USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 501 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 69 MET CE :methyl -108:sc= -2.16 (180deg=-2.97!) USER MOD Set 1.2: A 72 GLN : amide:sc= -0.159 X(o=-2.3,f=-2.4) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -5.99! C(o=-6!,f=-8.9!) USER MOD Single : A 17 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.61) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.385 USER MOD Single : A 30 SER OG : rot 46:sc= 1.06 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.01 X(o=-1,f=-0.75) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.79 K(o=-2.8,f=-8.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.886 K(o=0.89,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.290 -9.259 -10.583 1.00 0.00 N ATOM 60 CA GLY A 7 -0.962 -7.852 -10.421 1.00 0.00 C ATOM 61 C GLY A 7 -0.238 -7.606 -9.096 1.00 0.00 C ATOM 62 O GLY A 7 0.139 -8.552 -8.406 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.334 -7.524 -11.249 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.874 -7.256 -10.457 1.00 0.00 H new ATOM 66 N PRO A 8 -0.062 -6.298 -8.771 1.00 0.00 N ATOM 67 CA PRO A 8 0.609 -5.915 -7.541 1.00 0.00 C ATOM 68 C PRO A 8 -0.301 -6.129 -6.330 1.00 0.00 C ATOM 69 O PRO A 8 0.174 -6.440 -5.239 1.00 0.00 O ATOM 70 CB PRO A 8 0.999 -4.460 -7.741 1.00 0.00 C ATOM 71 CG PRO A 8 0.129 -3.948 -8.877 1.00 0.00 C ATOM 72 CD PRO A 8 -0.496 -5.151 -9.564 1.00 0.00 C ATOM 0 HA PRO A 8 1.489 -6.524 -7.335 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.833 -3.883 -6.831 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.057 -4.370 -7.988 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.645 -3.282 -8.495 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.725 -3.371 -9.584 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.583 -5.074 -9.586 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.161 -5.235 -10.598 1.00 0.00 H new ATOM 80 N ILE A 9 -1.594 -5.954 -6.563 1.00 0.00 N ATOM 81 CA ILE A 9 -2.575 -6.124 -5.505 1.00 0.00 C ATOM 82 C ILE A 9 -2.620 -7.595 -5.089 1.00 0.00 C ATOM 83 O ILE A 9 -2.124 -7.958 -4.023 1.00 0.00 O ATOM 84 CB ILE A 9 -3.932 -5.565 -5.938 1.00 0.00 C ATOM 85 CG1 ILE A 9 -3.792 -4.138 -6.473 1.00 0.00 C ATOM 86 CG2 ILE A 9 -4.950 -5.654 -4.800 1.00 0.00 C ATOM 87 CD1 ILE A 9 -5.133 -3.612 -6.988 1.00 0.00 C ATOM 0 H ILE A 9 -1.985 -5.696 -7.469 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.287 -5.552 -4.623 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.309 -6.179 -6.756 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.420 -3.485 -5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.056 -4.118 -7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.906 -5.250 -5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.079 -6.696 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.592 -5.079 -3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.006 -2.596 -7.362 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.490 -4.254 -7.793 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.860 -3.611 -6.176 1.00 0.00 H new ATOM 99 N SER A 10 -3.220 -8.403 -5.951 1.00 0.00 N ATOM 100 CA SER A 10 -3.336 -9.827 -5.686 1.00 0.00 C ATOM 101 C SER A 10 -2.041 -10.351 -5.063 1.00 0.00 C ATOM 102 O SER A 10 -2.059 -10.932 -3.979 1.00 0.00 O ATOM 103 CB SER A 10 -3.661 -10.600 -6.965 1.00 0.00 C ATOM 104 OG SER A 10 -4.954 -11.197 -6.915 1.00 0.00 O ATOM 0 H SER A 10 -3.631 -8.099 -6.834 1.00 0.00 H new ATOM 0 HA SER A 10 -4.156 -9.979 -4.984 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.606 -9.926 -7.820 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.910 -11.374 -7.121 1.00 0.00 H new ATOM 0 HG SER A 10 -5.124 -11.680 -7.751 1.00 0.00 H new ATOM 110 N ARG A 11 -0.946 -10.127 -5.775 1.00 0.00 N ATOM 111 CA ARG A 11 0.356 -10.569 -5.306 1.00 0.00 C ATOM 112 C ARG A 11 0.535 -10.217 -3.828 1.00 0.00 C ATOM 113 O ARG A 11 0.726 -11.102 -2.995 1.00 0.00 O ATOM 114 CB ARG A 11 1.482 -9.924 -6.117 1.00 0.00 C ATOM 115 CG ARG A 11 2.834 -10.552 -5.773 1.00 0.00 C ATOM 116 CD ARG A 11 3.685 -9.597 -4.934 1.00 0.00 C ATOM 117 NE ARG A 11 5.118 -9.937 -5.077 1.00 0.00 N ATOM 118 CZ ARG A 11 5.889 -9.527 -6.094 1.00 0.00 C ATOM 119 NH1 ARG A 11 5.370 -8.760 -7.062 1.00 0.00 N ATOM 120 NH2 ARG A 11 7.180 -9.885 -6.142 1.00 0.00 N ATOM 0 H ARG A 11 -0.934 -9.645 -6.674 1.00 0.00 H new ATOM 0 HA ARG A 11 0.405 -11.650 -5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.282 -10.043 -7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.513 -8.853 -5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.678 -11.482 -5.226 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.365 -10.807 -6.690 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.513 -8.569 -5.252 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.391 -9.660 -3.886 1.00 0.00 H new ATOM 0 HE ARG A 11 5.546 -10.519 -4.357 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.388 -8.488 -7.025 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.957 -8.448 -7.836 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.575 -10.469 -5.405 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.767 -9.573 -6.916 1.00 0.00 H new ATOM 134 N LEU A 12 0.467 -8.924 -3.548 1.00 0.00 N ATOM 135 CA LEU A 12 0.619 -8.445 -2.184 1.00 0.00 C ATOM 136 C LEU A 12 -0.335 -9.215 -1.268 1.00 0.00 C ATOM 137 O LEU A 12 0.048 -9.626 -0.174 1.00 0.00 O ATOM 138 CB LEU A 12 0.435 -6.927 -2.127 1.00 0.00 C ATOM 139 CG LEU A 12 1.347 -6.178 -1.152 1.00 0.00 C ATOM 140 CD1 LEU A 12 0.843 -4.753 -0.916 1.00 0.00 C ATOM 141 CD2 LEU A 12 1.505 -6.954 0.157 1.00 0.00 C ATOM 0 H LEU A 12 0.309 -8.193 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 12 1.630 -8.635 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.595 -6.523 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.601 -6.716 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 12 2.337 -6.100 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.508 -4.242 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.824 -4.212 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.163 -4.787 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.158 -6.400 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.528 -7.085 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.942 -7.931 -0.050 1.00 0.00 H new ATOM 153 N ALA A 13 -1.557 -9.387 -1.750 1.00 0.00 N ATOM 154 CA ALA A 13 -2.568 -10.100 -0.988 1.00 0.00 C ATOM 155 C ALA A 13 -2.071 -11.516 -0.690 1.00 0.00 C ATOM 156 O ALA A 13 -2.246 -12.019 0.419 1.00 0.00 O ATOM 157 CB ALA A 13 -3.888 -10.095 -1.761 1.00 0.00 C ATOM 0 H ALA A 13 -1.870 -9.045 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.748 -9.606 -0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.646 -10.630 -1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.212 -9.067 -1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.747 -10.585 -2.724 1.00 0.00 H new ATOM 163 N GLN A 14 -1.462 -12.120 -1.700 1.00 0.00 N ATOM 164 CA GLN A 14 -0.939 -13.468 -1.561 1.00 0.00 C ATOM 165 C GLN A 14 0.160 -13.504 -0.497 1.00 0.00 C ATOM 166 O GLN A 14 0.381 -14.534 0.137 1.00 0.00 O ATOM 167 CB GLN A 14 -0.422 -13.997 -2.901 1.00 0.00 C ATOM 168 CG GLN A 14 -1.581 -14.398 -3.816 1.00 0.00 C ATOM 169 CD GLN A 14 -1.177 -15.548 -4.740 1.00 0.00 C ATOM 170 OE1 GLN A 14 -1.191 -16.710 -4.371 1.00 