USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 697 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 89 HIS : no HE2:sc= -4.03! C(o=-5.2!,f=-8.1!) USER MOD Set 1.2: A 93 SER OG : rot -150:sc= -1.15 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.639 K(o=0.64,f=0) USER MOD Single : A 17 MET CE :methyl -177:sc= 0 (180deg=-0.00554) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -5 K(o=-5,f=-8.8!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0163 (180deg=-0.171) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 28 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.6) USER MOD Single : A 31 SER OG : rot 180:sc= -0.429 USER MOD Single : A 40 LYS NZ :NH3+ 163:sc= 0.662 (180deg=0.505) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -2.25! C(o=-2.2!,f=-3.9!) USER MOD Single : A 49 SER OG : rot -61:sc= 0.364 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.44 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 60 SER OG : rot 24:sc= 0.202 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -3.92! C(o=-3.9!,f=-7.8!) USER MOD Single : A 76 ASN : amide:sc= -0.255 X(o=-0.25,f=-0.25) USER MOD Single : A 79 HIS : no HE2:sc= -10.9! C(o=-11!,f=-12!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc=-0.00106 K(o=-0.0011,f=-1.1) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ASP A 10 -5.879 17.524 -3.587 1.00 0.00 N ATOM 90 CA ASP A 10 -6.121 16.573 -4.666 1.00 0.00 C ATOM 91 C ASP A 10 -5.808 15.149 -4.216 1.00 0.00 C ATOM 92 O ASP A 10 -4.850 14.536 -4.685 1.00 0.00 O ATOM 93 CB ASP A 10 -5.277 16.932 -5.890 1.00 0.00 C ATOM 94 CG ASP A 10 -5.065 18.426 -6.029 1.00 0.00 C ATOM 95 OD1 ASP A 10 -5.993 19.191 -5.694 1.00 0.00 O ATOM 96 OD2 ASP A 10 -3.970 18.832 -6.474 1.00 0.00 O ATOM 0 HA ASP A 10 -7.176 16.626 -4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.309 16.436 -5.818 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.764 16.552 -6.788 1.00 0.00 H new ATOM 101 N ALA A 11 -6.623 14.630 -3.304 1.00 0.00 N ATOM 102 CA ALA A 11 -6.433 13.278 -2.791 1.00 0.00 C ATOM 103 C ALA A 11 -6.882 12.237 -3.811 1.00 0.00 C ATOM 104 O ALA A 11 -6.248 11.193 -3.965 1.00 0.00 O ATOM 105 CB ALA A 11 -7.190 13.099 -1.484 1.00 0.00 C ATOM 0 H ALA A 11 -7.421 15.125 -2.905 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.369 13.132 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.040 12.085 -1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.821 13.814 -0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.253 13.269 -1.653 1.00 0.00 H new ATOM 111 N ARG A 12 -7.978 12.527 -4.504 1.00 0.00 N ATOM 112 CA ARG A 12 -8.511 11.614 -5.508 1.00 0.00 C ATOM 113 C ARG A 12 -7.723 11.718 -6.810 1.00 0.00 C ATOM 114 O ARG A 12 -7.979 10.980 -7.762 1.00 0.00 O ATOM 115 CB ARG A 12 -9.989 11.915 -5.768 1.00 0.00 C ATOM 116 CG ARG A 12 -10.218 13.168 -6.596 1.00 0.00 C ATOM 117 CD ARG A 12 -11.608 13.742 -6.366 1.00 0.00 C ATOM 118 NE ARG A 12 -12.592 13.178 -7.286 1.00 0.00 N ATOM 119 CZ ARG A 12 -13.210 12.020 -7.081 1.00 0.00 C ATOM 120 NH1 ARG A 12 -12.948 11.308 -5.994 1.00 0.00 N ATOM 121 NH2 ARG A 12 -14.094 11.573 -7.964 1.00 0.00 N ATOM 0 H ARG A 12 -8.514 13.387 -4.389 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.416 10.598 -5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.440 11.064 -6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.503 12.022 -4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.467 13.916 -6.341 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.090 12.935 -7.653 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.917 13.544 -5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.578 14.825 -6.487 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.817 13.702 -8.132 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.270 11.649 -5.312 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.424 10.419 -5.839 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.299 12.119 -8.801 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.568 10.684 -7.806 1.00 0.00 H new ATOM 135 N ARG A 13 -6.765 12.638 -6.845 1.00 0.00 N ATOM 136 CA ARG A 13 -5.942 12.839 -8.031 1.00 0.00 C ATOM 137 C ARG A 13 -4.722 11.922 -8.008 1.00 0.00 C ATOM 138 O ARG A 13 -3.643 12.294 -8.472 1.00 0.00 O ATOM 139 CB ARG A 13 -5.494 14.299 -8.126 1.00 0.00 C ATOM 140 CG ARG A 13 -6.547 15.222 -8.714 1.00 0.00 C ATOM 141 CD ARG A 13 -7.774 15.309 -7.820 1.00 0.00 C ATOM 142 NE ARG A 13 -8.664 16.398 -8.215 1.00 0.00 N ATOM 143 CZ ARG A 13 -9.394 16.385 -9.325 1.00 0.00 C ATOM 144 NH1 ARG A 13 -9.342 15.344 -10.144 1.00 0.00 N ATOM 145 NH2 ARG A 13 -10.180 17.414 -9.616 1.00 0.00 N ATOM 0 H ARG A 13 -6.540 13.256 -6.065 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.544 12.593 -8.906 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.227 14.654 -7.130 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.593 14.355 -8.736 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.124 16.217 -8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.839 14.861 -9.700 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.318 14.365 -7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.460 15.455 -6.786 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.729 17.213 -7.605 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.741 14.550 -9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.903 15.336 -10.996 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.224 18.216 -8.987 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.740 17.403 -10.468 1.00 0.00 H new ATOM 159 N LEU A 14 -4.900 10.723 -7.464 1.00 0.00 N ATOM 160 CA LEU A 14 -3.815 9.752 -7.379 1.00 0.00 C ATOM 161 C LEU A 14 -4.214 8.431 -8.029 1.00 0.00 C ATOM 162 O LEU A 14 -5.398 8.153 -8.220 1.00 0.00 O ATOM 163 CB LEU A 14 -3.426 9.519 -5.918 1.00 0.00 C ATOM 164 CG LEU A 14 -2.450 10.529 -5.314 1.00 0.00 C ATOM 165 CD1 LEU A 14 -3.106 11.896 -5.191 1.00 0.00 C ATOM 166 CD2 LEU A 14 -1.956 10.048 -3.958 1.00 0.00 C ATOM 0 H LEU A 14 -5.786 10.400 -7.075 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.957 10.155 -7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.335 9.518 -5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.987 8.525 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.591 10.619 -5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.397 12.602 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.409 12.244 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.982 11.822 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.262 10.779 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.804 9.928 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.447 9.091 -4.075 1.00 0.00 H new ATOM 178 N THR A 15 -3.217 7.617 -8.363 1.00 0.00 N ATOM 179 CA THR A 15 -3.464 6.324 -8.990 1.00 0.00 C ATOM 180 C THR A 15 -2.543 5.252 -8.419 1.00 0.00 C ATOM 181 O THR A 15 -1.321 5.401 -8.427 1.00 0.00 O ATOM 182 CB THR A 15 -3.269 6.393 -10.516 1.00 0.00 C ATOM 183 OG1 THR A 15 -3.667 7.680 -11.003 1.00 0.00 O ATOM 184 CG2 THR A 15 -4.076 5.309 -11.214 1.00 0.00 C ATOM 0 H THR A 15 -2.231 7.830 -8.210 1.00 0.00 H new ATOM 0 HA THR A 15 -4.500 6.061 -8.776 1.00 0.00 H new ATOM 0 HB THR A 15 -2.213 6.234 -10.733 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.539 7.716 -11.974 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.922 5.378 -12.291 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.750 4.330 -10.863 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.134 5.442 -10.989 1.00 0.00 H new ATOM 192 N VAL A 16 -3.136 4.170 -7.925 1.00 0.00 N ATOM 193 CA VAL A 16 -2.368 3.072 -7.352 1.00 0.00 C ATOM 194 C VAL A 16 -2.009 2.039 -8.414 1.00 0.00 C ATOM 195 O VAL A 16 -2.862 1.274 -8.863 1.00 0.00 O ATOM 196 CB VAL A 16 -3.144 2.376 -6.217 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.366 1.178 -5.694 1.00 0.00 C ATOM 198 CG2 VAL A 16 -3.441 3.360 -5.096 1.00 0.00 C ATOM 0 H VAL A 16 -4.146 4.031 -7.910 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.454 3.504 -6.946 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.093 2.016 -6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.930 0.700 -4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.209 0.465 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.401 1.510 -5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.989 2.853 -4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.505 3.751 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.042 4.183 -5.484 1.00 0.00 H new ATOM 208 N MET A 17 -0.741 2.023 -8.812 1.00 0.00 N ATOM 209 CA MET A 17 -0.269 1.083 -9.821 1.00 0.00 C ATOM 210 C MET A 17 0.467 -0.086 -9.173 1.00 0.00 C ATOM 211 O MET A 17 0.670 -0.107 -7.959 1.00 0.00 O ATOM 212 CB MET A 17 0.652 1.790 -10.818 1.00 0.00 C ATOM 213 CG MET A 17 -0.054 2.846 -11.653 1.00 0.00 C ATOM 214 SD MET A 17 -1.141 2.131 -12.902 1.00 0.00 S ATOM 215 CE MET A 17 -1.581 3.591 -13.842 1.00 0.00 C ATOM 0 H MET A 17 -0.022 2.650 -8.451 1.00 0.00 H new ATOM 0 HA MET A 17 -1.137 0.694 -10.353 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.473 2.257 -10.274 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.093 1.047 -11.483 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.637 3.493 -10.997 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.690 3.475 -12.142 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.294 3.321 -14.621 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.031 4.329 -13.178 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.686 4.012 -14.300 1.00 0.00 H new ATOM 225 N SER A 18 0.864 -1.056 -9.991 1.00 0.00 N ATOM 226 CA SER A 18 1.574 -2.230 -9.496 1.00 0.00 C ATOM 227 C SER A 18 0.959 -2.726 -8.191 1.00 0.00 C ATOM 228 O SER A 18 1.668 -3.001 -7.222 1.00 0.00 O ATOM 229 CB SER A 18 3.054 -1.906 -9.285 1.00 0.00 C ATOM 230 OG SER A 18 3.711 -1.697 -10.523 1.00 0.00 O ATOM 0 H SER A 18 0.706 -1.052 -10.999 1.00 0.00 H new ATOM 0 HA SER A 18 1.485 -3.019 -10.242 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.150 -1.015 -8.664 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.535 -2.723 -8.747 1.00 0.00 H new ATOM 0 HG SER A 18 4.655 -1.490 -10.361 1.00 0.00 H new ATOM 236 N LEU A 19 -0.364 -2.839 -8.173 1.00 0.00 N ATOM 237 CA LEU A 19 -1.077 -3.302 -6.987 1.00 0.00 C ATOM 238 C LEU A 19 -1.630 -4.707 -7.198 1.00 0.00 C ATOM 239 O LEU A 19 -2.051 -5.059 -8.300 1.00 0.00 O ATOM 240 CB LEU A 19 -2.215 -2.339 -6.643 1.00 0.00 C ATOM 241 CG LEU A 19 -3.122 -2.758 -5.485 1.00 0.00 C ATOM 242 CD1 LEU A 19 -2.545 -2.290 -4.159 1.00 0.00 C ATOM 243 CD2 LEU A 19 -4.527 -2.208 -5.682 1.00 0.00 C ATOM 0 H LEU A 19 -0.965 -2.616 -8.966 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.371 -3.331 -6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.782 -1.367 -6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.832 -2.205 -7.531 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.179 -3.846 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.204 -2.597 -3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.560 -2.733 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.457 -1.204 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.158 -2.516 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.489 -1.120 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.942 -2.594 -6.613 1.00 0.00 H new ATOM 255 N GLN A 20 -1.628 -5.505 -6.135 1.00 0.00 N ATOM 256 CA GLN A 20 -2.132 -6.871 -6.205 1.00 0.00 C ATOM 257 C GLN A 20 -3.566 -6.950 -5.693 1.00 0.00 C ATOM 258 O GLN A 20 -3.952 -6.213 -4.786 1.00 0.00 O ATOM 259 CB GLN A 20 -1.236 -7.809 -5.393 1.00 0.00 C ATOM 260 CG GLN A 20 -1.226 -9.239 -5.910 1.00 0.00 C ATOM 261 CD GLN A 20 0.027 -9.994 -5.512 1.00 0.00 C ATOM 262 OE1 GLN A 20 0.647 -9.697 -4.491 1.00 0.00 O ATOM 263 NE2 GLN A 20 0.407 -10.978 -6.320 1.00 0.00 N ATOM 0 H GLN A 20 -1.283 -5.229 -5.216 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.121 -7.182 -7.250 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.217 -7.422 -5.400 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.570 -7.809 -4.355 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.100 -9.766 -5.527 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.310 -9.229 -6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.137 -11.190 -7.156 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.243 -11.521 -6.104 1.00 0.00 H new ATOM 272 N GLU A 21 -4.351 -7.847 -6.281 1.00 0.00 N ATOM 273 CA GLU A 21 -5.744 -8.020 -5.885 1.00 0.00 C ATOM 274 C GLU A 21 -5.947 -9.359 -5.182 1.00 0.00 C ATOM 275 O GLU A 21 -6.115 -9.413 -3.964 1.00 0.00 O ATOM 276 CB GLU A 21 -6.660 -7.928 -7.107 1.00 0.00 C ATOM 277 CG GLU A 21 -7.078 -6.508 -7.449 1.00 0.00 C ATOM 278 CD GLU A 21 -8.309 -6.459 -8.333 1.00 0.00 C ATOM 279 OE1 GLU A 21 -8.174 -6.701 -9.551 1.00 0.00 O ATOM 280 OE2 GLU A 21 -9.407 -6.180 -7.808 1.00 0.00 O ATOM 0 H GLU A 21 -4.046 -8.465 -7.033 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.999 -7.221 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.151 -8.365 -7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.553 -8.527 -6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.275 -5.959 -6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.254 -6.002 -7.952 1.00 0.00 H new ATOM 287 N SER A 22 -5.932 -10.437 -5.959 1.00 0.00 N ATOM 288 CA SER A 22 -6.119 -11.776 -5.413 1.00 0.00 C ATOM 289 C SER A 22 -4.862 -12.620 -5.603 1.00 0.00 C ATOM 290 O SER A 22 -4.936 -13.841 -5.740 1.00 0.00 O ATOM 291 CB SER A 22 -7.313 -12.460 -6.081 1.00 0.00 C ATOM 292 OG SER A 22 -7.221 -12.382 -7.493 1.00 0.00 O ATOM 0 H SER A 22 -5.792 -10.409 -6.969 1.00 0.00 H new ATOM 0 HA SER A 22 -6.315 -11.682 -4.345 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.356 -13.505 -5.773 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.238 -11.991 -5.747 1.00 0.00 H new ATOM 0 HG SER A 22 -7.995 -12.828 -7.896 1.00 0.00 H new ATOM 298 N GLY A 23 -3.708 -11.960 -5.610 1.00 0.00 N ATOM 299 CA GLY A 23 -2.452 -12.665 -5.784 1.00 0.00 C ATOM 300 C GLY A 23 -1.504 -12.456 -4.620 1.00 0.00 C ATOM 301 O GLY A 23 -0.398 -12.999 -4.605 1.00 0.00 O ATOM 0 H GLY A 23 -3.621 -10.950 -5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.650 -13.731 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.974 -12.327 -6.703 1.00 0.00 H new ATOM 305 N LEU A 24 -1.934 -11.666 -3.643 1.00 0.00 N ATOM 306 CA LEU A 24 -1.115 -11.385 -2.469 1.00 0.00 C ATOM 307 C LEU A 24 -0.542 -12.672 -1.884 1.00 0.00 C ATOM 308 O LEU A 24 -1.182 -13.723 -1.922 1.00 0.00 O ATOM 309 CB LEU A 24 -1.941 -10.653 -1.410 1.00 0.00 C ATOM 310 CG LEU A 24 -1.987 -9.130 -1.528 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.663 -8.520 -0.310 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.584 -8.566 -1.701 1.00 0.00 C ATOM 0 H LEU A 24 -2.846 -11.208 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.286 -10.748 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.962 -11.031 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.544 -10.909 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.572 -8.871 -2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.686 -7.435 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.682 -8.899 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.106 -8.788 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.636 -7.480 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.025 -8.836 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.135 -8.977 -2.605 1.00 0.00 H new ATOM 324 N LYS A 25 0.668 -12.582 -1.341 1.00 0.00 N ATOM 325 CA LYS A 25 1.327 -13.737 -0.745 1.00 0.00 C ATOM 326 C LYS A 25 1.591 -13.506 0.740 1.00 0.00 C ATOM 327 O LYS A 25 2.113 -12.463 1.133 1.00 0.00 O ATOM 328 CB LYS A 25 2.644 -14.029 -1.468 1.00 0.00 C ATOM 329 CG LYS A 25 2.473 -14.850 -2.734 1.00 0.00 C ATOM 330 CD LYS A 25 3.699 -15.702 -3.016 1.00 0.00 C ATOM 331 CE LYS A 25 3.700 -16.971 -2.178 1.00 0.00 C ATOM 332 NZ LYS A 25 2.667 -17.941 -2.638 1.00 0.00 N ATOM 0 H LYS A 25 1.212 -11.720 -1.302 1.00 0.00 H new ATOM 0 HA LYS A 25 0.664 -14.596 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.128 -13.085 -1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.312 -14.559 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.597 -15.492 -2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.289 -14.185 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.726 -15.963 -4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.600 -15.126 -2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.684 -17.438 -2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.520 -16.717 -1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.878 -18.883 -2.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.730 -17.633 -2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.670 -17.985 -3.677 1.00 0.00 H new ATOM 346 N VAL A 26 1.228 -14.487 1.561 1.00 0.00 N ATOM 347 CA VAL A 26 1.427 -14.391 3.002 1.00 0.00 C ATOM 348 C VAL A 26 2.892 -14.605 3.369 1.00 0.00 C ATOM 349 O VAL A 26 3.584 -15.416 2.756 1.00 0.00 O ATOM 350 CB VAL A 26 0.565 -15.420 3.757 1.00 0.00 C ATOM 351 CG1 VAL A 26 -0.913 -15.160 3.512 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.942 -16.835 3.346 1.00 0.00 C ATOM 0 H VAL A 26 0.795 -15.357 1.252 1.00 0.00 H new ATOM 0 HA VAL A 26 1.124 -13.387 3.298 1.00 0.00 H new ATOM 0 HB VAL A 26 0.756 -15.314 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.507 -15.897 4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.169 -14.160 3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.124 -15.237 2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.323 -17.549 3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.782 -16.958 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.992 -17.014 3.579 1.00 0.00 H new ATOM 362 N ASN A 27 3.357 -13.870 4.374 1.00 0.00 N ATOM 363 CA ASN A 27 4.740 -13.979 4.823 1.00 0.00 C ATOM 364 C ASN A 27 5.707 -13.601 3.705 1.00 0.00 C ATOM 365 O ASN A 27 6.775 -14.197 3.567 1.00 0.00 O ATOM 366 CB ASN A 27 5.032 -15.402 5.305 1.00 0.00 C ATOM 367 CG ASN A 27 4.087 -15.844 6.405 1.00 0.00 C ATOM 368 OD1 ASN A 27 3.802 -15.090 7.335 1.00 0.00 O ATOM 369 ND2 ASN A 27 3.595 -17.074 6.303 1.00 0.00 N ATOM 0 H ASN A 27 2.797 -13.193 4.892 1.00 0.00 H new ATOM 0 HA ASN A 27 4.882 -13.285 5.652 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.954 -16.091 4.464 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.058 -15.457 5.668 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.954 -17.427 7.013 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.859 -17.665 5.515 1.00 0.00 H new ATOM 376 N GLN A 28 5.324 -12.606 2.910 1.00 0.00 N ATOM 377 CA GLN A 28 6.157 -12.149 1.805 1.00 0.00 C ATOM 378 C GLN A 28 6.060 -10.636 1.640 1.00 0.00 C ATOM 379 O GLN A 28 4.985 -10.044 1.737 1.00 0.00 O ATOM 380 CB GLN A 28 5.744 -12.843 0.506 1.00 0.00 C ATOM 381 CG GLN A 28 5.958 -11.990 -0.735 1.00 0.00 C ATOM 382 CD GLN A 28 5.813 -12.782 -2.019 1.00 0.00 C ATOM 383 OE1 GLN A 28 5.040 -12.416 -2.904 1.00 0.00 O ATOM 384 NE2 GLN A 28 6.559 -13.876 -2.128 1.00 0.00 N ATOM 0 H GLN A 28 4.443 -12.102 3.011 1.00 0.00 H new ATOM 0 HA GLN A 28 7.192 -12.406 2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.310 -13.769 0.402 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.691 -13.119 0.570 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.240 -11.170 -0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.952 -11.544 -0.698 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.187 -14.143 -1.370 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.504 -14.449 -2.970 1.00 0.00 H new ATOM 393 N PRO A 29 7.210 -9.993 1.385 1.00 0.00 N ATOM 394 CA PRO A 29 7.280 -8.540 1.201 1.00 0.00 C ATOM 395 C PRO A 29 6.625 -8.088 -0.099 1.00 0.00 C ATOM 396 O PRO A 29 7.043 -8.485 -1.187 1.00 0.00 O ATOM 397 CB PRO A 29 8.785 -8.260 1.168 1.00 0.00 C ATOM 398 CG PRO A 29 9.398 -9.537 0.708 1.00 0.00 C ATOM 399 CD PRO A 29 8.529 -10.635 1.256 1.00 0.00 C ATOM 0 HA PRO A 29 6.749 -8.003 1.987 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.020 -7.441 0.489 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.156 -7.975 2.152 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.441 -9.580 -0.380 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.421 -9.632 1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.494 -11.493 0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.896 -10.996 2.217 1.00 0.00 H new ATOM 407 N ALA A 30 5.597 -7.255 0.020 1.00 0.00 N ATOM 408 CA ALA A 30 4.886 -6.747 -1.147 1.00 0.00 C ATOM 409 C ALA A 30 4.766 -5.228 -1.098 1.00 0.00 C ATOM 410 O ALA A 30 4.438 -4.654 -0.059 1.00 0.00 O ATOM 411 CB ALA A 30 3.507 -7.384 -1.244 1.00 0.00 C ATOM 0 H ALA A 30 5.238 -6.917 0.913 1.00 0.00 H new ATOM 0 HA ALA A 30 5.460 -7.012 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.988 -6.995 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.611 -8.465 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.933 -7.148 -0.348 1.00 0.00 H new ATOM 417 N SER A 31 5.034 -4.581 -2.228 1.00 0.00 N ATOM 418 CA SER A 31 4.961 -3.127 -2.312 1.00 0.00 C ATOM 419 C SER A 31 4.309 -2.691 -3.621 1.00 0.00 C ATOM 420 O SER A 31 4.156 -3.487 -4.547 1.00 0.00 O ATOM 421 CB SER A 31 6.359 -2.517 -2.198 1.00 0.00 C ATOM 422 OG SER A 31 6.331 -1.125 -2.461 1.00 0.00 O ATOM 0 H SER A 31 5.304 -5.041 -3.098 1.00 0.00 H new ATOM 0 HA SER A 31 4.348 -2.770 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.756 -2.693 -1.198 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.032 -3.009 -2.900 1.00 0.00 H new ATOM 0 HG SER A 31 7.236 -0.759 -2.380 1.00 0.00 H new ATOM 428 N PHE A 32 3.926 -1.420 -3.689 1.00 0.00 N ATOM 429 CA PHE A 32 3.289 -0.877 -4.883 1.00 0.00 C ATOM 430 C PHE A 32 3.727 0.565 -5.125 1.00 0.00 C ATOM 431 O PHE A 32 4.308 1.204 -4.248 1.00 0.00 O ATOM 432 CB PHE A 32 1.767 -0.944 -4.751 1.00 0.00 C ATOM 433 CG PHE A 32 1.254 -0.408 -3.444 1.00 0.00 C ATOM 434 CD1 PHE A 32 0.949 0.936 -3.304 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.079 -1.249 -2.357 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.477 1.432 -2.103 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.607 -0.758 -1.154 1.00 0.00 C ATOM 438 CZ PHE A 32 0.307 0.584 -1.027 1.00 0.00 C ATOM 0 H PHE A 32 4.046 -0.747 -2.932 1.00 0.00 H new ATOM 0 HA PHE A 32 3.599 -1.481 -5.736 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.314 -0.382 -5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.446 -1.980 -4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.081 1.604 -4.142 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.314 -2.299 -2.450 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.242 2.482 -2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.473 -1.423 -0.314 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.060 0.970 -0.087 1.00 0.00 H new ATOM 448 N ALA A 33 3.444 1.071 -6.321 1.00 0.00 N ATOM 449 CA ALA A 33 3.806 2.437 -6.678 1.00 0.00 C ATOM 450 C ALA A 33 2.571 3.328 -6.759 1.00 0.00 C ATOM 451 O ALA A 33 1.553 2.943 -7.334 1.00 0.00 O ATOM 452 CB ALA A 33 4.560 2.454 -7.999 1.00 0.00 C ATOM 0 H ALA A 33 2.965 0.555 -7.059 1.00 0.00 H new ATOM 0 HA ALA A 33 4.456 2.832 -5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.824 3.480 -8.254 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.468 1.857 -7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.929 2.036 -8.784 1.00 0.00 H new ATOM 458 N ILE A 34 2.669 4.521 -6.181 1.00 0.00 N ATOM 459 CA ILE A 34 1.560 5.466 -6.189 1.00 0.00 C ATOM 460 C ILE A 34 1.834 6.626 -7.141 1.00 0.00 C ATOM 461 O ILE A 34 2.719 7.446 -6.898 1.00 0.00 O ATOM 462 CB ILE A 34 1.287 6.026 -4.781 1.00 0.00 C ATOM 463 CG1 ILE A 34 1.168 4.885 -3.769 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.024 6.874 -4.783 1.00 0.00 C ATOM 465 CD1 ILE A 34 1.056 5.357 -2.336 1.00 0.00 C ATOM 0 H ILE A 34 3.505 4.855 -5.702 1.00 0.00 H new ATOM 0 HA ILE A 34 0.681 4.919 -6.530 1.00 0.00 H new ATOM 0 HB ILE A 34 2.125 6.659 -4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.293 4.283 -4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.038 4.235 -3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.155 7.262 -3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.145 7.705 -5.478 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.824 6.263 -5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.975 4.495 -1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.942 5.934 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.170 5.982 -2.227 1.00 0.00 H new ATOM 477 N ARG A 35 1.067 6.689 -8.225 1.00 0.00 N ATOM 478 CA ARG A 35 1.226 7.748 -9.213 1.00 0.00 C ATOM 479 C ARG A 35 0.617 9.055 -8.712 1.00 0.00 C ATOM 480 O ARG A 35 -0.522 9.083 -8.244 1.00 0.00 O ATOM 481 CB ARG A 35 0.572 7.343 -10.536 1.00 0.00 C ATOM 482 CG ARG A 35 0.103 8.524 -11.370 1.00 0.00 C ATOM 483 CD ARG A 35 0.018 8.166 -12.845 1.00 0.00 C ATOM 484 NE ARG A 35 0.183 9.336 -13.703 1.00 0.00 N ATOM 485 CZ ARG A 35 1.333 9.987 -13.845 1.00 0.00 C ATOM 486 NH1 ARG A 35 2.413 9.583 -13.190 1.00 0.00 N ATOM 487 NH2 ARG A 35 1.404 11.043 -14.644 1.00 0.00 N ATOM 0 H ARG A 35 0.329 6.018 -8.441 1.00 0.00 H new ATOM 0 HA ARG A 35 2.293 7.902 -9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.283 6.757 -11.119 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.280 6.695 -10.327 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.874 8.854 -11.018 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.789 9.360 -11.237 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.786 7.430 -13.084 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.946 7.699 -13.050 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.629 9.672 -14.222 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.363 8.771 -12.575 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.294 10.085 -13.301 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.576 11.356 -15.150 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.287 11.542 -14.752 1.00 0.00 H new ATOM 501 N LEU A 36 1.384 10.135 -8.812 1.00 0.00 N ATOM 502 CA LEU A 36 0.921 11.446 -8.369 1.00 0.00 C ATOM 503 C LEU A 36 0.648 12.358 -9.560 1.00 0.00 C ATOM 504 O LEU A 36 1.562 12.718 -10.302 1.00 0.00 O ATOM 505 CB LEU A 36 1.958 12.089 -7.447 1.00 0.00 C ATOM 506 CG LEU A 36 2.542 11.186 -6.359 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.663 11.898 -5.619 1.00 0.00 C ATOM 508 CD2 LEU A 36 1.454 10.747 -5.390 1.00 0.00 C ATOM 0 H LEU A 36 2.329 10.129 -9.196 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.010 11.309 -7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.778 12.462 -8.060 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.501 12.954 -6.966 1.00 0.00 H new ATOM 0 HG LEU A 36 2.957 10.297 -6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.066 11.240 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.454 12.161 -6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.274 12.804 -5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.887 10.105 -4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.009 11.624 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.685 10.196 -5.932 1.00 0.00 H new ATOM 520 N ASN A 37 -0.616 12.731 -9.736 1.00 0.00 N ATOM 521 CA ASN A 37 -1.009 13.603 -10.837 1.00 0.00 C ATOM 522 C ASN A 37 -0.839 15.071 -10.455 1.00 0.00 C ATOM 523 O ASN A 37 -1.496 15.948 -11.013 1.00 0.00 O ATOM 524 CB ASN A 37 -2.462 13.333 -11.234 1.00 0.00 C ATOM 525 CG ASN A 37 -2.652 11.948 -11.821 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.535 11.753 -13.031 1.00 0.00 O ATOM 527 ND2 ASN A 37 -2.948 10.978 -10.964 1.00 0.00 N ATOM 0 H ASN A 37 -1.385 12.443 -9.131 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.361 13.389 -11.687 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.102 13.445 -10.359 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.782 14.080 -11.960 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.088 10.025 -11.301 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.035 11.185 -9.969 1.00 0.00 H new ATOM 534 N GLY A 38 0.049 15.329 -9.500 1.00 0.00 N ATOM 535 CA GLY A 38 0.291 16.691 -9.060 1.00 0.00 C ATOM 536 C GLY A 38 -0.371 16.997 -7.731 1.00 0.00 C ATOM 537 O GLY A 38 -0.793 18.126 -7.485 1.00 0.00 O ATOM 0 H GLY A 38 0.605 14.619 -9.023 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.365 16.856 -8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.079 17.385 -9.815 1.00 0.00 H new ATOM 541 N ALA A 39 -0.463 15.987 -6.871 1.00 0.00 N ATOM 542 CA ALA A 39 -1.077 16.154 -5.560 1.00 0.00 C ATOM 543 C ALA A 39 -0.030 16.473 -4.499 1.00 0.00 C ATOM 544 O ALA A 39 0.912 15.708 -4.291 1.00 0.00 O ATOM 545 CB ALA A 39 -1.854 14.902 -5.178 1.00 0.00 C ATOM 0 H ALA A 39 -0.120 15.045 -7.059 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.768 16.995 -5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.307 15.040 -4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.635 14.719 -5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.177 14.049 -5.148 1.00 0.00 H new ATOM 551 N LYS A 40 -0.199 17.609 -3.831 1.00 0.00 N ATOM 552 CA LYS A 40 0.732 18.031 -2.790 1.00 0.00 C ATOM 553 C LYS A 40 0.075 17.970 -1.415 1.00 0.00 C ATOM 554 O LYS A 40 -1.084 18.351 -1.253 1.00 0.00 O ATOM 555 CB LYS A 40 1.229 19.451 -3.067 1.00 0.00 C ATOM 556 CG LYS A 40 2.270 19.527 -4.171 1.00 0.00 C ATOM 557 CD LYS A 40 1.632 19.425 -5.547 1.00 0.00 C ATOM 558 CE LYS A 40 1.079 20.765 -6.005 1.00 0.00 C ATOM 559 NZ LYS A 40 0.647 20.729 -7.430 1.00 0.00 N ATOM 0 H LYS A 40 -0.972 18.255 -3.992 1.00 0.00 H new ATOM 0 HA LYS A 40 1.581 17.347 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.379 20.078 -3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.652 19.864 -2.151 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.818 20.466 -4.092 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.995 18.723 -4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.370 19.070 -6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.829 18.688 -5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.233 21.043 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.839 21.535 -5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.025 21.540 -7.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.483 20.777 -8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.131 19.845 -7.614 1.00 0.00 H new ATOM 573 N GLY A 41 0.823 17.490 -0.427 1.00 0.00 N ATOM 574 CA GLY A 41 0.296 17.390 0.922 1.00 0.00 C ATOM 575 C GLY A 41 1.047 16.378 1.764 1.00 0.00 C ATOM 576 O GLY A 41 2.232 16.553 2.049 1.00 0.00 O ATOM 0 H GLY A 41 1.785 17.168 -0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.347 18.367 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.757 17.111 0.878 1.00 0.00 H new ATOM 580 N LYS A 42 0.357 15.317 2.167 1.00 0.00 N ATOM 581 CA LYS A 42 0.965 14.272 2.982 1.00 0.00 C ATOM 582 C LYS A 42 0.518 12.890 2.517 1.00 0.00 C ATOM 583 O LYS A 42 -0.661 12.668 2.242 1.00 0.00 O ATOM 584 CB LYS A 42 0.599 14.469 4.455 1.00 0.00 C ATOM 585 CG LYS A 42 1.287 13.488 5.389 1.00 0.00 C ATOM 586 CD LYS A 42 2.755 13.832 5.576 1.00 0.00 C ATOM 587 CE LYS A 42 2.939 14.971 6.567 1.00 0.00 C ATOM 588 NZ LYS A 42 4.367 15.370 6.694 1.00 0.00 N ATOM 0 H LYS A 42 -0.625 15.158 1.942 1.00 0.00 H new ATOM 0 HA LYS A 42 2.047 14.341 2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.859 15.485 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.481 14.370 4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.785 13.493 6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.197 12.478 4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.294 12.952 5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.190 14.110 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.349 15.830 6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.558 14.669 7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.450 16.149 7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.926 14.558 