214 5.744 -9.843 1.00 0.00 C ATOM 1079 O LEU A 68 1.375 4.703 -10.439 1.00 0.00 O ATOM 1080 CB LEU A 68 1.431 7.569 -11.537 1.00 0.00 C ATOM 1081 CG LEU A 68 -0.046 7.943 -11.359 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.197 8.992 -10.247 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.580 8.515 -12.675 1.00 0.00 C ATOM 0 H LEU A 68 3.621 6.101 -11.300 1.00 0.00 H new ATOM 0 HA LEU A 68 1.909 7.743 -9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.003 8.450 -11.828 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.534 6.842 -12.342 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.611 7.053 -11.083 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.250 9.249 -10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.184 8.586 -9.310 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.368 9.886 -10.511 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.630 8.783 -12.556 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.007 9.402 -12.945 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.484 7.767 -13.462 1.00 0.00 H new ATOM 1095 N LEU A 69 0.377 5.840 -8.837 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.415 4.654 -8.383 1.00 0.00 C ATOM 1097 C LEU A 69 -1.879 4.865 -8.733 1.00 0.00 C ATOM 1098 O LEU A 69 -2.549 5.693 -8.149 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.270 4.512 -6.870 1.00 0.00 C ATOM 1100 CG LEU A 69 1.216 4.531 -6.497 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.363 4.455 -4.976 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.927 3.335 -7.145 1.00 0.00 C ATOM 0 H LEU A 69 0.208 6.696 -8.308 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.050 3.752 -8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.793 5.324 -6.366 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.728 3.581 -6.535 1.00 0.00 H new ATOM 0 HG LEU A 69 1.667 5.455 -6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.420 4.469 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.864 5.309 -4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.910 3.533 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.984 3.351 -6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.477 2.408 -6.789 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.826 3.395 -8.229 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.375 4.129 -9.698 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.803 4.287 -10.114 1.00 0.00 C ATOM 1116 C ARG A 70 -4.602 3.031 -9.763 1.00 0.00 C ATOM 1117 O ARG A 70 -4.091 1.927 -9.773 1.00 0.00 O ATOM 1118 CB ARG A 70 -3.869 4.505 -11.621 1.00 0.00 C ATOM 1119 CG ARG A 70 -2.921 5.638 -12.022 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.163 6.011 -13.486 1.00 0.00 C ATOM 1121 NE ARG A 70 -2.868 4.834 -14.353 1.00 0.00 N ATOM 1122 CZ ARG A 70 -3.147 4.869 -15.631 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -3.682 5.936 -16.161 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -2.890 3.830 -16.378 1.00 0.00 N ATOM 0 H ARG A 70 -1.851 3.424 -10.216 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.228 5.143 -9.589 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.596 3.588 -12.143 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.889 4.749 -11.918 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.083 6.506 -11.383 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.886 5.327 -11.881 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.196 6.329 -13.626 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.529 6.852 -13.768 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.447 3.998 -13.948 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.885 6.748 -15.578 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.897 5.957 -17.158 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.473 2.995 -15.965 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.106 3.853 -17.375 1.00 0.00 H new ATOM 1138 N SER A 71 -5.858 3.210 -9.458 1.00 0.00 N ATOM 1139 CA SER A 71 -6.745 2.064 -9.113 1.00 0.00 C ATOM 1140 C SER A 71 -6.109 1.191 -8.035 1.00 0.00 C ATOM 