USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 743 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 33 HIS :FLIP no HD1:sc= -0.521 F(o=-3.2,f=-2.3) USER MOD Set 1.2: A 35 TYR OH : rot 180:sc= -1.8! USER MOD Single : A 26 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.07) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 23:sc= 0.55 USER MOD Single : A 51 SER OG : rot -147:sc= 0.564! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.236) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 62:sc= 0.84 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.47) USER MOD Single : A 91 TYR OH : rot 81:sc= 1.83! USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.21 USER MOD Single : A 94 HIS : no HD1:sc= -0.99 K(o=-0.99,f=-2.2!) USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= -3.44! (180deg=-3.81!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 22 -7.958 12.702 -8.707 1.00 0.00 N ATOM 2 CA ARG A 22 -7.328 12.320 -7.416 1.00 0.00 C ATOM 3 C ARG A 22 -7.480 10.826 -7.149 1.00 0.00 C ATOM 4 O ARG A 22 -8.466 10.210 -7.551 1.00 0.00 O ATOM 5 CB ARG A 22 -7.987 13.127 -6.294 1.00 0.00 C ATOM 6 CG ARG A 22 -7.509 12.742 -4.903 1.00 0.00 C ATOM 7 CD ARG A 22 -7.999 13.727 -3.853 1.00 0.00 C ATOM 8 NE ARG A 22 -9.456 13.830 -3.836 1.00 0.00 N ATOM 9 CZ ARG A 22 -10.130 14.684 -3.068 1.00 0.00 C ATOM 10 NH1 ARG A 22 -9.482 15.510 -2.256 1.00 0.00 N ATOM 11 NH2 ARG A 22 -11.454 14.712 -3.113 1.00 0.00 N ATOM 0 HA ARG A 22 -6.261 12.539 -7.460 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.789 14.187 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.067 12.992 -6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.865 11.741 -4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.420 12.705 -4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.646 13.414 -2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.569 14.709 -4.049 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.988 13.212 -4.448 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.463 15.493 -2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.003 16.162 -1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.957 14.080 -3.736 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.971 15.366 -2.525 1.00 0.00 H new ATOM 27 N LEU A 23 -6.495 10.251 -6.466 1.00 0.00 N ATOM 28 CA LEU A 23 -6.517 8.831 -6.140 1.00 0.00 C ATOM 29 C LEU A 23 -6.320 8.617 -4.647 1.00 0.00 C ATOM 30 O LEU A 23 -5.472 9.252 -4.025 1.00 0.00 O ATOM 31 CB LEU A 23 -5.466 8.092 -6.964 1.00 0.00 C ATOM 32 CG LEU A 23 -5.470 8.473 -8.443 1.00 0.00 C ATOM 33 CD1 LEU A 23 -4.215 9.250 -8.810 1.00 0.00 C ATOM 34 CD2 LEU A 23 -5.622 7.234 -9.307 1.00 0.00 C ATOM 0 H LEU A 23 -5.671 10.748 -6.128 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.494 8.421 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.480 8.297 -6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.634 7.019 -6.873 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.324 9.124 -8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.244 9.509 -9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.165 10.162 -8.215 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.336 8.637 -8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.623 7.522 -10.358 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.791 6.554 -9.118 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.561 6.735 -9.066 1.00 0.00 H new ATOM 46 N ARG A 24 -7.136 7.739 -4.072 1.00 0.00 N ATOM 47 CA ARG A 24 -7.079 7.462 -2.641 1.00 0.00 C ATOM 48 C ARG A 24 -6.426 6.113 -2.351 1.00 0.00 C ATOM 49 O ARG A 24 -6.860 5.075 -2.852 1.00 0.00 O ATOM 50 CB ARG A 24 -8.492 7.519 -2.042 1.00 0.00 C ATOM 51 CG ARG A 24 -8.680 6.676 -0.787 1.00 0.00 C ATOM 52 CD ARG A 24 -9.697 7.299 0.156 1.00 0.00 C ATOM 53 NE ARG A 24 -11.048 7.270 -0.400 1.00 0.00 N ATOM 54 CZ ARG A 24 -12.153 7.401 0.330 1.00 0.00 C ATOM 55 NH1 ARG A 24 -12.074 7.572 1.644 1.00 0.00 N ATOM 56 NH2 ARG A 24 -13.342 7.362 -0.256 1.00 0.00 N ATOM 0 H ARG A 24 -7.845 7.207 -4.576 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.460 8.227 -2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.732 8.556 -1.807 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.206 7.189 -2.796 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.007 5.674 -1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.725 6.568 -0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.685 6.766 1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.413 8.330 0.365 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.150 7.142 -1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.162 7.604 2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.925 7.672 2.197 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.409 7.232 -1.265 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.189 7.462 0.303 1.00 0.00 H new ATOM 70 N LEU A 25 -5.387 6.146 -1.525 1.00 0.00 N ATOM 71 CA LEU A 25 -4.666 4.945 -1.138 1.00 0.00 C ATOM 72 C LEU A 25 -5.277 4.346 0.126 1.00 0.00 C ATOM 73 O LEU A 25 -5.711 5.073 1.019 1.00 0.00 O ATOM 74 CB LEU A 25 -3.197 5.280 -0.894 1.00 0.00 C ATOM 75 CG LEU A 25 -2.216 4.140 -1.142 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.781 4.601 -0.933 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.528 2.963 -0.240 1.00 0.00 C ATOM 0 H LEU A 25 -5.024 7.003 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.740 4.215 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.922 6.119 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.085 5.615 0.137 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.324 3.822 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.101 3.769 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.555 5.413 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.657 4.952 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.817 2.159 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.453 3.273 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.539 2.609 -0.441 1.00 0.00 H new ATOM 89 N SER A 26 -5.314 3.021 0.196 1.00 0.00 N ATOM 90 CA SER A 26 -5.880 2.336 1.357 1.00 0.00 C ATOM 91 C SER A 26 -5.120 1.037 1.659 1.00 0.00 C ATOM 92 O SER A 26 -5.213 0.074 0.901 1.00 0.00 O ATOM 93 CB SER A 26 -7.359 2.023 1.108 1.00 0.00 C ATOM 94 OG SER A 26 -7.839 2.701 -0.041 1.00 0.00 O ATOM 0 H SER A 26 -4.961 2.400 -0.532 1.00 0.00 H new ATOM 0 HA SER A 26 -5.786 2.996 2.219 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.490 0.948 0.981 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.947 2.315 1.978 1.00 0.00 H new ATOM 0 HG SER A 26 -8.785 2.483 -0.178 1.00 0.00 H new ATOM 100 N VAL A 27 -4.372 1.008 2.766 1.00 0.00 N ATOM 101 CA VAL A 27 -3.611 -0.191 3.135 1.00 0.00 C ATOM 102 C VAL A 27 -4.314 -1.000 4.218 1.00 0.00 C ATOM 103 O VAL A 27 -4.612 -0.492 5.296 1.00 0.00 O ATOM 104 CB VAL A 27 -2.181 0.147 3.613 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.160 0.559 5.080 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.256 -1.034 3.390 1.00 0.00 C ATOM 0 H VAL A 27 -4.277 1.789 3.415 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.546 -0.788 2.226 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.830 0.994 3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.137 0.789 5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.785 1.441 5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.542 -0.257 5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.253 -0.780 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.623 -1.894 3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.227 -1.278 2.328 1.00 0.00 H new ATOM 116 N PHE A 28 -4.566 -2.266 3.923 1.00 0.00 N ATOM 117 CA PHE A 28 -5.226 -3.148 4.868 1.00 0.00 C ATOM 118 C PHE A 28 -4.244 -4.057 5.593 1.00 0.00 C ATOM 119 O PHE A 28 -3.169 -4.377 5.084 1.00 0.00 O ATOM 120 CB PHE A 28 -6.278 -3.999 4.166 1.00 0.00 C ATOM 121 CG PHE A 28 -7.545 -4.083 4.952 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.180 -2.926 5.363 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.086 -5.307 5.301 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.336 -2.983 6.106 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.244 -5.374 6.050 1.00 0.00 C ATOM 126 CZ PHE A 28 -9.872 -4.210 6.454 1.00 0.00 C ATOM 0 H PHE A 28 -4.322 -2.704 3.035 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.705 -2.508 5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.488 -3.577 3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.884 -5.002 4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.763 -1.966 5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.599 -6.218 4.985 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.824 -2.071 6.417 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.659 -6.334 6.320 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.778 -4.259 7.039 1.00 0.00 H new ATOM 136 N ARG A 29 -4.646 -4.477 6.784 1.00 0.00 N ATOM 137 CA ARG A 29 -3.850 -5.366 7.614 1.00 0.00 C ATOM 138 C ARG A 29 -4.776 -6.217 8.473 1.00 0.00 C ATOM 139 O ARG A 29 -5.548 -5.687 9.272 1.00 0.00 O ATOM 140 CB ARG A 29 -2.897 -4.562 8.503 1.00 0.00 C ATOM 141 CG ARG A 29 -2.149 -3.465 7.761 1.00 0.00 C ATOM 142 CD ARG A 29 -1.362 -2.579 8.714 1.00 0.00 C ATOM 143 NE ARG A 29 -2.234 -1.709 9.501 1.00 0.00 N ATOM 144 CZ ARG A 29 -2.750 -2.041 10.684 1.00 0.00 C ATOM 145 NH1 ARG A 29 -2.498 -3.230 11.219 1.00 0.00 N ATOM 146 NH2 ARG A 29 -3.523 -1.181 11.332 1.00 0.00 N ATOM 0 H ARG A 29 -5.537 -4.209 7.202 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.253 -6.013 6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.465 -4.115 9.318 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.174 -5.242 8.954 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.470 -3.914 7.036 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.858 -2.856 7.200 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.772 -3.203 9.385 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.660 -1.969 8.145 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.462 -0.790 9.121 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.906 -3.897 10.724 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.897 -3.476 12.125 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.722 -0.267 10.925 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.919 -1.433 12.238 1.00 0.00 H new ATOM 160 N SER A 30 -4.717 -7.532 8.299 1.00 0.00 N ATOM 161 CA SER A 30 -5.582 -8.427 9.065 1.00 0.00 C ATOM 162 C SER A 30 -4.920 -8.836 10.378 1.00 0.00 C ATOM 163 O SER A 30 -5.548 -8.823 11.437 1.00 0.00 O ATOM 164 CB SER A 30 -5.919 -9.671 8.241 1.00 0.00 C ATOM 165 OG SER A 30 -7.211 -10.158 8.557 1.00 0.00 O ATOM 0 H SER A 30 -4.089 -7.999 7.645 1.00 0.00 H new ATOM 0 HA SER A 30 -6.503 -7.891 9.296 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.867 -9.432 7.179 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.178 -10.448 8.430 1.00 0.00 H new ATOM 0 HG SER A 30 -7.403 -10.952 8.016 1.00 0.00 H new ATOM 171 N LEU A 31 -3.647 -9.195 10.295 1.00 0.00 N ATOM 172 CA LEU A 31 -2.874 -9.609 11.461 1.00 0.00 C ATOM 173 C LEU A 31 -1.459 -9.956 11.027 1.00 0.00 C ATOM 174 O LEU A 31 -0.494 -9.294 11.408 1.00 0.00 O ATOM 175 CB LEU A 31 -3.528 -10.813 12.142 1.00 0.00 C ATOM 176 CG LEU A 31 -3.346 -10.875 13.660 1.00 0.00 C ATOM 177 CD1 LEU A 31 -3.938 -9.639 14.319 1.00 0.00 C ATOM 178 CD2 LEU A 31 -3.984 -12.137 14.221 1.00 0.00 C ATOM 0 H LEU A 31 -3.121 -9.208 9.421 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.844 -8.789 12.178 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.595 -10.802 11.919 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.120 -11.724 11.705 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.278 -10.902 13.879 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.799 -9.700 15.398 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.437 -8.749 13.939 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.003 -9.581 14.093 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.845 -12.165 15.302 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.050 -12.139 13.992 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.515 -13.012 13.772 1.00 0.00 H new ATOM 190 N LYS A 32 -1.358 -10.981 10.193 1.00 0.00 N ATOM 191 CA LYS A 32 -0.079 -11.414 9.652 1.00 0.00 C ATOM 192 C LYS A 32 -0.074 -11.204 8.141 1.00 0.00 C ATOM 193 O LYS A 32 0.682 -11.845 7.411 1.00 0.00 O ATOM 194 CB LYS A 32 0.173 -12.886 9.982 1.00 0.00 C ATOM 195 CG LYS A 32 0.742 -13.107 11.374 1.00 0.00 C ATOM 196 CD LYS A 32 1.853 -14.145 11.366 1.00 0.00 C ATOM 197 CE LYS A 32 1.831 -14.996 12.626 1.00 0.00 C ATOM 198 NZ LYS A 32 2.862 -14.559 13.608 1.00 0.00 N ATOM 0 H LYS A 32 -2.155 -11.532 9.874 1.00 0.00 H new ATOM 0 HA LYS A 32 0.718 -10.823 10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.763 -13.436 9.889 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.861 -13.302 9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.126 -12.165 11.764 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.053 -13.430 12.046 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.747 -14.786 10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.818 -13.646 11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.844 -14.939 13.086 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.000 -16.040 12.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.815 -15.164 14.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.806 -14.637 13.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.686 -13.571 13.879 1.00 0.00 H new ATOM 212 N HIS A 33 -0.942 -10.301 7.684 1.00 0.00 N ATOM 213 CA HIS A 33 -1.070 -9.993 6.268 1.00 0.00 C ATOM 214 C HIS A 33 -0.824 -8.512 6.008 1.00 0.00 C ATOM 215 O HIS A 33 -0.682 -7.722 6.941 1.00 0.00 O ATOM 216 CB HIS A 33 -2.468 -10.369 5.778 1.00 0.00 C ATOM 217 CG HIS A 33 -2.622 -11.822 5.467 1.00 0.00 C ATOM 218 ND1 HIS A 33 -2.807 -12.453 4.287 1.00 0.00 N flip ATOM 219 CD2 HIS A 33 -2.596 -12.810 6.429 1.00 0.00 C flip ATOM 220 CE1 HIS A 33 -2.889 -13.797 4.552 1.00 0.00 C flip ATOM 221 NE2 HIS A 33 -2.759 -13.987 5.852 1.00 0.00 N flip ATOM 0 H HIS A 33 -1.571 -9.768 8.285 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.322 -10.571 5.726 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.198 -10.089 6.538 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.699 -9.788 4.885 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.463 -12.647 7.488 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.036 -14.574 3.816 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.781 -14.888 6.329 1.00 0.00 H new ATOM 230 N ILE A 34 -0.776 -8.143 4.733 1.00 0.00 N ATOM 231 CA ILE A 34 -0.550 -6.768 4.345 1.00 0.00 C ATOM 232 C ILE A 34 -1.061 -6.531 2.925 1.00 0.00 C ATOM 233 O ILE A 34 -0.785 -7.321 2.023 1.00 0.00 O ATOM 234 CB ILE A 34 0.946 -6.431 4.408 1.00 0.00 C ATOM 235 CG1 ILE A 34 1.185 -5.015 3.899 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.738 -7.442 3.593 1.00 0.00 C ATOM 237 CD1 ILE A 34 0.446 -3.964 4.695 1.00 0.00 C ATOM 0 H ILE A 34 -0.892 -8.787 3.950 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.091 -6.124 5.038 1.00 0.00 H new ATOM 0 HB ILE A 34 1.284 -6.482 5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.253 -4.800 3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.877 -4.954 2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.799 -7.197 3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.577 -8.441 3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.406 -7.413 2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.659 -2.978 4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.626 -4.156 4.644 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.772 -3.999 5.735 1.00 0.00 H new ATOM 249 N TYR A 35 -1.811 -5.451 2.730 1.00 0.00 N ATOM 250 CA TYR A 35 -2.361 -5.134 1.418 1.00 0.00 C ATOM 251 C TYR A 35 -2.476 -3.629 1.216 1.00 0.00 C ATOM 252 O TYR A 35 -2.724 -2.887 2.157 1.00 0.00 O ATOM 253 CB TYR A 35 -3.752 -5.758 1.260 1.00 0.00 C ATOM 254 CG TYR A 35 -3.749 -7.265 1.137 1.00 0.00 C ATOM 255 CD1 TYR A 35 -3.450 -8.069 2.227 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.054 -7.881 -0.070 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.449 -9.444 2.120 1.00 0.00 C ATOM 258 CE2 TYR A 35 -4.058 -9.257 -0.186 1.00 0.00 C ATOM 259 CZ TYR A 35 -3.754 -10.035 0.911 1.00 0.00 C ATOM 260 OH TYR A 35 -3.756 -11.406 0.800 1.00 0.00 O ATOM 0 H TYR A 35 -2.051 -4.783 3.462 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.680 -5.543 0.671 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.363 -5.477 2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.229 -5.334 0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.214 -7.610 3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.292 -7.274 -0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.211 -10.055 2.978 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.298 -9.721 -1.131 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.992 -11.660 -0.117 1.00 0.00 H new ATOM 270 N ALA A 36 -2.331 -3.193 -0.026 1.00 0.00 N ATOM 271 CA ALA A 36 -2.465 -1.780 -0.361 1.00 0.00 C ATOM 272 C ALA A 36 -3.328 -1.623 -1.598 1.00 0.00 C ATOM 273 O ALA A 36 -3.010 -2.157 -2.661 1.00 0.00 O ATOM 274 CB ALA A 36 -1.115 -1.113 -0.582 1.00 0.00 C ATOM 0 H ALA A 36 -2.120 -3.797 -0.821 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.940 -1.285 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.265 -0.062 -0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.518 -1.191 0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.595 -1.608 -1.402 1.00 0.00 H new ATOM 280 N GLN A 37 -4.419 -0.891 -1.458 1.00 0.00 N ATOM 281 CA GLN A 37 -5.324 -0.668 -2.569 1.00 0.00 C ATOM 282 C GLN A 37 -5.283 0.785 -3.002 1.00 0.00 C ATOM 283 O GLN A 37 -5.719 1.677 -2.274 1.00 0.00 O ATOM 284 CB GLN A 37 -6.754 -1.057 -2.187 1.00 0.00 C ATOM 285 CG GLN A 37 -7.645 -1.351 -3.383 1.00 0.00 C ATOM 286 CD GLN A 37 -8.586 -2.514 -3.137 1.00 0.00 C ATOM 287 OE1 GLN A 37 -9.795 -2.404 -3.345 1.00 0.00 O ATOM 288 NE2 GLN A 37 -8.036 -3.637 -2.691 1.00 0.00 N ATOM 0 H GLN A 37 -4.699 -0.442 -0.586 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.001 -1.294 -3.401 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.723 -1.936 -1.543 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.198 -0.250 -1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.228 -0.462 -3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.022 -1.570 -4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.029 -3.684 -2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.620 -4.453 -2.507 1.00 0.00 H new ATOM 297 N ILE A 38 -4.773 1.013 -4.199 1.00 0.00 N ATOM 298 CA ILE A 38 -4.692 2.354 -4.743 1.00 0.00 C ATOM 299 C ILE A 38 -5.870 2.570 -5.679 1.00 0.00 C ATOM 300 O ILE A 38 -5.920 2.007 -6.777 1.00 0.00 O ATOM 301 CB ILE A 38 -3.365 2.611 -5.486 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.235 1.699 -4.945 1.00 0.00 C ATOM 303 CG2 ILE A 38 -3.001 4.085 -5.376 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.318 2.330 -3.914 1.00 0.00 C ATOM 0 H ILE A 38 -4.408 0.285 -4.813 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.726 3.061 -3.914 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.491 2.362 -6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.689 0.811 -4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.629 1.364 -5.787 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.063 4.268 -5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.791 4.689 -5.823 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.888 4.354 -4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.565 1.605 -3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.826 3.200 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.903 2.639 -3.047 1.00 0.00 H new ATOM 316 N ILE A 39 -6.842 3.343 -5.204 1.00 0.00 N ATOM 317 CA ILE A 39 -8.067 3.592 -5.961 1.00 0.00 C ATOM 318 C ILE A 39 -8.155 5.011 -6.516 1.00 0.00 C ATOM 319 O ILE A 39 -7.504 5.932 -6.026 1.00 0.00 O ATOM 320 CB ILE A 39 -9.304 3.347 -5.072 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.180 2.009 -4.343 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.580 3.393 -5.898 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.540 2.128 -2.977 1.00 0.00 C ATOM 0 H ILE A 39 -6.806 3.809 -4.297 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.043 2.900 -6.803 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.355 4.142 -4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.171 1.569 -4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.592 1.324 -4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.439 3.218 -5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.674 4.372 -6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.543 2.623 -6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.483 1.142 -2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.536 2.539 -3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.140 2.788 -2.350 1.00 0.00 H new ATOM 335 N ASP A 40 -9.007 5.169 -7.528 1.00 0.00 N ATOM 336 CA ASP A 40 -9.249 6.459 -8.153 1.00 0.00 C ATOM 337 C ASP A 40 -10.376 7.161 -7.410 1.00 0.00 C ATOM 338 O ASP A 40 -11.512 6.662 -7.379 1.00 0.00 O ATOM 339 CB ASP A 40 -9.622 6.288 -9.629 1.00 0.00 C ATOM 340 CG ASP A 40 -8.709 7.066 -10.555 1.00 0.00 C ATOM 341 OD1 ASP A 40 -8.284 8.178 -10.175 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.418 6.565 -11.662 1.00 0.00 O ATOM 0 H ASP A 40 -9.546 4.404 -7.934 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.339 7.057 -8.103 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.582 5.230 -9.890 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.651 6.615 -9.780 1.00 0.00 H new ATOM 347 N ASP A 41 -10.035 8.298 -6.801 1.00 0.00 N ATOM 348 CA ASP A 41 -10.974 9.099 -6.013 1.00 0.00 C ATOM 349 C ASP A 41 -11.667 10.171 -6.853 1.00 0.00 C ATOM 350 O ASP A 41 -12.201 11.144 -6.321 1.00 0.00 O ATOM 351 CB ASP A 41 -10.248 9.756 -4.838 1.00 0.00 C ATOM 352 CG ASP A 41 -11.204 10.249 -3.770 1.00 0.00 C ATOM 353 OD1 ASP A 41 -12.294 9.656 -3.629 1.00 0.00 O ATOM 354 OD2 ASP A 41 -10.863 11.229 -3.075 1.00 0.00 O ATOM 0 H ASP A 41 -9.095 8.691 -6.841 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.743 8.421 -5.642 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.554 9.040 -4.398 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.654 10.593 -5.204 1.00 0.00 H new ATOM 359 N GLU A 42 -11.704 9.952 -8.156 1.00 0.00 N ATOM 360 CA GLU A 42 -12.388 10.855 -9.078 1.00 0.00 C ATOM 361 C GLU A 42 -13.598 10.094 -9.560 1.00 0.00 C ATOM 362 O GLU A 42 -14.736 10.560 -9.513 1.00 0.00 O ATOM 363 CB GLU A 42 -11.484 11.251 -10.251 1.00 0.00 C ATOM 364 CG GLU A 42 -10.654 10.103 -10.801 1.00 0.00 C ATOM 365 CD GLU A 42 -9.633 10.562 -11.824 1.00 0.00 C ATOM 366 OE1 GLU A 42 -9.896 11.569 -12.514 1.00 0.00 O ATOM 367 OE2 GLU A 42 -8.571 9.913 -11.936 1.00 0.00 O ATOM 0 H GLU A 42 -11.265 9.149 -8.607 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.664 11.789 -8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.101 11.657 -11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.815 12.049 -9.929 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.141 9.604 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.316 9.367 -11.258 1.00 0.00 H new ATOM 374 N LYS A 43 -13.306 8.860 -9.920 1.00 0.00 N ATOM 375 CA LYS A 43 -14.285 7.888 -10.312 1.00 0.00 C ATOM 376 C LYS A 43 -13.909 6.639 -9.546 1.00 0.00 C ATOM 377 O LYS A 43 -12.801 6.137 -9.714 1.00 0.00 O ATOM 378 CB LYS A 43 -14.229 7.626 -11.817 1.00 0.00 C ATOM 379 CG LYS A 43 -14.500 8.859 -12.660 1.00 0.00 C ATOM 380 CD LYS A 43 -15.926 9.356 -12.484 1.00 0.00 C ATOM 381 CE LYS A 43 -16.886 8.654 -13.432 1.00 0.00 C ATOM 382 NZ LYS A 43 -17.690 9.623 -14.226 1.00 0.00 N ATOM 0 H LYS A 43 -12.351 8.504 -9.946 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.300 8.223 -10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.246 7.231 -12.072 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.957 6.856 -12.070 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.802 9.649 -12.384 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.322 8.629 -13.710 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.245 9.191 -11.455 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.961 10.431 -12.660 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.323 8.010 -14.108 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.554 8.010 -12.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -18.332 9.105 -14.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.247 10.221 -13.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.054 10.221 -14.791 1.00 0.00 H new ATOM 396 N GLY A 44 -14.791 6.156 -8.683 1.00 0.00 N ATOM 397 CA GLY A 44 -14.462 4.983 -7.895 1.00 0.00 C ATOM 398 C GLY A 44 -13.855 3.891 -8.746 1.00 0.00 C ATOM 399 O GLY A 44 -14.567 3.033 -9.267 1.00 0.00 O ATOM 0 H GLY A 44 -15.717 6.548 -8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.764 5.259 -7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.362 4.607 -7.408 1.00 0.00 H new ATOM 403 N VAL A 45 -12.537 3.951 -8.931 1.00 0.00 N ATOM 404 CA VAL A 45 -11.863 2.974 -9.784 1.00 0.00 C ATOM 405 C VAL A 45 -10.580 2.422 -9.166 1.00 0.00 C ATOM 406 O VAL A 45 -9.587 3.131 -9.048 1.00 0.00 O ATOM 407 CB VAL A 45 -11.513 3.613 -11.145 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.811 2.614 -12.054 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.762 4.167 -11.819 1.00 0.00 C ATOM 0 H VAL A 45 -11.925 4.651 -8.511 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.560 2.145 -9.907 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.828 4.440 -10.960 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.576 3.091 -13.006 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.889 2.276 -11.580 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.464 1.759 -12.228 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.492 4.612 -12.776 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.475 3.359 -11.983 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.214 4.926 -11.180 1.00 0.00 H new ATOM 419 N THR A 46 -10.588 1.137 -8.820 1.00 0.00 N ATOM 420 CA THR A 46 -9.399 0.499 -8.262 1.00 0.00 C ATOM 421 C THR A 46 -8.363 0.312 -9.364 1.00 0.00 C ATOM 422 O THR A 46 -8.585 -0.437 -10.315 1.00 0.00 O ATOM 423 CB THR A 46 -9.750 -0.852 -7.631 1.00 0.00 C ATOM 424 OG1 THR A 46 -10.958 -0.763 -6.897 1.00 0.00 O ATOM 425 CG2 THR A 46 -8.679 -1.372 -6.692 1.00 0.00 C ATOM 0 H THR A 46 -11.396 0.522 -8.915 1.00 0.00 H new ATOM 0 HA THR A 46 -8.989 1.139 -7.481 1.00 0.00 H new ATOM 0 HB THR A 46 -9.845 -1.545 -8.467 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.166 -1.636 -6.503 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.991 -2.332 -6.280 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.745 -1.499 -7.240 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.530 -0.660 -5.880 1.00 0.00 H new ATOM 433 N LEU A 47 -7.242 1.015 -9.248 1.00 0.00 N ATOM 434 CA LEU A 47 -6.193 0.937 -10.257 1.00 0.00 C ATOM 435 C LEU A 47 -5.186 -0.162 -9.952 1.00 0.00 C ATOM 436 O LEU A 47 -4.958 -1.046 -10.779 1.00 0.00 O ATOM 437 CB LEU A 47 -5.468 2.276 -10.385 1.00 0.00 C ATOM 438 CG LEU A 47 -6.365 3.504 -10.307 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.549 3.952 -8.866 1.00 0.00 C ATOM 440 CD2 LEU A 47 -5.794 4.630 -11.152 1.00 0.00 C ATOM 0 H LEU A 47 -7.037 1.642 -8.470 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.680 0.695 -11.202 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.717 2.342 -9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.935 2.294 -11.336 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.345 3.238 -10.702 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.194 4.831 -8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.007 3.147 -8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.579 4.200 -8.435 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.446 5.501 -11.086 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.801 4.892 -10.786 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.725 4.306 -12.191 1.00 0.00 H new ATOM 452 N VAL A 48 -4.563 -0.100 -8.780 1.00 0.00 N ATOM 453 CA VAL A 48 -3.567 -1.092 -8.415 1.00 0.00 C ATOM 454 C VAL A 48 -3.804 -1.648 -7.012 1.00 0.00 C ATOM 455 O VAL A 48 -4.363 -0.976 -6.145 1.00 0.00 O ATOM 456 CB VAL A 48 -2.147 -0.487 -8.511 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.195 -1.143 -7.527 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.615 -0.601 -9.932 1.00 0.00 C ATOM 0 H VAL A 48 -4.730 0.619 -8.076 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.657 -1.919 -9.119 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.216 0.569 -8.248 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.207 -0.693 -7.622 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.564 -0.997 -6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.130 -2.210 -7.740 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.615 -0.170 -9.982 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.573 -1.651 -10.222 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.276 -0.063 -10.612 1.00 0.00 H new ATOM 468 N SER A 49 -3.354 -2.881 -6.805 1.00 0.00 N ATOM 469 CA SER A 49 -3.482 -3.553 -5.519 1.00 0.00 C ATOM 470 C SER A 49 -2.330 -4.534 -5.328 1.00 0.00 C ATOM 471 O SER A 49 -2.151 -5.456 -6.124 1.00 0.00 O ATOM 472 CB SER A 49 -4.823 -4.282 -5.430 1.00 0.00 C ATOM 473 OG SER A 49 -4.908 -5.317 -6.393 1.00 0.00 O ATOM 0 H SER A 49 -2.892 -3.440 -7.522 1.00 0.00 H new ATOM 0 HA SER A 49 -3.444 -2.806 -4.726 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.947 -4.700 -4.431 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.636 -3.573 -5.582 1.00 0.00 H new ATOM 0 HG SER A 49 -4.006 -5.596 -6.654 1.00 0.00 H new ATOM 479 N ALA A 50 -1.537 -4.321 -4.283 1.00 0.00 N ATOM 480 CA ALA A 50 -0.388 -5.183 -4.013 1.00 0.00 C ATOM 481 C ALA A 50 -0.366 -5.676 -2.569 1.00 0.00 C ATOM 482 O ALA A 50 -0.813 -4.983 -1.655 1.00 0.00 O ATOM 483 CB ALA A 50 0.903 -4.446 -4.336 1.00 0.00 C ATOM 0 H ALA A 50 -1.666 -3.564 -3.612 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.478 -6.060 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.754 -5.096 -4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.907 -4.163 -5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.975 -3.550 -3.719 1.00 0.00 H new ATOM 489 N SER A 51 0.168 -6.880 -2.378 1.00 0.00 N ATOM 490 CA SER A 51 0.267 -7.483 -1.052 1.00 0.00 C ATOM 491 C SER A 51 1.476 -8.416 -0.973 1.00 0.00 C ATOM 492 O SER A 51 1.770 -9.143 -1.922 1.00 0.00 O ATOM 493 CB SER A 51 -1.016 -8.252 -0.722 1.00 0.00 C ATOM 494 OG SER A 51 -1.837 -8.395 -1.868 1.00 0.00 O ATOM 0 H SER A 51 0.541 -7.460 -3.130 1.00 0.00 H new ATOM 0 HA SER A 51 0.398 -6.685 -0.321 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.762 -9.236 -0.328 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.566 -7.728 0.060 1.00 0.00 H new ATOM 0 HG SER A 51 -2.779 -8.384 -1.599 1.00 0.00 H new ATOM 500 N SER A 52 2.180 -8.389 0.159 1.00 0.00 N ATOM 501 CA SER A 52 3.362 -9.234 0.349 1.00 0.00 C ATOM 502 C SER A 52 3.064 -10.696 0.016 1.00 0.00 C ATOM 503 O SER A 52 3.588 -11.240 -0.956 1.00 0.00 O ATOM 504 CB SER A 52 3.871 -9.123 1.786 1.00 0.00 C ATOM 505 OG SER A 52 5.274 -9.309 1.846 1.00 0.00 O ATOM 0 H SER A 52 1.954 -7.794 0.956 1.00 0.00 H new ATOM 0 HA SER A 52 4.133 -8.880 -0.335 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.613 -8.145 2.192 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.375 -9.867 2.409 1.00 0.00 H new ATOM 0 HG SER A 52 5.575 -9.232 2.775 1.00 0.00 H new ATOM 511 N LEU A 53 2.221 -11.328 0.830 1.00 0.00 N ATOM 512 CA LEU A 53 1.853 -12.732 0.626 1.00 0.00 C ATOM 513 C LEU A 53 1.224 -12.964 -0.749 1.00 0.00 C ATOM 514 O LEU A 53 1.013 -14.107 -1.156 1.00 0.00 O ATOM 515 CB LEU A 53 0.891 -13.200 1.729 1.00 0.00 C ATOM 516 CG LEU A 53 -0.543 -12.666 1.643 1.00 0.00 C ATOM 517 CD1 LEU A 53 -0.549 -11.169 1.385 1.00 0.00 C ATOM 518 CD2 LEU A 53 -1.329 -13.402 0.567 1.00 0.00 C ATOM 0 H LEU A 53 1.778 -10.892 1.639 1.00 0.00 H new ATOM 0 HA LEU A 53 2.771 -13.318 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.853 -14.289 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.308 -12.910 2.694 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.029 -12.845 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.578 -10.814 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.033 -10.658 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.040 -10.960 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.344 -13.007 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.843 -13.262 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.364 -14.465 