7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.724 15.683 5.769 1.00 0.00 H new ATOM 602 N ILE A 43 1.468 11.964 2.433 1.00 0.00 N ATOM 603 CA ILE A 43 1.171 10.603 2.004 1.00 0.00 C ATOM 604 C ILE A 43 1.247 9.628 3.174 1.00 0.00 C ATOM 605 O ILE A 43 2.276 9.523 3.841 1.00 0.00 O ATOM 606 CB ILE A 43 2.138 10.137 0.899 1.00 0.00 C ATOM 607 CG1 ILE A 43 2.091 11.100 -0.289 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.794 8.723 0.456 1.00 0.00 C ATOM 609 CD1 ILE A 43 3.225 10.904 -1.271 1.00 0.00 C ATOM 0 H ILE A 43 2.449 12.132 2.656 1.00 0.00 H new ATOM 0 HA ILE A 43 0.156 10.612 1.607 1.00 0.00 H new ATOM 0 HB ILE A 43 3.151 10.134 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.143 10.974 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.116 12.124 0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.486 8.408 -0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.874 8.046 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.775 8.701 0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.128 11.620 -2.087 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.177 11.059 -0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.189 9.891 -1.671 1.00 0.00 H new ATOM 621 N ASP A 44 0.151 8.917 3.416 1.00 0.00 N ATOM 622 CA ASP A 44 0.094 7.948 4.505 1.00 0.00 C ATOM 623 C ASP A 44 -0.592 6.663 4.053 1.00 0.00 C ATOM 624 O ASP A 44 -1.632 6.701 3.396 1.00 0.00 O ATOM 625 CB ASP A 44 -0.646 8.541 5.705 1.00 0.00 C ATOM 626 CG ASP A 44 0.261 9.374 6.590 1.00 0.00 C ATOM 627 OD1 ASP A 44 0.392 10.588 6.328 1.00 0.00 O ATOM 628 OD2 ASP A 44 0.840 8.813 7.543 1.00 0.00 O ATOM 0 H ASP A 44 -0.709 8.993 2.873 1.00 0.00 H new ATOM 0 HA ASP A 44 1.116 7.709 4.800 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.471 9.159 5.350 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.083 7.734 6.294 1.00 0.00 H new ATOM 633 N ALA A 45 -0.002 5.527 4.408 1.00 0.00 N ATOM 634 CA ALA A 45 -0.557 4.230 4.039 1.00 0.00 C ATOM 635 C ALA A 45 -0.428 3.232 5.185 1.00 0.00 C ATOM 636 O ALA A 45 0.677 2.827 5.549 1.00 0.00 O ATOM 637 CB ALA A 45 0.132 3.696 2.792 1.00 0.00 C ATOM 0 H ALA A 45 0.860 5.478 4.951 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.617 4.364 3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.292 2.727 2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.016 4.394 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.199 3.584 2.985 1.00 0.00 H new ATOM 643 N LYS A 46 -1.563 2.839 5.752 1.00 0.00 N ATOM 644 CA LYS A 46 -1.578 1.888 6.857 1.00 0.00 C ATOM 645 C LYS A 46 -2.347 0.626 6.478 1.00 0.00 C ATOM 646 O LYS A 46 -3.293 0.675 5.691 1.00 0.00 O ATOM 647 CB LYS A 46 -2.206 2.526 8.098 1.00 0.00 C ATOM 648 CG LYS A 46 -1.242 3.394 8.889 1.00 0.00 C ATOM 649 CD LYS A 46 -1.231 4.824 8.377 1.00 0.00 C ATOM 650 CE LYS A 46 -0.851 5.806 9.475 1.00 0.00 C ATOM 651 NZ LYS A 46 -2.011 6.139 10.348 1.00 0.00 N ATOM 0 H LYS A 46 -2.486 3.165 5.464 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.547 1.612 7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.060 3.131 7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.589 1.738 8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.524 3.386 9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.238 2.976 8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.526 4.910 7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.215 5.079 7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.051 5.381 10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.460 6.719 9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.711 6.811 11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.765 6.568 9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.368 5.271 10.797 1.00 0.00 H new ATOM 665 N VAL A 47 -1.935 -0.505 7.043 1.00 0.00 N ATOM 666 CA VAL A 47 -2.586 -1.779 6.766 1.00 0.00 C ATOM 667 C VAL A 47 -3.500 -2.190 7.915 1.00 0.00 C ATOM 668 O VAL A 47 -3.040 -2.436 9.031 1.00 0.00 O ATOM 669 CB VAL A 47 -1.554 -2.896 6.522 1.00 0.00 C ATOM 670 CG1 VAL A 47 -0.787 -3.204 7.799 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.237 -4.145 5.985 1.00 0.00 C ATOM 0 H VAL A 47 -1.153 -0.564 7.695 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.181 -1.640 5.863 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.841 -2.550 5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.063 -3.996 7.607 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.265 -2.308 8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.483 -3.529 8.572 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.493 -4.924 5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.974 -4.496 6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.735 -3.911 5.044 1.00 0.00 H new ATOM 681 N HIS A 48 -4.797 -2.264 7.635 1.00 0.00 N ATOM 682 CA HIS A 48 -5.777 -2.646 8.645 1.00 0.00 C ATOM 683 C HIS A 48 -5.859 -4.164 8.776 1.00 0.00 C ATOM 684 O HIS A 48 -5.460 -4.897 7.870 1.00 0.00 O ATOM 685 CB HIS A 48 -7.153 -2.079 8.293 1.00 0.00 C ATOM 686 CG HIS A 48 -7.241 -0.590 8.436 1.00 0.00 C ATOM 687 ND1 HIS A 48 -7.737 0.029 9.564 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.891 0.403 7.586 1.00 0.00 C ATOM 689 CE1 HIS A 48 -7.691 1.339 9.400 1.00 0.00 C ATOM 690 NE2 HIS A 48 -7.180 1.592 8.209 1.00 0.00 N ATOM 0 H HIS A 48 -5.194 -2.064 6.717 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.456 -2.232 9.601 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.398 -2.352 7.267 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.903 -2.542 8.934 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -8.085 -0.450 10.395 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.464 0.283 6.601 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.016 2.077 10.118 1.00 0.00 H new ATOM 698 N SER A 49 -6.376 -4.629 9.908 1.00 0.00 N ATOM 699 CA SER A 49 -6.505 -6.060 10.159 1.00 0.00 C ATOM 700 C SER A 49 -7.853 -6.380 10.799 1.00 0.00 C ATOM 701 O SER A 49 -8.459 -5.551 11.478 1.00 0.00 O ATOM 702 CB SER A 49 -5.370 -6.545 11.063 1.00 0.00 C ATOM 703 OG SER A 49 -5.401 -5.887 12.318 1.00 0.00 O ATOM 0 H SER A 49 -6.713 -4.036 10.666 1.00 0.00 H new ATOM 0 HA SER A 49 -6.445 -6.579 9.202 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.454 -7.622 11.211 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.411 -6.364 10.577 1.00 0.00 H new ATOM 0 HG SER A 49 -5.281 -4.924 12.185 1.00 0.00 H new ATOM 709 N PRO A 50 -8.334 -7.612 10.578 1.00 0.00 N ATOM 710 CA PRO A 50 -9.614 -8.072 11.125 1.00 0.00 C ATOM 711 C PRO A 50 -9.567 -8.255 12.638 1.00 0.00 C ATOM 712 O PRO A 50 -10.550 -8.666 13.254 1.00 0.00 O ATOM 713 CB PRO A 50 -9.834 -9.418 10.430 1.00 0.00 C ATOM 714 CG PRO A 50 -8.465 -9.890 10.077 1.00 0.00 C ATOM 715 CD PRO A 50 -7.665 -8.653 9.779 1.00 0.00 C ATOM 0 HA PRO A 50 -10.413 -7.351 10.951 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.339 -10.125 11.088 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.456 -9.308 9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.022 -10.453 10.899 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.492 -10.555 9.214 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.620 -8.771 10.067 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.677 -8.413 8.716 1.00 0.00 H new ATOM 723 N SER A 51 -8.417 -7.947 13.231 1.00 0.00 N ATOM 724 CA SER A 51 -8.241 -8.081 14.672 1.00 0.00 C ATOM 725 C SER A 51 -8.554 -6.767 15.382 1.00 0.00 C ATOM 726 O SER A 51 -8.910 -6.754 16.560 1.00 0.00 O ATOM 727 CB SER A 51 -6.811 -8.519 14.994 1.00 0.00 C ATOM 728 OG SER A 51 -6.623 -8.661 16.391 1.00 0.00 O ATOM 0 H SER A 51 -7.594 -7.603 12.736 1.00 0.00 H new ATOM 0 HA SER A 51 -8.936 -8.842 15.029 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.597 -9.465 14.497 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.106 -7.786 14.602 1.00 0.00 H new ATOM 0 HG SER A 51 -5.702 -8.943 16.570 1.00 0.00 H new ATOM 734 N GLY A 52 -8.418 -5.662 14.655 1.00 0.00 N ATOM 735 CA GLY A 52 -8.690 -4.358 15.231 1.00 0.00 C ATOM 736 C GLY A 52 -7.425 -3.560 15.482 1.00 0.00 C ATOM 737 O GLY A 52 -7.383 -2.717 16.377 1.00 0.00 O ATOM 0 H GLY A 52 -8.125 -5.647 13.678 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.343 -3.798 14.562 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.229 -4.484 16.170 1.00 0.00 H new ATOM 741 N ALA A 53 -6.392 -3.828 14.690 1.00 0.00 N ATOM 742 CA ALA A 53 -5.121 -3.129 14.831 1.00 0.00 C ATOM 743 C ALA A 53 -4.726 -2.440 13.529 1.00 0.00 C ATOM 744 O ALA A 53 -5.120 -2.868 12.444 1.00 0.00 O ATOM 745 CB ALA A 53 -4.032 -4.096 15.269 1.00 0.00 C ATOM 0 H ALA A 53 -6.411 -4.524 13.944 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.240 -2.362 15.596 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.088 -3.560 15.370 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.302 -4.539 16.228 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.924 -4.884 14.523 1.00 0.00 H new ATOM 751 N VAL A 54 -3.947 -1.369 13.643 1.00 0.00 N ATOM 752 CA VAL A 54 -3.499 -0.621 12.475 1.00 0.00 C ATOM 753 C VAL A 54 -1.977 -0.589 12.393 1.00 0.00 C ATOM 754 O VAL A 54 -1.319 0.113 13.160 1.00 0.00 O ATOM 755 CB VAL A 54 -4.031 0.824 12.496 1.00 0.00 C ATOM 756 CG1 VAL A 54 -3.474 1.616 11.323 1.00 0.00 C ATOM 757 CG2 VAL A 54 -5.552 0.831 12.480 1.00 0.00 C ATOM 0 H VAL A 54 -3.613 -1.000 14.533 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.896 -1.134 11.599 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.697 1.302 13.417 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.861 2.634 11.355 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.386 1.639 11.384 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.775 1.143 10.389 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.911 1.860 12.495 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.909 0.335 11.577 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.928 0.303 13.356 1.00 0.00 H new ATOM 767 N GLU A 55 -1.424 -1.354 11.457 1.00 0.00 N ATOM 768 CA GLU A 55 0.022 -1.413 11.276 1.00 0.00 C ATOM 769 C GLU A 55 0.482 -0.393 10.239 1.00 0.00 C ATOM 770 O GLU A 55 -0.195 -0.162 9.238 1.00 0.00 O ATOM 771 CB GLU A 55 0.448 -2.819 10.848 1.00 0.00 C ATOM 772 CG GLU A 55 0.716 -3.755 12.014 1.00 0.00 C ATOM 773 CD GLU A 55 -0.543 -4.429 12.523 1.00 0.00 C ATOM 774 OE1 GLU A 55 -1.209 -5.122 11.725 1.00 0.00 O ATOM 775 OE2 GLU A 55 -0.864 -4.264 13.718 1.00 0.00 O ATOM 0 H GLU A 55 -1.955 -1.941 10.813 1.00 0.00 H new ATOM 0 HA GLU A 55 0.492 -1.173 12.230 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.331 -3.250 10.219 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.348 -2.747 10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.432 -4.517 11.706 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.177 -3.194 12.827 1.00 0.00 H new ATOM 782 N GLU A 56 1.639 0.214 10.487 1.00 0.00 N ATOM 783 CA GLU A 56 2.189 1.211 9.575 1.00 0.00 C ATOM 784 C GLU A 56 3.044 0.550 8.499 1.00 0.00 C ATOM 785 O GLU A 56 3.928 -0.254 8.799 1.00 0.00 O ATOM 786 CB GLU A 56 3.023 2.235 10.348 1.00 0.00 C ATOM 787 CG GLU A 56 3.173 3.565 9.628 1.00 0.00 C ATOM 788 CD GLU A 56 4.050 4.543 10.385 1.00 0.00 C ATOM 789 OE1 GLU A 56 5.279 4.325 10.427 1.00 0.00 O ATOM 790 OE2 GLU A 56 3.509 5.524 10.935 1.00 0.00 O ATOM 0 H GLU A 56 2.213 0.033 11.311 1.00 0.00 H new ATOM 0 HA GLU A 56 1.357 1.722 9.090 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.561 2.408 11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.013 1.819 10.535 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.598 3.393 8.639 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.188 4.006 9.479 1.00 0.00 H new ATOM 797 N CYS A 57 2.775 0.894 7.244 1.00 0.00 N ATOM 798 CA CYS A 57 3.519 0.333 6.121 1.00 0.00 C ATOM 799 C CYS A 57 4.739 1.189 5.796 1.00 0.00 C ATOM 800 O CYS A 57 4.666 2.418 5.796 1.00 0.00 O ATOM 801 CB CYS A 57 2.617 0.220 4.891 1.00 0.00 C ATOM 802 SG CYS A 57 1.038 -0.601 5.207 1.00 0.00 S ATOM 0 H CYS A 57 2.048 1.558 6.979 1.00 0.00 H new ATOM 0 HA CYS A 57 3.861 -0.662 6.404 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.423 1.220 4.503 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.149 -0.327 4.112 1.00 0.00 H new ATOM 0 HG CYS A 57 0.345 -0.646 4.108 1.00 0.00 H new ATOM 808 N HIS A 58 5.860 0.531 5.520 1.00 0.00 N ATOM 809 CA HIS A 58 7.097 1.231 5.194 1.00 0.00 C ATOM 810 C HIS A 58 6.935 2.056 3.920 1.00 0.00 C ATOM 811 O HIS A 58 6.501 1.544 2.888 1.00 0.00 O ATOM 812 CB HIS A 58 8.244 0.234 5.027 1.00 0.00 C ATOM 813 CG HIS A 58 9.596 0.827 5.283 1.00 0.00 C ATOM 814 ND1 HIS A 58 10.178 1.758 4.449 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.479 0.619 6.287 1.00 0.00 C ATOM 816 CE1 HIS A 58 11.362 2.095 4.929 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.568 1.418 6.044 1.00 0.00 N ATOM 0 H HIS A 58 5.937 -0.486 5.516 1.00 0.00 H new ATOM 0 HA HIS A 58 7.330 1.907 6.017 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.089 -0.603 5.708 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.219 -0.170 4.015 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.351 -0.051 7.124 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.045 2.804 4.485 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.401 1.479 6.629 1.00 0.00 H new ATOM 825 N VAL A 59 7.287 3.335 4.001 1.00 0.00 N ATOM 826 CA VAL A 59 7.180 4.230 2.854 1.00 0.00 C ATOM 827 C VAL A 59 8.496 4.957 2.601 1.00 0.00 C ATOM 828 O VAL A 59 9.012 5.652 3.476 1.00 0.00 O ATOM 829 CB VAL A 59 6.063 5.271 3.057 1.00 0.00 C ATOM 830 CG1 VAL A 59 6.029 6.251 1.894 1.00 0.00 C ATOM 831 CG2 VAL A 59 4.717 4.581 3.222 1.00 0.00 C ATOM 0 H VAL A 59 7.648 3.775 4.847 1.00 0.00 H new ATOM 0 HA VAL A 59 6.937 3.611 1.990 1.00 0.00 H new ATOM 0 HB VAL A 59 6.273 5.832 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.234 6.979 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.986 6.768 1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.843 5.709 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.939 5.331 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.497 3.995 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.750 3.923 4.090 1.00 0.00 H new ATOM 841 N SER A 60 9.035 4.791 1.397 1.00 0.00 N ATOM 842 CA SER A 60 10.294 5.429 1.029 1.00 0.00 C ATOM 843 C SER A 60 10.124 6.280 -0.226 1.00 0.00 C ATOM 844 O SER A 60 9.577 5.824 -1.229 1.00 0.00 O ATOM 845 CB SER A 60 11.377 4.373 0.800 1.00 0.00 C ATOM 846 OG SER A 60 11.039 3.522 -0.281 1.00 0.00 O ATOM 0 H SER A 60 8.620 4.221 0.660 1.00 0.00 H new ATOM 0 HA SER A 60 10.598 6.079 1.850 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.330 4.863 0.597 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.509 3.781 1.706 1.00 0.00 H new ATOM 0 HG SER A 60 10.414 3.984 -0.878 1.00 0.00 H new ATOM 852 N GLU A 61 10.599 7.521 -0.161 1.00 0.00 N ATOM 853 CA GLU A 61 10.499 8.436 -1.291 1.00 0.00 C ATOM 854 C GLU A 61 11.597 8.159 -2.314 1.00 0.00 C ATOM 855 O GLU A 61 12.786 8.278 -2.013 1.00 0.00 O ATOM 856 CB GLU A 61 10.588 9.886 -0.811 1.00 0.00 C ATOM 857 CG GLU A 61 10.411 10.908 -1.922 1.00 0.00 C ATOM 858 CD GLU A 61 10.405 12.334 -1.408 1.00 0.00 C ATOM 859 OE1 GLU A 61 10.136 12.529 -0.204 1.00 0.00 O ATOM 860 OE2 GLU A 61 10.669 13.255 -2.208 1.00 0.00 O ATOM 0 H GLU A 61 11.056 7.914 0.662 1.00 0.00 H new ATOM 0 HA GLU A 61 9.532 8.278 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.827 10.055 -0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.556 10.043 -0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.215 10.791 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.476 10.711 -2.446 1.00 0.00 H new ATOM 867 N LEU A 62 11.191 7.789 -3.523 1.00 0.00 N ATOM 868 CA LEU A 62 12.139 7.495 -4.592 1.00 0.00 C ATOM 869 C LEU A 62 12.099 8.574 -5.669 1.00 0.00 C ATOM 870 O LEU A 62 13.139 9.033 -6.140 1.00 0.00 O ATOM 871 CB LEU A 62 11.833 6.130 -5.211 1.00 0.00 C ATOM 872 CG LEU A 62 11.582 4.987 -4.225 1.00 0.00 C ATOM 873 CD1 LEU A 62 11.289 3.694 -4.971 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.775 4.812 -3.297 1.00 0.00 C ATOM 0 H LEU A 62 10.211 7.685 -3.788 1.00 0.00 H new ATOM 0 HA LEU A 62 13.140 7.476 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.956 6.231 -5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.666 5.851 -5.856 1.00 0.00 H new ATOM 0 HG LEU A 62 10.711 5.238 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.113 2.892 -4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.404 3.825 -5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.140 3.437 -5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.579 3.995 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.663 4.583 -3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.938 5.733 -2.737 1.00 0.00 H new ATOM 886 N GLU A 63 10.891 8.976 -6.052 1.00 0.00 N ATOM 887 CA GLU A 63 10.716 10.003 -7.073 1.00 0.00 C ATOM 888 C GLU A 63 9.791 11.111 -6.577 1.00 0.00 C ATOM 889 O GLU A 63 8.904 10.891 -5.753 1.00 0.00 O ATOM 890 CB GLU A 63 10.152 9.388 -8.355 1.00 0.00 C ATOM 891 CG GLU A 63 10.697 8.002 -8.657 1.00 0.00 C ATOM 892 CD GLU A 63 12.191 8.008 -8.919 1.00 0.00 C ATOM 893 OE1 GLU A 63 12.770 9.108 -9.031 1.00 0.00 O ATOM 894 OE2 GLU A 63 12.780 6.910 -9.011 1.00 0.00 O ATOM 0 H GLU A 63 10.020 8.607 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 63 11.693 10.437 -7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.066 9.332 -8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.376 10.048 -9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.481 7.340 -7.818 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.181 7.594 -9.526 1.00 0.00 H new ATOM 901 N PRO A 64 10.004 12.332 -7.090 1.00 0.00 N ATOM 902 CA PRO A 64 9.200 13.499 -6.714 1.00 0.00 C ATOM 903 C PRO A 64 7.773 13.416 -7.246 1.00 0.00 C ATOM 904 O PRO A 64 6.910 14.204 -6.861 1.00 0.00 O ATOM 905 CB PRO A 64 9.946 14.667 -7.364 1.00 0.00 C ATOM 906 CG PRO A 64 10.677 14.059 -8.511 1.00 0.00 C ATOM 907 CD PRO A 64 11.044 12.667 -8.077 1.00 0.00 C ATOM 0 HA PRO A 64 9.095 13.591 -5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.255 15.440 -7.700 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.634 15.138 -6.661 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.053 14.037 -9.404 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.567 14.638 -8.758 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.041 11.971 -8.916 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.041 12.633 -7.638 1.00 0.00 H new ATOM 915 N ASP A 65 7.533 12.457 -8.133 1.00 0.00 N ATOM 916 CA ASP A 65 6.209 12.270 -8.717 1.00 0.00 C ATOM 917 C ASP A 65 5.696 10.857 -8.459 1.00 0.00 C ATOM 918 O ASP A 65 4.603 10.493 -8.892 1.00 0.00 O ATOM 919 CB ASP A 65 6.249 12.544 -10.221 1.00 0.00 C ATOM 920 CG ASP A 65 6.805 13.917 -10.545 1.00 0.00 C ATOM 921 OD1 ASP A 65 8.044 14.074 -10.528 1.00 0.00 O ATOM 922 OD2 ASP A 65 6.002 14.835 -10.814 1.00 0.00 O ATOM 0 H ASP A 65 8.237 11.797 -8.464 1.00 0.00 H new ATOM 0 HA ASP A 65 5.527 12.977 -8.244 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.858 11.784 -10.710 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.242 12.457 -10.630 1.00 0.00 H new ATOM 927 N LYS A 66 6.493 10.064 -7.750 1.00 0.00 N ATOM 928 CA LYS A 66 6.120 8.690 -7.433 1.00 0.00 C ATOM 929 C LYS A 66 6.664 8.280 -6.068 1.00 0.00 C ATOM 930 O LYS A 66 7.674 8.812 -5.607 1.00 0.00 O ATOM 931 CB LYS A 66 6.642 7.737 -8.510 1.00 0.00 C ATOM 932 CG LYS A 66 5.848 6.446 -8.617 1.00 0.00 C ATOM 933 CD LYS A 66 6.633 5.367 -9.343 1.00 0.00 C ATOM 934 CE LYS A 66 7.497 4.564 -8.382 1.00 0.00 C ATOM 935 NZ LYS A 66 8.175 3.427 -9.063 1.00 0.00 N ATOM 0 H LYS A 66 7.401 10.349 -7.384 1.00 0.00 H new ATOM 0 HA LYS A 66 5.032 8.633 -7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.623 8.246 -9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.684 7.497 -8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.585 6.096 -7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.914 6.635 -9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.943 4.699 -9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.264 5.825 -10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.246 5.218 -7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.879 4.184 -7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.754 2.905 -8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.461 2.789 -9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.785 3.791 -9.822 1.00 0.00 H new ATOM 949 N TYR A 67 5.991 7.331 -5.429 1.00 0.00 N ATOM 950 CA TYR A 67 6.407 6.850 -4.116 1.00 0.00 C ATOM 951 C TYR A 67 6.246 5.336 -4.015 1.00 0.00 C ATOM 952 O TYR A 67 5.542 4.720 -4.814 1.00 0.00 O ATOM 953 CB TYR A 67 5.593 7.535 -3.017 1.00 0.00 C ATOM 954 CG TYR A 67 5.967 8.985 -2.802 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.710 9.941 -3.777 1.00 0.00 C ATOM 956 CD2 TYR A 67 6.576 9.397 -1.623 1.00 0.00 C ATOM 957 CE1 TYR A 67 6.051 11.266 -3.584 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.918 10.720 -1.422 1.00 0.00 C ATOM 959 CZ TYR A 67 6.654 11.651 -2.405 1.00 0.00 C ATOM 960 OH TYR A 67 6.994 12.970 -2.209 1.00 0.00 O ATOM 0 H TYR A 67 5.155 6.879 -5.798 1.00 0.00 H new ATOM 0 HA TYR A 67 7.461 7.095 -3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.534 7.475 -3.269 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.729 6.991 -2.082 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.236 9.644 -4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.785 8.671 -0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.846 11.997 -4.353 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.390 11.024 -0.499 1.00 0.00 H new ATOM 0 HH TYR A 67 7.409 13.073 -1.327 1.00 0.00 H new ATOM 970 N ALA A 68 6.905 4.744 -3.024 1.00 0.00 N ATOM 971 CA ALA A 68 6.834 3.303 -2.815 1.00 0.00 C ATOM 972 C ALA A 68 6.319 2.976 -1.417 1.00 0.00 C ATOM 973 O ALA A 68 6.634 3.670 -0.450 1.00 0.00 O ATOM 974 CB ALA A 68 8.200 2.670 -3.038 1.00 0.00 C ATOM 0 H ALA A 68 7.493 5.239 -2.354 1.00 0.00 H new ATOM 0 HA ALA A 68 6.131 2.889 -3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.133 1.594 -2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.530 2.866 -4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.917 3.096 -2.337 1.00 0.00 H new ATOM 980 N VAL A 69 5.524 1.915 -1.318 1.00 0.00 N ATOM 981 CA VAL A 69 4.965 1.496 -0.038 1.00 0.00 C ATOM 982 C VAL A 69 5.044 -0.017 0.127 1.00 0.00 C ATOM 983 O VAL A 69 4.385 -0.766 -0.595 1.00 0.00 O ATOM 984 CB VAL A 69 3.498 1.941 0.107 1.00 0.00 C ATOM 985 CG1 VAL A 69 2.930 1.483 1.441 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.383 3.451 -0.041 1.00 0.00 C ATOM 0 H VAL A 69 5.253 1.330 -2.109 1.00 0.00 H new ATOM 0 HA VAL A 69 5.560 1.975 0.739 1.00 0.00 H new ATOM 0 HB VAL A 69 2.915 1.475 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.893 1.807 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.977 0.396 1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.513 1.918 2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.340 3.748 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.979 3.939 0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.748 3.749 -1.024 1.00 0.00 H new ATOM 996 N ARG A 70 5.855 -0.461 1.082 1.00 0.00 N ATOM 997 CA ARG A 70 6.021 -1.886 1.342 1.00 0.00 C ATOM 998 C ARG A 70 5.197 -2.318 2.552 1.00 0.00 C ATOM 999 O ARG A 70 5.116 -1.600 3.549 1.00 0.00 O ATOM 1000 CB ARG A 70 7.497 -2.216 1.572 1.00 0.00 C ATOM 1001 CG ARG A 70 7.856 -3.658 1.251 1.00 0.00 C ATOM 1002 CD ARG A 70 9.158 -4.069 1.920 1.00 0.00 C ATOM 1003 NE ARG A 70 9.265 -3.546 3.280 1.00 0.00 N ATOM 1004 CZ ARG A 70 8.684 -4.111 4.332 1.00 0.00 C ATOM 1005 NH1 ARG A 70 7.961 -5.212 4.183 1.00 0.00 N ATOM 1006 NH2 ARG A 70 8.827 -3.576 5.538 1.00 0.00 N ATOM 0 H ARG A 70 6.407 0.146 1.688 1.00 0.00 H new ATOM 0 HA ARG A 70 5.666 -2.433 0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.108 -1.553 0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.749 -2.011 2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.052 -4.316 1.581 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.946 -3.780 0.172 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.225 -5.157 1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.999 -3.710 1.327 1.00 0.00 H new ATOM 0 HE ARG A 70 9.816 -2.701 3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.850 -5.628 3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.516 -5.643 4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.384 -2.730 5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.380 -4.011 6.345 1.00 0.00 H new ATOM 1020 N PHE A 71 4.588 -3.495 2.457 1.00 0.00 N ATOM 1021 CA PHE A 71 3.769 -4.022 3.543 1.00 0.00 C ATOM 1022 C PHE A 71 3.630 -5.538 3.432 1.00 0.00 C ATOM 1023 O PHE A 71 3.671 -6.097 2.336 1.00 0.00 O ATOM 1024 CB PHE A 71 2.386 -3.369 3.530 1.00 0.00 C ATOM 1025 CG PHE A 71 1.445 -3.978 2.530 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.601 -3.736 1.175 1.00 0.00 C ATOM 1027 CD2 PHE A 71 0.403 -4.791 2.946 1.00 0.00 C ATOM 1028 CE1 PHE A 71 0.737 -4.295 0.252 1.00 0.00 C ATOM 1029 CE2 PHE A 71 -0.464 -5.353 2.028 1.00 0.00 C ATOM 1030 CZ PHE A 71 -0.298 -5.104 0.679 1.00 0.00 C ATOM 0 H PHE A 71 4.646 -4.102 1.639 1.00 0.00 H new ATOM 0 HA PHE A 71 4.264 -3.788 4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.947 -3.447 4.525 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.497 -2.307 3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.407 -3.103 0.836 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.267 -4.988 3.999 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.871 -4.099 -0.802 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.271 -5.987 2.365 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.976 -5.541 -0.040 1.00 0.00 H new ATOM 1040 N ILE A 72 3.464 -6.195 4.575 1.00 0.00 N ATOM 1041 CA ILE A 72 3.318 -7.645 4.607 1.00 0.00 C ATOM 1042 C ILE A 72 1.860 -8.047 4.799 1.00 0.00 C ATOM 1043 O ILE A 72 1.335 -8.058 5.913 1.00 0.00 O ATOM 1044 CB ILE A 72 4.164 -8.272 5.731 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.638 -7.903 5.556 1.00 0.00 C ATOM 1046 CG2 ILE A 72 3.989 -9.783 5.747 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.543 -8.518 6.600 1.00 0.00 C ATOM 0 H ILE A 72 3.427 -5.747 5.490 1.00 0.00 H new ATOM 0 HA ILE A 72 3.672 -8.018 3.646 1.00 0.00 H new ATOM 0 HB ILE A 72 3.821 -7.876 6.687 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.969 -8.221 4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.739 -6.818 5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.593 -10.211 6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.940 -10.026 5.915 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.308 -10.196 4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.573 -8.213 6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.238 -8.180 7.590 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.471 -9.604 6.549 1.00 0.00 H new ATOM 1059 N PRO A 73 1.188 -8.386 3.689 1.00 0.00 N ATOM 1060 CA PRO A 73 -0.219 -8.797 3.710 1.00 0.00 C ATOM 1061 C PRO A 73 -0.415 -10.161 4.363 1.00 0.00 C ATOM 1062 O PRO A 73 -0.511 -11.180 3.679 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.593 -8.856 2.227 1.00 0.00 C ATOM 1064 CG PRO A 73 0.696 -9.100 1.520 1.00 0.00 C ATOM 1065 CD PRO A 73 1.750 -8.395 2.328 1.00 0.00 C ATOM 0 HA PRO A 73 -0.835 -8.112 4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.309 -9.654 2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.055 -7.925 1.898 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.907 -10.167 1.450 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.662 -8.714 0.501 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.704 -8.921 2.291 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.929 -7.385 1.961 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.475 -10.172 5.691 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.661 -11.412 6.437 1.00 0.00 C ATOM 1075 C HIS A 74 -1.885 -11.322 7.344 1.00 0.00 C ATOM 1076 O HIS A 74 -1.852 -10.664 8.383 1.00 0.00 O ATOM 1077 CB HIS A 74 0.583 -11.722 7.270 1.00 0.00 C ATOM 1078 CG HIS A 74 0.908 -10.664 8.279 1.00 0.00 C ATOM 1079 ND1 HIS A 74 1.751 -9.605 8.015 1.00 0.00 N ATOM 1080 CD2 HIS A 74 0.496 -10.505 9.559 1.00 0.00 C ATOM 1081 CE1 HIS A 74 1.845 -8.842 9.089 1.00 0.00 C ATOM 1082 NE2 HIS A 74 1.092 -9.365 10.040 1.00 0.00 N ATOM 0 H HIS A 74 -0.398 -9.337 6.272 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.820 -12.218 5.720 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.438 -12.671 7.785 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.435 -11.849 6.602 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.176 -11.154 10.101 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.437 -7.943 9.175 1.00 0.00 H new ATOM 0 HE2 HIS A 74 0.973 -8.984 10.979 1.00 0.00 H new ATOM 1090 N GLU A 75 -2.963 -11.987 6.941 1.00 0.00 N ATOM 1091 CA GLU A 75 -4.198 -11.980 7.717 1.00 0.00 C ATOM 1092 C GLU A 75 -4.921 -13.319 7.601 1.00 0.00 C ATOM 1093 O GLU A 75 -4.476 -14.217 6.888 1.00 0.00 O ATOM 1094 CB GLU A 75 -5.115 -10.850 7.247 1.00 0.00 C ATOM 1095 CG GLU A 75 -4.593 -9.463 7.581 1.00 0.00 C ATOM 1096 CD GLU A 75 -4.325 -9.281 9.062 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -4.824 -10.103 9.860 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -3.618 -8.318 9.425 1.00 0.00 O ATOM 0 H GLU A 75 -3.006 -12.537 6.083 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.939 -11.816 8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.250 -10.928 6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.098 -10.978 7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.674 -9.281 7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.317 -8.718 7.252 1.00 0.00 H new ATOM 1105 N ASN A 76 -6.040 -13.444 8.308 1.00 0.00 N ATOM 1106 CA ASN A 76 -6.825 -14.673 8.286 1.00 0.00 C ATOM 1107 C ASN A 76 -8.019 -14.538 7.346 1.00 0.00 C ATOM 1108 O ASN A 76 -8.880 -15.415 7.290 1.00 0.00 O ATOM 1109 CB ASN A 76 -7.307 -15.020 9.696 1.00 0.00 C ATOM 1110 CG ASN A 76 -7.625 -13.786 10.518 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -6.792 -13.309 11.289 1.00 0.00 O ATOM 1112 ND2 ASN A 76 -8.835 -13.264 10.358 1.00 0.00 N ATOM 0 H ASN A 76 -6.423 -12.709 8.903 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.186 -15.477 7.920 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.196 -15.648 9.629 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.541 -15.605 10.205 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.106 -12.434 10.885 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.493 -13.693 9.708 1.00 0.00 H new ATOM 1119 N GLY A 77 -8.064 -13.432 6.609 1.00 0.00 N ATOM 1120 CA GLY A 77 -9.156 -13.203 5.681 1.00 0.00 C ATOM 1121 C GLY A 77 -8.827 -12.142 4.650 1.00 0.00 C ATOM 1122 O GLY A 77 -7.883 -12.292 3.873 1.00 0.00 O ATOM 0 H GLY A 77 -7.364 -12.691 6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.399 -14.136 5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.044 -12.902 6.237 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.608 -11.067 4.639 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.396 -9.977 3.694 1.00 0.00 C ATOM 1128 C VAL A 78 -8.744 -8.778 4.375 1.00 0.00 C ATOM 1129 O VAL A 78 -9.055 -8.458 5.523 1.00 0.00 O ATOM 1130 CB VAL A 78 -10.720 -9.528 3.048 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.477 -8.391 2.067 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.400 -10.701 2.359 1.00 0.00 C ATOM 0 H VAL A 78 -10.394 -10.927 5.274 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.732 -10.357 2.918 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.382 -9.163 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.424 -8.087 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.036 -7.545 2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.797 -8.726 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.334 -10.366 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.744 -11.098 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.610 -11.481 3.091 1.00 0.00 H new ATOM 1142 N HIS A 79 -7.838 -8.119 3.660 1.00 0.00 N ATOM 1143 CA HIS A 79 -7.142 -6.954 4.196 1.00 0.00 C ATOM 1144 C HIS A 79 -7.770 -5.662 3.681 1.00 0.00 C ATOM 1145 O HIS A 79 -8.490 -5.664 2.682 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.661 -7.001 3.819 1.00 0.00 C ATOM 1147 CG HIS A 79 -5.038 -8.350 4.006 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -3.870 -8.548 4.712 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -5.428 -9.572 3.575 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.568 -9.834 4.706 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.497 -10.478 4.023 1.00 0.00 N ATOM 0 H HIS A 79 -7.569 -8.371 2.709 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.233 -6.974 5.282 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.550 -6.700 2.777 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.118 -6.272 4.421 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.325 -7.816 5.167 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.307 -9.794 2.988 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.707 -10.283 5.179 1.00 0.00 H new ATOM 1159 N THR A 80 -7.492 -4.559 4.369 1.00 0.00 N ATOM 1160 CA THR A 80 -8.030 -3.261 3.983 1.00 0.00 C ATOM 1161 C THR A 80 -6.954 -2.183 4.033 1.00 0.00 C ATOM 1162 O THR A 80 -6.519 -1.777 5.111 1.00 0.00 O ATOM 1163 CB THR A 80 -9.201 -2.845 4.893 1.00 0.00 C ATOM 1164 OG1 THR A 80 -10.005 -3.987 5.211 1.00 0.00 O ATOM 1165 CG2 THR A 80 -10.060 -1.785 4.220 1.00 0.00 C ATOM 0 H THR A 80 -6.897 -4.539 5.197 1.00 0.00 H new ATOM 0 HA THR A 80 -8.393 -3.361 2.960 1.00 0.00 H new ATOM 0 HB THR A 80 -8.787 -2.426 5.810 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.746 -3.714 5.791 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.880 -1.507 4.882 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.452 -0.906 4.007 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.464 -2.181 3.288 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.530 -1.722 2.862 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.506 -0.688 2.773 1.00 0.00 C ATOM 1175 C ILE A 81 -6.089 0.690 3.066 1.00 0.00 C ATOM 1176 O ILE A 81 -7.155 1.044 2.563 1.00 0.00 O ATOM 1177 CB ILE A 81 -4.845 -0.669 1.382 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.327 -2.062 1.020 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -3.714 0.348 1.348 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -4.243 -2.307 -0.470 1.00 0.00 C ATOM 0 H ILE A 81 -6.880 -2.048 1.961 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.751 -0.926 3.522 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.593 -0.378 0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.339 -2.199 1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.980 -2.811 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.256 0.350 0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.110 1.340 1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.964 0.084 2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.868 -3.314 -0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.234 -2.203 -0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.566 -1.581 -0.921 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.381 1.464 3.881 1.00 0.00 N ATOM 1193 CA ASP A 82 -5.827 2.806 4.239 1.00 0.00 C ATOM 1194 C ASP A 82 -4.907 3.863 3.636 1.00 0.00 C ATOM 1195 O ASP A 82 -3.888 4.223 4.225 1.00 0.00 O ATOM 1196 CB ASP A 82 -5.875 2.962 5.760 1.00 0.00 C ATOM 1197 CG ASP A 82 -5.849 4.414 6.195 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -6.139 5.290 5.353 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -5.538 4.675 7.376 1.00 0.00 O ATOM 0 H ASP A 82 -4.497 1.186 4.306 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.829 2.949 3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.779 2.487 6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.028 2.438 6.203 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.274 4.356 2.457 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.482 5.372 1.774 1.00 0.00 C ATOM 1206 C VAL A 83 -5.109 6.753 1.927 1.00 0.00 C ATOM 1207 O VAL A 83 -6.077 7.087 1.243 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.331 5.052 0.275 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.470 6.101 -0.412 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.745 3.661 0.084 1.00 0.00 C ATOM 0 H VAL A 83 -6.114 4.068 1.955 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.496 5.370 2.239 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.320 5.072 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.375 5.858 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.936 7.081 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.481 6.117 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.645 3.451 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.764 3.611 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.405 2.922 0.539 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.552 7.553 2.829 1.00 0.00 N ATOM 1221 CA LYS A 84 -5.055 8.900 3.072 1.00 0.00 C ATOM 1222 C LYS A 84 -4.082 9.948 2.541 1.00 0.00 C ATOM 1223 O LYS A 84 -2.865 9.774 2.615 1.00 0.00 O ATOM 1224 CB LYS A 84 -5.287 9.117 4.569 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.609 8.557 5.066 1.00 0.00 C ATOM 1226 CD LYS A 84 -6.636 8.454 6.582 1.00 0.00 C ATOM 1227 CE LYS A 84 -7.981 7.951 7.083 1.00 0.00 C ATOM 1228 NZ LYS A 84 -8.095 8.054 8.564 1.00 0.00 N ATOM 0 H LYS A 84 -3.751 7.292 3.405 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.002 9.008 2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.473 8.653 5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.251 10.185 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.425 9.196 4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.775 7.572 4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.847 7.780 6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.426 9.431 7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.781 8.526 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.116 6.913 6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.026 7.701 8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.348 7.485 9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.991 9.048 8.852 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.625 11.036 2.006 1.00 0.00 N ATOM 1243 CA PHE A 85 -3.805 12.113 1.463 1.00 0.00 C ATOM 1244 C PHE A 85 -4.268 13.468 1.990 1.00 0.00 C ATOM 1245 O PHE A 85 -5.371 13.920 1.686 1.00 0.00 O ATOM 1246 CB PHE A 85 -3.858 12.102 -0.066 1.00 0.00 C ATOM 1247 CG PHE A 85 -2.785 12.933 -0.709 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -2.902 14.312 -0.769 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -1.660 12.335 -1.254 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -1.917 15.080 -1.360 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -0.672 13.098 -1.846 1.00 0.00 C ATOM 1252 CZ PHE A 85 -0.800 14.472 -1.900 1.00 0.00 C ATOM 0 H PHE A 85 -5.630 11.196 1.937 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.776 11.950 1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.770 11.074 -0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.832 12.467 -0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.773 14.792 -0.349 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.554 11.261 -1.216 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.020 16.154 -1.400 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.200 12.620 -2.267 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.029 15.070 -2.363 1.00 0.00 H new ATOM 1262 N ASN A 86 -3.416 14.112 2.781 1.00 0.00 N ATOM 1263 CA ASN A 86 -3.738 15.415 3.351 1.00 0.00 C ATOM 1264 C ASN A 86 -5.060 15.365 4.111 1.00 0.00 C ATOM 1265 O ASN A 86 -5.792 16.352 4.169 1.00 0.00 O ATOM 1266 CB ASN A 86 -3.810 16.473 2.249 1.00 0.00 C ATOM 1267 CG ASN A 86 -3.467 17.861 2.756 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -3.512 18.123 3.958 1.00 0.00 O ATOM 1269 ND2 ASN A 86 -3.122 18.757 1.839 1.00 0.00 N ATOM 0 H ASN A 86 -2.498 13.753 3.042 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.947 15.683 4.051 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.125 16.203 1.445 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.813 16.482 1.823 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.880 19.707 2.120 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.098 18.495 0.853 1.00 0.00 H new ATOM 1276 N GLY A 87 -5.358 14.207 4.693 1.00 0.00 N ATOM 1277 CA GLY A 87 -6.591 14.050 5.443 1.00 0.00 C ATOM 1278 C GLY A 87 -7.793 13.842 4.543 1.00 0.00 C ATOM 1279 O GLY A 87 -8.744 14.623 4.576 1.00 0.00 O ATOM 0 H GLY A 87 -4.768 13.376 4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.496 13.201 6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.752 14.933 6.061 1.00 0.00 H new ATOM 1283 N SER A 88 -7.751 12.787 3.736 1.00 0.00 N ATOM 1284 CA SER A 88 -8.844 12.482 2.819 1.00 0.00 C ATOM 1285 C SER A 88 -8.613 11.143 2.125 1.00 0.00 C ATOM 1286 O SER A 88 -7.602 10.947 1.449 1.00 0.00 O ATOM 1287 CB SER A 88 -8.987 13.592 1.776 1.00 0.00 C ATOM 1288 OG SER A 88 -10.307 13.644 1.264 1.00 0.00 O ATOM 0 H SER A 88 -6.973 12.129 3.698 1.00 0.00 H new ATOM 0 HA SER A 88 -9.765 12.417 3.399 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.729 14.552 2.224 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.284 13.422 0.961 1.00 0.00 H new ATOM 0 HG SER A 88 -10.373 14.363 0.601 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.557 10.224 2.298 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.458 8.902 1.688 1.00 0.00 C ATOM 1296 C HIS A 89 -9.463 9.004 0.166 1.00 0.00 C ATOM 1297 O HIS A 89 -10.488 9.311 -0.443 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.611 8.014 2.155 1.00 0.00 C ATOM 1299 CG HIS A 89 -10.376 7.379 3.491 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -10.068 6.044 3.646 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -10.403 7.905 4.738 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.918 5.776 4.931 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -10.115 6.889 5.615 1.00 0.00 N ATOM 0 H HIS A 89 -10.399 10.370 2.855 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.515 8.454 2.001 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.522 8.610 2.201 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.779 7.232 1.415 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -9.971 5.369 2.887 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -10.612 8.933 4.995 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.676 