1141 O SER A 71 -5.914 0.009 -8.227 1.00 0.00 O ATOM 1142 CB SER A 71 -7.016 1.224 -10.368 1.00 0.00 C ATOM 1143 OG SER A 71 -5.831 1.139 -11.147 1.00 0.00 O ATOM 0 H SER A 71 -6.315 4.121 -9.433 1.00 0.00 H new ATOM 0 HA SER A 71 -7.685 2.458 -8.727 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.350 0.226 -10.085 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.817 1.674 -10.954 1.00 0.00 H new ATOM 0 HG SER A 71 -5.057 1.032 -10.555 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.802 1.760 -6.894 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.194 0.960 -5.783 1.00 0.00 C ATOM 1151 C VAL A 72 -6.182 0.868 -4.630 1.00 0.00 C ATOM 1152 O VAL A 72 -7.157 1.591 -4.578 1.00 0.00 O ATOM 1153 CB VAL A 72 -3.902 1.620 -5.310 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.829 1.469 -6.394 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.146 3.110 -5.038 1.00 0.00 C ATOM 0 H VAL A 72 -5.947 2.747 -6.683 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.963 -0.042 -6.144 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.568 1.138 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.905 1.940 -6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.649 0.411 -6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.169 1.949 -7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.220 3.575 -4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.484 3.596 -5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.908 3.219 -4.267 1.00 0.00 H new ATOM 1165 N VAL A 73 -5.940 -0.034 -3.711 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.866 -0.213 -2.549 1.00 0.00 C ATOM 1167 C VAL A 73 -6.095 -0.045 -1.242 1.00 0.00 C ATOM 1168 O VAL A 73 -4.915 -0.326 -1.155 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.493 -1.609 -2.617 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.407 -2.678 -2.483 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.509 -1.762 -1.484 1.00 0.00 C ATOM 0 H VAL A 73 -5.134 -0.659 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.654 0.539 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.994 -1.733 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.862 -3.667 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.687 -2.569 -3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.897 -2.561 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.958 -2.754 -1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.007 -1.634 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.288 -1.007 -1.589 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.761 0.437 -0.227 1.00 0.00 N ATOM 1182 CA VAL A 74 -6.093 0.660 1.092 1.00 0.00 C ATOM 1183 C VAL A 74 -6.387 -0.509 2.026 1.00 0.00 C ATOM 1184 O VAL A 74 -7.505 -0.974 2.118 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.620 1.953 1.707 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -5.946 2.190 3.058 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.305 3.116 0.766 1.00 0.00 C ATOM 0 H VAL A 74 -7.749 0.689 -0.254 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.015 0.735 0.946 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.698 1.879 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.324 3.114 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.165 1.356 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.868 2.269 2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.678 4.045 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.227 3.189 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.785 2.945 -0.197 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.382 -0.996 2.710 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.571 -2.150 3.646 1.00 0.00 C ATOM 1199 C GLY A 75 -5.124 -1.755 5.051 1.00 0.00 C ATOM 1200 O GLY A 75 -4.354 -0.832 5.236 1.00 0.00 O ATOM 0 H GLY A 75 -4.427 -0.640 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.618 -2.452 3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.996 -3.009 3.300 1.00 0.00 H new ATOM 1204 N GLU A 76 -5.610 -2.452 6.046 1.00 0.00 N ATOM 1205 CA GLU A 76 -5.228 -2.132 7.452 1.00 0.00 C ATOM 1206 C GLU A 76 -4.152 -3.109 7.918 1.00 0.00 C ATOM 1207 O GLU A 76 -4.443 -4.186 8.398 1.00 0.00 O ATOM 1208 CB GLU A 76 -6.462 -2.268 8.347 1.00 0.00 C ATOM 1209 CG GLU A 76 -6.132 -1.764 9.754 1.00 0.00 C ATOM 1210 CD GLU A 76 -5.961 -0.243 9.724 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -6.234 0.347 8.690 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -5.562 0.306 10.736 1.00 0.00 O ATOM 0 H GLU A 76 -6.258 -3.233 5.943 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.842 -1.114 7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.291 -1.697 7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.781 -3.309 8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.928 -2.038 10.446 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.219 -2.236 10.116 1.00 0.00 H new ATOM 1219 N TYR A 77 -2.906 -2.734 7.780 1.00 0.00 N ATOM 1220 CA TYR A 77 -1.785 -3.627 8.211 1.00 0.00 C ATOM 1221 C TYR A 77 -1.165 -3.090 9.505 1.00 0.00 C ATOM 1222 O TYR A 77 -0.652 -1.987 9.560 1.00 0.00 O ATOM 1223 CB TYR A 77 -0.736 -3.670 7.097 1.00 0.00 C ATOM 1224 CG TYR A 77 0.465 -4.465 7.555 1.00 0.00 C ATOM 1225 CD1 TYR A 77 0.395 -5.862 7.631 1.00 0.00 C ATOM 1226 CD2 TYR A 77 1.650 -3.804 7.900 1.00 0.00 C ATOM 1227 CE1 TYR A 77 1.510 -6.597 8.051 1.00 0.00 C ATOM 1228 CE2 TYR A 77 2.766 -4.539 8.317 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.696 -5.936 8.393 1.00 0.00 C ATOM 1230 OH TYR A 77 3.796 -6.659 8.804 1.00 0.00 O ATOM 0 H TYR A 77 -2.614 -1.841 7.384 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.158 -4.634 8.398 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.162 -4.121 6.201 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.433 -2.657 6.831 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.519 -6.372 7.366 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.703 -2.727 7.844 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.455 -7.674 8.111 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.681 -4.029 8.580 1.00 0.00 H new ATOM 0 HH TYR A 77 4.535 -6.046 9.002 1.00 0.00 H new ATOM 1240 N ASN A 78 -1.213 -3.880 10.545 1.00 0.00 N ATOM 1241 CA ASN A 78 -0.635 -3.473 11.862 1.00 0.00 C ATOM 1242 C ASN A 78 -1.200 -2.121 12.304 1.00 0.00 C ATOM 1243 O ASN A 78 -0.472 -1.223 12.673 1.00 0.00 O ATOM 1244 CB ASN A 78 0.889 -3.405 11.753 1.00 0.00 C ATOM 1245 CG ASN A 78 1.435 -4.801 11.428 1.00 0.00 C ATOM 1246 OD1 ASN A 78 2.532 -4.935 10.928 1.00 0.00 O ATOM 1247 ND2 ASN A 78 0.707 -5.855 11.691 1.00 0.00 N ATOM 0 H ASN A 78 -1.636 -4.808 10.538 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.907 -4.215 12.613 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.179 -2.698 10.975 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.316 -3.043 12.688 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.062 -6.787 11.476 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.216 -5.745 12.111 1.00 0.00 H new ATOM 1254 N ASP A 79 -2.501 -1.985 12.276 1.00 0.00 N ATOM 1255 CA ASP A 79 -3.156 -0.710 12.702 1.00 0.00 C ATOM 1256 C ASP A 79 -2.762 0.431 11.764 1.00 0.00 C ATOM 1257 O ASP A 79 -3.344 1.496 11.794 1.00 0.00 O ATOM 1258 CB ASP A 79 -2.735 -0.359 14.136 1.00 0.00 C ATOM 1259 CG ASP A 79 -3.716 0.659 14.721 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -4.509 1.189 13.960 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -3.657 0.892 15.917 1.00 0.00 O ATOM 0 H ASP A 79 -3.147 -2.714 11.972 1.00 0.00 H new ATOM 0 HA ASP A 79 -4.237 -0.846 12.662 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.717 -1.258 14.752 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.725 0.050 14.140 1.00 0.00 H new ATOM 1266 N ARG A 80 -1.771 0.225 10.939 1.00 0.00 N ATOM 1267 CA ARG A 80 -1.328 1.305 10.006 1.00 0.00 C ATOM 1268 C ARG A 80 -1.968 1.116 8.633 1.00 0.00 C ATOM 1269 O ARG A 80 -2.190 0.010 8.177 1.00 0.00 O ATOM 1270 CB ARG A 80 0.190 1.263 9.867 1.00 0.00 C ATOM 1271 CG ARG A 80 0.833 1.634 11.203 1.00 0.00 C ATOM 1272 CD ARG A 80 2.356 1.600 11.063 1.00 0.00 C ATOM 1273 NE ARG