0.00 O ATOM 171 NE2 GLN A 14 -0.817 -15.160 -5.960 1.00 0.00 N ATOM 0 H GLN A 14 -1.319 -11.700 -2.618 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.751 -14.120 -1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.183 -13.233 -3.389 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.226 -14.857 -2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.439 -14.695 -3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.892 -13.540 -4.412 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.828 -14.170 -6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.530 -15.853 -6.652 1.00 0.00 H new ATOM 180 N ILE A 15 0.818 -12.366 -0.334 1.00 0.00 N ATOM 181 CA ILE A 15 1.888 -12.254 0.643 1.00 0.00 C ATOM 182 C ILE A 15 1.284 -12.069 2.036 1.00 0.00 C ATOM 183 O ILE A 15 1.822 -12.572 3.022 1.00 0.00 O ATOM 184 CB ILE A 15 2.865 -11.146 0.244 1.00 0.00 C ATOM 185 CG1 ILE A 15 3.560 -11.477 -1.078 1.00 0.00 C ATOM 186 CG2 ILE A 15 3.868 -10.868 1.365 1.00 0.00 C ATOM 187 CD1 ILE A 15 4.355 -10.277 -1.596 1.00 0.00 C ATOM 0 H ILE A 15 0.631 -11.513 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 15 2.476 -13.171 0.670 1.00 0.00 H new ATOM 0 HB ILE A 15 2.296 -10.230 0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.228 -12.327 -0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.817 -11.773 -1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.550 -10.077 1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.334 -10.555 2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.436 -11.774 1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.839 -10.540 -2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.681 -9.436 -1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.113 -9.999 -0.864 1.00 0.00 H new ATOM 199 N GLN A 16 0.175 -11.346 2.074 1.00 0.00 N ATOM 200 CA GLN A 16 -0.508 -11.088 3.330 1.00 0.00 C ATOM 201 C GLN A 16 -1.141 -12.375 3.864 1.00 0.00 C ATOM 202 O GLN A 16 -1.282 -12.546 5.074 1.00 0.00 O ATOM 203 CB GLN A 16 -1.559 -9.988 3.168 1.00 0.00 C ATOM 204 CG GLN A 16 -0.916 -8.682 2.695 1.00 0.00 C ATOM 205 CD GLN A 16 0.461 -8.486 3.333 1.00 0.00 C ATOM 206 OE1 GLN A 16 1.460 -8.283 2.664 1.00 0.00 O ATOM 207 NE2 GLN A 16 0.456 -8.558 4.661 1.00 0.00 N ATOM 0 H GLN A 16 -0.268 -10.930 1.255 1.00 0.00 H new ATOM 0 HA GLN A 16 0.227 -10.739 4.055 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.316 -10.306 2.451 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.069 -9.824 4.118 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.820 -8.692 1.609 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.562 -7.842 2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.417 -8.731 5.159 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.325 -8.440 5.181 1.00 0.00 H new ATOM 216 N GLN A 17 -1.505 -13.247 2.936 1.00 0.00 N ATOM 217 CA GLN A 17 -2.119 -14.513 3.298 1.00 0.00 C ATOM 218 C GLN A 17 -1.045 -15.580 3.519 1.00 0.00 C ATOM 219 O GLN A 17 -1.121 -16.354 4.473 1.00 0.00 O ATOM 220 CB GLN A 17 -3.125 -14.959 2.234 1.00 0.00 C ATOM 221 CG GLN A 17 -2.439 -15.784 1.143 1.00 0.00 C ATOM 222 CD GLN A 17 -3.434 -16.189 0.055 1.00 0.00 C ATOM 223 OE1 GLN A 17 -4.603 -16.432 0.306 1.00 0.00 O ATOM 224 NE2 GLN A 17 -2.908 -16.249 -1.165 1.00 0.00 N ATOM 0 H GLN A 17 -1.387 -13.102 1.933 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.665 -14.376 4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.914 -15.549 2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.601 -14.085 1.789 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.627 -15.206 0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.993 -16.676 1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.921 -16.033 -1.306 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.491 -16.511 -1.960 1.00 0.00 H new ATOM 233 N ALA A 18 -0.070 -15.588 2.622 1.00 0.00 N ATOM 234 CA ALA A 18 1.018 -16.547 2.707 1.00 0.00 C ATOM 235 C ALA A 18 1.805 -16.305 3.996 1.00 0.00 C ATOM 236 O ALA A 18 2.337 -17.243 4.588 1.00 0.00 O ATOM 237 CB ALA A 18 1.895 -16.436 1.458 1.00 0.00 C ATOM 0 H ALA A 18 -0.011 -14.945 1.832 1.00 0.00 H new ATOM 0 HA ALA A 18 0.631 -17.565 2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.711 -17.155 1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.295 -16.645 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.304 -15.428 1.389 1.00 0.00 H new ATOM 243 N ARG A 19 1.856 -15.042 4.393 1.00 0.00 N ATOM 244 CA ARG A 19 2.570 -14.665 5.601 1.00 0.00 C ATOM 245 C ARG A 19 1.741 -15.016 6.839 1.00 0.00 C ATOM 246 O ARG A 19 2.276 -15.107 7.943 1.00 0.00 O ATOM 247 CB ARG A 19 2.880 -13.167 5.612 1.00 0.00 C ATOM 248 CG ARG A 19 4.134 -12.861 4.790 1.00 0.00 C ATOM 249 CD ARG A 19 4.458 -11.366 4.820 1.00 0.00 C ATOM 250 NE ARG A 19 5.900 -11.165 5.084 1.00 0.00 N ATOM 251 CZ ARG A 19 6.450 -11.183 6.306 1.00 0.00 C ATOM 252 NH1 ARG A 19 5.681 -11.391 7.383 1.00 0.00 N ATOM 253 NH2 ARG A 19 7.768 -10.991 6.450 1.00 0.00 N ATOM 0 H ARG A 19 1.414 -14.266 3.899 1.00 0.00 H new ATOM 0 HA ARG A 19 3.508 -15.219 5.618 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.032 -12.613 5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.022 -12.829 6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.978 -13.428 5.183 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.986 -13.184 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.187 -10.908 3.869 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.867 -10.873 5.591 1.00 0.00 H new ATOM 0 HE ARG A 19 6.514 -11.003 4.286 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.677 -11.536 7.273 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.099 -11.405 8.313 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.353 -10.831 5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.187 -11.005 7.380 1.00 0.00 H new ATOM 267 N LYS A 20 0.449 -15.204 6.613 1.00 0.00 N ATOM 268 CA LYS A 20 -0.458 -15.543 7.696 1.00 0.00 C ATOM 269 C LYS A 20 -0.605 -14.340 8.629 1.00 0.00 C ATOM 270 O LYS A 20 -0.880 -14.500 9.817 1.00 0.00 O ATOM 271 CB LYS A 20 0.006 -16.818 8.404 1.00 0.00 C ATOM 272 CG LYS A 20 -0.651 -18.056 7.791 1.00 0.00 C ATOM 273 CD LYS A 20 0.194 -19.306 8.043 1.00 0.00 C ATOM 274 CE LYS A 20 -0.691 -20.545 8.197 1.00 0.00 C ATOM 275 NZ LYS A 20 0.065 -21.769 7.849 1.00 0.00 N ATOM 0 H LYS A 20 0.009 -15.128 5.696 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.451 -15.766 7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.090 -16.904 8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.239 -16.759 9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.645 -18.193 8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.780 -17.910 6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.889 -19.452 7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.793 -19.169 8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.055 -20.614 9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.566 -20.456 7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.550 -22.600 7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.391 -21.707 6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.887 -21.861 8.480 1.00 0.00 H new ATOM 289 N GLU A 21 -0.415 -13.160 8.055 1.00 0.00 N ATOM 290 CA GLU A 21 -0.522 -11.930 8.821 1.00 0.00 C ATOM 291 C GLU A 21 -1.933 -11.351 8.699 1.00 0.00 C ATOM 292 O GLU A 21 -2.732 -11.452 9.629 