0.805 1.00 0.00 H new ATOM 530 N ALA A 54 0.920 -11.883 -1.458 1.00 0.00 N ATOM 531 CA ALA A 54 0.311 -11.976 -2.776 1.00 0.00 C ATOM 532 C ALA A 54 1.279 -12.541 -3.803 1.00 0.00 C ATOM 533 O ALA A 54 1.036 -13.595 -4.392 1.00 0.00 O ATOM 534 CB ALA A 54 -0.151 -10.605 -3.224 1.00 0.00 C ATOM 0 H ALA A 54 1.087 -10.929 -1.139 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.540 -12.653 -2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.606 -10.679 -4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.883 -10.218 -2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.703 -9.930 -3.268 1.00 0.00 H new ATOM 540 N LEU A 55 2.368 -11.817 -4.029 1.00 0.00 N ATOM 541 CA LEU A 55 3.368 -12.225 -5.003 1.00 0.00 C ATOM 542 C LEU A 55 3.835 -13.652 -4.763 1.00 0.00 C ATOM 543 O LEU A 55 3.826 -14.481 -5.672 1.00 0.00 O ATOM 544 CB LEU A 55 4.567 -11.284 -4.927 1.00 0.00 C ATOM 545 CG LEU A 55 4.488 -10.074 -5.844 1.00 0.00 C ATOM 546 CD1 LEU A 55 3.723 -8.941 -5.177 1.00 0.00 C ATOM 547 CD2 LEU A 55 5.882 -9.626 -6.234 1.00 0.00 C ATOM 0 H LEU A 55 2.580 -10.942 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 55 2.911 -12.178 -5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.674 -10.937 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.469 -11.847 -5.169 1.00 0.00 H new ATOM 0 HG LEU A 55 3.948 -10.356 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.679 -8.086 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.711 -9.273 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.230 -8.652 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.815 -8.759 -6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.443 -9.360 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.392 -10.437 -6.754 1.00 0.00 H new ATOM 559 N LYS A 56 4.238 -13.931 -3.534 1.00 0.00 N ATOM 560 CA LYS A 56 4.705 -15.265 -3.173 1.00 0.00 C ATOM 561 C LYS A 56 5.168 -15.311 -1.723 1.00 0.00 C ATOM 562 O LYS A 56 4.971 -16.305 -1.025 1.00 0.00 O ATOM 563 CB LYS A 56 5.847 -15.703 -4.096 1.00 0.00 C ATOM 564 CG LYS A 56 5.726 -17.141 -4.573 1.00 0.00 C ATOM 565 CD LYS A 56 7.078 -17.712 -4.968 1.00 0.00 C ATOM 566 CE LYS A 56 6.975 -19.184 -5.335 1.00 0.00 C ATOM 567 NZ LYS A 56 8.288 -19.878 -5.220 1.00 0.00 N ATOM 0 H LYS A 56 4.252 -13.256 -2.770 1.00 0.00 H new ATOM 0 HA LYS A 56 3.867 -15.952 -3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.876 -15.043 -4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.794 -15.582 -3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.288 -17.752 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.047 -17.187 -5.425 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.478 -17.152 -5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.781 -17.590 -4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.249 -19.671 -4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.602 -19.279 -6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.175 -20.879 -5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.975 -19.430 -5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.632 -19.810 -4.241 1.00 0.00 H new ATOM 581 N LEU A 57 5.810 -14.232 -1.290 1.00 0.00 N ATOM 582 CA LEU A 57 6.335 -14.151 0.072 1.00 0.00 C ATOM 583 C LEU A 57 5.263 -13.721 1.064 1.00 0.00 C ATOM 584 O LEU A 57 4.728 -12.617 0.977 1.00 0.00 O ATOM 585 CB LEU A 57 7.525 -13.186 0.148 1.00 0.00 C ATOM 586 CG LEU A 57 7.446 -11.963 -0.755 1.00 0.00 C ATOM 587 CD1 LEU A 57 8.244 -10.820 -0.155 1.00 0.00 C ATOM 588 CD2 LEU A 57 7.949 -12.288 -2.154 1.00 0.00 C ATOM 0 H LEU A 57 5.980 -13.403 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 57 6.671 -15.152 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.628 -12.847 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.432 -13.738 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 57 6.402 -11.660 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.181 -9.950 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.838 -10.568 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.287 -11.120 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.883 -11.398 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.987 -12.617 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.339 -13.082 -2.585 1.00 0.00 H new ATOM 600 N LYS A 58 4.965 -14.602 2.015 1.00 0.00 N ATOM 601 CA LYS A 58 3.963 -14.321 3.035 1.00 0.00 C ATOM 602 C LYS A 58 4.475 -13.283 4.027 1.00 0.00 C ATOM 603 O LYS A 58 5.598 -13.382 4.523 1.00 0.00 O ATOM 604 CB LYS A 58 3.585 -15.607 3.773 1.00 0.00 C ATOM 605 CG LYS A 58 2.542 -15.404 4.861 1.00 0.00 C ATOM 606 CD LYS A 58 2.405 -16.638 5.737 1.00 0.00 C ATOM 607 CE LYS A 58 1.569 -16.355 6.976 1.00 0.00 C ATOM 608 NZ LYS A 58 2.397 -16.343 8.213 1.00 0.00 N ATOM 0 H LYS A 58 5.405 -15.518 2.099 1.00 0.00 H new ATOM 0 HA LYS A 58 3.078 -13.919 2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.208 -16.332 3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.482 -16.037 4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.819 -14.548 5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.580 -15.171 4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.946 -17.443 5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.394 -16.984 6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.069 -15.393 6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.789 -17.111 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.777 -16.402 9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.045 -17.156 8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.948 -15.462 8.253 1.00 0.00 H new ATOM 622 N GLY A 59 3.645 -12.285 4.309 1.00 0.00 N ATOM 623 CA GLY A 59 4.029 -11.239 5.238 1.00 0.00 C ATOM 624 C GLY A 59 4.161 -11.741 6.662 1.00 0.00 C ATOM 625 O GLY A 59 3.162 -12.016 7.326 1.00 0.00 O ATOM 0 H GLY A 59 2.712 -12.182 3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.978 -10.807 4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.288 -10.440 5.206 1.00 0.00 H new ATOM 629 N ASN A 60 5.398 -11.855 7.134 1.00 0.00 N ATOM 630 CA ASN A 60 5.660 -12.322 8.491 1.00 0.00 C ATOM 631 C ASN A 60 5.803 -11.142 9.447 1.00 0.00 C ATOM 632 O ASN A 60 5.486 -11.246 10.632 1.00 0.00 O ATOM 633 CB ASN A 60 6.928 -13.178 8.522 1.00 0.00 C ATOM 634 CG ASN A 60 6.628 -14.660 8.418 1.00 0.00 C ATOM 635 OD1 ASN A 60 6.128 -15.134 7.398 1.00 0.00 O ATOM 636 ND2 ASN A 60 6.933 -15.402 9.477 1.00 0.00 N ATOM 0 H ASN A 60 6.235 -11.630 6.597 1.00 0.00 H new ATOM 0 HA ASN A 60 4.815 -12.930 8.813 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.582 -12.884 7.701 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.471 -12.984 9.447 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.754 -16.406 9.465 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.346 -14.968 10.302 1.00 0.00 H new ATOM 643 N LYS A 61 6.283 -10.021 8.921 1.00 0.00 N ATOM 644 CA LYS A 61 6.472 -8.815 9.718 1.00 0.00 C ATOM 645 C LYS A 61 6.724 -7.612 8.811 1.00 0.00 C ATOM 646 O LYS A 61 6.427 -7.655 7.617 1.00 0.00 O ATOM 647 CB LYS A 61 7.639 -9.005 10.694 1.00 0.00 C ATOM 648 CG LYS A 61 8.993 -9.127 10.013 1.00 0.00 C ATOM 649 CD LYS A 61 10.121 -8.698 10.938 1.00 0.00 C ATOM 650 CE LYS A 61 10.352 -7.196 10.879 1.00 0.00 C ATOM 651 NZ LYS A 61 10.593 -6.618 12.230 1.00 0.00 N ATOM 0 H LYS A 61 6.549 -9.922 7.941 1.00 0.00 H new ATOM 0 HA LYS A 61 5.564 -8.629 10.292 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.664 -8.162 11.384 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.460 -9.900 11.290 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.152 -10.158 9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.006 -8.513 9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.885 -8.991 11.961 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.038 -9.219 10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.207 -6.985 10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.486 -6.713 10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.746 -5.593 12.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.767 -6.797 12.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.434 -7.060 12.652 1.00 0.00 H new ATOM 665 N THR A 62 7.276 -6.541 9.376 1.00 0.00 N ATOM 666 CA THR A 62 7.566 -5.338 8.603 1.00 0.00 C ATOM 667 C THR A 62 8.941 -5.435 7.945 1.00 0.00 C ATOM 668 O THR A 62 9.753 -4.514 8.038 1.00 0.00 O ATOM 669 CB THR A 62 7.502 -4.102 9.502 1.00 0.00 C ATOM 670 OG1 THR A 62 8.649 -4.024 10.330 1.00 0.00 O ATOM 671 CG2 THR A 62 6.284 -4.077 10.401 1.00 0.00 C ATOM 0 H THR A 62 7.530 -6.482 10.362 1.00 0.00 H new ATOM 0 HA THR A 62 6.814 -5.247 7.820 1.00 0.00 H new ATOM 0 HB THR A 62 7.448 -3.253 8.821 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.450 -3.936 9.772 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.301 -3.174 11.012 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.381 -4.085 9.791 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.292 -4.953 11.049 1.00 0.00 H new ATOM 679 N GLU A 63 9.195 -6.560 7.281 1.00 0.00 N ATOM 680 CA GLU A 63 10.469 -6.783 6.610 1.00 0.00 C ATOM 681 C GLU A 63 10.394 -6.380 5.140 1.00 0.00 C ATOM 682 O GLU A 63 11.198 -5.577 4.665 1.00 0.00 O ATOM 683 CB GLU A 63 10.877 -8.254 6.728 1.00 0.00 C ATOM 684 CG GLU A 63 11.926 -8.511 7.797 1.00 0.00 C ATOM 685 CD GLU A 63 12.405 -9.949 7.809 1.00 0.00 C ATOM 686 OE1 GLU A 63 12.618 -10.513 6.715 1.00 0.00 O ATOM 687 OE2 GLU A 63 12.567 -10.512 8.912 1.00 0.00 O ATOM 0 H GLU A 63 8.533 -7.331 7.194 1.00 0.00 H new ATOM 0 HA GLU A 63 11.220 -6.161 7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.992 -8.851 6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.260 -8.594 5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.777 -7.850 7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.513 -8.261 8.774 1.00 0.00 H new ATOM 694 N VAL A 64 9.430 -6.948 4.423 1.00 0.00 N ATOM 695 CA VAL A 64 9.259 -6.653 3.006 1.00 0.00 C ATOM 696 C VAL A 64 8.246 -5.537 2.775 1.00 0.00 C ATOM 697 O VAL A 64 8.219 -4.945 1.701 1.00 0.00 O ATOM 698 CB VAL A 64 8.805 -7.901 2.219 1.00 0.00 C ATOM 699 CG1 VAL A 64 8.628 -7.575 0.740 1.00 0.00 C ATOM 700 CG2 VAL A 64 9.797 -9.038 2.406 1.00 0.00 C ATOM 0 H VAL A 64 8.756 -7.614 4.800 1.00 0.00 H new ATOM 0 HA VAL A 64 10.235 -6.329 2.645 1.00 0.00 H new ATOM 0 HB VAL A 64 7.839 -8.220 2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.308 -8.470 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.874 -6.796 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.575 -7.226 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.461 -9.910 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.777 -8.729 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.864 -9.292 3.464 1.00 0.00 H new ATOM 710 N ALA A 65 7.407 -5.261 3.774 1.00 0.00 N ATOM 711 CA ALA A 65 6.383 -4.221 3.654 1.00 0.00 C ATOM 712 C ALA A 65 6.829 -3.084 2.738 1.00 0.00 C ATOM 713 O ALA A 65 6.064 -2.611 1.903 1.00 0.00 O ATOM 714 CB ALA A 65 6.010 -3.680 5.018 1.00 0.00 C ATOM 0 H ALA A 65 7.416 -5.742 4.674 1.00 0.00 H new ATOM 0 HA ALA A 65 5.505 -4.683 3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.248 -2.908 4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.620 -4.489 5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.893 -3.253 5.494 1.00 0.00 H new ATOM 720 N ARG A 66 8.078 -2.667 2.878 1.00 0.00 N ATOM 721 CA ARG A 66 8.615 -1.608 2.035 1.00 0.00 C ATOM 722 C ARG A 66 8.683 -2.094 0.613 1.00 0.00 C ATOM 723 O ARG A 66 8.039 -1.554 -0.283 1.00 0.00 O ATOM 724 CB ARG A 66 10.001 -1.202 2.495 1.00 0.00 C ATOM 725 CG ARG A 66 10.112 0.278 2.729 1.00 0.00 C ATOM 726 CD ARG A 66 11.205 0.893 1.893 1.00 0.00 C ATOM 727 NE ARG A 66 12.505 0.266 2.129 1.00 0.00 N ATOM 728 CZ ARG A 66 13.056 -0.643 1.325 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.424 -1.052 0.231 1.00 0.00 N ATOM 730 NH2 ARG A 66 14.246 -1.148 1.619 1.00 0.00 N ATOM 0 H ARG A 66 8.735 -3.042 3.562 1.00 0.00 H new ATOM 0 HA ARG A 66 7.960 -0.740 2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.246 -1.733 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.733 -1.506 1.747 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.161 0.756 2.494 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.311 0.466 3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.947 0.802 0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.273 1.958 2.114 1.00 0.00 H new ATOM 0 HE ARG A 66 13.024 0.542 2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.507 -0.670 -0.001 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.855 -1.748 -0.377 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.737 -0.841 2.458 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.670 -1.844 1.006 1.00 0.00 H new ATOM 744 N GLN A 67 9.450 -3.148 0.430 1.00 0.00 N ATOM 745 CA GLN A 67 9.588 -3.770 -0.874 1.00 0.00 C ATOM 746 C GLN A 67 8.203 -4.003 -1.473 1.00 0.00 C ATOM 747 O GLN A 67 8.039 -4.064 -2.694 1.00 0.00 O ATOM 748 CB GLN A 67 10.349 -5.092 -0.761 1.00 0.00 C ATOM 749 CG GLN A 67 11.853 -4.942 -0.914 1.00 0.00 C ATOM 750 CD GLN A 67 12.595 -6.244 -0.683 1.00 0.00 C ATOM 751 OE1 GLN A 67 12.723 -7.068 -1.589 1.00 0.00 O ATOM 752 NE2 GLN A 67 13.089 -6.436 0.535 1.00 0.00 N ATOM 0 H GLN A 67 9.991 -3.595 1.170 1.00 0.00 H new ATOM 0 HA GLN A 67 10.156 -3.108 -1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.134 -5.544 0.207 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.981 -5.780 -1.523 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.078 -4.573 -1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.213 -4.193 -0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.959 -5.726 1.256 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.598 -7.293 0.750 1.00 0.00 H new ATOM 761 N VAL A 68 7.191 -4.098 -0.604 1.00 0.00 N ATOM 762 CA VAL A 68 5.830 -4.282 -1.077 1.00 0.00 C ATOM 763 C VAL A 68 5.254 -2.940 -1.498 1.00 0.00 C ATOM 764 O VAL A 68 4.458 -2.857 -2.432 1.00 0.00 O ATOM 765 CB VAL A 68 4.901 -4.981 -0.042 1.00 0.00 C ATOM 766 CG1 VAL A 68 4.140 -4.000 0.849 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.918 -5.868 -0.780 1.00 0.00 C ATOM 0 H VAL A 68 7.292 -4.051 0.410 1.00 0.00 H new ATOM 0 HA VAL A 68 5.877 -4.955 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 68 5.539 -5.568 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.512 -4.554 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.850 -3.389 1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.515 -3.356 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.263 -6.362 -0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.319 -5.261 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.464 -6.620 -1.350 1.00 0.00 H new ATOM 777 N GLY A 69 5.685 -1.881 -0.812 1.00 0.00 N ATOM 778 CA GLY A 69 5.221 -0.558 -1.147 1.00 0.00 C ATOM 779 C GLY A 69 5.918 -0.028 -2.378 1.00 0.00 C ATOM 780 O GLY A 69 5.368 0.799 -3.087 1.00 0.00 O ATOM 0 H GLY A 69 6.344 -1.923 -0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.145 -0.580 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.398 0.115 -0.308 1.00 0.00 H new ATOM 784 N ARG A 70 7.140 -0.506 -2.632 1.00 0.00 N ATOM 785 CA ARG A 70 7.894 -0.070 -3.804 1.00 0.00 C ATOM 786 C ARG A 70 7.351 -0.771 -5.030 1.00 0.00 C ATOM 787 O ARG A 70 7.211 -0.163 -6.084 1.00 0.00 O ATOM 788 CB ARG A 70 9.395 -0.334 -3.638 1.00 0.00 C ATOM 789 CG ARG A 70 9.765 -1.805 -3.612 1.00 0.00 C ATOM 790 CD ARG A 70 10.098 -2.323 -5.001 1.00 0.00 C ATOM 791 NE ARG A 70 10.701 -3.653 -4.957 1.00 0.00 N ATOM 792 CZ ARG A 70 10.731 -4.489 -5.993 1.00 0.00 C ATOM 793 NH1 ARG A 70 10.193 -4.138 -7.155 1.00 0.00 N ATOM 794 NH2 ARG A 70 11.300 -5.680 -5.866 1.00 0.00 N ATOM 0 H ARG A 70 7.622 -1.188 -2.046 1.00 0.00 H new ATOM 0 HA ARG A 70 7.774 1.007 -3.920 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.931 0.150 -4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.735 0.132 -2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.620 -1.954 -2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.938 -2.381 -3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.190 -2.356 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.782 -1.631 -5.492 1.00 0.00 H new ATOM 0 HE ARG A 70 11.124 -3.959 -4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.753 -3.223 -7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.219 -4.783 -7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.714 -5.955 -4.975 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.323 -6.321 -6.659 1.00 0.00 H new ATOM 808 N ALA A 71 6.995 -2.039 -4.877 1.00 0.00 N ATOM 809 CA ALA A 71 6.407 -2.778 -5.979 1.00 0.00 C ATOM 810 C ALA A 71 5.016 -2.222 -6.247 1.00 0.00 C ATOM 811 O ALA A 71 4.560 -2.160 -7.388 1.00 0.00 O ATOM 812 CB ALA A 71 6.334 -4.257 -5.659 1.00 0.00 C ATOM 0 H ALA A 71 7.102 -2.569 -4.012 1.00 0.00 H new ATOM 0 HA ALA A 71 7.029 -2.664 -6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.890 -4.790 -6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.338 -4.640 -5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.721 -4.407 -4.770 1.00 0.00 H new ATOM 818 N LEU A 72 4.365 -1.787 -5.169 1.00 0.00 N ATOM 819 CA LEU A 72 3.041 -1.195 -5.246 1.00 0.00 C ATOM 820 C LEU A 72 3.153 0.187 -5.867 1.00 0.00 C ATOM 821 O LEU A 72 2.478 0.506 -6.843 1.00 0.00 O ATOM 822 CB LEU A 72 2.437 -1.090 -3.843 1.00 0.00 C ATOM 823 CG LEU A 72 0.929 -0.830 -3.765 1.00 0.00 C ATOM 824 CD1 LEU A 72 0.635 0.166 -2.661 1.00 0.00 C ATOM 825 CD2 LEU A 72 0.374 -0.328 -5.089 1.00 0.00 C ATOM 0 H LEU A 72 4.744 -1.837 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 72 2.393 -1.820 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.652 -2.016 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.949 -0.289 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 72 0.437 -1.776 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.439 0.347 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.981 -0.235 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.151 1.103 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.698 -0.156 -4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.868 0.605 -5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.553 -1.073 -5.864 1.00 0.00 H new ATOM 837 N ALA A 73 4.040 0.993 -5.303 1.00 0.00 N ATOM 838 CA ALA A 73 4.282 2.332 -5.810 1.00 0.00 C ATOM 839 C ALA A 73 4.821 2.249 -7.216 1.00 0.00 C ATOM 840 O ALA A 73 4.670 3.174 -8.005 1.00 0.00 O ATOM 841 CB ALA A 73 5.242 3.099 -4.911 1.00 0.00 C ATOM 0 H ALA A 73 4.605 0.741 -4.492 1.00 0.00 H new ATOM 0 HA ALA A 73 3.338 2.876 -5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.402 4.097 -5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.818 3.179 -3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.194 2.570 -4.860 1.00 0.00 H new ATOM 847 N GLU A 74 5.417 1.112 -7.533 1.00 0.00 N ATOM 848 CA GLU A 74 5.938 0.884 -8.856 1.00 0.00 C ATOM 849 C GLU A 74 4.766 0.545 -9.774 1.00 0.00 C ATOM 850 O GLU A 74 4.767 0.869 -10.961 1.00 0.00 O ATOM 851 CB GLU A 74 6.977 -0.233 -8.813 1.00 0.00 C ATOM 852 CG GLU A 74 8.369 0.248 -8.434 1.00 0.00 C ATOM 853 CD GLU A 74 9.253 -0.870 -7.916 1.00 0.00 C ATOM 854 OE1 GLU A 74 8.867 -2.049 -8.061 1.00 0.00 O ATOM 855 OE2 GLU A 74 10.332 -0.565 -7.365 1.00 0.00 O ATOM 0 H GLU A 74 5.549 0.335 -6.885 1.00 0.00 H new ATOM 0 HA GLU A 74 6.439 1.772 -9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.656 -0.990 -8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.021 -0.715 -9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.840 0.705 -9.304 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.286 1.023 -7.672 1.00 0.00 H new ATOM 862 N LYS A 75 3.741 -0.070 -9.177 1.00 0.00 N ATOM 863 CA LYS A 75 2.516 -0.420 -9.877 1.00 0.00 C ATOM 864 C LYS A 75 1.701 0.833 -10.123 1.00 0.00 C ATOM 865 O LYS A 75 1.542 1.285 -11.256 1.00 0.00 O ATOM 866 CB LYS A 75 1.695 -1.379 -9.022 1.00 0.00 C ATOM 867 CG LYS A 75 2.095 -2.810 -9.209 1.00 0.00 C ATOM 868 CD LYS A 75 0.931 -3.758 -8.965 1.00 0.00 C ATOM 869 CE LYS A 75 1.335 -5.207 -9.181 1.00 0.00 C ATOM 870 NZ LYS A 75 0.798 -6.098 -8.116 1.00 0.00 N ATOM 0 H LYS A 75 3.744 -0.337 -8.193 1.00 0.00 H new ATOM 0 HA LYS A 75 2.768 -0.893 -10.826 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.807 -1.109 -7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.639 -1.266 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.474 -2.952 -10.221 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.910 -3.052 -8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.564 -3.630 -7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.109 -3.505 -9.634 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.973 -5.544 -10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.422 -5.281 -9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.096 -7.077 -8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.163 -5.793 -7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.241 -6.047 -8.112 1.00 0.00 H new ATOM 884 N ALA A 76 1.199 1.387 -9.027 1.00 0.00 N ATOM 885 CA ALA A 76 0.400 2.613 -9.067 1.00 0.00 C ATOM 886 C ALA A 76 1.051 3.631 -9.989 1.00 0.00 C ATOM 887 O ALA A 76 0.388 4.296 -10.788 1.00 0.00 O ATOM 888 CB ALA A 76 0.252 3.208 -7.675 1.00 0.00 C ATOM 0 H ALA A 76 1.331 1.006 -8.090 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.590 2.361 -9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.345 4.118 -7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.242 2.488 -7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.237 3.445 -7.274 1.00 0.00 H new ATOM 894 N LEU A 77 2.366 3.729 -9.875 1.00 0.00 N ATOM 895 CA LEU A 77 3.135 4.637 -10.700 1.00 0.00 C ATOM 896 C LEU A 77 2.909 4.349 -12.177 1.00 0.00 C ATOM 897 O LEU A 77 2.818 5.263 -12.996 1.00 0.00 O ATOM 898 CB LEU A 77 4.618 4.509 -10.374 1.00 0.00 C ATOM 899 CG LEU A 77 5.158 5.476 -9.324 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.621 5.171 -9.036 1.00 0.00 C ATOM 901 CD2 LEU A 77 4.991 6.915 -9.791 1.00 0.00 C ATOM 0 H LEU A 77 2.922 3.186 -9.214 1.00 0.00 H new ATOM 0 HA LEU A 77 2.803 5.654 -10.489 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.808 3.491 -10.034 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.185 4.649 -11.294 1.00 0.00 H new ATOM 0 HG LEU A 77 4.589 5.349 -8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.997 5.867 -8.286 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.714 4.151 -8.664 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.202 5.277 -9.952 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.381 7.592 -9.031 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.538 7.061 -10.722 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.934 7.124 -9.955 1.00 0.00 H new ATOM 913 N ALA A 78 2.818 3.067 -12.503 1.00 0.00 N ATOM 914 CA ALA A 78 2.597 2.634 -13.874 1.00 0.00 C ATOM 915 C ALA A 78 1.355 3.298 -14.462 1.00 0.00 C ATOM 916 O ALA A 78 1.236 3.448 -15.678 1.00 0.00 O ATOM 917 CB ALA A 78 2.489 1.124 -13.918 1.00 0.00 C ATOM 0 H ALA A 78 2.895 2.304 -11.830 1.00 0.00 H new ATOM 0 HA ALA A 78 3.446 2.940 -14.485 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.323 0.801 -14.946 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.412 0.682 -13.543 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.654 0.801 -13.297 1.00 0.00 H new ATOM 923 N LEU A 79 0.452 3.731 -13.587 1.00 0.00 N ATOM 924 CA LEU A 79 -0.756 4.422 -14.009 1.00 0.00 C ATOM 925 C LEU A 79 -0.463 5.914 -14.075 1.00 0.00 C ATOM 926 O LEU A 79 -1.097 6.662 -14.820 1.00 0.00 O ATOM 927 CB LEU A 79 -1.915 4.196 -13.023 1.00 0.00 C ATOM 928 CG LEU A 79 -1.793 3.015 -12.055 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.358 3.403 -10.697 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.520 1.797 -12.607 1.00 0.00 C ATOM 0 H LEU A 79 0.537 3.613 -12.577 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.052 4.029 -14.982 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.038 5.104 -12.433 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.829 4.065 -13.601 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.740 2.759 -11.940 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.269 2.560 -10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.802 4.253 -10.301 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.408 3.675 -10.804 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.423 0.967 -11.907 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.575 2.034 -12.745 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.083 1.516 -13.565 1.00 0.00 H new ATOM 942 N GLY A 80 0.499 6.328 -13.259 1.00 0.00 N ATOM 943 CA GLY A 80 0.885 7.714 -13.181 1.00 0.00 C ATOM 944 C GLY A 80 0.417 8.338 -11.884 1.00 0.00 C ATOM 945 O GLY A 80 0.331 9.560 -11.767 1.00 0.00 O ATOM 0 H GLY A 80 1.025 5.710 -12.641 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.969 7.798 -13.258 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.462 8.260 -14.024 1.00 0.00 H new ATOM 949 N ILE A 81 0.111 7.486 -10.905 1.00 0.00 N ATOM 950 CA ILE A 81 -0.353 7.951 -9.610 1.00 0.00 C ATOM 951 C ILE A 81 0.807 8.484 -8.795 1.00 0.00 C ATOM 952 O ILE A 81 1.633 7.730 -8.280 1.00 0.00 O ATOM 953 CB ILE A 81 -1.104 6.829 -8.847 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.506 6.607 -9.443 1.00 0.00 C ATOM 955 CG2 ILE A 81 -1.217 7.154 -7.361 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.689 7.144 -10.851 1.00 0.00 C ATOM 0 H ILE A 81 0.178 6.472 -10.990 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.060 8.765 -9.773 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.525 5.912 -8.957 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.720 5.538 -9.446 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.242 7.077 -8.791 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.748 6.350 -6.852 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.219 7.257 -6.934 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.764 8.088 -7.233 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.706 6.942 -11.188 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.511 8.219 -10.856 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.981 6.656 -11.521 1.00 0.00 H new ATOM 968 N LYS A 82 0.863 9.803 -8.707 1.00 0.00 N ATOM 969 CA LYS A 82 1.905 10.481 -7.994 1.00 0.00 C ATOM 970 C LYS A 82 1.519 10.719 -6.542 1.00 0.00 C ATOM 971 O LYS A 82 2.217 10.291 -5.627 1.00 0.00 O ATOM 972 CB LYS A 82 2.187 11.801 -8.686 1.00 0.00 C ATOM 973 CG LYS A 82 3.465 12.416 -8.217 1.00 0.00 C ATOM 974 CD LYS A 82 4.134 13.242 -9.304 1.00 0.00 C ATOM 975 CE LYS A 82 5.641 13.040 -9.307 1.00 0.00 C ATOM 976 NZ LYS A 82 6.226 13.247 -10.661 1.00 0.00 N ATOM 0 H LYS A 82 0.178 10.426 -9.134 1.00 0.00 H new ATOM 0 HA LYS A 82 2.799 9.858 -7.995 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.235 11.643 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.363 12.491 -8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.266 13.049 -7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.146 11.631 -7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.726 12.965 -10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.907 14.297 -9.152 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.102 13.733 -8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.873 12.033 -8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.255 13.100 -10.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.805 12.569 -11.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.027 14.216 -10.981 1.00 0.00 H new ATOM 990 N GLN A 83 0.402 11.404 -6.339 1.00 0.00 N ATOM 991 CA GLN A 83 -0.081 11.696 -4.997 1.00 0.00 C ATOM 992 C GLN A 83 -1.352 10.914 -4.709 1.00 0.00 C ATOM 993 O GLN A 83 -2.153 10.664 -5.610 1.00 0.00 O ATOM 994 CB GLN A 83 -0.333 13.195 -4.831 1.00 0.00 C ATOM 995 CG GLN A 83 0.588 13.847 -3.817 1.00 0.00 C ATOM 996 CD GLN A 83 -0.159 14.462 -2.651 1.00 0.00 C ATOM 997 OE1 GLN A 83 -1.217 15.068 -2.825 1.00 0.00 O ATOM 998 NE2 GLN A 83 0.390 14.309 -1.451 1.00 0.00 N ATOM 0 H GLN A 83 -0.187 11.768 -7.088 1.00 0.00 H new ATOM 0 HA GLN A 83 0.685 11.392 -4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.207 13.687 -5.795 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.368 13.351 -4.526 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.290 13.103 -3.440 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.177 14.619 -4.312 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.268 13.799 -1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.067 14.701 -0.628 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.535 10.523 -3.454 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.716 9.761 -3.075 1.00 0.00 C ATOM 1009 C VAL A 84 -3.359 10.299 -1.804 1.00 0.00 C ATOM 1010 O VAL A 84 -2.754 11.061 -1.050 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.407 8.259 -2.857 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.475 7.397 -3.495 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -1.040 7.878 -3.397 1.00 0.00 C ATOM 0 H VAL A 84 -0.888 10.718 -2.690 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.405 9.870 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.401 8.084 -1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.240 6.345 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.443 7.626 -3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.513 7.597 -4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.863 6.816 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.002 8.082 -4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.272 8.461 -2.888 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.585 9.854 -1.569 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.342 10.228 -0.387 1.00 0.00 C ATOM 1025 C ALA A 85 -5.420 9.022 0.531 1.00 0.00 C ATOM 1026 O ALA A 85 -6.238 8.127 0.321 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.736 10.702 -0.773 1.00 0.00 C ATOM 0 H ALA A 85 -5.083 9.222 -2.196 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.846 11.051 0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.288 10.978 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.657 11.568 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.263 9.900 -1.291 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.537 8.971 1.517 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.494 7.831 2.414 1.00 0.00 C ATOM 1035 C PHE A 86 -5.541 7.901 3.512 1.00 0.00 C ATOM 1036 O PHE A 86 -5.450 8.710 4.435 1.00 0.00 O ATOM 1037 CB PHE A 86 -3.113 7.678 3.030 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.815 6.254 3.346 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.246 5.425 2.393 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -3.140 5.734 4.585 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -2.001 4.099 2.682 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.905 4.410 4.874 1.00 0.00 C ATOM 1043 CZ PHE A 86 -2.333 3.593 3.923 1.00 0.00 C ATOM 0 H PHE A 86 -3.849 9.698 1.713 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.721 6.957 1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.361 8.065 2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.050 8.275 3.940 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.993 5.819 1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.583 6.374 5.334 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.550 3.458 1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.168 4.012 5.843 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.144 2.554 4.149 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.529 7.023 3.400 1.00 0.00 N ATOM 1054 CA ASP A 87 -7.606 6.940 4.372 1.00 0.00 C ATOM 1055 C ASP A 87 -8.158 5.523 4.442 1.00 0.00 C ATOM 1056 O ASP A 87 -9.129 5.205 3.754 1.00 0.00 O ATOM 1057 CB ASP A 87 -8.721 7.908 3.991 1.00 0.00 C ATOM 1058 CG ASP A 87 -8.906 9.015 5.011 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -9.131 8.698 6.197 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -8.823 10.199 4.622 1.00 0.00 O ATOM 0 H ASP A 87 -6.605 6.352 2.636 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.210 7.208 5.352 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.499 8.348 3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.655 7.357 3.885 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.555 4.666 5.261 1.00 0.00 N ATOM 1066 CA ARG A 88 -8.045 3.302 5.361 1.00 0.00 C ATOM 1067 C ARG A 88 -9.301 3.233 6.224 1.00 0.00 C ATOM 1068 O ARG A 88 -10.139 2.349 6.048 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.991 2.335 5.905 1.00 0.00 C ATOM 1070 CG ARG A 88 -7.213 0.906 5.425 1.00 0.00 C ATOM 1071 CD ARG A 88 -7.532 0.882 3.936 1.00 0.00 C ATOM 1072 NE ARG A 88 -7.521 -0.460 3.358 1.00 0.00 N ATOM 1073 CZ ARG A 88 -8.387 -0.869 2.426 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -9.330 -0.049 1.973 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -8.310 -2.099 