USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 658 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 75 ASN : amide:sc= -2.44! C(o=-9.2!,f=-18!) USER MOD Set 1.2: A 77 THR OG1 : rot 109:sc= -6.73! USER MOD Set 2.1: A 43 CYS SG : rot 141:sc= -1.34 USER MOD Set 2.2: A 45 GLN : amide:sc= -4.05! C(o=-11!,f=-12!) USER MOD Set 2.3: A 48 CYS SG : rot -148:sc= 0.126 USER MOD Set 2.4: A 64 HIS : no HE2:sc= -3.64! C(o=-11!,f=-12!) USER MOD Set 2.5: A 70 HIS : no HE2:sc= -2.57 K(o=-11,f=-13) USER MOD Set 3.1: A 61 SER OG : rot 126:sc= 0.0142 USER MOD Set 3.2: A 73 THR OG1 : rot 128:sc= 0.407 USER MOD Set 4.1: A 30 CYS SG : rot -154:sc= -0.769! USER MOD Set 4.2: A 33 CYS SG : rot -151:sc= 0.252 USER MOD Set 4.3: A 53 CYS SG : rot -115:sc= 1.59 USER MOD Set 4.4: A 60 HIS :FLIP no HD1:sc= -1.99 F(o=-3.6!,f=-0.92) USER MOD Set 5.1: A 31 GLN :FLIP amide:sc= -7.98! C(o=-11!,f=-8.2!) USER MOD Set 5.2: A 32 SER OG : rot 104:sc= -0.202 USER MOD Set 6.1: A 8 CYS SG : rot 89:sc= -4.47 USER MOD Set 6.2: A 10 HIS : no HD1:sc= -2.91! C(o=-21!,f=-25!) USER MOD Set 6.3: A 71 ASN : amide:sc= -2.63 K(o=-21,f=-24!) USER MOD Set 6.4: A 83 CYS SG : rot 144:sc= -5.01 USER MOD Set 6.5: A 86 CYS SG : rot 76:sc= -6.47! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.584 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= -0.0492 (180deg=-0.379) USER MOD Single : A 26 SER OG : rot -49:sc= -1.12 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.341 USER MOD Single : A 36 THR OG1 : rot -98:sc= -0.827! USER MOD Single : A 39 ASN :FLIP amide:sc= -0.0224 F(o=-1.6,f=-0.022) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -150:sc= -1.96 USER MOD Single : A 62 THR OG1 : rot -54:sc= -0.145! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= -0.222 (180deg=-0.891) USER MOD Single : A 69 LYS NZ :NH3+ 157:sc= -0.0358 (180deg=-0.903) USER MOD Single : A 78 THR OG1 : rot -119:sc= 0.319 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -117:sc= -0.562 (180deg=-2.12!) USER MOD Single : A 94 GLN : amide:sc= -0.613 X(o=-0.61,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 72 N ASP A 6 12.890 5.378 5.702 1.00 0.00 N ATOM 73 CA ASP A 6 11.486 5.361 5.196 1.00 0.00 C ATOM 74 C ASP A 6 11.318 4.207 4.204 1.00 0.00 C ATOM 75 O ASP A 6 10.236 3.690 4.010 1.00 0.00 O ATOM 76 CB ASP A 6 11.197 6.691 4.490 1.00 0.00 C ATOM 77 CG ASP A 6 9.758 7.130 4.774 1.00 0.00 C ATOM 78 OD1 ASP A 6 9.576 8.262 5.191 1.00 0.00 O ATOM 79 OD2 ASP A 6 8.865 6.326 4.570 1.00 0.00 O ATOM 0 HA ASP A 6 10.793 5.226 6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.894 7.455 4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.348 6.583 3.416 1.00 0.00 H new ATOM 84 N LEU A 7 12.385 3.812 3.571 1.00 0.00 N ATOM 85 CA LEU A 7 12.301 2.701 2.582 1.00 0.00 C ATOM 86 C LEU A 7 12.210 1.355 3.315 1.00 0.00 C ATOM 87 O LEU A 7 12.597 1.232 4.460 1.00 0.00 O ATOM 88 CB LEU A 7 13.538 2.765 1.651 1.00 0.00 C ATOM 89 CG LEU A 7 14.654 1.776 2.064 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.971 1.881 3.568 1.00 0.00 C ATOM 91 CD2 LEU A 7 14.255 0.331 1.705 1.00 0.00 C ATOM 0 H LEU A 7 13.315 4.211 3.695 1.00 0.00 H new ATOM 0 HA LEU A 7 11.403 2.802 1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.228 2.549 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.938 3.779 1.656 1.00 0.00 H new ATOM 0 HG LEU A 7 15.554 2.043 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.759 1.173 3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.303 2.893 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 7 14.075 1.652 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.052 -0.351 2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.336 0.066 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 7 14.095 0.254 0.630 1.00 0.00 H new ATOM 103 N CYS A 8 11.698 0.344 2.659 1.00 0.00 N ATOM 104 CA CYS A 8 11.581 -1.002 3.299 1.00 0.00 C ATOM 105 C CYS A 8 12.215 -2.042 2.365 1.00 0.00 C ATOM 106 O CYS A 8 12.363 -1.814 1.184 1.00 0.00 O ATOM 107 CB CYS A 8 10.096 -1.343 3.558 1.00 0.00 C ATOM 108 SG CYS A 8 9.644 -2.897 2.723 1.00 0.00 S ATOM 0 H CYS A 8 11.353 0.394 1.700 1.00 0.00 H new ATOM 0 HA CYS A 8 12.099 -1.004 4.258 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.919 -1.434 4.630 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.462 -0.532 3.198 1.00 0.00 H new ATOM 0 HG CYS A 8 9.878 -3.900 3.517 1.00 0.00 H new ATOM 113 N PRO A 9 12.592 -3.172 2.893 1.00 0.00 N ATOM 114 CA PRO A 9 13.229 -4.268 2.099 1.00 0.00 C ATOM 115 C PRO A 9 12.357 -4.672 0.908 1.00 0.00 C ATOM 116 O PRO A 9 12.779 -4.650 -0.231 1.00 0.00 O ATOM 117 CB PRO A 9 13.331 -5.429 3.104 1.00 0.00 C ATOM 118 CG PRO A 9 12.381 -5.070 4.196 1.00 0.00 C ATOM 119 CD PRO A 9 12.446 -3.555 4.297 1.00 0.00 C ATOM 0 HA PRO A 9 14.191 -3.972 1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.061 -6.378 2.641 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.347 -5.536 3.483 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.370 -5.406 3.965 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.666 -5.540 5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.545 -3.135 4.745 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.288 -3.221 4.903 1.00 0.00 H new ATOM 127 N HIS A 10 11.140 -5.041 1.182 1.00 0.00 N ATOM 128 CA HIS A 10 10.209 -5.451 0.091 1.00 0.00 C ATOM 129 C HIS A 10 9.710 -4.204 -0.642 1.00 0.00 C ATOM 130 O HIS A 10 8.947 -4.286 -1.582 1.00 0.00 O ATOM 131 CB HIS A 10 9.018 -6.217 0.690 1.00 0.00 C ATOM 132 CG HIS A 10 9.480 -7.010 1.880 1.00 0.00 C ATOM 133 ND1 HIS A 10 9.532 -6.473 3.166 1.00 0.00 N ATOM 134 CD2 HIS A 10 9.915 -8.307 1.994 1.00 0.00 C ATOM 135 CE1 HIS A 10 9.986 -7.447 3.981 1.00 0.00 C ATOM 136 NE2 HIS A 10 10.232 -8.576 3.317 1.00 0.00 N ATOM 0 H HIS A 10 10.744 -5.077 2.121 1.00 0.00 H new ATOM 0 HA HIS A 10 10.731 -6.099 -0.612 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.235 -5.519 0.986 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.586 -6.882 -0.058 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.998 -9.010 1.178 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.133 -7.326 5.044 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.580 -9.454 3.701 1.00 0.00 H new ATOM 144 N LEU A 11 10.138 -3.051 -0.212 1.00 0.00 N ATOM 145 CA LEU A 11 9.695 -1.792 -0.872 1.00 0.00 C ATOM 146 C LEU A 11 10.360 -1.668 -2.243 1.00 0.00 C ATOM 147 O LEU A 11 9.834 -1.050 -3.146 1.00 0.00 O ATOM 148 CB LEU A 11 10.093 -0.607 0.014 1.00 0.00 C ATOM 149 CG LEU A 11 9.351 0.668 -0.426 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.939 1.482 0.808 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.268 1.517 -1.317 1.00 0.00 C ATOM 0 H LEU A 11 10.779 -2.926 0.572 1.00 0.00 H new ATOM 0 HA LEU A 11 8.614 -1.802 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.860 -0.829 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.170 -0.447 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 11 8.459 0.387 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.414 2.383 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.282 0.882 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.828 1.760 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.740 2.419 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.163 1.794 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.553 0.942 -2.198 1.00 0.00 H new ATOM 163 N ASP A 12 11.510 -2.256 -2.404 1.00 0.00 N ATOM 164 CA ASP A 12 12.211 -2.181 -3.716 1.00 0.00 C ATOM 165 C ASP A 12 11.705 -3.301 -4.626 1.00 0.00 C ATOM 166 O ASP A 12 11.851 -3.249 -5.831 1.00 0.00 O ATOM 167 CB ASP A 12 13.712 -2.356 -3.491 1.00 0.00 C ATOM 168 CG ASP A 12 14.428 -2.447 -4.839 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.226 -1.564 -5.656 1.00 0.00 O ATOM 170 OD2 ASP A 12 15.166 -3.400 -5.033 1.00 0.00 O ATOM 0 H ASP A 12 11.997 -2.787 -1.682 1.00 0.00 H new ATOM 0 HA ASP A 12 12.016 -1.215 -4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.104 -1.517 -2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.899 -3.257 -2.907 1.00 0.00 H new ATOM 175 N SER A 13 11.117 -4.317 -4.056 1.00 0.00 N ATOM 176 CA SER A 13 10.609 -5.447 -4.886 1.00 0.00 C ATOM 177 C SER A 13 9.247 -5.090 -5.488 1.00 0.00 C ATOM 178 O SER A 13 8.895 -5.545 -6.559 1.00 0.00 O ATOM 179 CB SER A 13 10.466 -6.693 -4.010 1.00 0.00 C ATOM 180 OG SER A 13 10.286 -7.833 -4.841 1.00 0.00 O ATOM 0 H SER A 13 10.966 -4.414 -3.052 1.00 0.00 H new ATOM 0 HA SER A 13 11.314 -5.641 -5.694 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.352 -6.818 -3.388 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.617 -6.582 -3.336 1.00 0.00 H new ATOM 0 HG SER A 13 10.196 -8.634 -4.283 1.00 0.00 H new ATOM 186 N ILE A 14 8.475 -4.284 -4.812 1.00 0.00 N ATOM 187 CA ILE A 14 7.135 -3.911 -5.353 1.00 0.00 C ATOM 188 C ILE A 14 7.297 -2.932 -6.520 1.00 0.00 C ATOM 189 O ILE A 14 6.345 -2.315 -6.955 1.00 0.00 O ATOM 190 CB ILE A 14 6.312 -3.249 -4.255 1.00 0.00 C ATOM 191 CG1 ILE A 14 7.111 -2.097 -3.647 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.990 -4.276 -3.165 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.196 -1.250 -2.757 1.00 0.00 C ATOM 0 H ILE A 14 8.712 -3.868 -3.911 1.00 0.00 H new ATOM 0 HA ILE A 14 6.629 -4.810 -5.704 1.00 0.00 H new ATOM 0 HB ILE A 14 5.383 -2.867 -4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.944 -2.488 -3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.538 -1.480 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.401 -3.801 -2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.421 -5.099 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.918 -4.659 -2.741 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.768 -0.429 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.378 -0.847 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.790 -1.870 -1.958 1.00 0.00 H new ATOM 205 N GLY A 15 8.493 -2.789 -7.029 1.00 0.00 N ATOM 206 CA GLY A 15 8.725 -1.854 -8.176 1.00 0.00 C ATOM 207 C GLY A 15 7.824 -0.620 -8.052 1.00 0.00 C ATOM 208 O GLY A 15 7.580 -0.122 -6.972 1.00 0.00 O ATOM 0 H GLY A 15 9.324 -3.281 -6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.771 -1.548 -8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.523 -2.366 -9.117 1.00 0.00 H new ATOM 212 N GLU A 16 7.324 -0.128 -9.158 1.00 0.00 N ATOM 213 CA GLU A 