1.00 0.00 O ATOM 293 CB GLU A 21 0.529 -10.912 8.373 1.00 0.00 C ATOM 294 CG GLU A 21 1.943 -11.436 8.629 1.00 0.00 C ATOM 295 CD GLU A 21 2.312 -11.318 10.109 1.00 0.00 C ATOM 296 OE1 GLU A 21 2.077 -10.224 10.667 1.00 0.00 O ATOM 297 OE2 GLU A 21 2.821 -12.324 10.649 1.00 0.00 O ATOM 0 H GLU A 21 -0.188 -13.030 7.069 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.333 -12.160 9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.403 -10.697 7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.383 -9.973 8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.011 -12.478 8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.657 -10.875 8.027 1.00 0.00 H new ATOM 304 N LYS A 22 -2.197 -10.757 7.545 1.00 0.00 N ATOM 305 CA LYS A 22 -3.498 -10.162 7.290 1.00 0.00 C ATOM 306 C LYS A 22 -3.422 -9.302 6.027 1.00 0.00 C ATOM 307 O LYS A 22 -2.471 -8.543 5.845 1.00 0.00 O ATOM 308 CB LYS A 22 -3.990 -9.401 8.523 1.00 0.00 C ATOM 309 CG LYS A 22 -5.216 -10.083 9.134 1.00 0.00 C ATOM 310 CD LYS A 22 -6.023 -9.100 9.984 1.00 0.00 C ATOM 311 CE LYS A 22 -6.308 -9.680 11.371 1.00 0.00 C ATOM 312 NZ LYS A 22 -5.495 -8.992 12.398 1.00 0.00 N ATOM 0 H LYS A 22 -1.532 -10.675 6.776 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.241 -10.937 7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.192 -9.347 9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.239 -8.376 8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.846 -10.486 8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.899 -10.926 9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.474 -8.164 10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.963 -8.867 9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.367 -9.573 11.606 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.086 -10.747 11.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.701 -9.398 13.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.485 -9.116 12.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.727 -7.978 12.402 1.00 0.00 H new ATOM 326 N GLU A 23 -4.436 -9.449 5.187 1.00 0.00 N ATOM 327 CA GLU A 23 -4.496 -8.695 3.946 1.00 0.00 C ATOM 328 C GLU A 23 -4.005 -7.263 4.171 1.00 0.00 C ATOM 329 O GLU A 23 -3.990 -6.779 5.301 1.00 0.00 O ATOM 330 CB GLU A 23 -5.911 -8.705 3.366 1.00 0.00 C ATOM 331 CG GLU A 23 -6.146 -9.952 2.512 1.00 0.00 C ATOM 332 CD GLU A 23 -7.538 -10.535 2.763 1.00 0.00 C ATOM 333 OE1 GLU A 23 -7.647 -11.365 3.691 1.00 0.00 O ATOM 334 OE2 GLU A 23 -8.462 -10.137 2.021 1.00 0.00 O ATOM 0 H GLU A 23 -5.223 -10.079 5.341 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.839 -9.174 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.640 -8.672 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.066 -7.811 2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.038 -9.700 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.388 -10.701 2.740 1.00 0.00 H new ATOM 341 N PRO A 24 -3.605 -6.610 3.047 1.00 0.00 N ATOM 342 CA PRO A 24 -3.115 -5.244 3.111 1.00 0.00 C ATOM 343 C PRO A 24 -4.266 -4.257 3.316 1.00 0.00 C ATOM 344 O PRO A 24 -5.365 -4.465 2.805 1.00 0.00 O ATOM 345 CB PRO A 24 -2.376 -5.029 1.800 1.00 0.00 C ATOM 346 CG PRO A 24 -2.872 -6.116 0.859 1.00 0.00 C ATOM 347 CD PRO A 24 -3.608 -7.152 1.692 1.00 0.00 C ATOM 0 HA PRO A 24 -2.452 -5.075 3.960 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.580 -4.038 1.394 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.298 -5.099 1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.534 -5.694 0.103 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.036 -6.574 0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.624 -7.303 1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.108 -8.120 1.652 1.00 0.00 H new ATOM 355 N ASP A 25 -3.974 -3.204 4.065 1.00 0.00 N ATOM 356 CA ASP A 25 -4.971 -2.184 4.344 1.00 0.00 C ATOM 357 C ASP A 25 -4.698 -0.958 3.472 1.00 0.00 C ATOM 358 O ASP A 25 -3.769 -0.197 3.737 1.00 0.00 O ATOM 359 CB ASP A 25 -4.914 -1.745 5.809 1.00 0.00 C ATOM 360 CG ASP A 25 -6.149 -2.102 6.639 1.00 0.00 C ATOM 361 OD1 ASP A 25 -7.060 -2.731 6.060 1.00 0.00 O ATOM 362 OD2 ASP A 25 -6.154 -1.736 7.834 1.00 0.00 O ATOM 0 H ASP A 25 -3.061 -3.035 4.487 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.954 -2.605 4.132 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.039 -2.198 6.275 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.771 -0.665 5.844 1.00 0.00 H new ATOM 367 N TYR A 26 -5.525 -0.803 2.448 1.00 0.00 N ATOM 368 CA TYR A 26 -5.385 0.318 1.535 1.00 0.00 C ATOM 369 C TYR A 26 -6.164 1.535 2.037 1.00 0.00 C ATOM 370 O TYR A 26 -7.282 1.400 2.531 1.00 0.00 O ATOM 371 CB TYR A 26 -5.984 -0.143 0.205 1.00 0.00 C ATOM 372 CG TYR A 26 -5.145 -1.194 -0.525 1.00 0.00 C ATOM 373 CD1 TYR A 26 -4.114 -0.800 -1.353 1.00 0.00 C ATOM 374 CD2 TYR A 26 -5.419 -2.536 -0.355 1.00 0.00 C ATOM 375 CE1 TYR A 26 -3.325 -1.788 -2.040 1.00 0.00 C ATOM 376 CE2 TYR A 26 -4.630 -3.525 -1.042 1.00 0.00 C ATOM 377 CZ TYR A 26 -3.621 -3.102 -1.851 1.00 0.00 C ATOM 378 OH TYR A 26 -2.875 -4.036 -2.500 1.00 0.00 O ATOM 0 H TYR A 26 -6.295 -1.436 2.231 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.339 0.609 1.443 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.978 -0.550 0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.109 0.723 -0.445 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.899 0.250 -1.486 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.226 -2.844 0.294 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.516 -1.493 -2.691 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.834 -4.578 -0.918 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.199 -4.932 -2.269 1.00 0.00 H new ATOM 388 N ILE A 27 -5.542 2.696 1.894 1.00 0.00 N ATOM 389 CA ILE A 27 -6.163 3.936 2.327 1.00 0.00 C ATOM 390 C ILE A 27 -5.969 5.003 1.248 1.00 0.00 C ATOM 391 O ILE A 27 -4.863 5.184 0.741 1.00 0.00 O ATOM 392 CB ILE A 27 -5.634 4.349 3.702 1.00 0.00 C ATOM 393 CG1 ILE A 27 -5.483 3.134 4.619 1.00 0.00 C ATOM 394 CG2 ILE A 27 -6.515 5.432 4.326 1.00 0.00 C ATOM 395 CD1 ILE A 27 -4.050 2.598 4.589 1.00 0.00 C ATOM 0 H ILE A 27 -4.614 2.804 1.484 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.237 3.800 2.452 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.641 4.779 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.751 3.409 5.639 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.174 2.351 4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.117 5.707 5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.527 6.309 3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.530 5.053 4.442 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.971 1.735 5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.794 2.302 3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.364 3.376 4.924 1.00 0.00 H new ATOM 407 N LEU A 28 -7.061 5.681 0.928 1.00 0.00 N ATOM 408 CA LEU A 28 -7.025 6.725 -0.082 1.00 0.00 C ATOM 409 C LEU A 28 -6.464 8.007 0.536 1.00 0.00 C ATOM 410 O LEU A 28 -7.034 8.545 1.484 1.00 0.00 O ATOM 411 CB LEU A 28 -8.405 6.902 -0.719 1.00 0.00 C ATOM 412 CG LEU A 28 -8.468 7.832 -1.933 1.00 0.00 C ATOM 413 CD1 LEU A 28 -7.992 7.115 -3.198 1.00 0.00 C ATOM 414 CD2 LEU A 28 -9.871 8.419 -2.101 1.00 0.00 C ATOM 0 H LEU A 28 -7.977 5.528 1.350 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.357 6.444 -0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.774 5.921 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.088 7.282 0.041 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.788 8.666 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.047 7.798 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.962 6.785 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.628 6.250 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.889 9.076 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.589 7.611 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.136 8.989 -1.210 1.00 0.00 H new ATOM 426 N LEU A 29 -5.353 8.460 -0.027 1.00 0.00 N ATOM 427 CA LEU A 29 -4.708 9.669 0.457 1.00 0.00 C ATOM 428 C LEU A 29 -5.492 10.890 -0.031 1.00 0.00 C ATOM 429 O LEU A 29 -5.953 11.698 0.774 1.00 0.00 O ATOM 430 CB LEU A 29 -3.232 9.686 0.057 1.00 0.00 C ATOM 431 CG LEU A 29 -2.310 8.762 0.856 1.00 0.00 C ATOM 432 CD1 LEU A 29 -0.840 9.080 0.577 1.00 0.00 C ATOM 433 CD2 LEU A 29 -2.636 8.821 2.350 1.00 0.00 C ATOM 0 H LEU A 29 -4.883 8.012 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.719 9.697 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.158 9.417 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.862 10.707 0.152 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.485 7.737 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.206 8.409 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.634 8.946 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.631 10.112 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.967 8.155 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.506 9.841 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.668 8.508 2.510 1.00 0.00 H new ATOM 445 N SER A 30 -5.617 10.985 -1.346 1.00 0.00 N ATOM 446 CA SER A 30 -6.336 12.094 -1.951 1.00 0.00 C ATOM 447 C SER A 30 -6.511 11.848 -3.451 1.00 0.00 C ATOM 448 O SER A 30 -6.174 10.776 -3.951 1.00 0.00 O ATOM 449 CB SER A 30 -5.609 13.419 -1.711 1.00 0.00 C ATOM 450 OG SER A 30 -6.069 14.075 -0.533 1.00 0.00 O ATOM 0 H SER A 30 -5.233 10.313 -2.010 1.00 0.00 H new ATOM 0 HA SER A 30 -7.318 12.160 -1.483 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.538 13.235 -1.628 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.755 14.073 -2.571 1.00 0.00 H new ATOM 0 HG SER A 30 -6.127 13.428 0.200 1.00 0.00 H new ATOM 456 N GLU A 31 -7.038 12.859 -4.126 1.00 0.00 N ATOM 457 CA GLU A 31 -7.262 12.766 -5.559 1.00 0.00 C ATOM 458 C GLU A 31 -7.165 14.151 -6.202 1.00 0.00 C ATOM 459 O GLU A 31 -8.071 14.970 -6.061 1.00 0.00 O ATOM 460 CB GLU A 31 -8.612 12.115 -5.862 1.00 0.00 C ATOM 461 CG GLU A 31 -9.756 12.896 -5.213 1.00 0.00 C ATOM 462 CD GLU A 31 -10.492 12.037 -4.182 1.00 0.00 C ATOM 463 OE1 GLU A 31 -10.519 10.804 -4.386 1.00 0.00 O ATOM 464 OE2 GLU A 31 -11.011 12.633 -3.213 1.00 0.00 O ATOM 0 H GLU A 31 -7.316 13.747 -3.707 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.486 12.132 -5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.764 12.070 -6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.615 11.088 -5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.362 13.791 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.455 13.228 -5.980 1.00 0.00 H new ATOM 605 N GLU A 39 -4.781 12.648 -10.802 1.00 0.00 N ATOM 606 CA GLU A 39 -3.863 11.780 -10.084 1.00 0.00 C ATOM 607 C GLU A 39 -4.450 11.393 -8.726 1.00 0.00 C ATOM 608 O GLU A 39 -4.700 12.256 -7.885 1.00 0.00 O ATOM 609 CB GLU A 39 -2.494 12.444 -9.921 1.00 0.00 C ATOM 610 CG GLU A 39 -1.402 11.400 -9.682 1.00 0.00 C ATOM 611 CD GLU A 39 -0.468 11.296 -10.889 1.00 0.00 C ATOM 612 OE1 GLU A 39 -0.777 10.472 -11.777 1.00 0.00 O ATOM 613 OE2 GLU A 39 0.534 12.043 -10.897 1.00 0.00 O ATOM 0 HA GLU A 39 -3.722 10.871 -10.669 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.259 13.024 -10.814 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.522 13.143 -9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.827 11.667 -8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.858 10.430 -9.486 1.00 0.00 H new ATOM 620 N PHE A 40 -4.654 10.096 -8.552 1.00 0.00 N ATOM 621 CA PHE A 40 -5.207 9.585 -7.310 1.00 0.00 C ATOM 622 C PHE A 40 -4.109 8.995 -6.422 1.00 0.00 C ATOM 623 O PHE A 40 -3.357 8.123 -6.855 1.00 0.00 O ATOM 624 CB PHE A 40 -6.195 8.477 -7.682 1.00 0.00 C ATOM 625 CG PHE A 40 -7.545 8.991 -8.186 1.00 0.00 C ATOM 626 CD1 PHE A 40 -8.551 9.239 -7.305 1.00 0.00 C ATOM 627 CD2 PHE A 40 -7.739 9.200 -9.516 1.00 0.00 C ATOM 628 CE1 PHE A 40 -9.803 9.716 -7.773 1.00 0.00 C ATOM 629 CE2 PHE A 40 -8.992 9.677 -9.984 1.00 0.00 C ATOM 630 CZ PHE A 40 -9.998 9.925 -9.103 1.00 0.00 C ATOM 0 H PHE A 40 -4.446 9.383 -9.251 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.689 10.392 -6.758 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.747 7.848 -8.451 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.361 7.845 -6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.397 9.073 -6.249 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.940 9.003 -10.216 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.601 9.913 -7.073 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.146 9.843 -11.040 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.951 10.288 -9.459 1.00 0.00 H new ATOM 640 N VAL A 41 -4.052 9.495 -5.196 1.00 0.00 N ATOM 641 CA VAL A 41 -3.058 9.028 -4.244 1.00 0.00 C ATOM 642 C VAL A 41 -3.636 7.860 -3.442 1.00 0.00 C ATOM 643 O VAL A 41 -4.731 7.961 -2.892 1.00 0.00 O ATOM 644 CB VAL A 41 -2.595 10.188 -3.360 1.00 0.00 C ATOM 645 CG1 VAL A 41 -1.369 9.793 -2.535 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.313 11.437 -4.199 1.00 0.00 C ATOM 0 H VAL A 41 -4.677 10.218 -4.840 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.174 8.660 -4.764 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.402 10.425 -2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.060 10.635 -1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.618 8.945 -1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.554 9.517 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.986 12.247 -3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.531 11.218 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.221 11.737 -4.722 1.00 0.00 H new ATOM 656 N MET A 42 -2.873 6.777 -3.402 1.00 0.00 N ATOM 657 CA MET A 42 -3.295 5.591 -2.677 1.00 0.00 C ATOM 658 C MET A 42 -2.236 5.165 -1.658 1.00 0.00 C ATOM 659 O MET A 42 -1.041 5.351 -1.885 1.00 0.00 O ATOM 660 CB MET A 42 -3.541 4.449 -3.665 1.00 0.00 C ATOM 661 CG MET A 42 -4.745 3.606 -3.239 1.00 0.00 C ATOM 662 SD MET A 42 -6.215 4.618 -3.197 1.00 0.00 S ATOM 663 CE MET A 42 -7.453 3.357 -2.946 1.00 0.00 C ATOM 0 H MET A 42 -1.965 6.696 -3.860 1.00 0.00 H new ATOM 0 HA MET A 42 -4.215 5.824 -2.141 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.712 4.856 -4.662 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.654 3.818 -3.726 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.884 2.778 -3.934 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.565 3.171 -2.256 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.439 3.820 -2.896 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.426 2.650 -3.775 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.252 2.830 -2.013 1.00 0.00 H new ATOM 673 N GLN A 43 -2.712 4.602 -0.557 1.00 0.00 N ATOM 674 CA GLN A 43 -1.821 4.148 0.497 