A 80 2.802 0.202 10.800 1.00 0.00 N ATOM 1274 CZ ARG A 80 2.980 -0.634 11.789 1.00 0.00 C ATOM 1275 NH1 ARG A 80 2.790 -0.247 13.022 1.00 0.00 N ATOM 1276 NH2 ARG A 80 3.355 -1.859 11.544 1.00 0.00 N ATOM 0 H ARG A 80 -1.247 -0.647 10.870 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.637 2.269 10.410 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.511 0.267 9.561 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.514 1.955 9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.508 2.627 11.512 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.513 0.938 11.979 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.671 2.252 10.249 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.824 1.977 11.973 1.00 0.00 H new ATOM 0 HE ARG A 80 2.969 -0.104 9.842 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.501 0.712 13.217 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.930 -0.903 13.790 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.509 -2.163 10.582 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.495 -2.513 12.314 1.00 0.00 H new ATOM 1290 N PHE A 81 -2.257 2.200 7.968 1.00 0.00 N ATOM 1291 CA PHE A 81 -2.878 2.114 6.618 1.00 0.00 C ATOM 1292 C PHE A 81 -1.811 1.727 5.593 1.00 0.00 C ATOM 1293 O PHE A 81 -0.660 2.100 5.713 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.476 3.475 6.253 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.706 3.721 7.096 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -5.956 3.261 6.665 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -4.594 4.411 8.309 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -7.093 3.488 7.450 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -5.731 4.638 9.093 1.00 0.00 C ATOM 1300 CZ PHE A 81 -6.981 4.179 8.662 1.00 0.00 C ATOM 0 H PHE A 81 -2.088 3.148 8.305 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.665 1.360 6.620 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.743 4.264 6.420 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.735 3.499 5.195 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.043 2.731 5.728 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.630 4.768 8.640 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -8.057 3.130 7.120 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.644 5.167 10.030 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.859 4.358 9.265 1.00 0.00 H new ATOM 1310 N GLN A 82 -2.178 0.975 4.587 1.00 0.00 N ATOM 1311 CA GLN A 82 -1.179 0.558 3.558 1.00 0.00 C ATOM 1312 C GLN A 82 -1.867 0.448 2.199 1.00 0.00 C ATOM 1313 O GLN A 82 -3.045 0.165 2.109 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.583 -0.803 3.953 1.00 0.00 C ATOM 1315 CG GLN A 82 0.437 -1.255 2.896 1.00 0.00 C ATOM 1316 CD GLN A 82 1.091 -2.574 3.328 1.00 0.00 C ATOM 1317 OE1 GLN A 82 0.421 -3.572 3.497 1.00 0.00 O ATOM 1318 NE2 GLN A 82 2.387 -2.620 3.509 1.00 0.00 N ATOM 0 H GLN A 82 -3.126 0.632 4.434 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.381 1.298 3.497 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.101 -0.729 4.928 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.377 -1.544 4.045 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.057 -1.383 1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.200 -0.488 2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.952 -1.782 3.367 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.832 -3.493 3.791 1.00 0.00 H new ATOM 1327 N VAL A 83 -1.130 0.666 1.140 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.726 0.577 -0.230 1.00 0.00 C ATOM 1329 C VAL A 83 -1.304 -0.741 -0.875 1.00 0.00 C ATOM 1330 O VAL A 83 -0.132 -1.029 -1.022 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.221 1.755 -1.083 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.106 2.976 -0.840 1.00 0.00 C ATOM 1333 CG2 VAL A 83 0.224 2.093 -0.695 1.00 0.00 C ATOM 0 H VAL A 83 -0.138 0.903 1.164 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.813 0.619 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.259 1.477 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.749 