16 6.435 1.072 -9.118 1.00 0.00 C ATOM 214 C GLU A 16 5.276 0.874 -10.099 1.00 0.00 C ATOM 215 O GLU A 16 5.376 1.191 -11.267 1.00 0.00 O ATOM 216 CB GLU A 16 7.238 2.314 -9.520 1.00 0.00 C ATOM 217 CG GLU A 16 6.406 3.581 -9.280 1.00 0.00 C ATOM 218 CD GLU A 16 6.131 3.739 -7.783 1.00 0.00 C ATOM 219 OE1 GLU A 16 4.974 3.684 -7.404 1.00 0.00 O ATOM 220 OE2 GLU A 16 7.085 3.913 -7.041 1.00 0.00 O ATOM 0 H GLU A 16 7.494 -0.507 -10.089 1.00 0.00 H new ATOM 0 HA GLU A 16 6.042 1.204 -8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.162 2.362 -8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.521 2.249 -10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.938 4.454 -9.656 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.466 3.520 -9.828 1.00 0.00 H new ATOM 227 N VAL A 17 4.176 0.352 -9.630 1.00 0.00 N ATOM 228 CA VAL A 17 3.006 0.131 -10.528 1.00 0.00 C ATOM 229 C VAL A 17 2.500 1.490 -11.035 1.00 0.00 C ATOM 230 O VAL A 17 3.133 2.507 -10.831 1.00 0.00 O ATOM 231 CB VAL A 17 1.909 -0.612 -9.745 1.00 0.00 C ATOM 232 CG1 VAL A 17 0.956 0.388 -9.081 1.00 0.00 C ATOM 233 CG2 VAL A 17 1.117 -1.525 -10.694 1.00 0.00 C ATOM 0 H VAL A 17 4.036 0.068 -8.660 1.00 0.00 H new ATOM 0 HA VAL A 17 3.290 -0.475 -11.388 1.00 0.00 H new ATOM 0 HB VAL A 17 2.383 -1.216 -8.971 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.186 -0.153 -8.531 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.515 1.022 -8.393 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.488 1.008 -9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.342 -2.048 -10.133 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.655 -0.923 -11.477 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.791 -2.252 -11.146 1.00 0.00 H new ATOM 243 N THR A 18 1.368 1.525 -11.690 1.00 0.00 N ATOM 244 CA THR A 18 0.847 2.827 -12.192 1.00 0.00 C ATOM 245 C THR A 18 0.511 3.717 -10.999 1.00 0.00 C ATOM 246 O THR A 18 -0.144 3.304 -10.066 1.00 0.00 O ATOM 247 CB THR A 18 -0.413 2.580 -13.040 1.00 0.00 C ATOM 248 OG1 THR A 18 -0.802 1.220 -12.917 1.00 0.00 O ATOM 249 CG2 THR A 18 -0.120 2.891 -14.511 1.00 0.00 C ATOM 0 H THR A 18 0.787 0.713 -11.897 1.00 0.00 H new ATOM 0 HA THR A 18 1.598 3.319 -12.811 1.00 0.00 H new ATOM 0 HB THR A 18 -1.216 3.228 -12.688 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.605 1.060 -13.455 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.016 2.714 -15.106 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.181 3.934 -14.609 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.684 2.246 -14.866 1.00 0.00 H new ATOM 257 N LYS A 19 0.948 4.941 -11.026 1.00 0.00 N ATOM 258 CA LYS A 19 0.643 5.858 -9.897 1.00 0.00 C ATOM 259 C LYS A 19 -0.871 6.012 -9.845 1.00 0.00 C ATOM 260 O LYS A 19 -1.504 5.746 -8.845 1.00 0.00 O ATOM 261 CB LYS A 19 1.316 7.223 -10.127 1.00 0.00 C ATOM 262 CG LYS A 19 2.196 7.164 -11.385 1.00 0.00 C ATOM 263 CD LYS A 19 3.361 8.152 -11.256 1.00 0.00 C ATOM 264 CE LYS A 19 4.532 7.473 -10.535 1.00 0.00 C ATOM 265 NZ LYS A 19 5.474 8.513 -10.032 1.00 0.00 N ATOM 0 H LYS A 19 1.503 5.347 -11.780 1.00 0.00 H new ATOM 0 HA LYS A 19 1.021 5.459 -8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.558 7.998 -10.238 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.921 7.491 -9.261 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.579 6.153 -11.524 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.601 7.403 -12.267 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.675 8.490 -12.243 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.043 9.035 -10.703 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.162 6.870 -9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.049 6.797 -11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.269 8.054 -9.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.835 9.070 -10.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.976 9.141 -9.370 1.00 0.00 H new ATOM 279 N GLU A 20 -1.456 6.405 -10.941 1.00 0.00 N ATOM 280 CA GLU A 20 -2.928 6.536 -10.992 1.00 0.00 C ATOM 281 C GLU A 20 -3.532 5.291 -10.351 1.00 0.00 C ATOM 282 O GLU A 20 -4.545 5.347 -9.693 1.00 0.00 O ATOM 283 CB GLU A 20 -3.370 6.653 -12.447 1.00 0.00 C ATOM 284 CG GLU A 20 -4.874 6.380 -12.573 1.00 0.00 C ATOM 285 CD GLU A 20 -5.242 6.227 -14.049 1.00 0.00 C ATOM 286 OE1 GLU A 20 -5.803 7.161 -14.599 1.00 0.00 O ATOM 287 OE2 GLU A 20 -4.959 5.179 -14.606 1.00 0.00 O ATOM 0 H GLU A 20 -0.970 6.641 -11.806 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.260 7.425 -10.456 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.142 7.650 -12.824 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.813 5.945 -13.061 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.137 5.475 -12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.441 7.198 -12.129 1.00 0.00 H new ATOM 294 N ASP A 21 -2.899 4.165 -10.521 1.00 0.00 N ATOM 295 CA ASP A 21 -3.438 2.929 -9.892 1.00 0.00 C ATOM 296 C ASP A 21 -3.592 3.196 -8.402 1.00 0.00 C ATOM 297 O ASP A 21 -4.558 2.807 -7.781 1.00 0.00 O ATOM 298 CB ASP A 21 -2.473 1.760 -10.117 1.00 0.00 C ATOM 299 CG ASP A 21 -3.226 0.436 -9.966 1.00 0.00 C ATOM 300 OD1 ASP A 21 -4.257 0.288 -10.600 1.00 0.00 O ATOM 301 OD2 ASP A 21 -2.757 -0.407 -9.218 1.00 0.00 O ATOM 0 H ASP A 21 -2.042 4.047 -11.061 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.399 2.666 -10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.030 1.827 -11.111 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.654 1.808 -9.399 1.00 0.00 H new ATOM 306 N LEU A 22 -2.650 3.892 -7.832 1.00 0.00 N ATOM 307 CA LEU A 22 -2.744 4.223 -6.387 1.00 0.00 C ATOM 308 C LEU A 22 -3.790 5.315 -6.221 1.00 0.00 C ATOM 309 O LEU A 22 -4.357 5.508 -5.163 1.00 0.00 O ATOM 310 CB LEU A 22 -1.388 4.717 -5.868 1.00 0.00 C ATOM 311 CG LEU A 22 -0.258 3.999 -6.607 1.00 0.00 C ATOM 312 CD1 LEU A 22 1.088 4.416 -6.013 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.429 2.487 -6.463 1.00 0.00 C ATOM 0 H LEU A 22 -1.819 4.246 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.026 3.337 -5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.303 5.794 -6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.309 4.533 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.290 4.269 -7.663 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.893 3.904 -6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.214 5.494 -6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.118 4.148 -4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.378 1.978 -6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.400 2.216 -5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.387 2.187 -6.888 1.00 0.00 H new ATOM 325 N LEU A 23 -4.051 6.026 -7.277 1.00 0.00 N ATOM 326 CA LEU A 23 -5.059 7.111 -7.229 1.00 0.00 C ATOM 327 C LEU A 23 -6.455 6.490 -7.314 1.00 0.00 C ATOM 328 O LEU A 23 -7.258 6.653 -6.418 1.00 0.00 O ATOM 329 CB LEU A 23 -4.796 8.054 -8.408 1.00 0.00 C ATOM 330 CG LEU A 23 -3.337 8.547 -8.346 1.00 0.00 C ATOM 331 CD1 LEU A 23 -3.122 9.661 -9.383 1.00 0.00 C ATOM 332 CD2 LEU A 23 -3.026 9.095 -6.946 1.00 0.00 C ATOM 0 H LEU A 23 -3.601 5.898 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.994 7.677 -6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.978 7.537 -9.350 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.481 8.901 -8.371 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.673 7.710 -8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.089 10.007 -9.336 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.330 9.275 -10.381 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.793 10.492 -9.168 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.993 9.441 -6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.695 9.927 -6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.169 8.307 -6.207 1.00 0.00 H new ATOM 344 N LEU A 24 -6.756 5.750 -8.352 1.00 0.00 N ATOM 345 CA LEU A 24 -8.100 5.120 -8.406 1.00 0.00 C ATOM 346 C LEU A 24 -8.257 4.271 -7.160 1.00 0.00 C ATOM 347 O LEU A 24 -9.274 4.305 -6.518 1.00 0.00 O ATOM 348 CB LEU A 24 -8.270 4.250 -9.658 1.00 0.00 C ATOM 349 CG LEU A 24 -7.286 3.068 -9.658 1.00 0.00 C ATOM 350 CD1 LEU A 24 -7.967 1.815 -9.094 1.00 0.00 C ATOM 351 CD2 LEU A 24 -6.851 2.780 -11.099 1.00 0.00 C ATOM 0 H LEU A 24 -6.142 5.561 -9.144 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.863 5.897 -8.453 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.292 3.874 -9.706 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.112 4.857 -10.549 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.424 3.323 -9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.261 0.984 -9.099 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.294 2.007 -8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.830 1.562 -9.710 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.153 1.943 -11.108 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.725 2.530 -11.700 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.365 3.662 -11.516 1.00 0.00 H new ATOM 363 N LYS A 25 -7.243 3.531 -6.786 1.00 0.00 N ATOM 364 CA LYS A 25 -7.358 2.717 -5.548 1.00 0.00 C ATOM 365 C LYS A 25 -7.909 3.631 -4.453 1.00 0.00 C ATOM 366 O LYS A 25 -8.769 3.260 -3.680 1.00 0.00 O ATOM 367 CB LYS A 25 -5.974 2.190 -5.155 1.00 0.00 C ATOM 368 CG LYS A 25 -5.650 0.931 -5.968 1.00 0.00 C ATOM 369 CD LYS A 25 -4.165 0.588 -5.820 1.00 0.00 C ATOM 370 CE LYS A 25 -3.950 -0.902 -6.092 1.00 0.00 C ATOM 371 NZ LYS A 25 -2.498 -1.167 -6.301 1.00 0.00 N ATOM 0 H LYS A 25 -6.354 3.458 -7.280 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.019 1.863 -5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.219 2.955 -5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.950 1.962 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.262 0.097 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.893 1.092 -7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.573 1.183 -6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.823 0.837 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.321 -1.492 -5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.516 -1.207 -6.