USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 673 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 74 THR OG1 : rot 180:sc= -0.114 USER MOD Set 1.2: A 77 MET CE :methyl -107:sc= -3.75! (180deg=-4.17) USER MOD Set 2.1: A 54 HIS : no HD1:sc= -7.76! C(o=-12!,f=-11!) USER MOD Set 2.2: A 64 GLN : amide:sc= -4.65! C(o=-12!,f=-13!) USER MOD Set 3.1: A 42 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.214 USER MOD Single : A 25 GLN : amide:sc= -5.3! C(o=-5.3!,f=-11!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -23:sc= -0.784 USER MOD Single : A 34 LYS NZ :NH3+ 179:sc= -1.13 (180deg=-1.15) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -142:sc= -0.987! USER MOD Single : A 48 HIS : no HD1:sc= -2.37 K(o=-2.4,f=-1.2) USER MOD Single : A 49 MET CE :methyl 152:sc= -9.35! (180deg=-11.4!) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= -1.44 (180deg=-1.68) USER MOD Single : A 63 SER OG : rot 180:sc= -0.996 USER MOD Single : A 69 SER OG : rot -35:sc= 0.869 USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 0.314 (180deg=0.0923) USER MOD Single : A 78 LYS NZ :NH3+ -143:sc= -5.33! (180deg=-9.98!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= -0.0626 (180deg=-0.3) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.1!) USER MOD Single : A 95 SER OG : rot -56:sc= 0.781 USER MOD Single : A 96 GLN : amide:sc= -0.272 K(o=-0.27,f=-1.1) USER MOD Single : A 99 GLN : amide:sc= -0.415 K(o=-0.41,f=-11!) USER MOD Single : A 100 ASN : amide:sc= -3.55 K(o=-3.5,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 21 -18.142 -6.036 -0.014 1.00 0.00 N ATOM 2 CA GLY A 21 -18.572 -5.208 -1.175 1.00 0.00 C ATOM 3 C GLY A 21 -17.859 -3.871 -1.229 1.00 0.00 C ATOM 4 O GLY A 21 -17.310 -3.494 -2.265 1.00 0.00 O ATOM 0 HA2 GLY A 21 -18.382 -5.755 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -19.648 -5.041 -1.120 1.00 0.00 H new ATOM 8 N TYR A 22 -17.865 -3.153 -0.111 1.00 0.00 N ATOM 9 CA TYR A 22 -17.214 -1.851 -0.034 1.00 0.00 C ATOM 10 C TYR A 22 -16.084 -1.864 0.991 1.00 0.00 C ATOM 11 O TYR A 22 -15.788 -0.845 1.617 1.00 0.00 O ATOM 12 CB TYR A 22 -18.233 -0.767 0.323 1.00 0.00 C ATOM 13 CG TYR A 22 -19.309 -0.581 -0.723 1.00 0.00 C ATOM 14 CD1 TYR A 22 -20.457 -1.363 -0.711 1.00 0.00 C ATOM 15 CD2 TYR A 22 -19.177 0.375 -1.721 1.00 0.00 C ATOM 16 CE1 TYR A 22 -21.443 -1.197 -1.665 1.00 0.00 C ATOM 17 CE2 TYR A 22 -20.158 0.548 -2.679 1.00 0.00 C ATOM 18 CZ TYR A 22 -21.290 -0.241 -2.646 1.00 0.00 C ATOM 19 OH TYR A 22 -22.270 -0.072 -3.598 1.00 0.00 O ATOM 0 H TYR A 22 -18.314 -3.451 0.755 1.00 0.00 H new ATOM 0 HA TYR A 22 -16.787 -1.629 -1.012 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -18.702 -1.020 1.274 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -17.710 0.179 0.467 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -20.581 -2.113 0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -18.293 0.994 -1.749 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -22.329 -1.814 -1.642 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -20.040 1.296 -3.449 1.00 0.00 H new ATOM 0 HH TYR A 22 -22.007 0.643 -4.215 1.00 0.00 H new ATOM 29 N GLU A 23 -15.457 -3.024 1.158 1.00 0.00 N ATOM 30 CA GLU A 23 -14.358 -3.171 2.104 1.00 0.00 C ATOM 31 C GLU A 23 -13.150 -3.808 1.427 1.00 0.00 C ATOM 32 O GLU A 23 -13.293 -4.729 0.623 1.00 0.00 O ATOM 33 CB GLU A 23 -14.795 -4.018 3.300 1.00 0.00 C ATOM 34 CG GLU A 23 -13.705 -4.210 4.342 1.00 0.00 C ATOM 35 CD GLU A 23 -14.162 -5.054 5.516 1.00 0.00 C ATOM 36 OE1 GLU A 23 -14.682 -4.477 6.494 1.00 0.00 O ATOM 37 OE2 GLU A 23 -13.999 -6.290 5.457 1.00 0.00 O ATOM 0 H GLU A 23 -15.692 -3.876 0.650 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.076 -2.179 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -15.658 -3.547 3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -15.120 -4.995 2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.840 -4.682 3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.379 -3.235 4.705 1.00 0.00 H new ATOM 44 N CYS A 24 -11.959 -3.312 1.752 1.00 0.00 N ATOM 45 CA CYS A 24 -10.734 -3.838 1.165 1.00 0.00 C ATOM 46 C CYS A 24 -9.632 -3.973 2.213 1.00 0.00 C ATOM 47 O CYS A 24 -9.691 -3.362 3.280 1.00 0.00 O ATOM 48 CB CYS A 24 -10.264 -2.932 0.025 1.00 0.00 C ATOM 49 SG CYS A 24 -11.513 -2.645 -1.251 1.00 0.00 S ATOM 0 H CYS A 24 -11.818 -2.550 2.416 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.950 -4.831 0.770 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -9.957 -1.972 0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.382 -3.376 -0.438 1.00 0.00 H new ATOM 0 HG CYS A 24 -11.024 -1.867 -2.170 1.00 0.00 H new ATOM 55 N GLN A 25 -8.627 -4.783 1.895 1.00 0.00 N ATOM 56 CA GLN A 25 -7.501 -5.015 2.791 1.00 0.00 C ATOM 57 C GLN A 25 -6.336 -5.615 2.014 1.00 0.00 C ATOM 58 O GLN A 25 -6.481 -6.647 1.365 1.00 0.00 O ATOM 59 CB GLN A 25 -7.916 -5.946 3.934 1.00 0.00 C ATOM 60 CG GLN A 25 -6.796 -6.251 4.918 1.00 0.00 C ATOM 61 CD GLN A 25 -5.840 -7.313 4.409 1.00 0.00 C ATOM 62 OE1 GLN A 25 -4.835 -7.006 3.768 1.00 0.00 O ATOM 63 NE2 GLN A 25 -6.150 -8.573 4.694 1.00 0.00 N ATOM 0 H GLN A 25 -8.571 -5.294 1.014 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.186 -4.063 3.219 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.748 -5.494 4.474 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.281 -6.883 3.512 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.240 -5.336 5.123 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.228 -6.580 5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.993 -8.782 5.228 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.545 -9.331 4.379 1.00 0.00 H new ATOM 72 N LEU A 26 -5.180 -4.966 2.084 1.00 0.00 N ATOM 73 CA LEU A 26 -4.001 -5.438 1.362 1.00 0.00 C ATOM 74 C LEU A 26 -2.777 -5.487 2.273 1.00 0.00 C ATOM 75 O LEU A 26 -2.619 -4.646 3.161 1.00 0.00 O ATOM 76 CB LEU A 26 -3.747 -4.526 0.158 1.00 0.00 C ATOM 77 CG LEU A 26 -2.768 -5.047 -0.899 1.00 0.00 C ATOM 78 CD1 LEU A 26 -3.039 -6.507 -1.227 1.00 0.00 C ATOM 79 CD2 LEU A 26 -2.869 -4.201 -2.158 1.00 0.00 C ATOM 0 H LEU A 26 -5.032 -4.117 2.629 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.185 -6.454 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.702 -4.330 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.375 -3.570 0.526 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.758 -4.974 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.329 -6.849 -1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.929 -7.109 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.054 -6.611 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.170 -4.577 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.884 -4.254 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.625 -3.165 -1.921 1.00 0.00 H new ATOM 91 N ARG A 27 -1.913 -6.478 2.049 1.00 0.00 N ATOM 92 CA ARG A 27 -0.712 -6.639 2.857 1.00 0.00 C ATOM 93 C ARG A 27 0.436 -5.823 2.272 1.00 0.00 C ATOM 94 O ARG A 27 0.633 -5.800 1.059 1.00 0.00 O ATOM 95 CB ARG A 27 -0.330 -8.119 2.934 1.00 0.00 C ATOM 96 CG ARG A 27 0.806 -8.422 3.899 1.00 0.00 C ATOM 97 CD ARG A 27 1.104 -9.912 3.945 1.00 0.00 C ATOM 98 NE ARG A 27 2.424 -10.193 4.506 1.00 0.00 N ATOM 99 CZ ARG A 27 2.749 -11.340 5.102 1.00 0.00 C ATOM 100 NH1 ARG A 27 1.858 -12.317 5.213 1.00 0.00 N ATOM 101 NH2 ARG A 27 3.972 -11.510 5.584 1.00 0.00 N ATOM 0 H ARG A 27 -2.025 -7.178 1.316 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.914 -6.274 3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.207 -8.694 3.232 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.047 -8.462 1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.700 -7.879 3.594 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.543 -8.070 4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.343 -10.415 4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.044 -10.324 2.938 1.00 0.00 H new ATOM 0 HE ARG A 27 3.139 -9.469 4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.916 -12.193 4.841 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.115 -13.192 5.671 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.662 -10.764 5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.223 -12.387 6.041 1.00 0.00 H new ATOM 115 N LEU A 28 1.191 -5.150 3.132 1.00 0.00 N ATOM 116 CA LEU A 28 2.306 -4.328 2.673 1.00 0.00 C ATOM 117 C LEU A 28 3.647 -4.839 3.168 1.00 0.00 C ATOM 118 O LEU A 28 3.906 -4.855 4.366 1.00 0.00 O ATOM 119 CB LEU A 28 2.141 -2.897 3.159 1.00 0.00 C ATOM 120 CG LEU A 28 1.019 -2.102 2.494 1.00 0.00 C ATOM 121 CD1 LEU A 28 1.107 -2.231 0.981 1.00 0.00 C ATOM 122 CD2 LEU A 28 -0.343 -2.558 2.997 1.00 0.00 C ATOM 0 H LEU A 28 1.054 -5.156 4.143 1.00 0.00 H new ATOM 0 HA LEU A 28 2.294 -4.375 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.962 -2.915 