3.810 -1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.134 2.741 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.068 3.249 0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.578 2.927 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.263 2.368 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.860 1.224 -0.867 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.261 -1.542 -1.264 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.936 -2.851 -1.904 1.00 0.00 C ATOM 1345 C GLN A 84 -2.125 -2.737 -3.412 1.00 0.00 C ATOM 1346 O GLN A 84 -3.154 -2.301 -3.890 1.00 0.00 O ATOM 1347 CB GLN A 84 -2.869 -3.930 -1.358 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.574 -4.151 0.126 1.00 0.00 C ATOM 1349 CD GLN A 84 -3.484 -5.255 0.666 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -3.599 -6.307 0.071 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -4.139 -5.059 1.778 1.00 0.00 N ATOM 0 H GLN A 84 -3.257 -1.345 -1.166 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.902 -3.117 -1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.908 -3.630 -1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.731 -4.860 -1.910 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.528 -4.427 0.263 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.735 -3.227 0.682 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.042 -4.175 2.278 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.747 -5.790 2.147 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.134 -3.128 -4.166 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.232 -3.057 -5.652 1.00 0.00 C ATOM 1362 C VAL A 85 -1.570 -4.441 -6.196 1.00 0.00 C ATOM 1363 O VAL A 85 -0.988 -5.432 -5.792 1.00 0.00 O ATOM 1364 CB VAL A 85 0.101 -2.591 -6.228 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.065 -2.313 -7.722 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.540 -1.309 -5.516 1.00 0.00 C ATOM 0 H VAL A 85 -0.252 -3.497 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.012 -2.351 -5.937 1.00 0.00 H new ATOM 0 HB VAL A 85 0.855 -3.364 -6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.886 -1.980 -8.138 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.383 -3.224 -8.229 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.816 -1.537 -7.866 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.493 -0.973 -5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.212 -0.534 -5.665 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.652 -1.505 -4.450 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.514 -4.519 -7.102 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.912 -5.839 -7.679 1.00 0.00 C ATOM 1378 C ASN A 86 -2.958 -5.749 -9.204 1.00 0.00 C ATOM 1379 O ASN A 86 -2.507 -4.790 -9.802 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.302 -6.220 -7.164 1.00 0.00 C ATOM 1381 CG ASN A 86 -5.286 -5.075 -7.426 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -5.313 -4.515 -8.504 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -6.105 -4.706 -6.478 1.00 0.00 N ATOM 0 H ASN A 86 -3.029 -3.718 -7.468 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.182 -6.592 -7.380 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.647 -7.128 -7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.257 -6.436 -6.097 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.767 -3.948 -6.643 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.082 -5.176 -5.573 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.503 -6.755 -9.827 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.602 -6.777 -11.314 1.00 0.00 C ATOM 1392 C LYS A 87 -4.469 -5.611 -11.798 1.00 0.00 C ATOM 1393 O LYS A 87 -4.159 -4.957 -12.774 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.238 -8.102 -11.746 1.00 0.00 C ATOM 1395 CG LYS A 87 -4.246 -8.203 -13.272 1.00 0.00 C ATOM 1396 CD LYS A 87 -4.811 -9.563 -13.697 1.00 0.00 C ATOM 1397 CE LYS A 87 -4.787 -9.673 -15.224 1.00 0.00 C ATOM 1398 NZ LYS A 87 -5.759 -8.705 -15.810 1.00 0.00 N ATOM 0 H LYS A 87 -3.890 -7.576 -9.362 