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.301 -2.174 -6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.237 -0.922 -7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.941 -0.590 -5.639 1.00 0.00 H new ATOM 385 N SER A 26 -7.429 4.844 -4.416 1.00 0.00 N ATOM 386 CA SER A 26 -7.916 5.831 -3.417 1.00 0.00 C ATOM 387 C SER A 26 -9.322 6.283 -3.821 1.00 0.00 C ATOM 388 O SER A 26 -9.843 7.253 -3.307 1.00 0.00 O ATOM 389 CB SER A 26 -6.978 7.043 -3.414 1.00 0.00 C ATOM 390 OG SER A 26 -7.163 7.782 -2.214 1.00 0.00 O ATOM 0 H SER A 26 -6.709 5.196 -5.047 1.00 0.00 H new ATOM 0 HA SER A 26 -7.939 5.382 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.942 6.715 -3.495 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.181 7.676 -4.278 1.00 0.00 H new ATOM 0 HG SER A 26 -8.120 7.938 -2.070 1.00 0.00 H new ATOM 396 N LYS A 27 -9.927 5.609 -4.764 1.00 0.00 N ATOM 397 CA LYS A 27 -11.281 6.029 -5.226 1.00 0.00 C ATOM 398 C LYS A 27 -12.190 6.280 -4.020 1.00 0.00 C ATOM 399 O LYS A 27 -12.822 7.315 -3.931 1.00 0.00 O ATOM 400 CB LYS A 27 -11.900 4.964 -6.147 1.00 0.00 C ATOM 401 CG LYS A 27 -11.538 3.546 -5.674 1.00 0.00 C ATOM 402 CD LYS A 27 -12.728 2.610 -5.896 1.00 0.00 C ATOM 403 CE LYS A 27 -12.987 2.479 -7.398 1.00 0.00 C ATOM 404 NZ LYS A 27 -14.132 1.553 -7.628 1.00 0.00 N ATOM 0 H LYS A 27 -9.543 4.788 -5.232 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.180 6.953 -5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.984 5.079 -6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.547 5.112 -7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.668 3.181 -6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.267 3.562 -4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.523 1.631 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.613 3.001 -5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.205 3.457 -7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.095 2.103 -7.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.307 1.465 -8.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.907 0.618 -7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.982 1.930 -7.162 1.00 0.00 H new ATOM 418 N GLY A 28 -12.258 5.372 -3.077 1.00 0.00 N ATOM 419 CA GLY A 28 -13.121 5.620 -1.892 1.00 0.00 C ATOM 420 C GLY A 28 -13.864 4.356 -1.495 1.00 0.00 C ATOM 421 O GLY A 28 -14.792 4.406 -0.719 1.00 0.00 O ATOM 0 H GLY A 28 -11.759 4.483 -3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.511 5.966 -1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.835 6.413 -2.115 1.00 0.00 H new ATOM 425 N THR A 29 -13.485 3.223 -2.013 1.00 0.00 N ATOM 426 CA THR A 29 -14.212 1.985 -1.632 1.00 0.00 C ATOM 427 C THR A 29 -13.350 0.738 -1.880 1.00 0.00 C ATOM 428 O THR A 29 -12.696 0.611 -2.897 1.00 0.00 O ATOM 429 CB THR A 29 -15.482 1.889 -2.471 1.00 0.00 C ATOM 430 OG1 THR A 29 -15.163 2.095 -3.840 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.506 2.936 -2.021 1.00 0.00 C ATOM 0 H THR A 29 -12.717 3.102 -2.673 1.00 0.00 H new ATOM 0 HA THR A 29 -14.451 2.030 -0.570 1.00 0.00 H new ATOM 0 HB THR A 29 -15.915 0.897 -2.338 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.979 2.032 -4.379 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.405 2.852 -2.632 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.761 2.769 -0.974 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.081 3.933 -2.136 1.00 0.00 H new ATOM 439 N CYS A 30 -13.380 -0.202 -0.967 1.00 0.00 N ATOM 440 CA CYS A 30 -12.601 -1.467 -1.156 1.00 0.00 C ATOM 441 C CYS A 30 -13.069 -2.115 -2.460 1.00 0.00 C ATOM 442 O CYS A 30 -14.248 -2.152 -2.747 1.00 0.00 O ATOM 443 CB CYS A 30 -12.872 -2.426 0.015 1.00 0.00 C ATOM 444 SG CYS A 30 -11.975 -3.986 -0.248 1.00 0.00 S ATOM 0 H CYS A 30 -13.911 -0.148 -0.098 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.533 -1.251 -1.193 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.557 -1.968 0.953 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.941 -2.620 0.098 1.00 0.00 H new ATOM 0 HG CYS A 30 -12.587 -4.949 0.376 1.00 0.00 H new ATOM 449 N GLN A 31 -12.170 -2.613 -3.263 1.00 0.00 N ATOM 450 CA GLN A 31 -12.610 -3.233 -4.545 1.00 0.00 C ATOM 451 C GLN A 31 -13.184 -4.626 -4.283 1.00 0.00 C ATOM 452 O GLN A 31 -13.781 -5.230 -5.151 1.00 0.00 O ATOM 453 CB GLN A 31 -11.434 -3.331 -5.522 1.00 0.00 C ATOM 454 CG GLN A 31 -10.287 -4.142 -4.907 1.00 0.00 C ATOM 455 CD GLN A 31 -10.570 -5.639 -5.052 1.00 0.00 C ATOM 456 OE1 GLN A 31 -9.769 -6.497 -4.483 1.00 0.00 O flip ATOM 457 NE2 GLN A 31 -11.525 -6.031 -5.692 1.00 0.00 N flip ATOM 0 H GLN A 31 -11.165 -2.619 -3.092 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.383 -2.605 -4.988 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.763 -3.801 -6.449 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.083 -2.331 -5.778 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.348 -3.891 -5.400 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.173 -3.885 -3.854 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.151 -5.360 -6.137 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.701 -7.031 -5.785 1.00 0.00 H new ATOM 466 N SER A 32 -13.014 -5.140 -3.094 1.00 0.00 N ATOM 467 CA SER A 32 -13.559 -6.493 -2.778 1.00 0.00 C ATOM 468 C SER A 32 -14.671 -6.370 -1.734 1.00 0.00 C ATOM 469 O SER A 32 -15.449 -7.282 -1.537 1.00 0.00 O ATOM 470 CB SER A 32 -12.439 -7.377 -2.230 1.00 0.00 C ATOM 471 OG SER A 32 -11.485 -7.615 -3.256 1.00 0.00 O ATOM 0 H SER A 32 -12.521 -4.682 -2.328 1.00 0.00 H new ATOM 0 HA SER A 32 -13.965 -6.940 -3.685 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.961 -6.893 -1.378 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.848 -8.322 -1.871 1.00 0.00 H new ATOM 0 HG SER A 32 -10.691 -7.062 -3.100 1.00 0.00 H new ATOM 477 N CYS A 33 -14.750 -5.250 -1.061 1.00 0.00 N ATOM 478 CA CYS A 33 -15.814 -5.067 -0.025 1.00 0.00 C ATOM 479 C CYS A 33 -16.596 -3.783 -0.305 1.00 0.00 C ATOM 480 O CYS A 33 -17.710 -3.618 0.152 1.00 0.00 O ATOM 481 CB CYS A 33 -15.169 -4.968 1.362 1.00 0.00 C ATOM 482 SG CYS A 33 -14.111 -6.401 1.638 1.00 0.00 S ATOM 0 H CYS A 33 -14.124 -4.454 -1.183 1.00 0.00 H new ATOM 0 HA CYS A 33 -16.491 -5.920 -0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.584 -4.051 1.438 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -15.940 -4.919 2.131 1.00 0.00 H new ATOM 0 HG CYS A 33 -14.060 -6.664 2.910 1.00 0.00 H new ATOM 487 N GLY A 34 -16.026 -2.864 -1.036 1.00 0.00 N ATOM 488 CA GLY A 34 -16.755 -1.595 -1.312 1.00 0.00 C ATOM 489 C GLY A 34 -17.221 -1.008 0.020 1.00 0.00 C ATOM 490 O GLY A 34 -18.398 -0.976 0.322 1.00 0.00 O ATOM 0 H GLY A 34 -15.097 -2.936 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.106 -0.890 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.609 -1.782 -1.964 1.00 0.00 H new ATOM 494 N VAL A 35 -16.295 -0.585 0.840 1.00 0.00 N ATOM 495 CA VAL A 35 -16.660 -0.047 2.185 1.00 0.00 C ATOM 496 C VAL A 35 -16.567 1.485 2.240 1.00 0.00 C ATOM 497 O VAL A 35 -17.473 2.135 2.718 1.00 0.00 O ATOM 498 CB VAL A 35 -15.710 -0.653 3.222 1.00 0.00 C ATOM 499 CG1 VAL A 35 -15.753 -2.184 3.112 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.286 -0.155 2.958 1.00 0.00 C ATOM 0 H VAL A 35 -15.296 -0.589 0.635 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.695 -0.317 2.395 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.016 -0.353 4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.078 -2.621 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.768 -2.534 3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.443 -2.486 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.608 -0.585 3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.974 -0.457 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.261 0.932 3.033 1.00 0.00 H new ATOM 510 N THR A 36 -15.487 2.075 1.784 1.00 0.00 N ATOM 511 CA THR A 36 -15.372 3.564 1.856 1.00 0.00 C ATOM 512 C THR A 36 -13.917 3.967 1.604 1.00 0.00 C ATOM 513 O THR A 36 -13.079 3.141 1.312 1.00 0.00 O ATOM 514 CB THR A 36 -15.800 4.066 3.251 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.883 2.969 4.150 1.00 0.00 O ATOM 516 CG2 THR A 36 -17.164 4.770 3.175 1.00 0.00 C ATOM 0 H THR A 36 -14.689 1.594 1.369 1.00 0.00 H new ATOM 0 HA THR A 36 -16.022 4.008 1.102 1.00 0.00 H new ATOM 0 HB THR A 36 -15.056 4.778 3.608 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.816 2.681 4.229 1.00 0.00 H new ATOM 0 HG21 THR A 36 -17.450 5.117 4.168 1.00 0.00 H new ATOM 0 HG22 THR A 36 -17.097 5.622 2.498 1.00 0.00 H new ATOM 0 HG23 THR A 36 -17.914 4.071 2.805 1.00 0.00 H new ATOM 524 N GLY A 37 -13.621 5.236 1.705 1.00 0.00 N ATOM 525 CA GLY A 37 -12.227 5.711 1.460 1.00 0.00 C ATOM 526 C GLY A 37 -11.440 5.793 2.766 1.00 0.00 C ATOM 527 O GLY A 37 -10.474 5.085 2.961 1.00 0.00 O ATOM 0 H GLY A 37 -14.289 5.968 1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.724 5.034 0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.251 6.691 0.984 1.00 0.00 H new ATOM 531 N PRO A 38 -11.824 6.666 3.652 1.00 0.00 N ATOM 532 CA PRO A 38 -11.115 6.835 4.935 1.00 0.00 C ATOM 533 C PRO A 38 -10.748 5.495 5.570 1.00 0.00 C ATOM 534 O PRO A 38 -11.560 4.599 5.685 1.00 0.00 O ATOM 535 CB PRO A 38 -12.088 7.613 5.829 1.00 0.00 C ATOM 536 CG PRO A 38 -13.305 7.910 4.994 1.00 0.00 C ATOM 537 CD PRO A 38 -12.959 7.583 3.537 1.00 0.00 C ATOM 0 HA PRO A 38 -10.169 7.359 4.795 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.356 7.028 6.709 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.631 8.535 6.187 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.154 7.314 5.329 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.592 8.957 5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.799 7.119 3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.695 8.480 2.976 1.00 0.00 H new ATOM 545 N ASN A 39 -9.520 5.367 5.969 1.00 0.00 N ATOM 546 CA ASN A 39 -9.034 4.108 6.599 1.00 0.00 C ATOM 547 C ASN A 39 -9.027 2.977 5.566 1.00 0.00 C ATOM 548 O ASN A 39 -9.313 1.838 5.874 1.00 0.00 O ATOM 549 CB ASN A 39 -9.921 3.734 7.803 1.00 0.00 C ATOM 550 CG ASN A 39 -9.221 4.139 9.103 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.507 5.232 9.131 1.00 0.00 O flip ATOM 552 ND2 ASN A 39 -9.325 3.456 10.103 1.00 0.00 N flip ATOM 0 H ASN A 39 -8.813 6.098 5.884 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.016 4.262 6.958 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.886 4.235 7.726 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.118 2.662 7.803 