1.00 0.00 C ATOM 675 C GLN A 43 -2.084 2.676 0.818 1.00 0.00 C ATOM 676 O GLN A 43 -3.184 2.174 0.589 1.00 0.00 O ATOM 677 CB GLN A 43 -1.965 5.017 1.748 1.00 0.00 C ATOM 678 CG GLN A 43 -0.696 4.964 2.601 1.00 0.00 C ATOM 679 CD GLN A 43 -0.759 5.982 3.742 1.00 0.00 C ATOM 680 OE1 GLN A 43 0.033 6.906 3.829 1.00 0.00 O ATOM 681 NE2 GLN A 43 -1.744 5.763 4.608 1.00 0.00 N ATOM 0 H GLN A 43 -3.704 4.450 -0.372 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.794 4.244 0.144 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.170 6.048 1.458 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.817 4.676 2.336 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.570 3.961 3.010 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.175 5.165 1.977 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.372 4.970 4.476 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.871 6.388 5.404 1.00 0.00 H new ATOM 690 N VAL A 44 -1.057 2.025 1.343 1.00 0.00 N ATOM 691 CA VAL A 44 -1.164 0.619 1.698 1.00 0.00 C ATOM 692 C VAL A 44 -0.419 0.371 3.011 1.00 0.00 C ATOM 693 O VAL A 44 0.726 0.792 3.168 1.00 0.00 O ATOM 694 CB VAL A 44 -0.654 -0.251 0.547 1.00 0.00 C ATOM 695 CG1 VAL A 44 0.859 -0.104 0.378 1.00 0.00 C ATOM 696 CG2 VAL A 44 -1.043 -1.716 0.754 1.00 0.00 C ATOM 0 H VAL A 44 -0.147 2.444 1.531 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.206 0.343 1.859 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.129 0.095 -0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.196 -0.733 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.102 0.937 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.359 -0.411 1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.669 -2.313 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.609 -2.079 1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.129 -1.801 0.802 1.00 0.00 H new ATOM 706 N LYS A 45 -1.100 -0.311 3.920 1.00 0.00 N ATOM 707 CA LYS A 45 -0.516 -0.620 5.215 1.00 0.00 C ATOM 708 C LYS A 45 -0.496 -2.137 5.411 1.00 0.00 C ATOM 709 O LYS A 45 -1.526 -2.797 5.281 1.00 0.00 O ATOM 710 CB LYS A 45 -1.249 0.134 6.326 1.00 0.00 C ATOM 711 CG LYS A 45 -0.296 0.487 7.470 1.00 0.00 C ATOM 712 CD LYS A 45 -1.034 1.216 8.594 1.00 0.00 C ATOM 713 CE LYS A 45 -0.311 2.508 8.977 1.00 0.00 C ATOM 714 NZ LYS A 45 -0.942 3.122 10.167 1.00 0.00 N ATOM 0 H LYS A 45 -2.050 -0.658 3.786 1.00 0.00 H new ATOM 0 HA LYS A 45 0.518 -0.279 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.691 1.045 5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.068 -0.477 6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.161 -0.422 7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.512 1.114 7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.052 1.445 8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.110 0.566 9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.738 2.297 9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.338 3.208 8.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.439 3.998 10.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.937 3.341 9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.894 2.459 10.967 1.00 0.00 H new ATOM 728 N VAL A 46 0.687 -2.646 5.721 1.00 0.00 N ATOM 729 CA VAL A 46 0.855 -4.073 5.936 1.00 0.00 C ATOM 730 C VAL A 46 1.705 -4.299 7.188 1.00 0.00 C ATOM 731 O VAL A 46 2.905 -4.028 7.186 1.00 0.00 O ATOM 732 CB VAL A 46 1.448 -4.725 4.685 1.00 0.00 C ATOM 733 CG1 VAL A 46 2.016 -6.109 5.005 1.00 0.00 C ATOM 734 CG2 VAL A 46 0.410 -4.804 3.564 1.00 0.00 C ATOM 0 H VAL A 46 1.539 -2.095 5.828 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.110 -4.549 6.108 1.00 0.00 H new ATOM 0 HB VAL A 46 2.269 -4.098 4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.431 -6.550 4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.801 -6.016 5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.221 -6.749 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.857 -5.271 2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.441 -5.398 3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.074 -3.799 3.308 1.00 0.00 H new ATOM 744 N GLY A 47 1.050 -4.794 8.228 1.00 0.00 N ATOM 745 CA GLY A 47 1.731 -5.060 9.484 1.00 0.00 C ATOM 746 C GLY A 47 2.262 -3.766 10.104 1.00 0.00 C ATOM 747 O GLY A 47 1.528 -3.053 10.787 1.00 0.00 O ATOM 0 H GLY A 47 0.055 -5.018 8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.045 -5.545 10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.556 -5.752 9.315 1.00 0.00 H new ATOM 751 N ASN A 48 3.534 -3.501 9.844 1.00 0.00 N ATOM 752 CA ASN A 48 4.172 -2.306 10.368 1.00 0.00 C ATOM 753 C ASN A 48 4.755 -1.494 9.209 1.00 0.00 C ATOM 754 O ASN A 48 5.352 -0.441 9.423 1.00 0.00 O ATOM 755 CB ASN A 48 5.317 -2.664 11.317 1.00 0.00 C ATOM 756 CG ASN A 48 5.185 -1.912 12.643 1.00 0.00 C ATOM 757 OD1 ASN A 48 4.628 -2.403 13.611 1.00 0.00 O ATOM 758 ND2 ASN A 48 5.728 -0.698 12.633 1.00 0.00 N ATOM 0 H ASN A 48 4.140 -4.094 9.277 1.00 0.00 H new ATOM 0 HA ASN A 48 3.420 -1.733 10.910 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.318 -3.738 11.502 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.271 -2.420 10.850 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.693 -0.117 13.471 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.179 -0.348 11.788 1.00 0.00 H new ATOM 765 N GLU A 49 4.560 -2.016 8.006 1.00 0.00 N ATOM 766 CA GLU A 49 5.059 -1.353 6.813 1.00 0.00 C ATOM 767 C GLU A 49 3.926 -0.599 6.113 1.00 0.00 C ATOM 768 O GLU A 49 2.755 -0.930 6.287 1.00 0.00 O ATOM 769 CB GLU A 49 5.719 -2.355 5.865 1.00 0.00 C ATOM 770 CG GLU A 49 7.198 -2.544 6.210 1.00 0.00 C ATOM 771 CD GLU A 49 7.393 -3.723 7.164 1.00 0.00 C ATOM 772 OE1 GLU A 49 6.627 -3.788 8.150 1.00 0.00 O ATOM 773 OE2 GLU A 49 8.303 -4.534 6.887 1.00 0.00 O ATOM 0 H GLU A 49 4.064 -2.890 7.832 1.00 0.00 H new ATOM 0 HA GLU A 49 5.819 -0.631 7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.202 -3.313 5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.623 -2.006 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.769 -2.712 5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.588 -1.634 6.667 1.00 0.00 H new ATOM 780 N VAL A 50 4.317 0.399 5.334 1.00 0.00 N ATOM 781 CA VAL A 50 3.349 1.203 4.606 1.00 0.00 C ATOM 782 C VAL A 50 3.937 1.597 3.250 1.00 0.00 C ATOM 783 O VAL A 50 5.156 1.672 3.096 1.00 0.00 O ATOM 784 CB VAL A 50 2.930 2.408 5.449 1.00 0.00 C ATOM 785 CG1 VAL A 50 3.693 3.665 5.027 1.00 0.00 C ATOM 786 CG2 VAL A 50 1.418 2.633 5.372 1.00 0.00 C ATOM 0 H VAL A 50 5.290 0.669 5.191 1.00 0.00 H new ATOM 0 HA VAL A 50 2.443 0.628 4.413 1.00 0.00 H new ATOM 0 HB VAL A 50 3.184 2.194 6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.376 4.507 5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.763 3.502 5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.485 3.883 3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.147 3.496 5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.129 2.814 4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.899 1.749 5.744 1.00 0.00 H new ATOM 796 N ALA A 51 3.045 1.839 2.301 1.00 0.00 N ATOM 797 CA ALA A 51 3.460 2.224 0.963 1.00 0.00 C ATOM 798 C ALA A 51 2.386 3.116 0.337 1.00 0.00 C ATOM 799 O ALA A 51 1.299 3.267 0.892 1.00 0.00 O ATOM 800 CB ALA A 51 3.734 0.969 0.132 1.00 0.00 C ATOM 0 H ALA A 51 2.035 1.776 2.432 1.00 0.00 H