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.607 -6.680 -11.749 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.682 -8.938 -11.321 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.256 -8.168 -11.363 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.848 -7.400 -13.696 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.234 -8.082 -13.659 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.223 -10.367 -13.255 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.831 -9.675 -13.330 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.784 -9.468 -15.598 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.040 -10.688 -15.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.945 -8.957 -16.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.648 -8.737 -15.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.362 -7.745 -15.766 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.559 -5.353 -11.130 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.453 -4.236 -11.556 1.00 0.00 C ATOM 1414 C ASN A 88 -5.724 -2.899 -11.391 1.00 0.00 C ATOM 1415 O ASN A 88 -6.064 -1.914 -12.015 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.718 -4.239 -10.686 1.00 0.00 C ATOM 1417 CG ASN A 88 -8.682 -5.328 -11.169 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -8.580 -5.794 -12.286 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -9.621 -5.753 -10.368 1.00 0.00 N ATOM 0 H ASN A 88 -5.871 -5.867 -10.306 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.727 -4.370 -12.603 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.452 -4.413 -9.643 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.204 -3.264 -10.733 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.269 -6.476 -10.680 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.707 -5.362 -9.430 1.00 0.00 H new ATOM 1426 N SER A 89 -4.726 -2.856 -10.552 1.00 0.00 N ATOM 1427 CA SER A 89 -3.980 -1.580 -10.342 1.00 0.00 C ATOM 1428 C SER A 89 -2.949 -1.384 -11.454 1.00 0.00 C ATOM 1429 O SER A 89 -2.617 -2.302 -12.177 1.00 0.00 O ATOM 1430 CB SER A 89 -3.272 -1.615 -8.990 1.00 0.00 C ATOM 1431 OG SER A 89 -4.244 -1.722 -7.958 1.00 0.00 O ATOM 0 H SER A 89 -4.394 -3.648 -10.002 1.00 0.00 H new ATOM 0 HA SER A 89 -4.687 -0.750 -10.362 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.584 -2.460 -8.948 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.677 -0.712 -8.854 1.00 0.00 H new ATOM 0 HG SER A 89 -5.068 -1.270 -8.236 1.00 0.00 H new ATOM 1437 N SER A 90 -2.441 -0.185 -11.595 1.00 0.00 N ATOM 1438 CA SER A 90 -1.430 0.092 -12.658 1.00 0.00 C ATOM 1439 C SER A 90 -0.360 1.028 -12.110 1.00 0.00 C ATOM 1440 O SER A 90 -0.559 1.693 -11.106 1.00 0.00 O ATOM 1441 CB SER A 90 -2.115 0.747 -13.852 1.00 0.00 C ATOM 1442 OG SER A 90 -2.535 2.055 -13.495 1.00 0.00 O ATOM 0 H SER A 90 -2.686 0.618 -11.015 1.00 0.00 H new ATOM 0 HA SER A 90 -0.968 -0.844 -12.972 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.430 0.791 -14.699 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.972 0.151 -14.166 1.00 0.00 H new ATOM 0 HG SER A 90 -3.335 2.293 -14.009 1.00 0.00 H new ATOM 1448 N ILE A 91 0.772 1.099 -12.769 1.00 0.00 N ATOM 1449 CA ILE A 91 1.866 1.995 -12.299 1.00 0.00 C ATOM 1450 C ILE A 91 2.508 2.692 -13.495 1.00 0.00 C ATOM 1451 O ILE A 91 2.837 2.064 -14.483 1.00 0.00 O ATOM 1452 CB ILE A 91 2.926 1.162 -11.579 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.276 0.421 -10.406 1.00 0.00 C ATOM 1454 CG2 ILE A 91 4.020 2.092 -11.048 1.00 0.00 C ATOM 1455 CD1 ILE A 91 3.310 -0.475 -9.728 1.00 0.00 C ATOM 0 H ILE A 91 0.982 0.571 -13.616 1.00 0.00 H new ATOM 0 HA ILE A 91 1.455 2.741 -11.619 1.00 0.00 H new ATOM 0 HB ILE A 91 3.361 0.441 -12.271 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.874 1.137 -9.689 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.438 -0.179 -10.761 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.779 1.504 -10.533 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.478 2.627 -11.880 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.583 