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.883 2.602 10.082 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.855 3.737 10.963 1.00 0.00 H new ATOM 559 N LEU A 40 -8.675 3.276 4.344 1.00 0.00 N ATOM 560 CA LEU A 40 -8.622 2.205 3.307 1.00 0.00 C ATOM 561 C LEU A 40 -7.221 1.594 3.320 1.00 0.00 C ATOM 562 O LEU A 40 -6.350 2.024 4.050 1.00 0.00 O ATOM 563 CB LEU A 40 -8.888 2.796 1.909 1.00 0.00 C ATOM 564 CG LEU A 40 -10.362 2.647 1.488 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.475 2.990 0.000 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.850 1.205 1.697 1.00 0.00 C ATOM 0 H LEU A 40 -8.423 4.210 4.020 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.381 1.453 3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.615 3.851 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.251 2.298 1.178 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.973 3.314 2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.513 2.890 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.142 4.015 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.851 2.309 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.894 1.126 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.245 0.525 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.758 0.939 2.750 1.00 0.00 H new ATOM 578 N TRP A 41 -6.993 0.606 2.507 1.00 0.00 N ATOM 579 CA TRP A 41 -5.643 -0.023 2.455 1.00 0.00 C ATOM 580 C TRP A 41 -5.514 -0.818 1.155 1.00 0.00 C ATOM 581 O TRP A 41 -5.933 -1.956 1.063 1.00 0.00 O ATOM 582 CB TRP A 41 -5.449 -0.941 3.671 1.00 0.00 C ATOM 583 CG TRP A 41 -4.217 -0.529 4.418 1.00 0.00 C ATOM 584 CD1 TRP A 41 -2.989 -0.392 3.869 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.073 -0.191 5.830 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.100 0.005 4.853 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.720 0.142 6.078 1.00 0.00 C ATOM 588 CE3 TRP A 41 -4.974 -0.143 6.908 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.279 0.509 7.351 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.533 0.226 8.190 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.188 0.551 8.410 1.00 0.00 C ATOM 0 H TRP A 41 -7.683 0.204 1.873 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.873 0.748 2.481 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.319 -0.885 4.325 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.361 -1.978 3.347 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.742 -0.564 2.832 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.107 0.176 4.692 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.013 -0.392 6.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.241 0.759 7.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.235 0.259 9.010 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.855 0.834 9.398 1.00 0.00 H new ATOM 602 N ALA A 42 -4.954 -0.218 0.142 1.00 0.00 N ATOM 603 CA ALA A 42 -4.814 -0.925 -1.158 1.00 0.00 C ATOM 604 C ALA A 42 -3.457 -1.618 -1.253 1.00 0.00 C ATOM 605 O ALA A 42 -2.441 -1.087 -0.850 1.00 0.00 O ATOM 606 CB ALA A 42 -4.938 0.090 -2.294 1.00 0.00 C ATOM 0 H ALA A 42 -4.587 0.734 0.160 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.598 -1.678 -1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.836 -0.421 -3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.913 0.575 -2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.154 0.841 -2.198 1.00 0.00 H new ATOM 612 N CYS A 43 -3.436 -2.800 -1.807 1.00 0.00 N ATOM 613 CA CYS A 43 -2.152 -3.533 -1.961 1.00 0.00 C ATOM 614 C CYS A 43 -1.216 -2.688 -2.820 1.00 0.00 C ATOM 615 O CYS A 43 -1.660 -1.895 -3.628 1.00 0.00 O ATOM 616 CB CYS A 43 -2.413 -4.874 -2.644 1.00 0.00 C ATOM 617 SG CYS A 43 -1.083 -6.025 -2.224 1.00 0.00 S ATOM 0 H CYS A 43 -4.258 -3.290 -2.160 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.699 -3.715 -0.986 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.374 -5.278 -2.324 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.467 -4.741 -3.724 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.581 -7.209 -2.023 1.00 0.00 H new ATOM 622 N LEU A 44 0.072 -2.821 -2.648 1.00 0.00 N ATOM 623 CA LEU A 44 1.008 -1.988 -3.456 1.00 0.00 C ATOM 624 C LEU A 44 2.155 -2.834 -4.026 1.00 0.00 C ATOM 625 O LEU A 44 3.300 -2.435 -3.980 1.00 0.00 O ATOM 626 CB LEU A 44 1.574 -0.879 -2.561 1.00 0.00 C ATOM 627 CG LEU A 44 2.272 0.188 -3.421 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.238 0.931 -4.275 1.00 0.00 C ATOM 629 CD2 LEU A 44 2.988 1.187 -2.510 1.00 0.00 C ATOM 0 H LEU A 44 0.513 -3.464 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 44 0.464 -1.557 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.771 -0.423 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.281 -1.302 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 44 2.995 -0.298 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.741 1.685 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.728 0.222 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.509 1.415 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.483 1.944 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.262 1.667 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.730 0.663 -1.908 1.00 0.00 H new ATOM 641 N GLN A 45 1.872 -3.989 -4.579 1.00 0.00 N ATOM 642 CA GLN A 45 2.977 -4.815 -5.164 1.00 0.00 C ATOM 643 C GLN A 45 3.056 -4.553 -6.674 1.00 0.00 C ATOM 644 O GLN A 45 2.052 -4.388 -7.339 1.00 0.00 O ATOM 645 CB GLN A 45 2.727 -6.308 -4.910 1.00 0.00 C ATOM 646 CG GLN A 45 1.815 -6.484 -3.701 1.00 0.00 C ATOM 647 CD GLN A 45 2.616 -6.229 -2.424 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.180 -5.499 -1.556 1.00 0.00 O ATOM 649 NE2 GLN A 45 3.778 -6.802 -2.270 1.00 0.00 N ATOM 0 H GLN A 45 0.938 -4.392 -4.651 1.00 0.00 H new ATOM 0 HA GLN A 45 3.918 -4.537 -4.689 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.272 -6.764 -5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.674 -6.820 -4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.974 -5.793 -3.761 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.399 -7.491 -3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.145 -7.415 -2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.320 -6.637 -1.422 1.00 0.00 H new ATOM 658 N VAL A 46 4.244 -4.500 -7.215 1.00 0.00 N ATOM 659 CA VAL A 46 4.398 -4.234 -8.679 1.00 0.00 C ATOM 660 C VAL A 46 3.441 -5.111 -9.497 1.00 0.00 C ATOM 661 O VAL A 46 3.308 -4.931 -10.691 1.00 0.00 O ATOM 662 CB VAL A 46 5.839 -4.537 -9.112 1.00 0.00 C ATOM 663 CG1 VAL A 46 6.248 -5.925 -8.615 1.00 0.00 C ATOM 664 CG2 VAL A 46 5.937 -4.497 -10.641 1.00 0.00 C ATOM 0 H VAL A 46 5.118 -4.630 -6.706 1.00 0.00 H new ATOM 0 HA VAL A 46 4.163 -3.185 -8.860 1.00 0.00 H new ATOM 0 HB VAL A 46 6.505 -3.788 -8.684 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.272 -6.135 -8.925 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.185 -5.955 -7.527 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.579 -6.675 -9.038 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.961 -4.712 -10.946 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.267 -5.243 -11.068 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.653 -3.507 -10.998 1.00 0.00 H new ATOM 674 N ALA A 47 2.786 -6.061 -8.885 1.00 0.00 N ATOM 675 CA ALA A 47 1.862 -6.937 -9.671 1.00 0.00 C ATOM 676 C ALA A 47 0.582 -7.219 -8.882 1.00 0.00 C ATOM 677 O ALA A 47 0.070 -8.321 -8.898 1.00 0.00 O ATOM 678 CB ALA A 47 2.565 -8.261 -9.979 1.00 0.00 C ATOM 0 H ALA A 47 2.847 -6.269 -7.888 1.00 0.00 H new ATOM 0 HA ALA A 47 1.597 -6.426 -10.596 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.896 -8.903 -10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.467 -8.068 -10.559 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.833 -8.756 -9.046 1.00 0.00 H new ATOM 684 N CYS A 48 0.050 -6.242 -8.195 1.00 0.00 N ATOM 685 CA CYS A 48 -1.202 -6.486 -7.425 1.00 0.00 C ATOM 686 C CYS A 48 -2.057 -5.216 -7.378 1.00 0.00 C ATOM 687 O CYS A 48 -2.043 -4.488 -6.405 1.00 0.00 O ATOM 688 CB CYS A 48 -0.849 -6.902 -6.000 1.00 0.00 C ATOM 689 SG CYS A 48 -2.251 -7.787 -5.281 1.00 0.00 S ATOM 0 H CYS A 48 0.425 -5.295 -8.135 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.766 -7.278 -7.917 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.037 -7.538 -6.002 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.610 -6.024 -5.400 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.290 -7.571 -4.000 1.00 0.00 H new ATOM 694 N PRO A 49 -2.809 -4.959 -8.414 1.00 0.00 N ATOM 695 CA PRO A 49 -3.695 -3.770 -8.482 1.00 0.00 C ATOM 696 C PRO A 49 -5.083 -4.055 -7.895 1.00 0.00 C ATOM 697 O PRO A 49 -5.930 -4.641 -8.540 1.00 0.00 O ATOM 698 CB PRO A 49 -3.791 -3.514 -9.984 1.00 0.00 C ATOM 699 CG PRO A 49 -3.676 -4.869 -10.618 1.00 0.00 C ATOM 700 CD PRO A 49 -2.895 -5.763 -9.641 1.00 0.00 C ATOM 0 HA PRO A 49 -3.312 -2.925 -7.909 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.736 -3.036 -10.243 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.995 -2.851 -10.323 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.663 -5.286 -10.816 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.160 -4.803 -11.576 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.411 -6.707 -9.464 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.906 -6.008 -10.028 1.00 0.00 H new ATOM 708 N TYR A 50 -5.320 -3.634 -6.680 1.00 0.00 N ATOM 709 CA TYR A 50 -6.643 -3.861 -6.033 1.00 0.00 C ATOM 710 C TYR A 50 -6.671 -3.073 -4.725 1.00 0.00 C ATOM 711 O TYR A 50 -5.715 -3.084 -3.975 1.00 0.00 O ATOM 712 CB TYR A 50 -6.828 -5.352 -5.721 1.00 0.00 C ATOM 713 CG TYR A 50 -7.128 -6.114 -6.991 1.00 0.00 C ATOM 714 CD1 TYR A 50 -8.313 -5.866 -7.696 1.00 0.00 C ATOM 715 CD2 TYR A 50 -6.221 -7.071 -7.465 1.00 0.00 C ATOM 716 CE1 TYR A 50 -8.590 -6.573 -8.872 1.00 0.00 C ATOM 717 CE2 TYR A 50 -6.498 -7.777 -8.641 1.00 0.00 C ATOM 718 CZ TYR A 50 -7.683 -7.529 -9.344 1.00 0.00 C ATOM 719 OH TYR A 50 -7.956 -8.224 -10.504 1.00 0.00 O ATOM 0 H TYR A 50 -4.643 -3.136 -6.102 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.442 -3.537 -6.700 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.926 -5.749 -5.254 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.641 -5.484 -5.007 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.013 -5.129 -7.332 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.307 -7.264 -6.922 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.504 -6.381 -9.415 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.797 -8.513 -9.006 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.224 -8.848 -10.692 1.00 0.00 H new ATOM 729 N VAL A 51 -7.744 -2.384 -4.435 1.00 0.00 N ATOM 730 CA VAL A 51 -7.790 -1.601 -3.168 1.00 0.00 C ATOM 731 C VAL A 51 -8.610 -2.354 -2.121 1.00 0.00 C ATOM 732 O VAL A 51 -9.817 -2.448 -2.200 1.00 0.00 O ATOM 733 CB VAL A 51 -8.388 -0.216 -3.431 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.565 -0.336 -4.401 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.859 0.413 -2.114 1.00 0.00 C ATOM 0 H VAL A 51 -8.581 -2.330 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.777 -1.472 -2.787 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.623 0.423 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.987 0.652 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.219 -0.764 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.329 -0.982 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.283 1.398 -2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.617 -0.223 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.012 0.512 -1.435 1.00 0.00 H new ATOM 745 N GLY A 52 -7.945 -2.891 -1.136 1.00 0.00 N ATOM 746 CA GLY A 52 -8.649 -3.650 -0.067 1.00 0.00 C ATOM 747 C GLY A 52 -9.146 -2.691 1.013 1.00 0.00 C ATOM 748 O GLY A 52 -9.075 -1.486 0.871 1.00 0.00 O ATOM 0 H GLY A 52 -6.933 -2.835 -1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.489 -4.199 -0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.976 -4.387 0.371 1.00 0.00 H new ATOM 752 N CYS A 53 -9.656 -3.220 2.093 1.00 0.00 N ATOM 753 CA CYS A 53 -10.169 -2.350 3.187 1.00 0.00 C ATOM 754 C CYS A 53 -9.125 -2.214 4.270 1.00 0.00 C ATOM 755 O CYS A 53 -8.130 -2.910 4.312 1.00 0.00 O ATOM 756 CB CYS A 53 -11.379 -2.997 3.885 1.00 0.00 C ATOM 757 SG CYS A 53 -11.415 -4.772 3.538 1.00 0.00 S ATOM 0 H CYS A 53 -9.739 -4.222 2.264 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.430 -1.395 2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.322 -2.829 4.960 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.301 -2.531 3.538 1.00 0.00 H new ATOM 0 HG CYS A 53 -12.471 -5.055 2.835 1.00 0.00 H new ATOM 762 N GLY A 54 -9.426 -1.368 5.193 1.00 0.00 N ATOM 763 CA GLY A 54 -8.576 -1.184 6.382 1.00 0.00 C ATOM 764 C GLY A 54 -9.492 -1.551 7.535 1.00 0.00 C ATOM 765 O GLY A 54 -10.693 -1.562 7.362 1.00 0.00 O ATOM 0 H GLY A 54 -10.255 -0.775 5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.696 -1.826 6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.219 -0.158 6.465 1.00 0.00 H new ATOM 769 N GLU A 55 -8.982 -1.883 8.681 1.00 0.00 N ATOM 770 CA GLU A 55 -9.895 -2.269 9.805 1.00 0.00 C ATOM 771 C GLU A 55 -11.261 -1.637 9.592 1.00 0.00 C ATOM 772 O GLU A 55 -12.284 -2.233 9.864 1.00 0.00 O ATOM 773 CB GLU A 55 -9.324 -1.774 11.123 1.00 0.00 C ATOM 774 CG GLU A 55 -9.432 -0.248 11.197 1.00 0.00 C ATOM 775 CD GLU A 55 -8.517 0.276 12.306 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.937 1.172 13.020 1.00 0.00 O ATOM 777 OE2 GLU A 55 -7.412 -0.226 12.422 1.00 0.00 O ATOM 0 H GLU A 55 -7.985 -1.907 8.896 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.989 -3.355 9.830 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.863 -2.226 11.956 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.281 -2.078 11.215 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.152 0.194 10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.463 0.045 11.393 1.00 0.00 H new ATOM 784 N SER A 56 -11.270 -0.442 9.079 1.00 0.00 N ATOM 785 CA SER A 56 -12.554 0.254 8.793 1.00 0.00 C ATOM 786 C SER A 56 -13.624 -0.792 8.476 1.00 0.00 C ATOM 787 O SER A 56 -14.752 -0.699 8.919 1.00 0.00 O ATOM 788 CB SER A 56 -12.357 1.166 7.582 1.00 0.00 C ATOM 789 OG SER A 56 -12.395 2.522 8.004 1.00 0.00 O ATOM 0 H SER A 56 -10.432 0.090 8.842 1.00 0.00 H new ATOM 0 HA SER A 56 -12.865 0.846 9.654 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.403 0.950 7.101 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.136 0.981 6.843 1.00 0.00 H new ATOM 0 HG SER A 56 -12.742 3.081 7.278 1.00 0.00 H new ATOM 795 N PHE A 57 -13.264 -1.799 7.719 1.00 0.00 N ATOM 796 CA PHE A 57 -14.245 -2.871 7.377 1.00 0.00 C ATOM 797 C PHE A 57 -13.723 -4.213 7.871 1.00 0.00 C ATOM 798 O PHE A 57 -13.933 -4.605 9.002 1.00 0.00 O ATOM 799 CB PHE A 57 -14.423 -2.947 5.865 1.00 0.00 C ATOM 800 CG PHE A 57 -15.359 -4.085 5.530 1.00 0.00 C ATOM 801 CD1 PHE A 57 -16.694 -4.040 5.954 1.00 0.00 C ATOM 802 CD2 PHE A 57 -14.897 -5.185 4.797 1.00 0.00 C ATOM 803 CE1 PHE A 57 -17.563 -5.092 5.645 1.00 0.00 C ATOM 804 CE2 PHE A 57 -15.765 -6.237 4.488 1.00 0.00 C ATOM 805 CZ PHE A 57 -17.099 -6.191 4.912 1.00 0.00 C ATOM 0 H PHE A 57 -12.332 -1.924 7.324 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.199 -2.641 7.851 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.825 -2.007 5.487 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.458 -3.099 5.381 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -17.052 -3.193 6.520 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.868 -5.221 4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -18.592 -5.056 5.972 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -15.407 -7.085 3.923 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.770 -7.003 4.674 1.00 0.00 H new ATOM 815 N ALA A 58 -13.033 -4.909 7.018 1.00 0.00 N ATOM 816 CA ALA A 58 -12.463 -6.236 7.394 1.00 0.00 C ATOM 817 C ALA A 58 -10.947 -6.162 7.248 1.00 0.00 C ATOM 818 O ALA A 58 -10.228 -7.096 7.542 1.00 0.00 O ATOM 819 CB ALA A 58 -13.015 -7.316 6.460 1.00 0.00 C ATOM 0 H ALA A 58 -12.835 -4.614 6.062 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.733 -6.485 8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.597 -8.284 6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.101 -7.351 6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.740 -7.083 5.431 1.00 0.00 H new ATOM 825 N ASP A 59 -10.466 -5.040 6.795 1.00 0.00 N ATOM 826 CA ASP A 59 -9.003 -4.858 6.617 1.00 0.00 C ATOM 827 C ASP A 59 -8.433 -5.963 5.730 1.00 0.00 C ATOM 828 O ASP A 59 -7.607 -6.744 6.161 1.00 0.00 O ATOM 829 CB ASP A 59 -8.304 -4.884 7.979 1.00 0.00 C ATOM 830 CG ASP A 59 -6.798 -4.718 7.783 1.00 0.00 C ATOM 831 OD1 ASP A 59 -6.065 -5.607 8.179 1.00 0.00 O ATOM 832 OD2 ASP A 59 -6.402 -3.697 7.244 1.00 0.00 O ATOM 0 H ASP A 59 -11.033 -4.232 6.538 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.829 -3.894 6.138 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.689 -4.085 8.612 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.513 -5.824 8.489 1.00 0.00 H new ATOM 837 N HIS A 60 -8.837 -6.026 4.483 1.00 0.00 N ATOM 838 CA HIS A 60 -8.269 -7.072 3.582 1.00 0.00 C ATOM 839 C HIS A 60 -6.757 -7.055 3.783 1.00 0.00 C ATOM 840 O HIS A 60 -6.066 -8.017 3.547 1.00 0.00 O ATOM 841 CB HIS A 60 -8.586 -6.731 2.114 1.00 0.00 C ATOM 842 CG HIS A 60 -9.636 -7.662 1.565 1.00 0.00 C ATOM 843 ND1 HIS A 60 -9.618 -9.015 1.339 1.00 0.00 N flip ATOM 844 CD2 HIS A 60 -10.897 -7.222 1.161 1.00 0.00 C flip ATOM 845 CE1 HIS A 60 -10.836 -9.413 0.808 1.00 0.00 C flip ATOM 846 NE2 HIS A 60 -11.570 -8.305 0.721 1.00 0.00 N flip ATOM 0 H HIS A 60 -9.526 -5.406 4.057 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.693 -8.050 3.810 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.933 -5.700 2.042 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.679 -6.804 1.514 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.264 -6.207 1.194 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.128 -10.413 0.524 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.525 -8.279 0.365 1.00 0.00 H new ATOM 854 N SER A 61 -6.258 -5.943 4.231 1.00 0.00 N ATOM 855 CA SER A 61 -4.795 -5.803 4.468 1.00 0.00 C ATOM 856 C SER A 61 -4.245 -7.048 5.167 1.00 0.00 C ATOM 857 O SER A 61 -3.106 -7.421 4.975 1.00 0.00 O ATOM 858 CB SER A 61 -4.564 -4.577 5.354 1.00 0.00 C ATOM 859 OG SER A 61 -3.297 -4.009 5.053 1.00 0.00 O ATOM 0 H SER A 61 -6.808 -5.111 4.447 1.00 0.00 H new ATOM 0 HA SER A 61 -4.281 -5.687 3.514 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.352 -3.842 5.190 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.607 -4.861 6.405 1.00 0.00 H new ATOM 0 HG SER A 61 -3.407 -3.058 4.841 1.00 0.00 H new ATOM 865 N THR A 62 -5.033 -7.688 5.986 1.00 0.00 N ATOM 866 CA THR A 62 -4.530 -8.892 6.697 1.00 0.00 C ATOM 867 C THR A 62 -4.780 -10.145 5.870 1.00 0.00 C ATOM 868 O THR A 62 -3.861 -10.808 5.444 1.00 0.00 O ATOM 869 CB THR A 62 -5.265 -9.052 8.024 1.00 0.00 C ATOM 870 OG1 THR A 62 -5.994 -7.868 8.313 1.00 0.00 O ATOM 871 CG2 THR A 62 -4.265 -9.331 9.150 1.00 0.00 C ATOM 0 H THR A 62 -5.998 -7.430 6.192 1.00 0.00 H new ATOM 0 HA THR A 62 -3.460 -8.764 6.862 1.00 0.00 H new ATOM 0 HB THR A 62 -5.955 -9.892 7.948 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.391 -7.096 8.282 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.801 -9.443 10.093 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.718 -10.248 8.932 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.564 -8.500 9.228 1.00 0.00 H new ATOM 879 N ILE A 63 -6.025 -10.492 5.670 1.00 0.00 N ATOM 880 CA ILE A 63 -6.324 -11.729 4.905 1.00 0.00 C ATOM 881 C ILE A 63 -5.689 -11.634 3.518 1.00 0.00 C ATOM 882 O ILE A 63 -5.230 -12.611 2.962 1.00 0.00 O ATOM 883 CB ILE A 63 -7.829 -11.925 4.768 1.00 0.00 C ATOM 884 CG1 ILE A 63 -8.462 -10.612 4.333 1.00 0.00 C ATOM 885 CG2 ILE A 63 -8.417 -12.363 6.111 1.00 0.00 C ATOM 886 CD1 ILE A 63 -9.849 -10.877 3.748 1.00 0.00 C ATOM 0 H ILE A 63 -6.839 -9.974 6.002 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.911 -12.583 5.442 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.033 -12.695 4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.539 -9.935 5.184 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.832 -10.122 3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.493 -12.502 6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.958 -13.302 6.421 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.220 -11.598 6.862 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.299 -9.934 3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.760 -11.538 2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -10.478 -11.348 4.503 1.00 0.00 H new ATOM 898 N HIS A 64 -5.657 -10.459 2.964 1.00 0.00 N ATOM 899 CA HIS A 64 -5.047 -10.283 1.617 1.00 0.00 C ATOM 900 C HIS A 64 -3.532 -10.435 1.732 1.00 0.00 C ATOM 901 O HIS A 64 -2.903 -11.095 0.929 1.00 0.00 O ATOM 902 CB HIS A 64 -5.374 -8.897 1.063 1.00 0.00 C ATOM 903 CG HIS A 64 -4.748 -8.764 -0.292 1.00 0.00 C ATOM 904 ND1 HIS A 64 -5.494 -8.755 -1.459 1.00 0.00 N ATOM 905 CD2 HIS A 64 -3.438 -8.663 -0.681 1.00 0.00 C ATOM 906 CE1 HIS A 64 -4.634 -8.656 -2.488 1.00 0.00 C ATOM 907 NE2 HIS A 64 -3.367 -8.599 -2.066 1.00 0.00 N ATOM 0 H HIS A 64 -6.028 -9.608 3.386 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.450 -11.037 0.941 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.453 -8.761 0.996 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.996 -8.123 1.732 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.510 -8.813 -1.526 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.590 -8.637 -0.012 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.930 -8.626 -3.526 1.00 0.00 H new ATOM 915 N ALA A 65 -2.938 -9.855 2.741 1.00 0.00 N ATOM 916 CA ALA A 65 -1.464 -10.005 2.909 1.00 0.00 C ATOM 917 C ALA A 65 -1.225 -11.415 3.419 1.00 0.00 C ATOM 918 O ALA A 65 -0.151 -11.968 3.335 1.00 0.00 O ATOM 919 CB ALA A 65 -0.949 -8.990 3.931 1.00 0.00 C ATOM 0 H ALA A 65 -3.405 -9.289 3.450 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.942 -9.831 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.128 -9.106 4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.170 -7.980 3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.438 -9.159 4.890 1.00 0.00 H new ATOM 925 N GLN A 66 -2.253 -11.974 3.967 1.00 0.00 N ATOM 926 CA GLN A 66 -2.211 -13.341 4.534 1.00 0.00 C ATOM 927 C GLN A 66 -2.421 -14.382 3.428 1.00 0.00 C ATOM 928 O GLN A 66 -1.903 -15.480 3.485 1.00 0.00 O ATOM 929 CB GLN A 66 -3.373 -13.401 5.519 1.00 0.00 C ATOM 930 CG GLN A 66 -3.687 -14.827 5.967 1.00 0.00 C ATOM 931 CD GLN A 66 -2.852 -15.182 7.201 1.00 0.00 C ATOM 932 OE1 GLN A 66 -3.300 -15.021 8.319 1.00 0.00 O ATOM 933 NE2 GLN A 66 -1.648 -15.661 7.043 1.00 0.00 N ATOM 0 H GLN A 66 -3.162 -11.520 4.049 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.252 -13.553 5.008 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.137 -12.793 6.392 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.259 -12.965 5.058 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.749 -14.920 6.197 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.473 -15.527 5.159 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.272 -15.796 6.105 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.083 -15.900 7.858 1.00 0.00 H new ATOM 942 N ALA A 67 -3.202 -14.051 2.436 1.00 0.00 N ATOM 943 CA ALA A 67 -3.482 -15.022 1.342 1.00 0.00 C ATOM 944 C ALA A 67 -2.431 -14.890 0.242 1.00 0.00 C ATOM 945 O ALA A 67 -1.961 -15.867 -0.305 1.00 0.00 O ATOM 946 CB ALA A 67 -4.873 -14.739 0.762 1.00 0.00 C ATOM 0 H ALA A 67 -3.660 -13.145 2.337 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.448 -16.036 1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.084 -15.447 -0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.623 -14.845 1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.903 -13.724 0.367 1.00 0.00 H new ATOM 952 N LYS A 68 -2.076 -13.683 -0.096 1.00 0.00 N ATOM 953 CA LYS A 68 -1.073 -13.468 -1.175 1.00 0.00 C ATOM 954 C LYS A 68 0.282 -13.140 -0.558 1.00 0.00 C ATOM 955 O LYS A 68 1.248 -12.874 -1.247 1.00 0.00 O ATOM 956 CB LYS A 68 -1.539 -12.314 -2.055 1.00 0.00 C ATOM 957 CG LYS A 68 -2.943 -12.627 -2.596 1.00 0.00 C ATOM 958 CD LYS A 68 -4.004 -11.979 -1.704 1.00 0.00 C ATOM 959 CE LYS A 68 -5.381 -12.136 -2.353 1.00 0.00 C ATOM 960 NZ LYS A 68 -5.482 -13.483 -2.984 1.00 0.00 N ATOM 0 H LYS A 68 -2.440 -12.831 0.331 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.974 -14.371 -1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.555 -11.387 -1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.843 -12.166 -2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.039 -12.257 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.096 -13.706 -2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.999 -12.444 -0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.777 -10.923 -1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.164 -12.014 -1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.532 -11.359 -3.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.484 -13.743 -3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.029 -13.463 -3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.004 -14.185 -2.383 1.00 0.00 H new ATOM 974 N LYS A 69 0.357 -13.171 0.738 1.00 0.00 N ATOM 975 CA LYS A 69 1.641 -12.880 1.431 1.00 0.00 C ATOM 976 C LYS A 69 2.160 -11.491 1.038 1.00 0.00 C ATOM 977 O LYS A 69 3.304 -11.163 1.281 1.00 0.00 O ATOM 978 CB LYS A 69 2.679 -13.950 1.058 1.00 0.00 C ATOM 979 CG LYS A 69 2.617 -15.112 2.061 1.00 0.00 C ATOM 980 CD LYS A 69 1.161 -15.563 2.258 1.00 0.00 C ATOM 981 CE LYS A 69 1.130 -17.045 2.640 1.00 0.00 C ATOM 982 NZ LYS A 69 2.215 -17.328 3.622 1.00 0.00 N ATOM 0 H LYS A 69 -0.425 -13.388 1.356 1.00 0.00 H new ATOM 0 HA LYS A 69 1.473 -12.895 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.488 -14.318 0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.678 -13.514 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.219 -15.946 1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.042 -14.802 3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.687 -14.966 3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.592 -15.401 1.342 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.161 -17.301 3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.259 -17.663 1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.976 -18.181 4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.110 -17.480 3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.317 -16.520 4.269 1.00 0.00 H new ATOM 996 N HIS A 70 1.330 -10.654 0.467 1.00 0.00 N ATOM 997 CA HIS A 70 1.806 -9.281 0.114 1.00 0.00 C ATOM 998 C HIS A 70 1.907 -8.486 1.419 1.00 0.00 C ATOM 999 O HIS A 70 0.932 -8.313 2.121 1.00 0.00 O ATOM 1000 CB HIS A 70 0.814 -8.615 -0.845 1.00 0.00 C ATOM 1001 CG HIS A 70 0.825 -9.357 -2.155 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -0.286 -9.421 -2.984 1.00 0.00 N ATOM 1003 CD2 HIS A 70 1.811 -10.071 -2.795 1.00 0.00 C ATOM 1004 CE1 HIS A 70 0.057 -10.148 -4.064 1.00 0.00 C ATOM 1005 NE2 HIS A 70 1.319 -10.566 -3.997 1.00 0.00 N ATOM 0 H HIS A 70 0.358 -10.857 0.233 1.00 0.00 H new ATOM 0 HA HIS A 70 2.775 -9.319 -0.384 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.188 -8.624 -0.416 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.085 -7.571 -1.001 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -1.196 -8.995 -2.807 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.813 -10.223 -2.421 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.610 -10.366 -4.885 1.00 0.00 H new ATOM 1013 N ASN A 71 3.083 -8.035 1.778 1.00 0.00 N ATOM 1014 CA ASN A 71 3.231 -7.299 3.067 1.00 0.00 C ATOM 1015 C ASN A 71 3.018 -5.798 2.873 1.00 0.00 C ATOM 1016 O ASN A 71 2.441 -5.135 3.710 1.00 0.00 O ATOM 1017 CB ASN A 71 4.637 -7.544 3.620 1.00 0.00 C ATOM 1018 CG ASN A 71 5.629 -7.687 2.463 1.00 0.00 C ATOM 1019 OD1 ASN A 71 6.167 -6.709 1.985 1.00 0.00 O ATOM 1020 ND2 ASN A 71 5.896 -8.874 1.992 1.00 0.00 N ATOM 0 H ASN A 71 3.941 -8.144 1.237 1.00 0.00 H new ATOM 0 HA ASN A 71 2.477 -7.663 3.765 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.933 -6.717 4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.645 -8.446 4.232 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.557 -8.980 1.222 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.444 -9.696 2.394 1.00 0.00 H new ATOM 1027 N LEU A 72 3.508 -5.249 1.800 1.00 0.00 N ATOM 1028 CA LEU A 72 3.367 -3.781 1.593 1.00 0.00 C ATOM 1029 C LEU A 72 1.999 -3.402 1.033 1.00 0.00 C ATOM 1030 O LEU A 72 1.516 -3.963 0.070 1.00 0.00 O ATOM 1031 CB LEU A 72 4.447 -3.308 0.630 1.00 0.00 C ATOM 1032 CG LEU A 72 5.811 -3.451 1.302 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.904 -3.331 0.245 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.997 -2.348 2.354 1.00 0.00 C ATOM 0 H LEU A 72 3.999 -5.750 1.059 1.00 0.00 H new ATOM 0 HA LEU A 72 3.471 -3.299 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.416 -3.895 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.273 -2.269 0.350 1.00 0.00 H new ATOM 0 HG LEU A 72 5.871 -4.423 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.881 -3.432 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.778 -4.117 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.835 -2.358 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.972 -2.458 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.935 -1.372 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.215 -2.430 3.109 1.00 0.00 H new ATOM 1046 N THR A 73 1.403 -2.412 1.630 1.00 0.00 N ATOM 1047 CA THR A 73 0.085 -1.904 1.167 1.00 0.00 C ATOM 1048 C THR A 73 0.053 -0.411 1.490 1.00 0.00 C ATOM 1049 O THR A 73 0.806 0.047 2.322 1.00 0.00 O ATOM 1050 CB THR A 73 -1.045 -2.625 1.908 1.00 0.00 C ATOM 1051 OG1 THR A 73 -1.103 -2.157 3.247 1.00 0.00 O ATOM 1052 CG2 THR A 73 -0.784 -4.132 1.907 1.00 0.00 C ATOM 0 H THR A 73 1.784 -1.922 2.439 1.00 0.00 H new ATOM 0 HA THR A 73 -0.051 -2.079 0.100 1.00 0.00 H new ATOM 0 HB THR A 73 -1.992 -2.423 1.407 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.017 -1.871 3.454 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.590 -4.641 2.435 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.739 -4.493 0.879 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.163 -4.338 2.406 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.779 0.363 0.845 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.781 1.831 1.143 1.00 0.00 C ATOM 1062 C VAL A 74 -2.160 2.297 1.604 1.00 0.00 C ATOM 1063 O VAL A 74 -3.161 2.088 0.946 1.00 0.00 O ATOM 1064 CB VAL A 74 -0.356 2.606 -0.111 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -1.069 2.034 -1.340 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -0.726 4.086 0.041 1.00 0.00 C ATOM 