new ATOM 0 HA ALA A 51 4.385 2.799 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.045 1.258 -0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.525 0.386 0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.827 0.368 0.071 1.00 0.00 H new ATOM 806 N THR A 52 2.728 3.683 -0.811 1.00 0.00 N ATOM 807 CA THR A 52 1.807 4.555 -1.518 1.00 0.00 C ATOM 808 C THR A 52 1.891 4.309 -3.026 1.00 0.00 C ATOM 809 O THR A 52 2.878 3.761 -3.515 1.00 0.00 O ATOM 810 CB THR A 52 2.121 5.998 -1.120 1.00 0.00 C ATOM 811 OG1 THR A 52 3.543 6.033 -1.035 1.00 0.00 O ATOM 812 CG2 THR A 52 1.655 6.328 0.300 1.00 0.00 C ATOM 0 H THR A 52 3.631 3.555 -1.269 1.00 0.00 H new ATOM 0 HA THR A 52 0.774 4.345 -1.243 1.00 0.00 H new ATOM 0 HB THR A 52 1.647 6.680 -1.826 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.834 6.934 -0.783 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.902 7.364 0.532 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.576 6.187 0.371 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.154 5.668 1.009 1.00 0.00 H new ATOM 820 N GLY A 53 0.843 4.726 -3.721 1.00 0.00 N ATOM 821 CA GLY A 53 0.786 4.558 -5.163 1.00 0.00 C ATOM 822 C GLY A 53 -0.009 5.690 -5.816 1.00 0.00 C ATOM 823 O GLY A 53 -0.959 6.206 -5.229 1.00 0.00 O ATOM 0 H GLY A 53 0.026 5.180 -3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.797 4.537 -5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.325 3.600 -5.403 1.00 0.00 H new ATOM 827 N THR A 54 0.408 6.044 -7.023 1.00 0.00 N ATOM 828 CA THR A 54 -0.253 7.106 -7.762 1.00 0.00 C ATOM 829 C THR A 54 -0.430 6.705 -9.228 1.00 0.00 C ATOM 830 O THR A 54 0.394 5.976 -9.780 1.00 0.00 O ATOM 831 CB THR A 54 0.560 8.389 -7.577 1.00 0.00 C ATOM 832 OG1 THR A 54 1.895 8.003 -7.893 1.00 0.00 O ATOM 833 CG2 THR A 54 0.636 8.827 -6.113 1.00 0.00 C ATOM 0 H THR A 54 1.196 5.614 -7.508 1.00 0.00 H new ATOM 0 HA THR A 54 -1.259 7.285 -7.382 1.00 0.00 H new ATOM 0 HB THR A 54 0.118 9.188 -8.173 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.490 8.776 -7.801 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.224 9.742 -6.037 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.370 9.010 -5.735 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.108 8.042 -5.522 1.00 0.00 H new ATOM 841 N GLY A 55 -1.509 7.199 -9.817 1.00 0.00 N ATOM 842 CA GLY A 55 -1.804 6.901 -11.209 1.00 0.00 C ATOM 843 C GLY A 55 -2.919 7.805 -11.738 1.00 0.00 C ATOM 844 O GLY A 55 -3.292 8.782 -11.090 1.00 0.00 O ATOM 0 H GLY A 55 -2.190 7.803 -9.356 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.906 7.035 -11.812 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.101 5.857 -11.306 1.00 0.00 H new ATOM 848 N PRO A 56 -3.434 7.437 -12.942 1.00 0.00 N ATOM 849 CA PRO A 56 -4.500 8.204 -13.565 1.00 0.00 C ATOM 850 C PRO A 56 -5.839 7.944 -12.874 1.00 0.00 C ATOM 851 O PRO A 56 -6.768 8.741 -12.992 1.00 0.00 O ATOM 852 CB PRO A 56 -4.491 7.775 -15.024 1.00 0.00 C ATOM 853 CG PRO A 56 -3.739 6.454 -15.065 1.00 0.00 C ATOM 854 CD PRO A 56 -3.018 6.287 -13.738 1.00 0.00 C ATOM 0 HA PRO A 56 -4.350 9.280 -13.478 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.506 7.658 -15.403 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.002 8.523 -15.648 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.429 5.627 -15.231 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.027 6.446 -15.890 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.293 5.350 -13.253 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.937 6.270 -13.874 1.00 0.00 H new ATOM 862 N ASN A 57 -5.897 6.825 -12.167 1.00 0.00 N ATOM 863 CA ASN A 57 -7.107 6.449 -11.456 1.00 0.00 C ATOM 864 C ASN A 57 -6.731 5.686 -10.185 1.00 0.00 C ATOM 865 O ASN A 57 -5.626 5.157 -10.078 1.00 0.00 O ATOM 866 CB ASN A 57 -7.988 5.537 -12.312 1.00 0.00 C ATOM 867 CG ASN A 57 -7.181 4.902 -13.446 1.00 0.00 C ATOM 868 OD1 ASN A 57 -6.589 5.574 -14.274 1.00 0.00 O ATOM 869 ND2 ASN A 57 -7.190 3.572 -13.437 1.00 0.00 N ATOM 0 H ASN A 57 -5.125 6.166 -12.071 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.655 7.361 -11.219 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.423 4.756 -11.688 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.816 6.111 -12.727 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.680 3.054 -14.153 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.706 3.070 -12.714 1.00 0.00 H new ATOM 876 N LYS A 58 -7.672 5.654 -9.252 1.00 0.00 N ATOM 877 CA LYS A 58 -7.453 4.965 -7.992 1.00 0.00 C ATOM 878 C LYS A 58 -6.930 3.555 -8.271 1.00 0.00 C ATOM 879 O LYS A 58 -5.911 3.146 -7.718 1.00 0.00 O ATOM 880 CB LYS A 58 -8.723 4.992 -7.139 1.00 0.00 C ATOM 881 CG LYS A 58 -8.728 6.201 -6.201 1.00 0.00 C ATOM 882 CD LYS A 58 -10.157 6.657 -5.901 1.00 0.00 C ATOM 883 CE LYS A 58 -10.814 5.751 -4.857 1.00 0.00 C ATOM 884 NZ LYS A 58 -12.051 5.146 -5.401 1.00 0.00 N ATOM 0 H LYS A 58 -8.588 6.094 -9.344 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.691 5.478 -7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.599 5.026 -7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.793 4.074 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.221 5.946 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.169 7.020 -6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.146 7.685 -5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.746 6.647 -6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.119 4.966 -4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.047 6.327 -3.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.484 4.534 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.719 5.899 -5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.820 4.580 -6.242 1.00 0.00 H new ATOM 898 N LYS A 59 -7.652 2.849 -9.130 1.00 0.00 N ATOM 899 CA LYS A 59 -7.273 1.493 -9.489 1.00 0.00 C ATOM 900 C LYS A 59 -5.754 1.419 -9.651 1.00 0.00 C ATOM 901 O LYS A 59 -5.068 0.813 -8.829 1.00 0.00 O ATOM 902 CB LYS A 59 -8.046 1.031 -10.726 1.00 0.00 C ATOM 903 CG LYS A 59 -9.252 0.175 -10.331 1.00 0.00 C ATOM 904 CD LYS A 59 -10.094 -0.185 -11.557 1.00 0.00 C ATOM 905 CE LYS A 59 -11.374 0.651 -11.607 1.00 0.00 C ATOM 906 NZ LYS A 59 -12.561 -0.207 -11.391 1.00 0.00 N ATOM 0 H LYS A 59 -8.497 3.191 -9.587 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.544 0.798 -8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.382 1.898 -11.294 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.387 0.458 -11.378 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.911 -0.736 -9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.865 0.715 -9.610 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.512 -0.020 -12.464 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.348 -1.245 -11.530 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.337 1.430 -10.845 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.451 1.152 -12.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.422 0.376 -11.