2.808 -10.352 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.845 -1.001 -8.894 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.691 -1.200 -10.447 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.134 0.135 -9.358 1.00 0.00 H new ATOM 1467 N GLU A 92 2.694 3.988 -13.412 1.00 0.00 N ATOM 1468 CA GLU A 92 3.332 4.738 -14.543 1.00 0.00 C ATOM 1469 C GLU A 92 4.442 5.635 -13.990 1.00 0.00 C ATOM 1470 O GLU A 92 4.283 6.298 -12.982 1.00 0.00 O ATOM 1471 CB GLU A 92 2.283 5.606 -15.243 1.00 0.00 C ATOM 1472 CG GLU A 92 1.144 4.724 -15.759 1.00 0.00 C ATOM 1473 CD GLU A 92 0.121 5.589 -16.500 1.00 0.00 C ATOM 1474 OE1 GLU A 92 0.354 6.782 -16.614 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -0.877 5.045 -16.943 1.00 0.00 O ATOM 0 H GLU A 92 2.432 4.560 -12.609 1.00 0.00 H new ATOM 0 HA GLU A 92 3.750 4.029 -15.258 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.893 6.352 -14.550 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.740 6.148 -16.071 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.538 3.957 -16.426 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.665 4.208 -14.927 1.00 0.00 H new ATOM 1482 N LYS A 93 5.569 5.653 -14.647 1.00 0.00 N ATOM 1483 CA LYS A 93 6.705 6.497 -14.183 1.00 0.00 C ATOM 1484 C LYS A 93 6.499 7.931 -14.661 1.00 0.00 C ATOM 1485 O LYS A 93 6.140 8.167 -15.798 1.00 0.00 O ATOM 1486 CB LYS A 93 8.009 5.939 -14.753 1.00 0.00 C ATOM 1487 CG LYS A 93 9.197 6.758 -14.239 1.00 0.00 C ATOM 1488 CD LYS A 93 10.500 6.145 -14.762 1.00 0.00 C ATOM 1489 CE LYS A 93 11.693 6.949 -14.239 1.00 0.00 C ATOM 1490 NZ LYS A 93 12.962 6.338 -14.732 1.00 0.00 N ATOM 0 H LYS A 93 5.752 5.114 -15.493 1.00 0.00 H new ATOM 0 HA LYS A 93 6.754 6.488 -13.094 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.124 4.894 -14.464 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.981 5.967 -15.842 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.110 7.793 -14.570 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.200 6.771 -13.149 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.580 5.107 -14.441 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.500 6.142 -15.852 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.622 7.984 -14.573 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.684 6.965 -13.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.772 6.885 -14.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.030 5.357 -14.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.970 6.345 -15.772 1.00 0.00 H new ATOM 1504 N LEU A 94 6.727 8.891 -13.799 1.00 0.00 N ATOM 1505 CA LEU A 94 6.555 10.332 -14.182 1.00 0.00 C ATOM 1506 C LEU A 94 7.911 11.014 -14.261 1.00 0.00 C ATOM 1507 O LEU A 94 8.007 12.187 -14.562 1.00 0.00 O ATOM 1508 CB LEU A 94 5.669 11.017 -13.128 1.00 0.00 C ATOM 1509 CG LEU A 94 4.185 10.846 -13.499 1.00 0.00 C ATOM 1510 CD1 LEU A 94 3.842 11.722 -14.725 1.00 0.00 C ATOM 1511 CD2 LEU A 94 3.888 9.369 -13.822 1.00 0.00 C ATOM 0 H LEU A 94 7.028 8.739 -12.836 1.00 0.00 H new ATOM 0 HA LEU A 94 6.081 10.405 -15.161 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.859 10.586 -12.145 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.917 12.076 -13.065 1.00 0.00 H new ATOM 0 HG LEU A 94 3.574 11.158 -12.652 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.790 11.595 -14.980 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.034 12.769 -14.489 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.460 11.421 -15.571 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.836 9.258 -14.083 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.506 9.049 -14.661 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.112 8.754 -12.951 1.00 0.00 H new ATOM 1523 N SER A 95 8.956 10.287 -14.007 1.00 0.00 N ATOM 1524 CA SER A 95 10.313 10.883 -14.074 1.00 0.00 C ATOM 1525 C SER A 95 10.346 12.178 -13.273 1.00 0.00 C ATOM 1526 O SER A 95 11.264 12.966 -13.405 1.00 0.00 O ATOM 1527 CB SER A 95 10.655 11.184 -15.535 1.00 0.00 C ATOM 1528 OG SER A 95 10.256 12.513 -15.852 1.00 0.00 O ATOM 0 H SER A 95 