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.081 -2.368 3.001 1.00 0.00 H new ATOM 0 HG LEU A 28 1.138 -1.052 2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.302 -1.660 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.067 -1.846 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.015 -3.280 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.125 -1.976 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.480 -3.615 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.401 -2.410 4.075 1.00 0.00 H new ATOM 134 N ARG A 29 4.500 -5.238 2.236 1.00 0.00 N ATOM 135 CA ARG A 29 5.840 -5.704 2.574 1.00 0.00 C ATOM 136 C ARG A 29 6.814 -4.540 2.417 1.00 0.00 C ATOM 137 O ARG A 29 7.232 -4.221 1.306 1.00 0.00 O ATOM 138 CB ARG A 29 6.238 -6.872 1.670 1.00 0.00 C ATOM 139 CG ARG A 29 7.672 -7.331 1.861 1.00 0.00 C ATOM 140 CD ARG A 29 8.018 -8.480 0.928 1.00 0.00 C ATOM 141 NE ARG A 29 7.154 -9.638 1.143 1.00 0.00 N ATOM 142 CZ ARG A 29 7.318 -10.809 0.531 1.00 0.00 C ATOM 143 NH1 ARG A 29 8.315 -10.982 -0.327 1.00 0.00 N ATOM 144 NH2 ARG A 29 6.486 -11.810 0.782 1.00 0.00 N ATOM 0 H ARG A 29 4.289 -5.249 1.238 1.00 0.00 H new ATOM 0 HA ARG A 29 5.863 -6.059 3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.569 -7.711 1.860 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.095 -6.580 0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.349 -6.497 1.679 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.821 -7.643 2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.928 -8.147 -0.106 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.058 -8.770 1.080 1.00 0.00 H new ATOM 0 HE ARG A 29 6.380 -9.544 1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.960 -10.216 -0.520 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.436 -11.881 -0.793 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.720 -11.683 1.444 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.611 -12.707 0.313 1.00 0.00 H new ATOM 158 N LEU A 30 7.180 -3.909 3.531 1.00 0.00 N ATOM 159 CA LEU A 30 8.055 -2.738 3.481 1.00 0.00 C ATOM 160 C LEU A 30 9.499 -3.030 3.821 1.00 0.00 C ATOM 161 O LEU A 30 9.814 -4.017 4.483 1.00 0.00 O ATOM 162 CB LEU A 30 7.559 -1.644 4.423 1.00 0.00 C ATOM 163 CG LEU A 30 6.146 -1.815 4.989 1.00 0.00 C ATOM 164 CD1 LEU A 30 5.997 -1.003 6.260 1.00 0.00 C ATOM 165 CD2 LEU A 30 5.092 -1.406 3.976 1.00 0.00 C ATOM 0 H LEU A 30 6.889 -4.184 4.469 1.00 0.00 H new ATOM 0 HA LEU A 30 8.017 -2.410 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.255 -1.573 5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.601 -0.693 3.892 1.00 0.00 H new ATOM 0 HG LEU A 30 5.997 -2.870 5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.990 -1.130 6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.723 -1.345 6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.171 0.051 6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.100 -1.539 4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.233 -0.359 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.185 -2.026 3.084 1.00 0.00 H new ATOM 177 N SER A 31 10.364 -2.108 3.378 1.00 0.00 N ATOM 178 CA SER A 31 11.800 -2.198 3.600 1.00 0.00 C ATOM 179 C SER A 31 12.355 -3.457 2.965 1.00 0.00 C ATOM 180 O SER A 31 13.195 -3.401 2.070 1.00 0.00 O ATOM 181 CB SER A 31 12.111 -2.185 5.098 1.00 0.00 C ATOM 182 OG SER A 31 13.505 -2.268 5.330 1.00 0.00 O ATOM 0 H SER A 31 10.080 -1.280 2.855 1.00 0.00 H new ATOM 0 HA SER A 31 12.274 -1.333 3.136 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.718 -1.272 5.546 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.608 -3.021 5.584 1.00 0.00 H new ATOM 0 HG SER A 31 13.677 -2.256 6.295 1.00 0.00 H new ATOM 188 N THR A 32 11.838 -4.582 3.422 1.00 0.00 N ATOM 189 CA THR A 32 12.258 -5.895 2.942 1.00 0.00 C ATOM 190 C THR A 32 11.492 -7.005 3.660 1.00 0.00 C ATOM 191 O THR A 32 11.968 -8.137 3.744 1.00 0.00 O ATOM 192 CB THR A 32 13.773 -6.134 3.155 1.00 0.00 C ATOM 193 OG1 THR A 32 14.536 -5.032 2.653 1.00 0.00 O ATOM 194 CG2 THR A 32 14.227 -7.411 2.462 1.00 0.00 C ATOM 0 H THR A 32 11.113 -4.616 4.138 1.00 0.00 H new ATOM 0 HA THR A 32 12.042 -5.916 1.874 1.00 0.00 H new ATOM 0 HB THR A 32 13.940 -6.231 4.228 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.014 -4.555 1.974 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.295 -7.555 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.679 -8.261 2.869 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.033 -7.333 1.392 1.00 0.00 H new ATOM 202 N GLY A 33 10.303 -6.692 4.176 1.00 0.00 N ATOM 203 CA GLY A 33 9.538 -7.706 4.878 1.00 0.00 C ATOM 204 C GLY A 33 8.695 -7.152 6.009 1.00 0.00 C ATOM 205 O GLY A 33 8.340 -7.886 6.933 1.00 0.00 O ATOM 0 H GLY A 33 9.865 -5.773 4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.888 -8.216 4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.222 -8.454 5.278 1.00 0.00 H new ATOM 209 N LYS A 34 8.368 -5.865 5.953 1.00 0.00 N ATOM 210 CA LYS A 34 7.550 -5.258 6.988 1.00 0.00 C ATOM 211 C LYS A 34 6.082 -5.383 6.599 1.00 0.00 C ATOM 212 O LYS A 34 5.473 -4.439 6.112 1.00 0.00 O ATOM 213 CB LYS A 34 7.936 -3.788 7.186 1.00 0.00 C ATOM 214 CG LYS A 34 7.794 -3.288 8.621 1.00 0.00 C ATOM 215 CD LYS A 34 6.546 -3.808 9.298 1.00 0.00 C ATOM 216 CE LYS A 34 5.310 -3.117 8.780 1.00 0.00 C ATOM 217 NZ LYS A 34 5.280 -1.676 9.150 1.00 0.00 N ATOM 0 H LYS A 34 8.655 -5.230 5.208 1.00 0.00 H new ATOM 0 HA LYS A 34 7.717 -5.775 7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.969 -3.650 6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.316 -3.171 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.668 -3.593 9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.776 -2.198 8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.461 -4.882 9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.625 -3.657 10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.269 -3.214 7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.424 -3.612 9.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.423 -1.235 8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.276 -1.584 10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.120 -1.201 8.763 1.00 0.00 H new ATOM 231 N ASP A 35 5.528 -6.568 6.808 1.00 0.00 N ATOM 232 CA ASP A 35 4.156 -6.846 6.464 1.00 0.00 C ATOM 233 C ASP A 35 3.199 -6.189 7.430 1.00 0.00 C ATOM 234 O ASP A 35 3.261 -6.380 8.645 1.00 0.00 O ATOM 235 CB ASP A 35 3.910 -8.350 6.433 1.00 0.00 C ATOM 236 CG ASP A 35 4.153 -9.005 7.779 1.00 0.00 C ATOM 237 OD1 ASP A 35 3.196 -9.094 8.577 1.00 0.00 O ATOM 238 OD2 ASP A 35 5.299 -9.431 8.034 1.00 0.00 O ATOM 0 H ASP A 35 6.023 -7.358 7.221 1.00 0.00 H new ATOM 0 HA ASP A 35 3.975 -6.431 5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.884 -8.541 6.119 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.561 -8.806 5.687 1.00 0.00 H new ATOM 243 N LEU A 36 2.319 -5.414 6.853 1.00 0.00 N ATOM 244 CA LEU A 36 1.293 -4.701 7.586 1.00 0.00 C ATOM 245 C LEU A 36 0.076 -4.562 6.696 1.00 0.00 C ATOM 246 O LEU A 36 0.116 -3.872 5.676 1.00 0.00 O ATOM 247 CB LEU A 36 1.789 -3.324 8.029 1.00 0.00 C ATOM 248 CG LEU A 36 0.970 -2.669 9.144 1.00 0.00 C ATOM 249 CD1 LEU A 36 -0.451 -2.388 8.678 1.00 0.00 C ATOM 250 CD2 LEU A 36 0.959 -3.552 10.384 1.00 0.00 C ATOM 0 H LEU A 36 2.290 -5.255 5.846 1.00 0.00 H new ATOM 0 HA LEU A 36 1.037 -5.261 8.486 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.822 -3.417 8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.793 -2.661 7.164 1.00 0.00 H new ATOM 0 HG LEU A 36 1.439 -1.718 9.398 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.014 -1.923 9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.426 -1.716 7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.932 -3.324 8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.373 -3.072 11.167 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.516 -4.517 10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.980 -3.700 10.735 1.00 0.00 H new ATOM 262 N LYS A 37 -0.995 -5.238 7.065 1.00 0.00 N ATOM 263 CA LYS A 37 -2.210 -5.199 6.277 1.00 0.00 C ATOM 264 C LYS A 37 -3.075 -4.002 6.660 1.00 0.00 C ATOM 265 O LYS A 37 -3.584 -3.914 7.777 1.00 0.00 O ATOM 266 CB LYS A 37 -2.973 -6.515 6.434 1.00 0.00 C ATOM 267 CG LYS A 37 -3.836 -6.600 7.686 1.00 0.00 C ATOM 268 CD LYS A 37 -4.460 -7.977 7.836 1.00 0.00 C ATOM 269 CE LYS A 37 -5.299 -8.073 9.101 1.00 0.00 C ATOM 270 NZ LYS A 37 -5.907 -9.423 9.264 1.00 0.00 N ATOM 0 H LYS A 37 -1.048 -5.818 7.902 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.944 -5.079 5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.608 -6.658 5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.257 -7.336 6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.230 -6.376 8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.622 -5.846 