1.939 1.00 0.00 N ATOM 0 H ARG A 88 -6.750 4.885 5.848 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.287 2.990 4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.001 2.670 5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.009 2.357 6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.322 0.309 5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -8.031 0.452 5.985 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -8.513 1.330 3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.808 1.502 3.408 1.00 0.00 H new ATOM 0 HE ARG A 88 -6.815 -1.120 3.683 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.397 0.902 2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -9.986 -0.370 1.261 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.588 -2.736 2.275 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.972 -2.408 1.228 1.00 0.00 H new ATOM 1089 N GLY A 89 -9.423 4.171 7.158 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.578 4.198 8.036 1.00 0.00 C ATOM 1091 C GLY A 89 -10.189 4.096 9.500 1.00 0.00 C ATOM 1092 O GLY A 89 -9.626 5.038 10.058 1.00 0.00 O ATOM 0 H GLY A 89 -8.742 4.913 7.322 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.134 5.121 7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.245 3.375 7.781 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.475 2.957 10.156 1.00 0.00 N ATOM 1097 CA PRO A 90 -10.145 2.750 11.561 1.00 0.00 C ATOM 1098 C PRO A 90 -8.762 2.134 11.747 1.00 0.00 C ATOM 1099 O PRO A 90 -8.544 1.342 12.664 1.00 0.00 O ATOM 1100 CB PRO A 90 -11.230 1.775 12.003 1.00 0.00 C ATOM 1101 CG PRO A 90 -11.501 0.937 10.794 1.00 0.00 C ATOM 1102 CD PRO A 90 -11.144 1.775 9.585 1.00 0.00 C ATOM 0 HA PRO A 90 -10.113 3.679 12.130 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.896 1.164 12.842 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.127 2.302 12.329 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.908 0.023 10.818 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.548 0.637 10.760 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.487 1.234 8.904 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.031 2.054 9.017 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.833 2.497 10.868 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.474 1.975 10.934 1.00 0.00 C ATOM 1112 C TYR A 91 -5.544 2.929 11.667 1.00 0.00 C ATOM 1113 O TYR A 91 -5.590 4.142 11.466 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.933 1.712 9.527 1.00 0.00 C ATOM 1115 CG TYR A 91 -6.207 0.314 9.026 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.429 -0.304 9.262 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -5.239 -0.390 8.323 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.677 -1.586 8.812 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.479 -1.670 7.867 1.00 0.00 C ATOM 1120 CZ TYR A 91 -6.700 -2.264 8.115 1.00 0.00 C ATOM 1121 OH TYR A 91 -6.941 -3.543 7.668 1.00 0.00 O ATOM 0 H TYR A 91 -7.997 3.150 10.102 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.512 1.038 11.490 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.376 2.430 8.836 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.857 1.887 9.522 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.197 0.226 9.806 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.282 0.072 8.130 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.631 -2.054 9.005 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.716 -2.204 7.319 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.458 -3.507 6.836 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.688 2.364 12.508 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.725 3.148 13.264 1.00 0.00 C ATOM 1133 C LYS A 92 -2.316 2.867 12.759 1.00 0.00 C ATOM 1134 O LYS A 92 -2.029 1.767 12.287 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.829 2.824 14.757 1.00 0.00 C ATOM 1136 CG LYS A 92 -4.307 3.995 15.601 1.00 0.00 C ATOM 1137 CD LYS A 92 -3.181 4.577 16.441 1.00 0.00 C ATOM 1138 CE LYS A 92 -2.217 5.391 15.592 1.00 0.00 C ATOM 1139 NZ LYS A 92 -1.593 6.500 16.367 1.00 0.00 N ATOM 0 H LYS A 92 -4.642 1.360 12.683 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.945 4.206 13.124 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.513 1.986 14.892 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.853 2.500 15.119 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.715 4.770 14.952 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.116 3.667 16.253 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.599 5.208 17.225 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.640 3.770 16.936 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.437 4.738 15.201 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.748 5.802 14.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.943 7.030 15.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.335 7.138 16.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.065 6.107 17.172 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.442 3.863 12.854 1.00 0.00 N ATOM 1154 CA TYR A 93 -0.062 3.717 12.399 1.00 0.00 C ATOM 1155 C TYR A 93 0.531 2.392 12.881 1.00 0.00 C ATOM 1156 O TYR A 93 0.985 2.281 14.020 1.00 0.00 O ATOM 1157 CB TYR A 93 0.780 4.895 12.902 1.00 0.00 C ATOM 1158 CG TYR A 93 1.935 5.274 11.996 1.00 0.00 C ATOM 1159 CD1 TYR A 93 1.875 5.072 10.620 1.00 0.00 C ATOM 1160 CD2 TYR A 93 3.090 5.838 12.523 1.00 0.00 C ATOM 1161 CE1 TYR A 93 2.931 5.420 9.800 1.00 0.00 C ATOM 1162 CE2 TYR A 93 4.150 6.189 11.709 1.00 0.00 C ATOM 1163 CZ TYR A 93 4.066 5.978 10.349 1.00 0.00 C ATOM 1164 OH TYR A 93 5.120 6.327 9.535 1.00 0.00 O ATOM 0 H TYR A 93 -1.663 4.780 13.242 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.053 3.714 11.309 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.131 5.762 13.025 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.174 4.649 13.888 1.00 0.00 H new ATOM 0 HD1 TYR A 93 0.988 4.636 10.186 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.161 6.005 13.588 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.868 5.256 8.734 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.040 6.627 12.136 1.00 0.00 H new ATOM 0 HH TYR A 93 5.841 6.708 10.079 1.00 0.00 H new ATOM 1174 N HIS A 94 0.510 1.387 12.006 1.00 0.00 N ATOM 1175 CA HIS A 94 1.031 0.064 12.344 1.00 0.00 C ATOM 1176 C HIS A 94 2.313 -0.244 11.576 1.00 0.00 C ATOM 1177 O HIS A 94 2.590 0.363 10.542 1.00 0.00 O ATOM 1178 CB HIS A 94 -0.020 -1.009 12.052 1.00 0.00 C ATOM 1179 CG HIS A 94 0.039 -2.174 12.992 1.00 0.00 C ATOM 1180 ND1 HIS A 94 -0.043 -3.485 12.573 1.00 0.00 N ATOM 1181 CD2 HIS A 94 0.175 -2.219 14.339 1.00 0.00 C ATOM 1182 CE1 HIS A 94 0.039 -4.286 13.620 1.00 0.00 C ATOM 1183 NE2 HIS A 94 0.172 -3.543 14.703 1.00 0.00 N ATOM 0 H HIS A 94 0.138 1.464 11.059 1.00 0.00 H new ATOM 0 HA HIS A 94 1.265 0.062 13.409 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.011 -0.559 12.105 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.113 -1.368 11.032 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.268 -1.372 15.003 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.003 -5.365 13.594 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.259 -3.895 15.656 1.00 0.00 H new ATOM 1192 N GLY A 95 3.091 -1.191 12.101 1.00 0.00 N ATOM 1193 CA GLY A 95 4.349 -1.577 11.476 1.00 0.00 C ATOM 1194 C GLY A 95 4.276 -1.646 9.961 1.00 0.00 C ATOM 1195 O GLY A 95 5.104 -1.054 9.269 1.00 0.00 O ATOM 0 H GLY A 95 2.870 -1.702 12.956 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.122 -0.864 11.763 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.654 -2.550 11.862 1.00 0.00 H new ATOM 1199 N ARG A 96 3.287 -2.367 9.444 1.00 0.00 N ATOM 1200 CA ARG A 96 3.120 -2.503 7.999 1.00 0.00 C ATOM 1201 C ARG A 96 3.030 -1.130 7.339 1.00 0.00 C ATOM 1202 O ARG A 96 3.904 -0.750 6.560 1.00 0.00 O ATOM 1203 CB ARG A 96 1.872 -3.327 7.675 1.00 0.00 C ATOM 1204 CG ARG A 96 1.669 -4.517 8.600 1.00 0.00 C ATOM 1205 CD ARG A 96 1.445 -5.803 7.821 1.00 0.00 C ATOM 1206 NE ARG A 96 1.152 -6.930 8.703 1.00 0.00 N ATOM 1207 CZ ARG A 96 2.051 -7.498 9.503 1.00 0.00 C ATOM 1208 NH1 ARG A 96 3.303 -7.058 9.523 1.00 0.00 N ATOM 1209 NH2 ARG A 96 1.698 -8.510 10.284 1.00 0.00 N ATOM 0 H ARG A 96 2.591 -2.865 10.000 1.00 0.00 H new ATOM 0 HA ARG A 96 3.992 -3.024 7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.996 -2.681 7.731 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.940 -3.684 6.647 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.540 -4.629 9.245 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.814 -4.331 9.250 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.620 -5.665 7.122 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.331 -6.027 7.228 1.00 0.00 H new ATOM 0 HE ARG A 96 0.203 -7.303 8.706 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.580 -6.281 8.923 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.988 -7.497 10.138 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.737 -8.853 10.271 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.387 -8.945 10.897 1.00 0.00 H new ATOM 1223 N VAL A 97 1.973 -0.386 7.668 1.00 0.00 N ATOM 1224 CA VAL A 97 1.764 0.955 7.124 1.00 0.00 C ATOM 1225 C VAL A 97 3.066 1.728 7.051 1.00 0.00 C ATOM 1226 O VAL A 97 3.306 2.461 6.105 1.00 0.00 O ATOM 1227 CB VAL A 97 0.779 1.764 7.981 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.427 3.079 7.304 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.461 0.948 8.259 1.00 0.00 C ATOM 0 H VAL A 97 1.245 -0.693 8.313 1.00 0.00 H new ATOM 0 HA VAL A 97 1.355 0.819 6.123 1.00 0.00 H new ATOM 0 HB VAL A 97 1.257 1.999 8.932 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.272 3.635 7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.333 3.668 7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.033 2.878 6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.152 1.532 8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.941 0.684 7.317 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.186 0.039 8.794 1.00 0.00 H new ATOM 1239 N LYS A 98 3.904 1.563 8.058 1.00 0.00 N ATOM 1240 CA LYS A 98 5.176 2.255 8.089 1.00 0.00 C ATOM 1241 C LYS A 98 6.033 1.853 6.898 1.00 0.00 C ATOM 1242 O LYS A 98 6.156 2.596 5.927 1.00 0.00 O ATOM 1243 CB LYS A 98 5.910 1.965 9.394 1.00 0.00 C ATOM 1244 CG LYS A 98 6.072 3.197 10.258 1.00 0.00 C ATOM 1245 CD LYS A 98 5.623 2.948 11.685 1.00 0.00 C ATOM 1246 CE LYS A 98 4.148 2.598 11.757 1.00 0.00 C ATOM 1247 NZ LYS A 98 3.857 1.706 12.912 1.00 0.00 N ATOM 0 H LYS A 98 3.727 0.959 8.861 1.00 0.00 H new ATOM 0 HA LYS A 98 4.985 3.326 8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.364 1.204 9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.893 1.552 9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.117 3.508 10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.494 4.017 9.833 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.211 2.137 12.115 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.816 3.836 12.287 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.560 3.511 11.844 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.843 2.109 10.