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.603 -0.934 -12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.493 -0.666 -10.460 1.00 0.00 H new ATOM 920 N ILE A 60 -5.272 2.043 -10.716 1.00 0.00 N ATOM 921 CA ILE A 60 -3.847 2.055 -10.996 1.00 0.00 C ATOM 922 C ILE A 60 -3.093 2.551 -9.760 1.00 0.00 C ATOM 923 O ILE A 60 -2.047 2.008 -9.407 1.00 0.00 O ATOM 924 CB ILE A 60 -3.555 2.865 -12.260 1.00 0.00 C ATOM 925 CG1 ILE A 60 -4.207 2.222 -13.486 1.00 0.00 C ATOM 926 CG2 ILE A 60 -2.050 3.064 -12.449 1.00 0.00 C ATOM 927 CD1 ILE A 60 -4.047 3.111 -14.721 1.00 0.00 C ATOM 0 H ILE A 60 -5.844 2.544 -11.396 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.492 1.046 -11.204 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.998 3.854 -12.141 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.755 1.248 -13.674 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.266 2.050 -13.292 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.870 3.643 -13.355 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.643 3.598 -11.590 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.563 2.093 -12.537 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.519 2.631 -15.578 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.521 4.076 -14.539 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.987 3.260 -14.927 1.00 0.00 H new ATOM 939 N ALA A 61 -3.654 3.576 -9.136 1.00 0.00 N ATOM 940 CA ALA A 61 -3.048 4.151 -7.947 1.00 0.00 C ATOM 941 C ALA A 61 -2.764 3.039 -6.936 1.00 0.00 C ATOM 942 O ALA A 61 -1.620 2.841 -6.530 1.00 0.00 O ATOM 943 CB ALA A 61 -3.966 5.236 -7.380 1.00 0.00 C ATOM 0 H ALA A 61 -4.522 4.023 -9.431 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.097 4.624 -8.191 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.512 5.667 -6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.111 6.016 -8.127 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.930 4.798 -7.121 1.00 0.00 H new ATOM 949 N LYS A 62 -3.826 2.342 -6.558 1.00 0.00 N ATOM 950 CA LYS A 62 -3.706 1.255 -5.601 1.00 0.00 C ATOM 951 C LYS A 62 -2.641 0.270 -6.087 1.00 0.00 C ATOM 952 O LYS A 62 -1.737 -0.093 -5.335 1.00 0.00 O ATOM 953 CB LYS A 62 -5.071 0.611 -5.348 1.00 0.00 C ATOM 954 CG LYS A 62 -5.070 -0.177 -4.036 1.00 0.00 C ATOM 955 CD LYS A 62 -5.410 -1.648 -4.281 1.00 0.00 C ATOM 956 CE LYS A 62 -6.865 -1.807 -4.729 1.00 0.00 C ATOM 957 NZ LYS A 62 -7.677 -2.410 -3.648 1.00 0.00 N ATOM 0 H LYS A 62 -4.773 2.509 -6.897 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.374 1.633 -4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.840 1.382 -5.313 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.323 -0.053 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.091 -0.100 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.793 0.257 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.745 -2.057 -5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.242 -2.221 -3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.276 -0.835 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.911 -2.434 -5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.661 -2.511 -3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.294 -3.346 -3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.647 -1.797 -2.808 1.00 0.00 H new ATOM 971 N LYS A 63 -2.784 -0.136 -7.340 1.00 0.00 N ATOM 972 CA LYS A 63 -1.845 -1.072 -7.935 1.00 0.00 C ATOM 973 C LYS A 63 -0.416 -0.600 -7.660 1.00 0.00 C ATOM 974 O LYS A 63 0.449 -1.401 -7.310 1.00 0.00 O ATOM 975 CB LYS A 63 -2.153 -1.268 -9.421 1.00 0.00 C ATOM 976 CG LYS A 63 -3.130 -2.428 -9.630 1.00 0.00 C ATOM 977 CD LYS A 63 -4.003 -2.193 -10.864 1.00 0.00 C ATOM 978 CE LYS A 63 -5.360 -1.605 -10.472 1.00 0.00 C ATOM 979 NZ LYS A 63 -6.459 -2.472 -10.952 1.00 0.00 N ATOM 0 H LYS A 63 -3.536 0.166 -7.960 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.948 -2.057 -7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.577 -0.352 -9.832 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.229 -1.464 -9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.575 -3.359 -9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.762 -2.539 -8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.494 -1.516 -11.550 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.150 -3.134 -11.394 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.418 -1.500 -9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.466 -0.606 -10.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.373 -2.058 -10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.412 -2.551 -11.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.366 -3.417 -10.528 1.00 0.00 H new ATOM 993 N ASN A 64 -0.214 0.699 -7.828 1.00 0.00 N ATOM 994 CA ASN A 64 1.095 1.287 -7.602 1.00 0.00 C ATOM 995 C ASN A 64 1.435 1.209 -6.112 1.00 0.00 C ATOM 996 O ASN A 64 2.598 1.050 -5.744 1.00 0.00 O ATOM 997 CB ASN A 64 1.116 2.760 -8.015 1.00 0.00 C ATOM 998 CG ASN A 64 1.565 2.916 -9.470 1.00 0.00 C ATOM 999 OD1 ASN A 64 2.700 3.253 -9.763 1.00 0.00 O ATOM 1000 ND2 ASN A 64 0.614 2.652 -10.361 1.00 0.00 N ATOM 0 H ASN A 64 -0.935 1.360 -8.118 1.00 0.00 H new ATOM 0 HA ASN A 64 1.820 0.734 -8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.123 3.191 -7.889 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.789 3.315 -7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.815 2.727 -11.358 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.316 2.375 -10.047 1.00 0.00 H new ATOM 1007 N ALA A 65 0.398 1.326 -5.295 1.00 0.00 N ATOM 1008 CA ALA A 65 0.572 1.271 -3.854 1.00 0.00 C ATOM 1009 C ALA A 65 1.169 -0.084 -3.468 1.00 0.00 C ATOM 1010 O ALA A 65 2.210 -0.145 -2.816 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.770 1.534 -3.167 1.00 0.00 C ATOM 0 H ALA A 65 -0.565 1.459 -5.604 1.00 0.00 H new ATOM 0 HA ALA A 65 1.265 2.044 -3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.639 1.493 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.137 2.520 -3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.491 0.776 -3.475 1.00 0.00 H new ATOM 1017 N ALA A 66 0.483 -1.138 -3.887 1.00 0.00 N ATOM 1018 CA ALA A 66 0.932 -2.488 -3.593 1.00 0.00 C ATOM 1019 C ALA A 66 2.376 -2.656 -4.072 1.00 0.00 C ATOM 1020 O ALA A 66 3.195 -3.263 -3.384 1.00 0.00 O ATOM 1021 CB ALA A 66 -0.019 -3.495 -4.242 1.00 0.00 C ATOM 0 H ALA A 66 -0.380 -1.084 -4.428 1.00 0.00 H new ATOM 0 HA ALA A 66 0.918 -2.672 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.318 -4.508 -4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.025 -3.353 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.029 -3.343 -5.321 1.00 0.00 H new ATOM 1027 N GLU A 67 2.643 -2.108 -5.248 1.00 0.00 N ATOM 1028 CA GLU A 67 3.973 -2.190 -5.827 1.00 0.00 C ATOM 1029 C GLU A 67 5.012 -1.635 -4.851 1.00 0.00 C ATOM 1030 O GLU A 67 5.900 -2.360 -4.406 1.00 0.00 O ATOM 1031 CB GLU A 67 4.033 -1.455 -7.168 1.00 0.00 C ATOM 1032 CG GLU A 67 5.013 -2.139 -8.124 1.00 0.00 C ATOM 1033 CD GLU A 67 4.967 -1.493 -9.510 1.00 0.00 C ATOM 1034 OE1 GLU A 67 3.840 -1.347 -10.030 1.00 0.00 O ATOM 1035 OE2 GLU A 67 6.059 -1.161 -10.019 1.00 0.00 O ATOM 0 H GLU A 67 1.961 -1.605 -5.816 1.00 0.00 H new ATOM 0 HA GLU A 67 4.203 -3.239 -6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.040 -1.428 -7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.338 -0.421 -7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.024 -2.074 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.769 -3.198 -8.204 1.00 0.00 H new ATOM 1042 N ALA A 68 4.866 -0.354 -4.545 1.00 0.00 N ATOM 1043 CA ALA A 68 5.780 0.306 -3.630 1.00 0.00 C ATOM 1044 C ALA A 68 6.026 -0.599 -2.421 1.00 0.00 C ATOM 1045 O ALA A 68 7.169 -0.798 -2.012 1.00 0.00 O ATOM 1046 CB ALA A 68 5.210 1.669 -3.232 1.00 0.00 C ATOM 0 H ALA A 68 4.128 