7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.083 -8.192 6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.675 -8.733 7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.677 -7.848 9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.088 -7.321 9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.471 -9.447 10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.521 -9.628 8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.154 -10.139 9.318 1.00 0.00 H new ATOM 284 N LEU A 38 -3.225 -3.077 5.718 1.00 0.00 N ATOM 285 CA LEU A 38 -4.023 -1.878 5.939 1.00 0.00 C ATOM 286 C LEU A 38 -5.396 -2.020 5.287 1.00 0.00 C ATOM 287 O LEU A 38 -5.547 -2.705 4.272 1.00 0.00 O ATOM 288 CB LEU A 38 -3.289 -0.647 5.379 1.00 0.00 C ATOM 289 CG LEU A 38 -4.158 0.593 5.148 1.00 0.00 C ATOM 290 CD1 LEU A 38 -4.284 1.403 6.429 1.00 0.00 C ATOM 291 CD2 LEU A 38 -3.579 1.435 4.026 1.00 0.00 C ATOM 0 H LEU A 38 -2.803 -3.136 4.791 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.166 -1.746 7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.485 -0.382 6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.823 -0.923 4.433 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.158 0.272 4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.905 2.280 6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.743 0.789 7.204 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.294 1.721 6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.205 2.314 3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.570 1.750 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.546 0.846 3.109 1.00 0.00 H new ATOM 303 N VAL A 39 -6.393 -1.367 5.878 1.00 0.00 N ATOM 304 CA VAL A 39 -7.753 -1.405 5.355 1.00 0.00 C ATOM 305 C VAL A 39 -8.033 -0.176 4.495 1.00 0.00 C ATOM 306 O VAL A 39 -7.515 0.908 4.762 1.00 0.00 O ATOM 307 CB VAL A 39 -8.793 -1.479 6.489 1.00 0.00 C ATOM 308 CG1 VAL A 39 -8.624 -2.764 7.285 1.00 0.00 C ATOM 309 CG2 VAL A 39 -8.683 -0.263 7.399 1.00 0.00 C ATOM 0 H VAL A 39 -6.283 -0.804 6.721 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.838 -2.304 4.745 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.788 -1.481 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.367 -2.799 8.082 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.759 -3.621 6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.625 -2.794 7.719 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.426 -0.335 8.193 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.686 -0.226 7.837 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.858 0.643 6.819 1.00 0.00 H new ATOM 319 N VAL A 40 -8.857 -0.348 3.468 1.00 0.00 N ATOM 320 CA VAL A 40 -9.193 0.745 2.567 1.00 0.00 C ATOM 321 C VAL A 40 -10.508 0.478 1.847 1.00 0.00 C ATOM 322 O VAL A 40 -11.029 -0.637 1.881 1.00 0.00 O ATOM 323 CB VAL A 40 -8.089 0.960 1.522 1.00 0.00 C ATOM 324 CG1 VAL A 40 -6.813 1.462 2.181 1.00 0.00 C ATOM 325 CG2 VAL A 40 -7.829 -0.321 0.757 1.00 0.00 C ATOM 0 H VAL A 40 -9.305 -1.236 3.239 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.292 1.643 3.177 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.426 1.720 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.044 1.607 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.011 2.409 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.468 0.730 2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.044 -0.152 0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.514 -1.101 1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.742 -0.633 0.249 1.00 0.00 H new ATOM 335 N ARG A 41 -11.027 1.498 1.175 1.00 0.00 N ATOM 336 CA ARG A 41 -12.285 1.375 0.458 1.00 0.00 C ATOM 337 C ARG A 41 -12.215 1.997 -0.939 1.00 0.00 C ATOM 338 O ARG A 41 -12.338 3.208 -1.083 1.00 0.00 O ATOM 339 CB ARG A 41 -13.393 2.040 1.273 1.00 0.00 C ATOM 340 CG ARG A 41 -14.744 2.088 0.577 1.00 0.00 C ATOM 341 CD ARG A 41 -15.542 3.300 1.024 1.00 0.00 C ATOM 342 NE ARG A 41 -16.981 3.094 0.878 1.00 0.00 N ATOM 343 CZ ARG A 41 -17.901 3.973 1.270 1.00 0.00 C ATOM 344 NH1 ARG A 41 -17.534 5.119 1.832 1.00 0.00 N ATOM 345 NH2 ARG A 41 -19.188 3.707 1.099 1.00 0.00 N ATOM 0 H ARG A 41 -10.594 2.419 1.113 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.498 0.314 0.327 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.503 1.506 2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.087 3.058 1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.600 2.121 -0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.303 1.178 0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.312 3.521 2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.239 4.169 0.439 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.300 2.225 0.450 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.545 5.328 1.965 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.242 5.790 2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -19.474 2.828 0.667 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -19.892 4.381 1.400 1.00 0.00 H new ATOM 359 N SER A 42 -12.009 1.142 -1.946 1.00 0.00 N ATOM 360 CA SER A 42 -11.942 1.524 -3.370 1.00 0.00 C ATOM 361 C SER A 42 -11.282 2.882 -3.649 1.00 0.00 C ATOM 362 O SER A 42 -10.438 2.981 -4.536 1.00 0.00 O ATOM 363 CB SER A 42 -13.350 1.519 -3.967 1.00 0.00 C ATOM 364 OG SER A 42 -14.203 2.412 -3.271 1.00 0.00 O ATOM 0 H SER A 42 -11.881 0.141 -1.796 1.00 0.00 H new ATOM 0 HA SER A 42 -11.300 0.779 -3.840 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.303 1.801 -5.019 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.762 0.511 -3.926 1.00 0.00 H new ATOM 0 HG SER A 42 -15.096 2.391 -3.673 1.00 0.00 H new ATOM 370 N THR A 43 -11.664 3.923 -2.922 1.00 0.00 N ATOM 371 CA THR A 43 -11.075 5.240 -3.116 1.00 0.00 C ATOM 372 C THR A 43 -9.744 5.357 -2.378 1.00 0.00 C ATOM 373 O THR A 43 -8.957 6.267 -2.635 1.00 0.00 O ATOM 374 CB THR A 43 -12.022 6.356 -2.634 1.00 0.00 C ATOM 375 OG1 THR A 43 -13.298 6.225 -3.273 1.00 0.00 O ATOM 376 CG2 THR A 43 -11.443 7.731 -2.931 1.00 0.00 C ATOM 0 H THR A 43 -12.377 3.881 -2.194 1.00 0.00 H new ATOM 0 HA THR A 43 -10.906 5.360 -4.186 1.00 0.00 H new ATOM 0 HB THR A 43 -12.140 6.256 -1.555 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.895 6.937 -2.960 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.132 8.499 -2.580 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.486 7.841 -2.420 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.295 7.839 -4.006 1.00 0.00 H new ATOM 384 N ASP A 44 -9.500 4.427 -1.459 1.00 0.00 N ATOM 385 CA ASP A 44 -8.268 4.424 -0.683 1.00 0.00 C ATOM 386 C ASP A 44 -7.230 3.469 -1.286 1.00 0.00 C ATOM 387 O ASP A 44 -6.559 2.728 -0.568 1.00 0.00 O ATOM 388 CB ASP A 44 -8.574 4.045 0.765 1.00 0.00 C ATOM 389 CG ASP A 44 -8.938 5.247 1.613 1.00 0.00 C ATOM 390 OD1 ASP A 44 -10.134 5.608 1.650 1.00 0.00 O ATOM 391 OD2 ASP A 44 -8.028 5.829 2.240 1.00 0.00 O ATOM 0 H ASP A 44 -10.141 3.666 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.841 5.427 -0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.395 3.328 0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.706 3.547 1.198 1.00 0.00 H new ATOM 396 N THR A 45 -7.112 3.498 -2.615 1.00 0.00 N ATOM 397 CA THR A 45 -6.158 2.655 -3.342 1.00 0.00 C ATOM 398 C THR A 45 -4.728 2.911 -2.879 1.00 0.00 C ATOM 399 O THR A 45 -4.485 3.808 -2.084 1.00 0.00 O ATOM 400 CB THR A 45 -6.233 2.933 -4.852 1.00 0.00 C ATOM 401 OG1 THR A 45 -5.835 4.284 -5.114 1.00 0.00 O ATOM 402 CG2 THR A 45 -7.643 2.709 -5.372 1.00 0.00 C ATOM 0 H THR A 45 -7.672 4.103 -3.216 1.00 0.00 H new ATOM 0 HA THR A 45 -6.425 1.618 -3.137 1.00 0.00 H new ATOM 0 HB THR A 45 -5.560 2.245 -5.364 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.392 4.656 -5.829 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.672 2.912 -6.443 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.938 1.676 -5.190 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.331 3.379 -4.857 1.00 0.00 H new ATOM 410 N VAL A 46 -3.795 2.121 -3.409 1.00 0.00 N ATOM 411 CA VAL A 46 -2.366 2.215 -3.077 1.00 0.00 C ATOM 412 C VAL A 46 -1.932 3.624 -2.644 1.00 0.00 C ATOM 413 O VAL A 46 -1.062 3.766 -1.788 1.00 0.00 O ATOM 414 CB VAL A 46 -1.496 1.729 -4.266 1.00 0.00 C ATOM 415 CG1 VAL A 46 -0.174 2.476 -4.343 1.00 0.00 C ATOM 416 CG2 VAL A 46 -1.249 0.225 -4.163 1.00 0.00 C ATOM 0 H VAL A 46 -4.007 1.390 -4.088 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.210 1.562 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.047 1.940 -5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.405 2.105 -5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.365 3.541 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.387 2.318 -3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.637 -0.102 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.731 