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.832 1.689 13.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.188 0.743 12.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.347 2.061 13.757 1.00 0.00 H new ATOM 1261 N ALA A 99 6.626 0.668 6.992 1.00 0.00 N ATOM 1262 CA ALA A 99 7.484 0.149 5.937 1.00 0.00 C ATOM 1263 C ALA A 99 6.777 0.125 4.586 1.00 0.00 C ATOM 1264 O ALA A 99 7.397 0.373 3.557 1.00 0.00 O ATOM 1265 CB ALA A 99 7.973 -1.245 6.300 1.00 0.00 C ATOM 0 H ALA A 99 6.526 0.046 7.794 1.00 0.00 H new ATOM 0 HA ALA A 99 8.338 0.821 5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.614 -1.624 5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.538 -1.201 7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.118 -1.909 6.425 1.00 0.00 H new ATOM 1271 N LEU A 100 5.481 -0.168 4.588 1.00 0.00 N ATOM 1272 CA LEU A 100 4.717 -0.223 3.359 1.00 0.00 C ATOM 1273 C LEU A 100 4.531 1.163 2.778 1.00 0.00 C ATOM 1274 O LEU A 100 4.814 1.406 1.605 1.00 0.00 O ATOM 1275 CB LEU A 100 3.352 -0.856 3.624 1.00 0.00 C ATOM 1276 CG LEU A 100 2.317 -0.606 2.533 1.00 0.00 C ATOM 1277 CD1 LEU A 100 1.436 -1.827 2.343 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.475 0.623 2.856 1.00 0.00 C ATOM 0 H LEU A 100 4.942 -0.370 5.430 1.00 0.00 H new ATOM 0 HA LEU A 100 5.267 -0.830 2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.482 -1.932 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.965 -0.473 4.569 1.00 0.00 H new ATOM 0 HG LEU A 100 2.846 -0.417 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.704 -1.629 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.052 -2.679 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.918 -2.051 3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.744 0.781 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.957 0.470 3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.122 1.497 2.933 1.00 0.00 H new ATOM 1290 N ALA A 101 4.033 2.062 3.606 1.00 0.00 N ATOM 1291 CA ALA A 101 3.781 3.425 3.174 1.00 0.00 C ATOM 1292 C ALA A 101 5.043 4.072 2.618 1.00 0.00 C ATOM 1293 O ALA A 101 4.965 4.863 1.680 1.00 0.00 O ATOM 1294 CB ALA A 101 3.168 4.241 4.297 1.00 0.00 C ATOM 0 H ALA A 101 3.795 1.874 4.580 1.00 0.00 H new ATOM 0 HA ALA A 101 3.057 3.396 2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.988 5.259 3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.224 3.789 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.851 4.262 5.146 1.00 0.00 H new ATOM 1300 N GLU A 102 6.217 3.705 3.146 1.00 0.00 N ATOM 1301 CA GLU A 102 7.453 4.254 2.596 1.00 0.00 C ATOM 1302 C GLU A 102 7.640 3.658 1.219 1.00 0.00 C ATOM 1303 O GLU A 102 7.917 4.366 0.269 1.00 0.00 O ATOM 1304 CB GLU A 102 8.704 3.998 3.453 1.00 0.00 C ATOM 1305 CG GLU A 102 8.469 3.199 4.727 1.00 0.00 C ATOM 1306 CD GLU A 102 9.763 2.709 5.348 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.767 2.593 4.614 1.00 0.00 O ATOM 1308 OE2 GLU A 102 9.772 2.442 6.568 1.00 0.00 O ATOM 0 H GLU A 102 6.333 3.055 3.924 1.00 0.00 H new ATOM 0 HA GLU A 102 7.348 5.339 2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.439 3.472 2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.142 4.959 3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.935 3.818 5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.829 2.345 4.504 1.00 0.00 H new ATOM 1315 N GLY A 103 7.423 2.349 1.109 1.00 0.00 N ATOM 1316 CA GLY A 103 7.515 1.693 -0.183 1.00 0.00 C ATOM 1317 C GLY A 103 6.726 2.457 -1.213 1.00 0.00 C ATOM 1318 O GLY A 103 7.236 2.877 -2.249 1.00 0.00 O ATOM 0 H GLY A 103 7.186 1.734 1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.558 1.625 -0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.138 0.673 -0.109 1.00 0.00 H new ATOM 1322 N ALA A 104 5.445 2.613 -0.891 1.00 0.00 N ATOM 1323 CA ALA A 104 4.498 3.308 -1.739 1.00 0.00 C ATOM 1324 C ALA A 104 4.905 4.761 -1.931 1.00 0.00 C ATOM 1325 O ALA A 104 4.692 5.345 -2.990 1.00 0.00 O ATOM 1326 CB ALA A 104 3.105 3.220 -1.140 1.00 0.00 C ATOM 0 H ALA A 104 5.038 2.256 -0.027 1.00 0.00 H new ATOM 0 HA ALA A 104 4.493 2.829 -2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.399 3.745 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.811 2.174 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.105 3.678 -0.151 1.00 0.00 H new ATOM 1332 N ARG A 105 5.505 5.345 -0.899 1.00 0.00 N ATOM 1333 CA ARG A 105 5.949 6.734 -0.959 1.00 0.00 C ATOM 1334 C ARG A 105 7.374 6.829 -1.501 1.00 0.00 C ATOM 1335 O ARG A 105 7.776 7.858 -2.045 1.00 0.00 O ATOM 1336 CB ARG A 105 5.847 7.381 0.429 1.00 0.00 C ATOM 1337 CG ARG A 105 6.535 8.732 0.552 1.00 0.00 C ATOM 1338 CD ARG A 105 5.629 9.859 0.084 1.00 0.00 C ATOM 1339 NE ARG A 105 4.911 10.478 1.196 1.00 0.00 N ATOM 1340 CZ ARG A 105 5.464 11.340 2.047 1.00 0.00 C ATOM 1341 NH1 ARG A 105 6.737 11.690 1.915 1.00 0.00 N ATOM 1342 NH2 ARG A 105 4.741 11.853 3.033 1.00 0.00 N ATOM 0 H ARG A 105 5.695 4.879 -0.012 1.00 0.00 H new ATOM 0 HA ARG A 105 5.297 7.277 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 105 4.794 7.500 0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.277 6.701 1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.824 8.902 1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.451 8.731 -0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.224 10.614 -0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.912 9.472 -0.640 1.00 0.00 H new ATOM 0 HE ARG A 105 3.929 10.236 1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.298 11.298 1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.155 12.351 2.570 1.00 0.00 H new ATOM 0 HH21 ARG A 105 3.762 11.587 3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 105 5.164 12.513 3.685 1.00 0.00 H new ATOM 1356 N GLU A 106 8.127 5.749 -1.356 1.00 0.00 N ATOM 1357 CA GLU A 106 9.495 5.695 -1.831 1.00 0.00 C ATOM 1358 C GLU A 106 9.489 5.337 -3.315 1.00 0.00 C ATOM 1359 O GLU A 106 10.319 5.811 -4.091 1.00 0.00 O ATOM 1360 CB GLU A 106 10.288 4.653 -1.019 1.00 0.00 C ATOM 1361 CG GLU A 106 10.290 3.256 -1.623 1.00 0.00 C ATOM 1362 CD GLU A 106 11.243 2.315 -0.914 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.925 2.761 0.033 1.00 0.00 O ATOM 1364 OE2 GLU A 106 11.309 1.131 -1.306 1.00 0.00 O ATOM 0 H GLU A 106 7.806 4.891 -0.908 1.00 0.00 H new ATOM 0 HA GLU A 106 9.976 6.664 -1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.318 4.995 -0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.872 4.600 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.281 2.845 -1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.565 3.320 -2.676 1.00 0.00 H new ATOM 1371 N GLY A 107 8.528 4.492 -3.692 1.00 0.00 N ATOM 1372 CA GLY A 107 8.396 4.071 -5.072 1.00 0.00 C ATOM 1373 C GLY A 107 7.932 5.208 -5.971 1.00 0.00 C ATOM 1374 O GLY A 107 8.494 5.415 -7.047 1.00 0.00 O ATOM 0 H GLY A 107 7.836 4.092 -3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.354 3.694 -5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.686 3.247 -5.134 1.00 0.00 H new ATOM 1378 N GLY A 108 6.918 5.964 -5.530 1.00 0.00 N ATOM 1379 CA GLY A 108 6.436 7.081 -6.330 1.00 0.00 C ATOM 1380 C GLY A 108 5.219 7.793 -5.751 1.00 0.00 C ATOM 1381 O GLY A 108 5.033 8.988 -5.981 1.00 0.00 O ATOM 0 H GLY A 108 6.430 5.823 -4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.243 7.804 -6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.188 6.717 -7.327 1.00 0.00 H new ATOM 1385 N LEU A 109 4.372 7.063 -5.034 1.00 0.00 N ATOM 1386 CA LEU A 109 3.157 7.633 -4.467 1.00 0.00 C ATOM 1387 C LEU A 109 3.430 8.578 -3.308 1.00 0.00 C ATOM 1388 O LEU A 109 4.312 8.349 -2.489 1.00 0.00 O ATOM 1389 CB LEU A 109 2.229 6.515 -4.001 1.00 0.00 C ATOM 1390 CG LEU A 109 1.575 5.742 -5.131 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.627 5.175 -6.064 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.674 4.643 -4.588 1.00 0.00 C ATOM 0 H LEU A 109 4.506 6.072 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 109 2.685 8.218 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.797 5.821 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.450 6.943 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 109 0.951 6.430 -5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.141 4.624 -6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.216 5.989 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.282 4.504 -5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.217 4.104 -5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.265 3.952 -3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.107 5.085 -3.969 1.00 0.00 H new ATOM 1404 N GLU A 110 2.639 9.636 -3.247 1.00 0.00 N ATOM 1405 CA GLU A 110 2.750 10.624 -2.184 1.00 0.00 C ATOM 1406 C GLU A 110 1.393 10.844 -1.532 1.00 0.00 C ATOM 1407 O GLU A 110 0.539 11.552 -2.065 1.00 0.00 O ATOM 1408 CB GLU A 110 3.317 11.934 -2.721 1.00 0.00 C ATOM 1409 CG GLU A 110 4.834 11.999 -2.640 1.00 0.00 C ATOM 1410 CD GLU A 110 5.497 11.910 -4.000 1.00 0.00 C ATOM 1411 OE1 GLU A 110 4.882 11.338 -4.925 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.632 12.413 -4.141 1.00 0.00 O ATOM 0 H GLU A 110 1.906 9.835 -3.928 1.00 0.00 H new ATOM 0 HA GLU A 110 3.440 10.249 -1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.008 12.060 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.892 12.766 -2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.128 12.931 -2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.195 11.186 -2.010 1.00 0.00 H new ATOM 1419 N PHE A 111 1.195 10.207 -0.388 1.00 0.00 N ATOM 1420 CA PHE A 111 -0.066 10.299 0.334 1.00 0.00 C ATOM 1421 C PHE A 111 0.166 10.641 1.803 1.00 0.00 C ATOM 1422 O PHE A 111 1.305 10.455 2.280 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.811 8.969 0.213 1.00 0.00 C ATOM 1424 CG PHE A 111 0.097 7.778 0.334 1.00 0.00 C ATOM 1425 CD1 PHE A 111 0.924 7.415 -0.718 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.143 7.040 1.504 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.781 6.340 -0.602 1.00 0.00 C ATOM 1428 CE2 PHE A 111 0.995 5.959 1.624 1.00 0.00 C ATOM 1429 CZ PHE A 111 1.817 5.611 0.571 1.00 0.00 C ATOM 1430 OXT PHE A 111 -0.793 11.094 2.462 1.00 0.00 O ATOM 0 H PHE A 111 1.895 9.618 0.063 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.665 11.098 -0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.577 8.916 0.986 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.325 8.932 -0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.897 7.980 -1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.494 7.312 2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.423 6.069 -1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.018 5.387 2.540 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.488 4.770 0.664 1.00 0.00 H new TER 1440 PHE A 111