8.929 9.299 -13.754 1.00 0.00 H new ATOM 0 HA SER A 95 11.039 10.184 -13.658 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.726 11.065 -15.701 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.150 10.475 -16.191 1.00 0.00 H new ATOM 0 HG SER A 95 9.299 12.620 -15.668 1.00 0.00 H new ATOM 1534 N GLU A 96 9.355 12.409 -12.440 1.00 0.00 N ATOM 1535 CA GLU A 96 9.318 13.661 -11.628 1.00 0.00 C ATOM 1536 C GLU A 96 9.467 13.305 -10.138 1.00 0.00 C ATOM 1537 O GLU A 96 8.580 12.716 -9.557 1.00 0.00 O ATOM 1538 CB GLU A 96 7.991 14.372 -11.845 1.00 0.00 C ATOM 1539 CG GLU A 96 8.024 15.090 -13.198 1.00 0.00 C ATOM 1540 CD GLU A 96 8.900 16.345 -13.094 1.00 0.00 C ATOM 1541 OE1 GLU A 96 8.441 17.316 -12.517 1.00 0.00 O ATOM 1542 OE2 GLU A 96 10.013 16.311 -13.595 1.00 0.00 O ATOM 0 H GLU A 96 8.568 11.777 -12.290 1.00 0.00 H new ATOM 0 HA GLU A 96 10.134 14.316 -11.934 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.171 13.654 -11.820 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.812 15.088 -11.043 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.417 14.423 -13.965 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.013 15.364 -13.500 1.00 0.00 H new ATOM 1549 N PRO A 97 10.583 13.637 -9.530 1.00 0.00 N ATOM 1550 CA PRO A 97 10.845 13.320 -8.095 1.00 0.00 C ATOM 1551 C PRO A 97 10.005 14.163 -7.143 1.00 0.00 C ATOM 1552 O PRO A 97 9.643 15.283 -7.442 1.00 0.00 O ATOM 1553 CB PRO A 97 12.346 13.612 -7.931 1.00 0.00 C ATOM 1554 CG PRO A 97 12.658 14.636 -8.975 1.00 0.00 C ATOM 1555 CD PRO A 97 11.702 14.384 -10.130 1.00 0.00 C ATOM 0 HA PRO A 97 10.577 12.293 -7.848 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.568 13.987 -6.932 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.941 12.710 -8.073 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.531 15.644 -8.580 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.694 14.551 -9.304 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.361 15.319 -10.574 1.00 0.00 H new ATOM 0 HD3 PRO A 97 12.181 13.811 -10.923 1.00 0.00 H new ATOM 1563 N ILE A 98 9.704 13.632 -5.987 1.00 0.00 N ATOM 1564 CA ILE A 98 8.889 14.388 -4.984 1.00 0.00 C ATOM 1565 C ILE A 98 9.789 14.876 -3.854 1.00 0.00 C ATOM 1566 O ILE A 98 10.714 14.198 -3.448 1.00 0.00 O ATOM 1567 CB ILE A 98 7.803 13.475 -4.426 1.00 0.00 C ATOM 1568 CG1 ILE A 98 7.121 12.745 -5.587 1.00 0.00 C ATOM 1569 CG2 ILE A 98 6.772 14.314 -3.667 1.00 0.00 C ATOM 1570 CD1 ILE A 98 6.596 13.761 -6.613 1.00 0.00 C ATOM 0 H ILE A 98 9.989 12.699 -5.690 1.00 0.00 H new ATOM 0 HA ILE A 98 8.425 15.249 -5.464 1.00 0.00 H new ATOM 0 HB ILE A 98 8.244 12.748 -3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.827 12.066 -6.065 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.298 12.137 -5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 98 5.995 13.662 -3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.262 14.839 -2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.323 15.040 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.113 13.232 -7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.875 14.423 -6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.427 14.350 -7.000 1.00 0.00 H new ATOM 1582 N GLU A 99 9.527 16.049 -3.342 1.00 0.00 N ATOM 1583 CA GLU A 99 10.366 16.591 -2.237 1.00 0.00 C ATOM 1584 C GLU A 99 9.794 16.154 -0.888 1.00 0.00 C ATOM 1585 O GLU A 99 8.649 16.411 -0.563 1.00 0.00 O ATOM 1586 CB GLU A 99 10.385 18.124 -2.314 1.00 0.00 C ATOM 1587 CG GLU A 99 11.137 18.580 -3.573 1.00 0.00 C ATOM 1588 CD GLU A 99 12.624 18.231 -3.448 1.00 0.00 C ATOM 1589 OE1 GLU A 99 13.036 17.839 -2.368 1.00 0.00 O ATOM 1590 OE2 GLU A 99 13.328 18.371 -4.434 1.00 0.00 O ATOM 0 H GLU A 99 8.765 16.656 -3.644 1.00 0.00 H new ATOM 0 HA GLU A 99 11.382 16.208 -2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.365 18.508 -2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.865 18.535 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.714 18.098 -4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.017 19.655 -3.709 1.00 0.00 H new