0.004 -3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.203 -0.302 -4.182 1.00 0.00 H new ATOM 426 N PHE A 47 -2.526 4.656 -3.232 1.00 0.00 N ATOM 427 CA PHE A 47 -2.183 6.030 -2.869 1.00 0.00 C ATOM 428 C PHE A 47 -2.558 6.271 -1.422 1.00 0.00 C ATOM 429 O PHE A 47 -1.693 6.471 -0.570 1.00 0.00 O ATOM 430 CB PHE A 47 -2.904 7.024 -3.779 1.00 0.00 C ATOM 431 CG PHE A 47 -2.492 8.451 -3.562 1.00 0.00 C ATOM 432 CD1 PHE A 47 -1.378 8.968 -4.203 1.00 0.00 C ATOM 433 CD2 PHE A 47 -3.221 9.276 -2.719 1.00 0.00 C ATOM 434 CE1 PHE A 47 -0.996 10.282 -4.006 1.00 0.00 C ATOM 435 CE2 PHE A 47 -2.844 10.591 -2.520 1.00 0.00 C ATOM 436 CZ PHE A 47 -1.730 11.094 -3.165 1.00 0.00 C ATOM 0 H PHE A 47 -3.240 4.572 -3.955 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.110 6.177 -2.995 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.715 6.755 -4.818 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.978 6.937 -3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.802 8.338 -4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.092 8.887 -2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.124 10.673 -4.510 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.419 11.225 -1.861 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.434 12.121 -3.011 1.00 0.00 H new ATOM 446 N HIS A 48 -3.856 6.254 -1.145 1.00 0.00 N ATOM 447 CA HIS A 48 -4.322 6.420 0.216 1.00 0.00 C ATOM 448 C HIS A 48 -3.787 5.265 1.041 1.00 0.00 C ATOM 449 O HIS A 48 -3.381 5.431 2.190 1.00 0.00 O ATOM 450 CB HIS A 48 -5.838 6.431 0.271 1.00 0.00 C ATOM 451 CG HIS A 48 -6.465 7.495 -0.575 1.00 0.00 C ATOM 452 ND1 HIS A 48 -7.082 8.611 -0.048 1.00 0.00 N ATOM 453 CD2 HIS A 48 -6.572 7.610 -1.920 1.00 0.00 C ATOM 454 CE1 HIS A 48 -7.541 9.365 -1.031 1.00 0.00 C ATOM 455 NE2 HIS A 48 -7.245 8.780 -2.177 1.00 0.00 N ATOM 0 H HIS A 48 -4.593 6.128 -1.839 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.966 7.372 0.610 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.211 5.458 -0.049 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.154 6.569 1.305 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.198 6.912 -2.654 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.068 10.300 -0.917 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -7.478 9.138 -3.103 1.00 0.00 H new ATOM 464 N MET A 49 -3.806 4.081 0.435 1.00 0.00 N ATOM 465 CA MET A 49 -3.272 2.893 1.068 1.00 0.00 C ATOM 466 C MET A 49 -1.892 3.231 1.604 1.00 0.00 C ATOM 467 O MET A 49 -1.532 2.897 2.732 1.00 0.00 O ATOM 468 CB MET A 49 -3.167 1.746 0.061 1.00 0.00 C ATOM 469 CG MET A 49 -3.362 0.372 0.679 1.00 0.00 C ATOM 470 SD MET A 49 -3.028 -0.965 -0.481 1.00 0.00 S ATOM 471 CE MET A 49 -1.316 -0.634 -0.882 1.00 0.00 C ATOM 0 H MET A 49 -4.189 3.925 -0.498 1.00 0.00 H new ATOM 0 HA MET A 49 -3.933 2.575 1.874 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.912 1.892 -0.722 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.189 1.784 -0.419 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.706 0.270 1.543 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.385 0.284 1.044 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.819 -1.565 -1.154 1.00 0.00 H new ATOM 0 HE2 MET A 49 -1.266 0.062 -1.719 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.818 -0.197 -0.017 1.00 0.00 H new ATOM 481 N LYS A 50 -1.143 3.934 0.765 1.00 0.00 N ATOM 482 CA LYS A 50 0.193 4.380 1.096 1.00 0.00 C ATOM 483 C LYS A 50 0.103 5.538 2.081 1.00 0.00 C ATOM 484 O LYS A 50 0.963 5.702 2.947 1.00 0.00 O ATOM 485 CB LYS A 50 0.933 4.803 -0.173 1.00 0.00 C ATOM 486 CG LYS A 50 2.394 5.148 0.048 1.00 0.00 C ATOM 487 CD LYS A 50 3.128 4.062 0.825 1.00 0.00 C ATOM 488 CE LYS A 50 2.964 2.690 0.190 1.00 0.00 C ATOM 489 NZ LYS A 50 3.809 2.536 -1.026 1.00 0.00 N ATOM 0 H LYS A 50 -1.452 4.209 -0.167 1.00 0.00 H new ATOM 0 HA LYS A 50 0.751 3.565 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.868 3.998 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.428 5.667 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.881 5.296 -0.916 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.465 6.092 0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.188 4.311 0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.754 4.034 1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.228 1.920 0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.918 2.534 -0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.581 1.636 -1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.624 3.324 -1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.813 2.540 -0.754 1.00 0.00 H new ATOM 503 N ARG A 51 -0.950 6.349 1.937 1.00 0.00 N ATOM 504 CA ARG A 51 -1.166 7.465 2.846 1.00 0.00 C ATOM 505 C ARG A 51 -1.183 6.935 4.273 1.00 0.00 C ATOM 506 O ARG A 51 -0.520 7.455 5.176 1.00 0.00 O ATOM 507 CB ARG A 51 -2.478 8.191 2.537 1.00 0.00 C ATOM 508 CG ARG A 51 -2.392 9.114 1.333 1.00 0.00 C ATOM 509 CD ARG A 51 -1.381 10.225 1.559 1.00 0.00 C ATOM 510 NE ARG A 51 -1.421 11.229 0.500 1.00 0.00 N ATOM 511 CZ ARG A 51 -0.602 12.277 0.441 1.00 0.00 C ATOM 512 NH1 ARG A 51 0.328 12.455 1.372 1.00 0.00 N ATOM 513 NH2 ARG A 51 -0.712 13.151 -0.550 1.00 0.00 N ATOM 0 H ARG A 51 -1.655 6.251 1.207 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.357 8.185 2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.260 7.452 2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.777 8.772 3.410 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.112 8.539 0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.372 9.547 1.133 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.577 10.703 2.519 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.380 9.797 1.615 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.117 11.121 -0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.418 11.787 2.138 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.953 13.260 1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.425 13.021 -1.268 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.084 13.954 -0.594 1.00 0.00 H new ATOM 527 N ARG A 52 -1.936 5.864 4.457 1.00 0.00 N ATOM 528 CA ARG A 52 -2.038 5.225 5.749 1.00 0.00 C ATOM 529 C ARG A 52 -0.714 4.555 6.080 1.00 0.00 C ATOM 530 O ARG A 52 -0.338 4.457 7.243 1.00 0.00 O ATOM 531 CB ARG A 52 -3.171 4.204 5.756 1.00 0.00 C ATOM 532 CG ARG A 52 -4.537 4.809 5.477 1.00 0.00 C ATOM 533 CD ARG A 52 -4.943 5.789 6.567 1.00 0.00 C ATOM 534 NE ARG A 52 -6.266 6.360 6.324 1.00 0.00 N ATOM 535 CZ ARG A 52 -6.962 7.034 7.237 1.00 0.00 C ATOM 536 NH1 ARG A 52 -6.467 7.221 8.454 1.00 0.00 N ATOM 537 NH2 ARG A 52 -8.158 7.522 6.933 1.00 0.00 N ATOM 0 H ARG A 52 -2.486 5.420 3.722 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.262 5.977 6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.963 3.438 5.009 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.194 3.706 6.725 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.521 5.320 4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.280 4.015 5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.939 5.281 7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.207 6.591 6.626 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.681 6.235 5.401 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.549 6.848 8.694 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.005 7.738 9.149 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.544 7.381 6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.691 8.038 7.633 1.00 0.00 H new ATOM 551 N LEU A 53 -0.001 4.091 5.050 1.00 0.00 N ATOM 552 CA LEU A 53 1.296 3.460 5.273 1.00 0.00 C ATOM 553 C LEU A 53 2.198 4.400 6.059 1.00 0.00 C ATOM 554 O LEU A 53 2.988 3.964 6.896 1.00 0.00 O ATOM 555 CB LEU A 53 1.948 3.058 3.952 1.00 0.00 C ATOM 556 CG LEU A 53 1.812 1.575 3.601 1.00 0.00 C ATOM 557 CD1 LEU A 53 2.526 0.713 4.629 1.00 0.00 C ATOM 558 CD2 LEU A 53 0.345 1.184 3.513 1.00 0.00 C ATOM 0 H LEU A 53 -0.294 4.140 4.074 1.00 0.00 H new ATOM 0 HA LEU A 53 1.144 2.550 5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.508 3.650 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.007 3.313 3.992 1.00 0.00 H new ATOM 0 HG LEU A 53 2.277 1.409 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.417 -0.338 4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.584 0.974 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.090 0.884 5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.265 0.126 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.139 1.367 4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.144 1.778 2.741 1.00 0.00 H new ATOM 570 N HIS A 54 2.076 5.695 5.786 1.00 0.00 N ATOM 571 CA HIS A 54 2.854 6.688 6.501 1.00 0.00 C ATOM 572 C HIS A 54 2.245 6.922 7.877 1.00 0.00 C ATOM 573 O HIS A 54 2.950 7.208 8.844 1.00 0.00 O ATOM 574 CB