0.244 -4.915 1.00 0.00 H new ATOM 0 HA ALA A 68 6.742 0.484 -4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.897 2.164 -2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.082 2.284 -4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.245 1.531 -2.744 1.00 0.00 H new ATOM 1052 N MET A 69 4.935 -1.123 -1.882 1.00 0.00 N ATOM 1053 CA MET A 69 5.018 -2.002 -0.728 1.00 0.00 C ATOM 1054 C MET A 69 5.936 -3.193 -1.011 1.00 0.00 C ATOM 1055 O MET A 69 6.869 -3.455 -0.254 1.00 0.00 O ATOM 1056 CB MET A 69 3.619 -2.508 -0.370 1.00 0.00 C ATOM 1057 CG MET A 69 3.695 -3.821 0.413 1.00 0.00 C ATOM 1058 SD MET A 69 2.543 -3.786 1.775 1.00 0.00 S ATOM 1059 CE MET A 69 3.168 -2.376 2.674 1.00 0.00 C ATOM 0 H MET A 69 3.988 -0.956 -2.223 1.00 0.00 H new ATOM 0 HA MET A 69 5.434 -1.437 0.107 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.097 -1.757 0.223 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.038 -2.656 -1.280 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.468 -4.660 -0.245 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.708 -3.973 0.786 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.656 -2.714 3.588 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.888 -1.840 2.055 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.342 -1.712 2.928 1.00 0.00 H new ATOM 1069 N LEU A 70 5.638 -3.882 -2.102 1.00 0.00 N ATOM 1070 CA LEU A 70 6.425 -5.039 -2.495 1.00 0.00 C ATOM 1071 C LEU A 70 7.845 -4.590 -2.845 1.00 0.00 C ATOM 1072 O LEU A 70 8.806 -5.322 -2.614 1.00 0.00 O ATOM 1073 CB LEU A 70 5.727 -5.805 -3.620 1.00 0.00 C ATOM 1074 CG LEU A 70 4.220 -6.010 -3.458 1.00 0.00 C ATOM 1075 CD1 LEU A 70 3.478 -5.674 -4.753 1.00 0.00 C ATOM 1076 CD2 LEU A 70 3.909 -7.427 -2.970 1.00 0.00 C ATOM 0 H LEU A 70 4.862 -3.662 -2.727 1.00 0.00 H new ATOM 0 HA LEU A 70 6.508 -5.742 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.903 -5.276 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.199 -6.783 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 70 3.862 -5.320 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.408 -5.828 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.662 -4.633 -5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.834 -6.321 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.831 -7.547 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.284 -8.151 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.390 -7.594 -2.006 1.00 0.00 H new ATOM 1088 N LEU A 71 7.933 -3.388 -3.396 1.00 0.00 N ATOM 1089 CA LEU A 71 9.219 -2.832 -3.780 1.00 0.00 C ATOM 1090 C LEU A 71 10.050 -2.566 -2.523 1.00 0.00 C ATOM 1091 O LEU A 71 11.261 -2.782 -2.518 1.00 0.00 O ATOM 1092 CB LEU A 71 9.028 -1.598 -4.663 1.00 0.00 C ATOM 1093 CG LEU A 71 9.145 -1.829 -6.172 1.00 0.00 C ATOM 1094 CD1 LEU A 71 8.088 -1.026 -6.933 1.00 0.00 C ATOM 1095 CD2 LEU A 71 10.561 -1.523 -6.664 1.00 0.00 C ATOM 0 H LEU A 71 7.134 -2.783 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 71 9.776 -3.546 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.045 -1.175 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.765 -0.849 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 71 8.954 -2.883 -6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.193 -1.208 -8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.094 -1.334 -6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.223 0.037 -6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.618 -1.695 -7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.804 -0.482 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.272 -2.174 -6.154 1.00 0.00 H new ATOM 1107 N GLN A 72 9.367 -2.100 -1.488 1.00 0.00 N ATOM 1108 CA GLN A 72 10.027 -1.802 -0.228 1.00 0.00 C ATOM 1109 C GLN A 72 10.372 -3.097 0.510 1.00 0.00 C ATOM 1110 O GLN A 72 11.434 -3.203 1.121 1.00 0.00 O ATOM 1111 CB GLN A 72 9.161 -0.889 0.642 1.00 0.00 C ATOM 1112 CG GLN A 72 8.634 -1.638 1.868 1.00 0.00 C ATOM 1113 CD GLN A 72 7.795 -0.717 2.755 1.00 0.00 C ATOM 1114 OE1 GLN A 72 8.305 0.043 3.562 1.00 0.00 O ATOM 1115 NE2 GLN A 72 6.484 -0.826 2.562 1.00 0.00 N ATOM 0 H GLN A 72 8.363 -1.921 -1.496 1.00 0.00 H new ATOM 0 HA GLN A 72 10.955 -1.271 -0.443 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.744 -0.025 0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.324 -0.509 0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.032 -2.488 1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.470 -2.038 2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.123 -1.483 1.870 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.839 -0.253 3.106 1.00 0.00 H new ATOM 1124 N LEU A 73 9.455 -4.050 0.428 1.00 0.00 N ATOM 1125 CA LEU A 73 9.650 -5.333 1.080 1.00 0.00 C ATOM 1126 C LEU A 73 10.844 -6.048 0.445 1.00 0.00 C ATOM 1127 O LEU A 73 11.557 -6.791 1.118 1.00 0.00 O ATOM 1128 CB LEU A 73 8.357 -6.151 1.050 1.00 0.00 C ATOM 1129 CG LEU A 73 7.218 -5.639 1.934 1.00 0.00 C ATOM 1130 CD1 LEU A 73 5.980 -6.528 1.803 1.00 0.00 C ATOM 1131 CD2 LEU A 73 7.673 -5.500 3.388 1.00 0.00 C ATOM 0 H LEU A 73 8.575 -3.959 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 73 9.887 -5.192 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.001 -6.193 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.590 -7.173 1.348 1.00 0.00 H new ATOM 0 HG LEU A 73 6.938 -4.644 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.186 -6.142 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.643 -6.532 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.228 -7.545 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.845 -5.134 3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.996 -6.471 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.503 -4.795 3.444 1.00 0.00 H new ATOM 1143 N GLY A 74 11.026 -5.798 -0.843 1.00 0.00 N ATOM 1144 CA GLY A 74 12.122 -6.408 -1.576 1.00 0.00 C ATOM 1145 C GLY A 74 11.623 -7.562 -2.448 1.00 0.00 C ATOM 1146 O GLY A 74 12.333 -8.547 -2.646 1.00 0.00 O ATOM 0 H GLY A 74 10.433 -5.181 -1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.608 -5.659 -2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.873 -6.775 -0.876 1.00 0.00 H new ATOM 1150 N TYR A 75 10.405 -7.403 -2.945 1.00 0.00 N ATOM 1151 CA TYR A 75 9.803 -8.420 -3.791 1.00 0.00 C ATOM 1152 C TYR A 75 9.786 -7.975 -5.255 1.00 0.00 C ATOM 1153 O TYR A 75 9.516 -8.777 -6.147 1.00 0.00 O ATOM 1154 CB TYR A 75 8.363 -8.577 -3.300 1.00 0.00 C ATOM 1155 CG TYR A 75 8.230 -9.385 -2.008 1.00 0.00 C ATOM 1156 CD1 TYR A 75 8.949 -9.018 -0.888 1.00 0.00 C ATOM 1157 CD2 TYR A 75 7.392 -10.480 -1.961 1.00 0.00 C ATOM 1158 CE1 TYR A 75 8.824 -9.778 0.329 1.00 0.00 C ATOM 1159 CE2 TYR A 75 7.267 -11.240 -0.745 1.00 0.00 C ATOM 1160 CZ TYR A 75 7.989 -10.852 0.340 1.00 0.00 C ATOM 1161 OH TYR A 75 7.871 -11.570 1.489 1.00 0.00 O ATOM 0 H TYR A 75 9.819 -6.585 -2.778 1.00 0.00 H new ATOM 0 HA TYR A 75 10.367 -9.351 -3.735 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.934 -7.587 -3.143 1.00 0.00 H new ATOM 0 HB3 TYR A 75 7.775 -9.060 -4.080 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.605 -8.161 -0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.829 -10.767 -2.837 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.380 -9.502 1.212 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.614 -12.099 -0.695 1.00 0.00 H new ATOM 0 HH TYR A 75 7.240 -12.307 1.351 1.00 0.00 H new