0 H VAL A 74 -1.446 0.054 0.138 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.075 2.023 1.951 1.00 0.00 H new ATOM 0 HB VAL A 74 0.723 2.511 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.764 2.588 -2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.804 0.983 -1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.147 2.123 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.422 4.631 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.804 4.180 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.216 4.501 0.910 1.00 0.00 H new ATOM 1076 N ASN A 75 -2.201 2.945 2.739 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.490 3.456 3.273 1.00 0.00 C ATOM 1078 C ASN A 75 -3.862 4.732 2.522 1.00 0.00 C ATOM 1079 O ASN A 75 -3.310 5.789 2.758 1.00 0.00 O ATOM 1080 CB ASN A 75 -3.342 3.761 4.767 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.727 3.869 5.406 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.696 4.169 4.736 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.864 3.635 6.681 1.00 0.00 N ATOM 0 H ASN A 75 -1.387 3.142 3.321 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.271 2.707 3.139 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.766 2.974 5.254 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.792 4.692 4.906 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.784 3.704 7.116 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.051 3.383 7.244 1.00 0.00 H new ATOM 1090 N LEU A 76 -4.789 4.639 1.616 1.00 0.00 N ATOM 1091 CA LEU A 76 -5.199 5.840 0.839 1.00 0.00 C ATOM 1092 C LEU A 76 -5.869 6.838 1.780 1.00 0.00 C ATOM 1093 O LEU A 76 -6.398 7.849 1.363 1.00 0.00 O ATOM 1094 CB LEU A 76 -6.176 5.421 -0.265 1.00 0.00 C ATOM 1095 CG LEU A 76 -5.681 4.116 -0.933 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -6.859 3.162 -1.207 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -4.962 4.445 -2.250 1.00 0.00 C ATOM 0 H LEU A 76 -5.284 3.780 1.378 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.325 6.306 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.171 5.271 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.260 6.213 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.987 3.622 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.488 2.251 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.350 2.911 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.574 3.648 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.616 3.522 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.651 4.955 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.108 5.091 -2.047 1.00 0.00 H new ATOM 1109 N THR A 77 -5.836 6.561 3.052 1.00 0.00 N ATOM 1110 CA THR A 77 -6.452 7.485 4.039 1.00 0.00 C ATOM 1111 C THR A 77 -5.412 8.511 4.473 1.00 0.00 C ATOM 1112 O THR A 77 -5.706 9.677 4.650 1.00 0.00 O ATOM 1113 CB THR A 77 -6.909 6.685 5.255 1.00 0.00 C ATOM 1114 OG1 THR A 77 -7.798 5.667 4.828 1.00 0.00 O ATOM 1115 CG2 THR A 77 -7.606 7.616 6.249 1.00 0.00 C ATOM 0 H THR A 77 -5.405 5.728 3.452 1.00 0.00 H new ATOM 0 HA THR A 77 -7.307 7.992 3.591 1.00 0.00 H new ATOM 0 HB THR A 77 -6.050 6.230 5.747 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.356 4.795 4.901 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.932 7.043 7.117 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.912 8.394 6.567 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.472 8.075 5.772 1.00 0.00 H new ATOM 1123 N THR A 78 -4.195 8.074 4.660 1.00 0.00 N ATOM 1124 CA THR A 78 -3.118 9.013 5.104 1.00 0.00 C ATOM 1125 C THR A 78 -1.986 9.089 4.071 1.00 0.00 C ATOM 1126 O THR A 78 -1.178 9.995 4.105 1.00 0.00 O ATOM 1127 CB THR A 78 -2.545 8.529 6.437 1.00 0.00 C ATOM 1128 OG1 THR A 78 -3.608 8.129 7.290 1.00 0.00 O ATOM 1129 CG2 THR A 78 -1.753 9.659 7.097 1.00 0.00 C ATOM 0 H THR A 78 -3.898 7.108 4.525 1.00 0.00 H new ATOM 0 HA THR A 78 -3.554 10.006 5.213 1.00 0.00 H new ATOM 0 HB THR A 78 -1.882 7.682 6.261 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.603 8.681 8.100 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.346 9.312 8.047 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.937 9.962 6.441 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.411 10.510 7.274 1.00 0.00 H new ATOM 1137 N PHE A 79 -1.917 8.158 3.159 1.00 0.00 N ATOM 1138 CA PHE A 79 -0.833 8.192 2.129 1.00 0.00 C ATOM 1139 C PHE A 79 0.484 7.667 2.720 1.00 0.00 C ATOM 1140 O PHE A 79 1.509 8.315 2.660 1.00 0.00 O ATOM 1141 CB PHE A 79 -0.639 9.631 1.623 1.00 0.00 C ATOM 1142 CG PHE A 79 -0.164 9.607 0.189 1.00 0.00 C ATOM 1143 CD1 PHE A 79 -1.093 9.531 -0.855 1.00 0.00 C ATOM 1144 CD2 PHE A 79 1.205 9.663 -0.095 1.00 0.00 C ATOM 1145 CE1 PHE A 79 -0.653 9.509 -2.184 1.00 0.00 C ATOM 1146 CE2 PHE A 79 1.646 9.641 -1.425 1.00 0.00 C ATOM 1147 CZ PHE A 79 0.716 9.565 -2.469 1.00 0.00 C ATOM 0 H PHE A 79 -2.564 7.373 3.080 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.123 7.552 1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.577 10.182 1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.087 10.152 2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.150 9.489 -0.635 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.922 9.723 0.711 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.370 9.449 -2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.703 9.683 -1.645 1.00 0.00 H new ATOM 0 HZ PHE A 79 1.055 9.550 -3.494 1.00 0.00 H new ATOM 1157 N ARG A 80 0.460 6.482 3.262 1.00 0.00 N ATOM 1158 CA ARG A 80 1.691 5.868 3.834 1.00 0.00 C ATOM 1159 C ARG A 80 1.629 4.378 3.523 1.00 0.00 C ATOM 1160 O ARG A 80 0.697 3.915 2.903 1.00 0.00 O ATOM 1161 CB ARG A 80 1.767 6.075 5.356 1.00 0.00 C ATOM 1162 CG ARG A 80 0.409 6.534 5.910 1.00 0.00 C ATOM 1163 CD ARG A 80 0.264 6.052 7.358 1.00 0.00 C ATOM 1164 NE ARG A 80 -1.093 6.386 7.879 1.00 0.00 N ATOM 1165 CZ ARG A 80 -1.271 6.634 9.150 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -2.462 6.925 9.596 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -0.262 6.586 9.976 1.00 0.00 N ATOM 0 H ARG A 80 -0.376 5.902 3.334 1.00 0.00 H new ATOM 0 HA ARG A 80 2.575 6.335 3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.067 5.146 5.840 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.530 6.817 5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.334 7.621 5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.400 6.134 5.299 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.426 4.975 7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.026 6.519 7.982 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.887 6.421 7.240 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.253 6.959 8.953 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.602 7.119 10.588 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.669 6.354 9.631 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.405 6.780 10.967 1.00 0.00 H new ATOM 1181 N LEU A 81 2.603 3.625 3.935 1.00 0.00 N ATOM 1182 CA LEU A 81 2.579 2.166 3.640 1.00 0.00 C ATOM 1183 C LEU A 81 2.547 1.367 4.931 1.00 0.00 C ATOM 1184 O LEU A 81 2.664 1.889 6.016 1.00 0.00 O ATOM 1185 CB LEU A 81 3.824 1.783 2.831 1.00 0.00 C ATOM 1186 CG LEU A 81 3.522 1.857 1.330 1.00 0.00 C ATOM 1187 CD1 LEU A 81 4.748 2.398 0.584 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.169 0.461 0.788 1.00 0.00 C ATOM 0 H LEU A 81 3.413 3.952 4.461 1.00 0.00 H new ATOM 0 HA LEU A 81 1.683 1.939 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.647 2.453 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.143 0.775 3.096 1.00 0.00 H new ATOM 0 HG LEU A 81 2.674 2.524 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.531 2.450 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.989 3.395 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.597 1.735 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.957 0.528 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.009 -0.215 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.291 0.080 1.309 1.00 0.00 H new ATOM 1200 N TRP A 82 2.396 0.091 4.794 1.00 0.00 N ATOM 1201 CA TRP A 82 2.355 -0.811 5.968 1.00 0.00 C ATOM 1202 C TRP A 82 2.868 -2.175 5.515 1.00 0.00 C ATOM 1203 O TRP A 82 2.234 -2.856 4.732 1.00 0.00 O ATOM 1204 CB TRP A 82 0.909 -0.930 6.471 1.00 0.00 C ATOM 1205 CG TRP A 82 0.881 -0.876 7.967 1.00 0.00 C ATOM 1206 CD1 TRP A 82 1.034 0.246 8.706 1.00 0.00 C ATOM 1207 CD2 TRP A 82 0.686 -1.967 8.916 1.00 0.00 C ATOM 1208 NE1 TRP A 82 0.949 -0.084 10.046 1.00 0.00 N ATOM 1209 CE2 TRP A 82 0.735 -1.435 10.227 1.00 0.00 C ATOM 1210 CE3 TRP A 82 0.476 -3.350 8.770 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 0.580 -2.247 11.352 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 0.320 -4.169 9.900 1.00 0.00 C ATOM 1213 CH2 TRP A 82 0.372 -3.619 11.187 1.00 0.00 C ATOM 0 H TRP A 82 2.296 -0.380 3.895 1.00 0.00 H new ATOM 0 HA TRP A 82 2.971 -0.425 6.780 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.304 -0.123 6.058 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.471 -1.866 6.124 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.196 1.239 8.313 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.034 0.589 10.808 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.434 -3.785 7.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.621 -1.818 12.