4.811 5.351 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.310 8.747 -0.444 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.181 8.809 -1.895 1.00 0.00 C ATOM 1313 C VAL A 90 -9.203 7.905 -2.576 1.00 0.00 C ATOM 1314 O VAL A 90 -9.556 6.847 -2.056 1.00 0.00 O ATOM 1315 CB VAL A 90 -6.767 8.403 -2.351 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -5.723 9.319 -1.732 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.491 6.950 -1.998 1.00 0.00 C ATOM 0 H VAL A 90 -7.451 8.494 0.045 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.364 9.843 -2.186 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.709 8.507 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.730 9.017 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.912 10.347 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.777 9.250 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.488 6.680 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.567 6.817 -0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.220 6.310 -2.494 1.00 0.00 H new ATOM 1327 N VAL A 91 -9.674 8.329 -3.745 1.00 0.00 N ATOM 1328 CA VAL A 91 -10.654 7.558 -4.500 1.00 0.00 C ATOM 1329 C VAL A 91 -10.300 6.075 -4.505 1.00 0.00 C ATOM 1330 O VAL A 91 -9.198 5.690 -4.893 1.00 0.00 O ATOM 1331 CB VAL A 91 -10.759 8.054 -5.954 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -9.376 8.191 -6.573 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -11.629 7.115 -6.775 1.00 0.00 C ATOM 0 H VAL A 91 -9.392 9.203 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.616 7.698 -4.006 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.228 9.038 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.470 8.543 -7.600 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.789 8.906 -5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.876 7.222 -6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.692 7.481 -7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.191 6.117 -6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.629 7.073 -6.342 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.243 5.245 -4.070 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.012 3.813 -4.032 1.00 0.00 C ATOM 1345 C GLY A 92 -10.664 3.318 -2.643 1.00 0.00 C ATOM 1346 O GLY A 92 -10.495 2.118 -2.428 1.00 0.00 O ATOM 0 H GLY A 92 -12.163 5.539 -3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.903 3.295 -4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.203 3.560 -4.717 1.00 0.00 H new ATOM 1350 N SER A 93 -10.555 4.245 -1.696 1.00 0.00 N ATOM 1351 CA SER A 93 -10.218 3.896 -0.321 1.00 0.00 C ATOM 1352 C SER A 93 -11.449 3.978 0.577 1.00 0.00 C ATOM 1353 O SER A 93 -12.304 4.850 0.424 1.00 0.00 O ATOM 1354 CB SER A 93 -9.124 4.825 0.210 1.00 0.00 C ATOM 1355 OG SER A 93 -8.306 4.160 1.157 1.00 0.00 O ATOM 0 H SER A 93 -10.695 5.243 -1.856 1.00 0.00 H new ATOM 0 HA SER A 93 -9.850 2.870 -0.312 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.511 5.181 -0.618 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.579 5.702 0.670 1.00 0.00 H new ATOM 0 HG SER A 93 -7.962 4.809 1.806 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.543 3.046 1.538 1.00 0.00 N ATOM 1362 CA PRO A 94 -10.532 2.003 1.729 1.00 0.00 C ATOM 1363 C PRO A 94 -10.534 0.978 0.599 1.00 0.00 C ATOM 1364 O PRO A 94 -11.565 0.736 -0.029 1.00 0.00 O ATOM 1365 CB PRO A 94 -10.946 1.345 3.048 1.00 0.00 C ATOM 1366 CG PRO A 94 -12.409 1.603 3.156 1.00 0.00 C ATOM 1367 CD PRO A 94 -12.643 2.940 2.510 1.00 0.00 C ATOM 0 HA PRO A 94 -9.522 2.412 1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -10.732 0.276 3.042 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.405 1.774 3.891 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.981 0.822 2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.728 1.612 4.198 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.616 2.986 2.022 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.614 3.749 3.239 1.00 0.00 H new ATOM 1375 N PHE A 95 -9.375 0.380 0.346 1.00 0.00 N ATOM 1376 CA PHE A 95 -9.244 -0.618 -0.708 1.00 0.00 C ATOM 1377 C PHE A 95 -9.380 -2.029 -0.142 1.00 0.00 C ATOM 1378 O PHE A 95 -8.939 -2.308 0.973 1.00 0.00 O ATOM 1379 CB PHE A 95 -7.896 -0.469 -1.417 1.00 0.00 C ATOM 1380 CG PHE A 95 -7.821 0.733 -2.315 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -8.545 0.778 -3.495 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -7.027 1.817 -1.978 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -8.477 1.883 -4.324 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -6.955 2.925 -2.803 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.682 2.957 -3.977 1.00 0.00 C ATOM 0 H PHE A 95 -8.513 0.569 0.857 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.046 -0.455 -1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.106 -0.403 -0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.703 -1.366 -2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -9.169 -0.059 -3.771 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.458 1.797 -1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.045 1.906 -5.242 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.332 3.763 -2.530 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.629 3.821 -4.623 1.00 0.00 H new ATOM 1395 N LYS A 96 -9.994 -2.915 -0.919 1.00 0.00 N ATOM 1396 CA LYS A 96 -10.189 -4.297 -0.498 1.00 0.00 C ATOM 1397 C LYS A 96 -9.385 -5.251 -1.375 1.00 0.00 C ATOM 1398 O LYS A 96 -9.307 -5.077 -2.591 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.674 -4.664 -0.555 1.00 0.00 C ATOM 1400 CG LYS A 96 -12.505 -4.007 0.533 1.00 0.00 C ATOM 1401 CD LYS A 96 -12.477 -4.814 1.821 1.00 0.00 C ATOM 1402 CE LYS A 96 -13.753 -4.623 2.626 1.00 0.00 C ATOM 1403 NZ LYS A 96 -14.833 -5.547 2.183 1.00 0.00 N ATOM 0 H LYS A 96 -10.365 -2.700 -1.844 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.837 -4.391 0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.073 -4.378 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.776 -5.746 -0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.127 -3.002 0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.535 -3.901 0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.348 -5.871 1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.618 -4.513 2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.544 -4.789 3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.094 -3.592 2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.685 -5.385 2.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.051 -5.371 1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.518 -6.531 2.301 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.788 -6.262 -0.749 1.00 0.00 N ATOM 1418 CA VAL A 97 -7.992 -7.245 -1.473 1.00 0.00 C ATOM 1419 C VAL A 97 -8.054 -8.609 -0.795 1.00 0.00 C ATOM 1420 O VAL A 97 -7.951 -8.711 0.428 1.00 0.00 O ATOM 1421 CB VAL A 97 -6.520 -6.805 -1.583 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -6.389 -5.604 -2.508 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -5.954 -6.491 -0.206 1.00 0.00 C ATOM 0 H VAL A 97 -8.841 -6.421 0.257 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.416 -7.320 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.944 -7.627 -2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.342 -5.307 -2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.754 -5.868 -3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.977 -4.775 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.913 -6.182 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.531 -5.686 0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.012 -7.380 0.422 1.00 0.00 H new ATOM 1433 N ARG A 98 -8.222 -9.656 -1.596 1.00 0.00 N ATOM 1434 CA ARG A 98 -8.299 -11.014 -1.073 1.00 0.00 C ATOM 1435 C ARG A 98 -6.929 -11.687 -1.106 1.00 0.00 C ATOM 1436 O ARG A 98 -6.400 -11.989 -2.176 1.00 0.00 O ATOM 1437 CB ARG A 98 -9.304 -11.838 -1.879 1.00 0.00 C ATOM 1438 CG ARG A 98 -9.947 -12.963 -1.084 1.00 0.00 C ATOM 1439 CD ARG A 98 -10.593 -13.992 -1.998 1.00 0.00 C ATOM 1440 NE ARG A 98 -10.729 -15.293 -1.347 1.00 0.00 N ATOM 1441 CZ ARG A 98 -11.073 -16.404 -1.989 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -11.312 -16.373 -3.293 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -11.176 -17.549 -1.327 1.00 0.00 N ATOM 0 H ARG A 98 -8.307 -9.589 -2.610 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.633 -10.959 -0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.085 -11.177 -2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.800 -12.261 -2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.194 -13.448 -0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.698 -12.551 -0.410 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.576 -13.636 -2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.995 -14.100 -2.903 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.550 -15.351 -0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.232 -15.495 -3.805 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.576 -17.227 -3.784 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.991 -17.577 -0.324 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.440 -18.402 -1.821 1.00 0.00 H new ATOM 1457 N VAL A 99 -6.361 -11.920 0.073 1.00 0.00 N ATOM 1458 CA VAL A 99 -5.054 -12.557 0.179 1.00 0.00 C ATOM 1459 C VAL A 99 -5.135 -14.038 -0.172 1.00 0.00 C ATOM 1460 O VAL A 99 -6.030 -14.748 0.286 1.00 0.00 O ATOM 1461 CB VAL A 99 -4.471 -12.409 1.597 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -5.216 -13.301 2.578 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.984 -12.728 1.597 1.00 0.00 C ATOM 0 H VAL A 99 -6.786 -11.677 0.968 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.398 -12.053 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.598 -11.375 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.789 -13.182 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.269 -13.020 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.124 -14.341 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.588 -12.618 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.832 -13.752 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.465 -12.042 0.927 1.00 0.00 H new ATOM 1473 N GLY A 100 -4.193 -14.500 -0.990 1.00 0.00 N ATOM 1474 CA GLY A 100 -4.176 -15.895 -1.389 1.00 0.00 C ATOM 1475 C GLY A 100 -3.467 -16.110 -2.712 1.00 0.00 C ATOM 1476 O GLY A 100 -3.537 -15.266 -3.604 1.00 0.00 O ATOM 0 H GLY A 100 -3.442 -13.933 -1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.684 -16.485 -0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.200 -16.261 -1.465 1.00 0.00 H new