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 0.159 -5.230 9.776 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.251 -4.255 12.052 1.00 0.00 H new ATOM 1224 N CYS A 83 4.018 -2.572 5.976 1.00 0.00 N ATOM 1225 CA CYS A 83 4.574 -3.878 5.547 1.00 0.00 C ATOM 1226 C CYS A 83 4.147 -4.968 6.517 1.00 0.00 C ATOM 1227 O CYS A 83 4.623 -5.026 7.622 1.00 0.00 O ATOM 1228 CB CYS A 83 6.100 -3.793 5.543 1.00 0.00 C ATOM 1229 SG CYS A 83 6.750 -4.800 4.192 1.00 0.00 S ATOM 0 H CYS A 83 4.596 -2.047 6.632 1.00 0.00 H new ATOM 0 HA CYS A 83 4.204 -4.115 4.549 1.00 0.00 H new ATOM 0 HB2 CYS A 83 6.418 -2.757 5.425 1.00 0.00 H new ATOM 0 HB3 CYS A 83 6.498 -4.142 6.496 1.00 0.00 H new ATOM 0 HG CYS A 83 7.796 -4.220 3.683 1.00 0.00 H new ATOM 1234 N TYR A 84 3.285 -5.855 6.114 1.00 0.00 N ATOM 1235 CA TYR A 84 2.899 -6.948 7.042 1.00 0.00 C ATOM 1236 C TYR A 84 4.115 -7.859 7.182 1.00 0.00 C ATOM 1237 O TYR A 84 4.093 -8.858 7.874 1.00 0.00 O ATOM 1238 CB TYR A 84 1.703 -7.728 6.479 1.00 0.00 C ATOM 1239 CG TYR A 84 0.877 -8.281 7.617 1.00 0.00 C ATOM 1240 CD1 TYR A 84 1.091 -9.589 8.068 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -0.100 -7.482 8.223 1.00 0.00 C ATOM 1242 CE1 TYR A 84 0.327 -10.098 9.125 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -0.863 -7.991 9.280 1.00 0.00 C ATOM 1244 CZ TYR A 84 -0.650 -9.298 9.732 1.00 0.00 C ATOM 1245 OH TYR A 84 -1.402 -9.800 10.774 1.00 0.00 O ATOM 0 H TYR A 84 2.837 -5.872 5.198 1.00 0.00 H new ATOM 0 HA TYR A 84 2.600 -6.550 8.012 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.091 -7.076 5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.053 -8.540 5.842 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.845 -10.205 7.601 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.265 -6.473 7.875 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.491 -11.107 9.473 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.617 -7.375 9.747 1.00 0.00 H new ATOM 0 HH TYR A 84 -2.033 -9.116 11.081 1.00 0.00 H new ATOM 1255 N ALA A 85 5.195 -7.482 6.543 1.00 0.00 N ATOM 1256 CA ALA A 85 6.451 -8.268 6.639 1.00 0.00 C ATOM 1257 C ALA A 85 7.345 -7.546 7.641 1.00 0.00 C ATOM 1258 O ALA A 85 7.525 -7.990 8.758 1.00 0.00 O ATOM 1259 CB ALA A 85 7.150 -8.336 5.278 1.00 0.00 C ATOM 0 H ALA A 85 5.254 -6.652 5.953 1.00 0.00 H new ATOM 0 HA ALA A 85 6.241 -9.290 6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.068 -8.916 5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.490 -8.813 4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.390 -7.327 4.941 1.00 0.00 H new ATOM 1265 N CYS A 86 7.857 -6.395 7.277 1.00 0.00 N ATOM 1266 CA CYS A 86 8.668 -5.627 8.244 1.00 0.00 C ATOM 1267 C CYS A 86 7.714 -5.247 9.364 1.00 0.00 C ATOM 1268 O CYS A 86 8.100 -4.797 10.425 1.00 0.00 O ATOM 1269 CB CYS A 86 9.225 -4.364 7.573 1.00 0.00 C ATOM 1270 SG CYS A 86 10.119 -4.821 6.069 1.00 0.00 S ATOM 0 H CYS A 86 7.744 -5.966 6.359 1.00 0.00 H new ATOM 0 HA CYS A 86 9.516 -6.203 8.614 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.412 -3.680 7.331 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.890 -3.839 8.258 1.00 0.00 H new ATOM 0 HG CYS A 86 9.268 -5.121 5.133 1.00 0.00 H new ATOM 1275 N GLU A 87 6.449 -5.451 9.108 1.00 0.00 N ATOM 1276 CA GLU A 87 5.398 -5.140 10.109 1.00 0.00 C ATOM 1277 C GLU A 87 5.624 -3.735 10.673 1.00 0.00 C ATOM 1278 O GLU A 87 5.873 -3.547 11.847 1.00 0.00 O ATOM 1279 CB GLU A 87 5.448 -6.205 11.206 1.00 0.00 C ATOM 1280 CG GLU A 87 4.123 -6.974 11.252 1.00 0.00 C ATOM 1281 CD GLU A 87 3.034 -6.080 11.849 1.00 0.00 C ATOM 1282 OE1 GLU A 87 3.253 -5.554 12.929 1.00 0.00 O ATOM 1283 OE2 GLU A 87 2.000 -5.937 11.218 1.00 0.00 O ATOM 0 H GLU A 87 6.097 -5.828 8.228 1.00 0.00 H new ATOM 0 HA GLU A 87 4.409 -5.154 9.651 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.271 -6.894 11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.639 -5.736 12.171 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.839 -7.290 10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.235 -7.878 11.851 1.00 0.00 H new ATOM 1290 N LYS A 88 5.522 -2.743 9.830 1.00 0.00 N ATOM 1291 CA LYS A 88 5.711 -1.337 10.290 1.00 0.00 C ATOM 1292 C LYS A 88 5.035 -0.392 9.296 1.00 0.00 C ATOM 1293 O LYS A 88 4.355 -0.822 8.389 1.00 0.00 O ATOM 1294 CB LYS A 88 7.206 -1.016 10.369 1.00 0.00 C ATOM 1295 CG LYS A 88 7.923 -1.643 9.174 1.00 0.00 C ATOM 1296 CD LYS A 88 9.369 -1.139 9.116 1.00 0.00 C ATOM 1297 CE LYS A 88 10.134 -1.611 10.358 1.00 0.00 C ATOM 1298 NZ LYS A 88 10.031 -0.578 11.427 1.00 0.00 N ATOM 0 H LYS A 88 5.315 -2.847 8.837 1.00 0.00 H new ATOM 0 HA LYS A 88 5.267 -1.212 11.278 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.358 0.063 10.373 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.623 -1.400 11.300 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.910 -2.730 9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.402 -1.389 8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.857 -1.510 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.382 -0.050 9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.726 -2.558 10.712 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.180 -1.788 10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.978 -0.208 11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.422 0.200 11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.620 -1.004 12.283 1.00 0.00 H new ATOM 1312 N GLU A 89 5.220 0.890 9.460 1.00 0.00 N ATOM 1313 CA GLU A 89 4.593 1.879 8.528 1.00 0.00 C ATOM 1314 C GLU A 89 5.698 2.571 7.729 1.00 0.00 C ATOM 1315 O GLU A 89 6.737 2.898 8.268 1.00 0.00 O ATOM 1316 CB GLU A 89 3.834 2.919 9.354 1.00 0.00 C ATOM 1317 CG GLU A 89 2.934 3.752 8.442 1.00 0.00 C ATOM 1318 CD GLU A 89 1.935 4.528 9.302 1.00 0.00 C ATOM 1319 OE1 GLU A 89 2.281 5.610 9.746 1.00 0.00 O ATOM 1320 OE2 GLU A 89 0.841 4.026 9.502 1.00 0.00 O ATOM 0 H GLU A 89 5.783 1.301 10.205 1.00 0.00 H new ATOM 0 HA GLU A 89 3.906 1.377 7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.234 2.423 10.117 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.539 3.567 9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.534 4.441 7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.405 3.105 7.742 1.00 0.00 H new ATOM 1327 N VAL A 90 5.509 2.795 6.450 1.00 0.00 N ATOM 1328 CA VAL A 90 6.596 3.461 5.671 1.00 0.00 C ATOM 1329 C VAL A 90 6.004 4.314 4.546 1.00 0.00 C ATOM 1330 O VAL A 90 5.005 3.986 3.960 1.00 0.00 O ATOM 1331 CB VAL A 90 7.529 2.385 5.082 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.749 2.204 5.991 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.776 1.053 4.979 1.00 0.00 C ATOM 0 H VAL A 90 4.670 2.552 5.924 1.00 0.00 H new ATOM 0 HA VAL A 90 7.163 4.114 6.334 1.00 0.00 H new ATOM 0 HB VAL A 90 7.856 2.700 4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.406 1.442 5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.289 3.148 6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.421 1.893 6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.437 0.293 4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.447 0.743 5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.908 1.175 4.330 1.00 0.00 H new ATOM 1343 N PHE A 91 6.634 5.407 4.240 1.00 0.00 N ATOM 1344 CA PHE A 91 6.141 6.296 3.150 1.00 0.00 C ATOM 1345 C PHE A 91 6.991 6.067 1.917 1.00 0.00 C ATOM 1346 O PHE A 91 8.025 5.430 1.979 1.00 0.00 O ATOM 1347 CB PHE A 91 6.319 7.756 3.539 1.00 0.00 C ATOM 1348 CG PHE A 91 5.475 8.077 4.751 1.00 0.00 C ATOM 1349 CD1 PHE A 91 5.823 7.557 6.003 1.00 0.00 C ATOM 1350 CD2 PHE A 91 4.348 8.897 4.622 1.00 0.00 C ATOM 1351 CE1 PHE A 91 5.043 7.855 7.126 1.00 0.00 C ATOM 1352 CE2 PHE A 91 3.567 9.195 5.746 1.00 0.00 C ATOM 1353 CZ PHE A 91 3.915 8.674 6.998 1.00 0.00 C ATOM 0 H PHE A 91 7.483 5.730 4.704 1.00 0.00 H new ATOM 0 HA PHE A 91 5.089 6.075 2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.368 7.958 3.753 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.034 8.400 2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.694 6.926 6.102 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.081 9.300 3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.311 7.453 8.092 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.697 9.827 5.647 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.313 8.904 7.865 1.00 0.00 H new ATOM 1363 N LEU A 92 6.589 6.602 0.800 1.00 0.00 N ATOM 1364 CA LEU A 92 7.408 6.434 -0.415 1.00 0.00 C ATOM 1365 C LEU A 92 8.866 6.661 -0.025 1.00 0.00 C ATOM 1366 O LEU A 92 9.170 7.419 0.874 1.00 0.00 O ATOM 1367 CB LEU A 92 6.983 7.453 -1.474 1.00 0.00 C ATOM 1368 CG LEU A 92 5.631 7.046 -2.067 1.00 0.00 C ATOM 1369 CD1 LEU A 92 4.539 7.153 -0.996 1.00 0.00 C ATOM 1370 CD2 LEU A 92 5.290 7.971 -3.239 1.00 0.00 C ATOM 0 H LEU A 92 5.733 7.144 0.682 1.00 0.00 H new ATOM 0 HA LEU A 92 7.277 5.435 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.912 8.446 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.735 7.509 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 92 5.688 6.016 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.580 6.862 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.780 6.492 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.480 8.181 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.328 7.682 -3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.237 9.001 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.062 7.889 -4.004 1.00 0.00 H new ATOM 1382 N GLU A 93 9.756 5.994 -0.677 1.00 0.00 N ATOM 1383 CA GLU A 93 11.207 6.130 -0.352 1.00 0.00 C ATOM 1384 C GLU A 93 11.616 7.610 -0.332 1.00 0.00 C ATOM 1385 O GLU A 93 12.771 7.937 -0.140 1.00 0.00 O ATOM 1386 CB GLU A 93 12.028 5.383 -1.402 1.00 0.00 C ATOM 1387 CG GLU A 93 11.529 5.756 -2.799 1.00 0.00 C ATOM 1388 CD GLU A 93 12.125 4.792 -3.826 1.00 0.00 C ATOM 1389 OE1 GLU A 93 11.357 4.156 -4.528 1.00 0.00 O ATOM 1390 OE2 GLU A 93 13.340 4.705 -3.892 1.00 0.00 O ATOM 0 H GLU A 93 9.547 5.346 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 93 11.393 5.705 0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.083 5.636 -1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.942 4.307 -1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.440 5.712 -2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.814 6.781 -3.037 1.00 0.00 H new ATOM 1397 N GLN A 94 10.685 8.504 -0.526 1.00 0.00 N ATOM 1398 CA GLN A 94 11.017 9.958 -0.516 1.00 0.00 C ATOM 1399 C GLN A 94 12.010 10.287 -1.634 1.00 0.00 C ATOM 1400 O GLN A 94 12.308 11.438 -1.881 1.00 0.00 O ATOM 1401 CB GLN A 94 11.624 10.351 0.825 1.00 0.00 C ATOM 1402 CG GLN A 94 10.810 9.727 1.962 1.00 0.00 C ATOM 1403 CD GLN A 94 11.380 10.182 3.306 1.00 0.00 C ATOM 1404 OE1 GLN A 94 12.577 10.164 3.509 1.00 0.00 O ATOM 1405 NE2 GLN A 94 10.567 10.594 4.240 1.00 0.00 N ATOM 0 H GLN A 94 9.702 8.288 -0.692 1.00 0.00 H new ATOM 0 HA GLN A 94 10.096 10.519 -0.676 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.659 10.015 0.879 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.635 11.436 0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.764 10.023 1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.840 8.640 1.891 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.561 10.609 4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.937 10.901 5.140 1.00 0.00 H new