HIS A 54 2.935 7.998 5.705 1.00 0.00 C ATOM 575 CG HIS A 54 1.716 8.872 5.780 1.00 0.00 C ATOM 576 ND1 HIS A 54 1.063 9.343 4.660 1.00 0.00 N ATOM 577 CD2 HIS A 54 1.048 9.383 6.843 1.00 0.00 C ATOM 578 CE1 HIS A 54 0.049 10.106 5.030 1.00 0.00 C ATOM 579 NE2 HIS A 54 0.018 10.146 6.348 1.00 0.00 N ATOM 0 H HIS A 54 1.448 6.075 5.078 1.00 0.00 H new ATOM 0 HA HIS A 54 3.871 6.317 6.625 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.793 8.568 6.062 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.125 7.757 4.659 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.282 9.221 7.885 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.637 10.611 4.366 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.661 10.660 6.909 1.00 0.00 H new ATOM 588 N ALA A 55 0.922 6.798 7.950 1.00 0.00 N ATOM 589 CA ALA A 55 0.205 6.982 9.206 1.00 0.00 C ATOM 590 C ALA A 55 0.506 5.868 10.216 1.00 0.00 C ATOM 591 O ALA A 55 0.998 6.137 11.312 1.00 0.00 O ATOM 592 CB ALA A 55 -1.292 7.061 8.947 1.00 0.00 C ATOM 0 H ALA A 55 0.326 6.571 7.154 1.00 0.00 H new ATOM 0 HA ALA A 55 0.551 7.919 9.643 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.818 7.198 9.892 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.503 7.903 8.288 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.629 6.138 8.475 1.00 0.00 H new ATOM 598 N ALA A 56 0.211 4.621 9.846 1.00 0.00 N ATOM 599 CA ALA A 56 0.425 3.485 10.738 1.00 0.00 C ATOM 600 C ALA A 56 1.893 3.065 10.840 1.00 0.00 C ATOM 601 O ALA A 56 2.365 2.726 11.924 1.00 0.00 O ATOM 602 CB ALA A 56 -0.423 2.306 10.284 1.00 0.00 C ATOM 0 H ALA A 56 -0.176 4.374 8.935 1.00 0.00 H new ATOM 0 HA ALA A 56 0.123 3.806 11.735 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.259 1.461 10.953 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.476 2.586 10.304 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.142 2.025 9.269 1.00 0.00 H new ATOM 608 N GLU A 57 2.618 3.086 9.724 1.00 0.00 N ATOM 609 CA GLU A 57 4.021 2.671 9.734 1.00 0.00 C ATOM 610 C GLU A 57 4.956 3.843 10.020 1.00 0.00 C ATOM 611 O GLU A 57 5.811 3.759 10.903 1.00 0.00 O ATOM 612 CB GLU A 57 4.400 2.009 8.404 1.00 0.00 C ATOM 613 CG GLU A 57 3.278 1.190 7.778 1.00 0.00 C ATOM 614 CD GLU A 57 2.517 0.359 8.792 1.00 0.00 C ATOM 615 OE1 GLU A 57 3.167 -0.335 9.600 1.00 0.00 O ATOM 616 OE2 GLU A 57 1.268 0.403 8.778 1.00 0.00 O ATOM 0 H GLU A 57 2.265 3.381 8.813 1.00 0.00 H new ATOM 0 HA GLU A 57 4.137 1.945 10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.708 2.782 7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.262 1.362 8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.584 1.861 7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.697 0.531 7.017 1.00 0.00 H new ATOM 623 N GLY A 58 4.795 4.931 9.277 1.00 0.00 N ATOM 624 CA GLY A 58 5.644 6.093 9.477 1.00 0.00 C ATOM 625 C GLY A 58 6.424 6.474 8.231 1.00 0.00 C ATOM 626 O GLY A 58 7.366 7.264 8.298 1.00 0.00 O ATOM 0 H GLY A 58 4.095 5.031 8.542 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.029 6.938 9.787 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.342 5.892 10.290 1.00 0.00 H new ATOM 630 N VAL A 59 6.030 5.914 7.092 1.00 0.00 N ATOM 631 CA VAL A 59 6.687 6.201 5.828 1.00 0.00 C ATOM 632 C VAL A 59 6.049 7.411 5.141 1.00 0.00 C ATOM 633 O VAL A 59 5.411 7.292 4.099 1.00 0.00 O ATOM 634 CB VAL A 59 6.621 4.975 4.894 1.00 0.00 C ATOM 635 CG1 VAL A 59 5.179 4.603 4.573 1.00 0.00 C ATOM 636 CG2 VAL A 59 7.411 5.227 3.624 1.00 0.00 C ATOM 0 H VAL A 59 5.254 5.256 7.022 1.00 0.00 H new ATOM 0 HA VAL A 59 7.731 6.432 6.039 1.00 0.00 H new ATOM 0 HB VAL A 59 7.072 4.131 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.165 3.736 3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.651 4.365 5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.688 5.442 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.352 4.350 2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.996 6.090 3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.453 5.422 3.876 1.00 0.00 H new ATOM 646 N GLU A 60 6.227 8.578 5.749 1.00 0.00 N ATOM 647 CA GLU A 60 5.678 9.826 5.218 1.00 0.00 C ATOM 648 C GLU A 60 6.518 10.396 4.068 1.00 0.00 C ATOM 649 O GLU A 60 5.996 10.617 2.974 1.00 0.00 O ATOM 650 CB GLU A 60 5.554 10.868 6.335 1.00 0.00 C ATOM 651 CG GLU A 60 4.592 10.463 7.441 1.00 0.00 C ATOM 652 CD GLU A 60 4.484 11.512 8.531 1.00 0.00 C ATOM 653 OE1 GLU A 60 3.624 12.409 8.409 1.00 0.00 O ATOM 654 OE2 GLU A 60 5.260 11.435 9.506 1.00 0.00 O ATOM 0 H GLU A 60 6.751 8.689 6.617 1.00 0.00 H new ATOM 0 HA GLU A 60 4.691 9.593 4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.539 11.044 6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.222 11.813 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.605 10.286 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.923 9.521 7.879 1.00 0.00 H new ATOM 661 N PRO A 61 7.823 10.658 4.294 1.00 0.00 N ATOM 662 CA PRO A 61 8.708 11.220 3.263 1.00 0.00 C ATOM 663 C PRO A 61 8.697 10.410 1.967 1.00 0.00 C ATOM 664 O PRO A 61 7.791 9.612 1.731 1.00 0.00 O ATOM 665 CB PRO A 61 10.103 11.182 3.908 1.00 0.00 C ATOM 666 CG PRO A 61 9.969 10.306 5.108 1.00 0.00 C ATOM 667 CD PRO A 61 8.543 10.430 5.556 1.00 0.00 C ATOM 0 HA PRO A 61 8.389 12.221 2.972 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.844 10.785 3.214 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.432 12.183 4.188 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.213 9.272 4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.654 10.618 5.897 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.198 9.528 6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.409 11.257 6.253 1.00 0.00 H new ATOM 675 N GLY A 62 9.714 10.615 1.133 1.00 0.00 N ATOM 676 CA GLY A 62 9.801 9.900 -0.132 1.00 0.00 C ATOM 677 C GLY A 62 10.176 8.437 0.033 1.00 0.00 C ATOM 678 O GLY A 62 10.851 7.863 -0.822 1.00 0.00 O ATOM 0 H GLY A 62 10.481 11.264 1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.843 9.967 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.539 10.388 -0.768 1.00 0.00 H new ATOM 682 N SER A 63 9.741 7.834 1.134 1.00 0.00 N ATOM 683 CA SER A 63 10.023 6.434 1.413 1.00 0.00 C ATOM 684 C SER A 63 8.824 5.554 1.067 1.00 0.00 C ATOM 685 O SER A 63 8.775 4.383 1.436 1.00 0.00 O ATOM 686 CB SER A 63 10.381 6.269 2.888 1.00 0.00 C ATOM 687 OG SER A 63 11.681 6.763 3.159 1.00 0.00 O ATOM 0 H SER A 63 9.187 8.300 1.853 1.00 0.00 H new ATOM 0 HA SER A 63 10.864 6.120 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.653 6.798 3.503 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.325 5.216 3.163 1.00 0.00 H new ATOM 0 HG SER A 63 11.883 6.646 4.111 1.00 0.00 H new ATOM 693 N GLN A 64 7.860 6.123 0.349 1.00 0.00 N ATOM 694 CA GLN A 64 6.657 5.393 -0.030 1.00 0.00 C ATOM 695 C GLN A 64 6.752 4.846 -1.452 1.00 0.00 C ATOM 696 O GLN A 64 6.057 5.316 -2.353 1.00 0.00 O ATOM 697 CB GLN A 64 5.437 6.308 0.087 1.00 0.00 C ATOM 698 CG GLN A 64 5.028 6.613 1.522 1.00 0.00 C ATOM 699 CD GLN A 64 3.959 7.689 1.618 1.00 0.00 C ATOM 700 OE1 GLN A 64 3.088 7.632 2.484 1.00 0.00 O ATOM 701 NE2 GLN A 64 4.026 8.687 0.741 1.00 0.00 N ATOM 0 H GLN A 64 7.890 7.088 0.018 1.00 0.00 H new ATOM 0 HA GLN A 64 6.554 4.547 0.649 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.648 7.246 -0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.596 5.844 -0.429 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.660 5.700 1.991 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.906 6.929 2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.764 8.699 0.037 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.339 9.441 0.773 1.00 0.00 H new ATOM 710 N ARG A 65 7.612 3.852 -1.654 1.00 0.00 N ATOM 711 CA ARG A 65 7.764 3.244 -2.972 1.00 0.00 C ATOM 712 C ARG A 65 6.809 2.063 -3.132 1.00 0.00 C ATOM 713 O ARG A 65 7.147 0.938 -2.772 1.00 0.00 O ATOM 714 CB ARG A 65 9.204 2.777 -3.176 1.00 0.00 C ATOM 715 CG ARG A 65 10.220 3.907 -3.171 1.00 0.00 C ATOM 716 CD ARG A 65 10.054 4.813 -4.380 1.00 0.00 C ATOM 717 NE ARG A 65 11.069 5.862 -4.422 1.00 0.00 N ATOM 718 CZ ARG A 65 11.392 6.538 -5.522 1.00 0.00 C ATOM 719 NH1 ARG A 65 10.783 6.277 -6.673 1.00 0.00 N ATOM 720 NH2 ARG A 65 12.327 7.477 -5.473 1.00 0.00 N ATOM 0 H ARG A 65 8.209 3.453 -0.929 1.00 0.00 H new ATOM 0 HA ARG A 65 7.522 3.994 -3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.461 2.066 -2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.272 2.243 -4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.109 4.493 -2.259 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.228 3.491 -3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.112 4.216 -5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.064 5.268 -4.359 1.00 0.00 H new ATOM 0 HE ARG A 65 11.559 6.090 -3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.064 5.555 -6.717 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.035 6.798 -7.513 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.799 7.681 -4.592 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.574 7.995 -6.316 1.00 0.00 H new ATOM 734 N TRP A 66 5.619 2.326 -3.674 1.00 0.00 N ATOM 735 CA TRP A 66 4.613 1.279 -3.870 1.00 0.00 C ATOM 736 C TRP A 66 4.975 0.354 -5.032 1.00 0.00 C ATOM 737 O TRP A 66 5.179 0.803 -6.157 1.00 0.00 O ATOM 738 CB TRP A 66 3.226 1.894 -4.106 1.00 0.00 C ATOM 739 CG TRP A 66 3.235 3.113 -4.983 1.00 0.00 C ATOM 740 CD1 TRP A 66 3.611 3.183 -6.294 1.00 0.00 C ATOM 741 CD2 TRP A 66 2.841 4.438 -4.609 1.00 0.00 C ATOM 742 NE1 TRP A 66 3.481 4.472 -6.755 1.00 0.00 N ATOM 743 CE2 TRP A 66 3.010 5.261 -5.739 1.00 0.00 C ATOM 744 CE3 TRP A 66 2.364 5.011 -3.427 1.00 0.00 C ATOM 745 CZ2 TRP A 66 2.718 6.622 -5.721 1.00 0.00 C ATOM 746 CZ3 TRP A 66 2.074 6.362 -3.409 1.00 0.00 C ATOM 747 CH2 TRP A 66 2.252 7.154 -4.550 1.00 0.00 C ATOM 0 H TRP A 66 5.328 3.253 -3.985 1.00 0.00 H new ATOM 0 HA TRP A 66 4.589 0.683 -2.958 1.00 0.00 H new ATOM 0 HB2 TRP A 66 2.579 1.141 -4.556 1.00 0.00 H new ATOM 0 HB3 TRP A 66 2.788 2.156 -3.143 1.00 0.00 H new ATOM 0 HD1 TRP A 66 3.960 2.348 -6.883 1.00 0.00 H new ATOM 0 HE1 TRP A 66 3.700 4.789 -7.700 1.00 0.00 H new ATOM 0 HE3 TRP A 66 2.224 4.408 -2.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 2.854 7.235 -6.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.704 6.814 -2.501 1.00 0.00 H new ATOM 0 HH2 TRP A 66 2.016 8.207 -4.505 1.00 0.00 H new ATOM 758 N PHE A 67 5.037 -0.946 -4.750 1.00 0.00 N ATOM 759 CA PHE A 67 5.374 -1.937 -5.769 1.00 0.00 C ATOM 760 C PHE A 67 4.640 -3.255 -5.528 1.00 0.00 C ATOM 761 O PHE A 67 4.455 -3.680 -4.389 1.00 0.00 O ATOM 762 CB PHE A 67 6.881 -2.191 -5.792 1.00 0.00 C ATOM 763 CG PHE A 67 7.668 -1.108 -6.474 1.00 0.00 C ATOM 764 CD1 PHE A 67 7.867 0.118 -5.860 1.00 0.00 C ATOM 765 CD2 PHE A 67 8.208 -1.319 -7.733 1.00 0.00 C ATOM 766 CE1 PHE A 67 8.591 1.113 -6.489 1.00 0.00 C ATOM 767 CE2 PHE A 67 8.933 -0.328 -8.366 1.00 0.00 C ATOM 768 CZ PHE A 67 9.125 0.889 -7.744 1.00 0.00 C ATOM 0 H PHE A 67 4.858 -1.337 -3.825 1.00 0.00 H new ATOM 0 HA PHE A 67 5.059 -1.535 -6.732 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.238 -2.296 -4.768 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.073 -3.139 -6.295 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.452 0.298 -4.879 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.060 -2.269 -8.225 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.739 2.065 -6.000 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.349 -0.505 -9.347 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.692 1.665 -8.237 1.00 0.00 H new ATOM 778 N PHE A 68 4.223 -3.893 -6.617 1.00 0.00 N ATOM 779 CA PHE A 68 3.520 -5.168 -6.551 1.00 0.00 C ATOM 780 C PHE A 68 3.922 -6.059 -7.723 1.00 0.00 C ATOM 781 O PHE A 68 3.897 -5.630 -8.877 1.00 0.00 O ATOM 782 CB PHE A 68 2.011 -4.941 -6.572 1.00 0.00 C ATOM 783 CG PHE A 68 1.205 -6.210 -6.602 1.00 0.00 C ATOM 784 CD1 PHE A 68 0.830 -6.837 -5.424 1.00 0.00 C ATOM 785 CD2 PHE A 68 0.826 -6.775 -7.809 1.00 0.00 C ATOM 786 CE1 PHE A 68 0.089 -8.003 -5.451 1.00 0.00 C ATOM 787 CE2 PHE A 68 0.085 -7.941 -7.841 1.00 0.00 C ATOM 788 CZ PHE A 68 -0.283 -8.556 -6.660 1.00 0.00 C ATOM 0 H PHE A 68 4.362 -3.543 -7.565 1.00 0.00 H new ATOM 0 HA PHE A 68 3.794 -5.663 -5.619 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.728 -4.363 -5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.756 -4.339 -7.444 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.120 -6.410 -4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.113 -6.299 -8.735 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.199 -8.482 -4.527 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.206 -8.371 -8.788 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.861 -9.468 -6.682 1.00 0.00 H new ATOM 798 N SER A 69 4.302 -7.296 -7.418 1.00 0.00 N ATOM 799 CA SER A 69 4.709 -8.254 -8.445 1.00 0.00 C ATOM 800 C SER A 69 5.995 -7.820 -9.150 1.00 0.00 C ATOM 801 O SER A 69 6.442 -8.476 -10.092 1.00 0.00 O ATOM 802 CB SER A 69 3.590 -8.440 -9.473 1.00 0.00 C ATOM 803 OG SER A 69 3.954 -9.394 -10.455 1.00 0.00 O ATOM 0 H SER A 69 4.337 -7.661 -6.466 1.00 0.00 H new ATOM 0 HA SER A 69 4.905 -9.203 -7.946 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.679 -8.762 -8.969 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.370 -7.486 -9.952 1.00 0.00 H new ATOM 0 HG SER A 69 4.915 -9.327 -10.635 1.00 0.00 H new ATOM 809 N GLY A 70 6.591 -6.717 -8.699 1.00 0.00 N ATOM 810 CA GLY A 70 7.819 -6.238 -9.308 1.00 0.00 C ATOM 811 C GLY A 70 7.616 -4.982 -10.136 1.00 0.00 C ATOM 812 O GLY A 70 8.470 -4.623 -10.947 1.00 0.00 O ATOM 0 H GLY A 70 6.246 -6.149 -7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.552 -6.038 -8.527 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.234 -7.022 -9.942 1.00 0.00 H new ATOM 816 N ARG A 71 6.485 -4.312 -9.935 1.00 0.00 N ATOM 817 CA ARG A 71 6.180 -3.091 -10.670 1.00 0.00 C ATOM 818 C ARG A 71 5.550 -2.049 -9.750 1.00 0.00 C ATOM 819 O ARG A 71 4.877 -2.398 -8.783 1.00 0.00 O ATOM 820 CB ARG A 71 5.239 -3.397 -11.835 1.00 0.00 C ATOM 821 CG ARG A 71 5.851 -4.306 -12.889 1.00 0.00 C ATOM 822 CD ARG A 71 4.832 -4.689 -13.949 1.00 0.00 C ATOM 823 NE ARG A 71 5.431 -5.477 -15.025 1.00 0.00 N ATOM 824 CZ ARG A 71 4.814 -5.757 -16.170 1.00 0.00 C ATOM 825 NH1 ARG A 71 3.581 -5.318 -16.393 1.00 0.00 N ATOM 826 NH2 ARG A 71 5.430 -6.479 -17.096 1.00 0.00 N ATOM 0 H ARG A 71 5.766 -4.595 -9.269 1.00 0.00 H new ATOM 0 HA ARG A 71 7.113 -2.687 -11.063 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.333 -3.863 -11.447 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.939 -2.460 -12.305 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.696 -3.803 -13.359 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.240 -5.206 -12.414 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.026 -5.259 -13.488 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.386 -3.786 -14.366 1.00 0.00 H new ATOM 0 HE ARG A 71 6.377 -5.833 -14.890 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.101 -4.763 -15.684 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.113 -5.536 -17.273 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.377 -6.820 -16.931 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.957 -6.694 -17.974 1.00 0.00 H new ATOM 840 N PRO A 72 5.755 -0.752 -10.037 1.00 0.00 N ATOM 841 CA PRO A 72 5.199 0.329 -9.221 1.00 0.00 C ATOM 842 C PRO A 72 3.683 0.423 -9.354 1.00 0.00 C ATOM 843 O PRO A 72 3.163 0.652 -10.446 1.00 0.00 O ATOM 844 CB PRO A 72 5.861 1.599 -9.780 1.00 0.00 C ATOM 845 CG PRO A 72 6.954 1.125 -10.683 1.00 0.00 C ATOM 846 CD PRO A 72 6.540 -0.235 -11.166 1.00 0.00 C ATOM 0 HA PRO A 72 5.393 0.172 -8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.140 2.208 -10.325 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.259 2.219 -8.976 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.092 1.810 -11.520 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.904 1.076 -10.151 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.947 -0.178 -12.079 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.401 -0.867 -11.384 1.00 0.00 H new ATOM 854 N LEU A 73 2.974 0.249 -8.240 1.00 0.00 N ATOM 855 CA LEU A 73 1.513 0.317 -8.260 1.00 0.00 C ATOM 856 C LEU A 73 1.038 1.757 -8.421 1.00 0.00 C ATOM 857 O LEU A 73 1.818 2.699 -8.277 1.00 0.00 O ATOM 858 CB LEU A 73 0.916 -0.295 -6.990 1.00 0.00 C ATOM 859 CG LEU A 73 0.887 -1.829 -6.948 1.00 0.00 C ATOM 860 CD1 LEU A 73 0.002 -2.308 -5.807 1.00 0.00 C ATOM 861 CD2 LEU A 73 0.394 -2.400 -8.270 1.00 0.00 C ATOM 0 H LEU A 73 3.380 0.062 -7.323 1.00 0.00 H new ATOM 0 HA LEU A 73 1.168 -0.262 -9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.485 0.064 -6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.103 0.074 -6.874 1.00 0.00 H new ATOM 0 HG LEU A 73 1.904 -2.184 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.010 -3.398 -5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.393 -1.933 -4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.012 -1.937 -5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.383 -3.489 -8.215 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.614 -2.036 -8.470 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.060 -2.085 -9.073 1.00 0.00 H new ATOM 872 N THR A 74 -0.251 1.922 -8.706 1.00 0.00 N ATOM 873 CA THR A 74 -0.826 3.248 -8.900 1.00 0.00 C ATOM 874 C THR A 74 -1.902 3.558 -7.863 1.00 0.00 C ATOM 875 O THR A 74 -2.188 2.756 -6.981 1.00 0.00 O ATOM 876 CB THR A 74 -1.437 3.392 -10.306 1.00 0.00 C ATOM 877 OG1 THR A 74 -2.593 2.554 -10.427 1.00 0.00 O ATOM 878 CG2 THR A 74 -0.422 3.022 -11.377 1.00 0.00 C ATOM 0 H THR A 74 -0.915 1.155 -8.807 1.00 0.00 H new ATOM 0 HA THR A 74 -0.007 3.957 -8.783 1.00 0.00 H new ATOM 0 HB THR A 74 -1.728 4.433 -10.447 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.976 2.653 -11.324 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.876 3.131 -12.362 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.443 3.681 -11.301 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.105 1.989 -11.236 1.00 0.00 H new ATOM 886 N ASP A 75 -2.503 4.734 -8.007 1.00 0.00 N ATOM 887 CA ASP A 75 -3.547 5.210 -7.105 1.00 0.00 C ATOM 888 C ASP A 75 -4.931 4.754 -7.559 1.00 0.00 C ATOM 889 O ASP A 75 -5.928 5.436 -7.320 1.00 0.00 O ATOM 890 CB ASP A 75 -3.511 6.737 -7.033 1.00 0.00 C ATOM 891 CG ASP A 75 -3.762 7.386 -8.380 1.00 0.00 C ATOM 892 OD1 ASP A 75 -2.792 7.544 -9.153 1.00 0.00 O ATOM 893 OD2 ASP A 75 -4.926 7.736 -8.664 1.00 0.00 O ATOM 0 H ASP A 75 -2.279 5.388 -8.757 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.356 4.786 -6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.261 7.082 -6.321 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.541 7.057 -6.654 1.00 0.00 H new ATOM 898 N LYS A 76 -4.986 3.604 -8.213 1.00 0.00 N ATOM 899 CA LYS A 76 -6.245 3.052 -8.693 1.00 0.00 C ATOM 900 C LYS A 76 -6.175 1.531 -8.691 1.00 0.00 C ATOM 901 O LYS A 76 -6.801 0.867 -9.515 1.00 0.00 O ATOM 902 CB LYS A 76 -6.547 3.563 -10.104 1.00 0.00 C ATOM 903 CG LYS A 76 -6.854 5.051 -10.164 1.00 0.00 C ATOM 904 CD LYS A 76 -8.158 5.380 -9.456 1.00 0.00 C ATOM 905 CE LYS A 76 -8.520 6.849 -9.608 1.00 0.00 C ATOM 906 NZ LYS A 76 -7.485 7.742 -9.019 1.00 0.00 N ATOM 0 H LYS A 76 -4.169 3.032 -8.425 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.047 3.374 -8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.693 3.351 -10.748 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.395 3.010 -10.507 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.039 5.610 -9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.913 5.370 -11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.959 4.763 -9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.071 5.133 -8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.643 7.085 -10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.479 7.038 -9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.719 8.733 -9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.456 7.608 -7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.556 7.511 -9.424 1.00 0.00 H new ATOM 920 N MET A 77 -5.401 0.990 -7.756 1.00 0.00 N ATOM 921 CA MET A 77 -5.219 -0.453 -7.653 1.00 0.00 C ATOM 922 C MET A 77 -6.244 -1.134 -6.742 1.00 0.00 C ATOM 923 O MET A 77 -6.722 -2.224 -7.059 1.00 0.00 O ATOM 924 CB MET A 77 -3.807 -0.767 -7.152 1.00 0.00 C ATOM 925 CG MET A 77 -2.704 -0.332 -8.104 1.00 0.00 C ATOM 926 SD MET A 77 -2.926 -0.994 -9.770 1.00 0.00 S ATOM 927 CE MET A 77 -1.452 -0.391 -10.592 1.00 0.00 C ATOM 0 H MET A 77 -4.889 1.530 -7.058 1.00 0.00 H new ATOM 0 HA MET A 77 -5.370 -0.853 -8.656 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.657 -0.278 -6.190 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.723 -1.840 -6.981 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.677 0.757 -8.150 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.741 -0.659 -7.712 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.720 0.416 -11.274 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.747 -0.018 -9.848 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.991 -1.203 -11.154 1.00 0.00 H new ATOM 937 N LYS A 78 -6.646 -0.483 -5.649 1.00 0.00 N ATOM 938 CA LYS A 78 -7.569 -1.126 -4.713 1.00 0.00 C ATOM 939 C LYS A 78 -8.861 -1.550 -5.394 1.00 0.00 C ATOM 940 O LYS A 78 -9.112 -2.743 -5.579 1.00 0.00 O ATOM 941 CB LYS A 78 -7.896 -0.223 -3.531 1.00 0.00 C ATOM 942 CG LYS A 78 -6.977 -0.452 -2.342 1.00 0.00 C ATOM 943 CD LYS A 78 -7.186 -1.835 -1.736 1.00 0.00 C ATOM 944 CE LYS A 78 -6.058 -2.211 -0.788 1.00 0.00 C ATOM 945 NZ LYS A 78 -6.537 -3.057 0.342 1.00 0.00 N ATOM 0 H LYS A 78 -6.357 0.462 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.057 -2.015 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.824 0.818 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.928 -0.393 -3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.939 -0.344 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.162 0.310 -1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.135 -1.858 -1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.253 -2.575 -2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.285 -2.746 -1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.599 -1.305 -0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.026 -2.798 1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.556 -2.905 0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.363 -4.059 0.124 1.00 0.00 H new ATOM 959 N PHE A 79 -9.677 -0.579 -5.767 1.00 0.00 N ATOM 960 CA PHE A 79 -10.940 -0.866 -6.430 1.00 0.00 C ATOM 961 C PHE A 79 -10.731 -1.554 -7.786 1.00 0.00 C ATOM 962 O PHE A 79 -11.695 -2.009 -8.400 1.00 0.00 O ATOM 963 CB PHE A 79 -11.748 0.424 -6.621 1.00 0.00 C ATOM 964 CG PHE A 79 -11.326 1.240 -7.813 1.00 0.00 C ATOM 965 CD1 PHE A 79 -10.074 1.828 -7.858 1.00 0.00 C ATOM 966 CD2 PHE A 79 -12.183 1.411 -8.888 1.00 0.00 C ATOM 967 CE1 PHE A 79 -9.684 2.576 -8.952 1.00 0.00 C ATOM 968 CE2 PHE A 79 -11.799 2.158 -9.985 1.00 0.00 C ATOM 969 CZ PHE A 79 -10.548 2.740 -10.017 1.00 0.00 C ATOM 0 H PHE A 79 -9.489 0.413 -5.623 1.00 0.00 H new ATOM 0 HA PHE A 79 -11.495 -1.551 -5.789 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -12.803 0.168 -6.724 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -11.654 1.035 -5.724 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -9.394 1.701 -7.029 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -13.162 0.955 -8.868 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.705 3.032 -8.974 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.477 2.286 -10.816 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.245 3.323 -10.874 1.00 0.00 H new ATOM 979 N GLU A 80 -9.483 -1.624 -8.260 1.00 0.00 N ATOM 980 CA GLU A 80 -9.204 -2.237 -9.558 1.00 0.00 C ATOM 981 C GLU A 80 -8.917 -3.731 -9.436 1.00 0.00 C ATOM 982 O GLU A 80 -9.171 -4.497 -10.365 1.00 0.00 O ATOM 983 CB GLU A 80 -8.024 -1.534 -10.232 1.00 0.00 C ATOM 984 CG GLU A 80 -7.645 -2.129 -11.579 1.00 0.00 C ATOM 985 CD GLU A 80 -6.469 -1.418 -12.220 1.00 0.00 C ATOM 986 OE1 GLU A 80 -6.701 -0.447 -12.972 1.00 0.00 O ATOM 987 OE2 GLU A 80 -5.317 -1.831 -11.972 1.00 0.00 O ATOM 0 H GLU A 80 -8.662 -1.269 -7.771 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.098 -2.120 -10.171 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.269 -0.480 -10.366 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.160 -1.578 -9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.401 -3.184 -11.451 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.504 -2.080 -12.249 1.00 0.00 H new ATOM 994 N GLU A 81 -8.390 -4.143 -8.290 1.00 0.00 N ATOM 995 CA GLU A 81 -8.061 -5.539 -8.065 1.00 0.00 C ATOM 996 C GLU A 81 -9.243 -6.232 -7.421 1.00 0.00 C ATOM 997 O GLU A 81 -9.778 -7.208 -7.943 1.00 0.00 O ATOM 998 CB GLU A 81 -6.821 -5.666 -7.179 1.00 0.00 C ATOM 999 CG GLU A 81 -6.245 -7.072 -7.131 1.00 0.00 C ATOM 1000 CD GLU A 81 -5.809 -7.570 -8.495 1.00 0.00 C ATOM 1001 OE1 GLU A 81 -6.642 -8.178 -9.200 1.00 0.00 O ATOM 1002 OE2 GLU A 81 -4.634 -7.352 -8.859 1.00 0.00 O ATOM 0 H GLU A 81 -8.182 -3.528 -7.503 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.840 -6.013 -9.021 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.055 -4.981 -7.542 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.075 -5.352 -6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.392 -7.088 -6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.991 -7.753 -6.721 1.00 0.00 H new ATOM 1009 N LEU A 82 -9.635 -5.699 -6.267 1.00 0.00 N ATOM 1010 CA LEU A 82 -10.759 -6.212 -5.506 1.00 0.00 C ATOM 1011 C LEU A 82 -10.424 -7.542 -4.836 1.00 0.00 C ATOM 1012 O LEU A 82 -11.179 -8.025 -3.992 1.00 0.00 O ATOM 1013 CB LEU A 82 -11.994 -6.365 -6.396 1.00 0.00 C ATOM 1014 CG LEU A 82 -12.480 -5.089 -7.089 1.00 0.00 C ATOM 1015 CD1 LEU A 82 -12.552 -3.934 -6.101 1.00 0.00 C ATOM 1016 CD2 LEU A 82 -11.580 -4.740 -8.259 1.00 0.00 C ATOM 0 H LEU A 82 -9.177 -4.896 -5.836 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.978 -5.487 -4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.777 -7.111 -7.161 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -12.809 -6.759 -5.789 1.00 0.00 H new ATOM 0 HG LEU A 82 -13.484 -5.270 -7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.899 -3.037 -6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -13.246 -4.185 -5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.563 -3.752 -5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.942 -3.830 -8.738 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.563 -4.581 -7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.587 -5.557 -8.980 1.00 0.00 H new ATOM 1028 N LYS A 83 -9.292 -8.130 -5.209 1.00 0.00 N ATOM 1029 CA LYS A 83 -8.864 -9.394 -4.633 1.00 0.00 C ATOM 1030 C LYS A 83 -7.818 -9.153 -3.547 1.00 0.00 C ATOM 1031 O LYS A 83 -7.330 -10.093 -2.918 1.00 0.00 O ATOM 1032 CB LYS A 83 -8.285 -10.300 -5.721 1.00 0.00 C ATOM 1033 CG LYS A 83 -9.058 -10.277 -7.031 1.00 0.00 C ATOM 1034 CD LYS A 83 -10.357 -11.060 -6.936 1.00 0.00 C ATOM 1035 CE LYS A 83 -11.471 -10.214 -6.350 1.00 0.00 C ATOM 1036 NZ LYS A 83 -12.680 -11.026 -6.034 1.00 0.00 N ATOM 0 H LYS A 83 -8.656 -7.749 -5.909 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.730 -9.884 -4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.255 -10.002 -5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.256 -11.324 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.275 -9.245 -7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.439 -10.695 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.646 -11.410 -7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.206 -11.945 -6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.116 -9.724 -5.443 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.737 -9.426 -7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.417 -10.410 -5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.035 -11.473 -6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.433 -11.762 -5.342 1.00 0.00 H new ATOM 1050 N ILE A 84 -7.478 -7.882 -3.336 1.00 0.00 N ATOM 1051 CA ILE A 84 -6.494 -7.500 -2.336 1.00 0.00 C ATOM 1052 C ILE A 84 -6.786 -8.086 -0.945 1.00 0.00 C ATOM 1053 O ILE A 84 -5.849 -8.376 -0.202 1.00 0.00 O ATOM 1054 CB ILE A 84 -6.334 -5.960 -2.234 1.00 0.00 C ATOM 1055 CG1 ILE A 84 -7.655 -5.264 -1.857 1.00 0.00 C ATOM 1056 CG2 ILE A 84 -5.787 -5.403 -3.541 1.00 0.00 C ATOM 1057 CD1 ILE A 84 -8.608 -5.034 -3.017 1.00 0.00 C ATOM 0 H ILE A 84 -7.876 -7.097 -3.851 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.554 -7.929 -2.684 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.624 -5.754 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.163 -5.864 -1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.425 -4.302 -1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.679 -4.322 -3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.815 -5.850 -3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.475 -5.638 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.509 -4.539 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.125 -4.406 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.875 -5.992 -3.464 1.00 0.00 H new ATOM 1069 N PRO A 85 -8.069 -8.289 -0.560 1.00 0.00 N ATOM 1070 CA PRO A 85 -8.412 -8.837 0.752 1.00 0.00 C ATOM 1071 C PRO A 85 -8.291 -10.360 0.801 1.00 0.00 C ATOM 1072 O PRO A 85 -9.243 -11.056 1.152 1.00 0.00 O ATOM 1073 CB PRO A 85 -9.877 -8.407 0.960 1.00 0.00 C ATOM 1074 CG PRO A 85 -10.264 -7.636 -0.264 1.00 0.00 C ATOM 1075 CD PRO A 85 -9.281 -8.013 -1.334 1.00 0.00 C ATOM 0 HA PRO A 85 -7.736 -8.474 1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.522 -9.275 1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.979 -7.793 1.855 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -11.282 -7.879 -0.569 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.236 -6.563 -0.072 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.610 -8.885 -1.900 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.131 -7.206 -2.051 1.00 0.00 H new ATOM 1083 N LYS A 86 -7.115 -10.873 0.450 1.00 0.00 N ATOM 1084 CA LYS A 86 -6.883 -12.312 0.464 1.00 0.00 C ATOM 1085 C LYS A 86 -5.391 -12.633 0.603 1.00 0.00 C ATOM 1086 O LYS A 86 -4.850 -12.603 1.709 1.00 0.00 O ATOM 1087 CB LYS A 86 -7.472 -12.959 -0.795 1.00 0.00 C ATOM 1088 CG LYS A 86 -7.261 -14.464 -0.869 1.00 0.00 C ATOM 1089 CD LYS A 86 -7.935 -15.179 0.291 1.00 0.00 C ATOM 1090 CE LYS A 86 -7.742 -16.684 0.204 1.00 0.00 C ATOM 1091 NZ LYS A 86 -8.315 -17.247 -1.051 1.00 0.00 N ATOM 0 H LYS A 86 -6.313 -10.317 0.154 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.389 -12.730 1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.541 -12.749 -0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.024 -12.495 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.658 -14.842 -1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.193 -14.684 -0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.527 -14.812 1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.000 -14.947 0.294 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.678 -16.917 0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.213 -17.161 1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.395 -18.280 -0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.258 -16.840 -1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.693 -17.014 -1.851 1.00 0.00 H new ATOM 1105 N ASP A 87 -4.724 -12.938 -0.511 1.00 0.00 N ATOM 1106 CA ASP A 87 -3.302 -13.262 -0.482 1.00 0.00 C ATOM 1107 C ASP A 87 -2.476 -12.211 -1.223 1.00 0.00 C ATOM 1108 O ASP A 87 -1.310 -12.445 -1.546 1.00 0.00 O ATOM 1109 CB ASP A 87 -3.064 -14.643 -1.097 1.00 0.00 C ATOM 1110 CG ASP A 87 -1.618 -15.087 -0.985 1.00 0.00 C ATOM 1111 OD1 ASP A 87 -1.256 -15.667 0.060 1.00 0.00 O ATOM 1112 OD2 ASP A 87 -0.851 -14.859 -1.942 1.00 0.00 O ATOM 0 H ASP A 87 -5.146 -12.967 -1.439 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.982 -13.270 0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.704 -15.373 -0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.355 -14.625 -2.147 1.00 0.00 H new ATOM 1117 N TYR A 88 -3.076 -11.056 -1.491 1.00 0.00 N ATOM 1118 CA TYR A 88 -2.382 -9.987 -2.199 1.00 0.00 C ATOM 1119 C TYR A 88 -1.537 -9.147 -1.246 1.00 0.00 C ATOM 1120 O TYR A 88 -1.940 -8.866 -0.114 1.00 0.00 O ATOM 1121 CB TYR A 88 -3.388 -9.105 -2.940 1.00 0.00 C ATOM 1122 CG TYR A 88 -3.977 -9.768 -4.164 1.00 0.00 C ATOM 1123 CD1 TYR A 88 -4.880 -10.817 -4.042 1.00 0.00 C ATOM 1124 CD2 TYR A 88 -3.628 -9.347 -5.441 1.00 0.00 C ATOM 1125 CE1 TYR A 88 -5.418 -11.429 -5.158 1.00 0.00 C ATOM 1126 CE2 TYR A 88 -4.164 -9.954 -6.562 1.00 0.00 C ATOM 1127 CZ TYR A 88 -5.057 -10.994 -6.415 1.00 0.00 C ATOM 1128 OH TYR A 88 -5.591 -11.600 -7.530 1.00 0.00 O ATOM 0 H TYR A 88 -4.037 -10.837 -1.230 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.709 -10.444 -2.925 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.194 -8.834 -2.258 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.898 -8.178 -3.238 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.166 -11.160 -3.059 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.928 -8.534 -5.560 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.118 -12.244 -5.046 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.884 -9.615 -7.548 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.234 -11.173 -8.337 1.00 0.00 H new ATOM 1138 N VAL A 89 -0.360 -8.746 -1.715 1.00 0.00 N ATOM 1139 CA VAL A 89 0.548 -7.943 -0.909 1.00 0.00 C ATOM 1140 C VAL A 89 1.398 -7.018 -1.776 1.00 0.00 C ATOM 1141 O VAL A 89 2.034 -7.461 -2.731 1.00 0.00 O ATOM 1142 CB VAL A 89 1.483 -8.840 -0.070 1.00 0.00 C ATOM 1143 CG1 VAL A 89 2.328 -9.727 -0.972 1.00 0.00 C ATOM 1144 CG2 VAL A 89 2.365 -7.999 0.839 1.00 0.00 C ATOM 0 H VAL A 89 -0.014 -8.965 -2.649 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.070 -7.338 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 89 0.865 -9.482 0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.980 -10.351 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.676 -10.362 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.934 -9.104 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.015 -8.652 1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.973 -7.326 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.740 -7.415 1.514 1.00 0.00 H new ATOM 1154 N VAL A 90 1.403 -5.731 -1.437 1.00 0.00 N ATOM 1155 CA VAL A 90 2.194 -4.755 -2.176 1.00 0.00 C ATOM 1156 C VAL A 90 3.498 -4.472 -1.455 1.00 0.00 C ATOM 1157 O VAL A 90 3.500 -3.977 -0.329 1.00 0.00 O ATOM 1158 CB VAL A 90 1.446 -3.421 -2.377 1.00 0.00 C ATOM 1159 CG1 VAL A 90 2.168 -2.554 -3.399 1.00 0.00 C ATOM 1160 CG2 VAL A 90 0.003 -3.670 -2.785 1.00 0.00 C ATOM 0 H VAL A 90 0.870 -5.343 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 90 2.387 -5.194 -3.155 1.00 0.00 H new ATOM 0 HB VAL A 90 1.434 -2.883 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.627 -1.617 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.179 -2.344 -3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.217 -3.080 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.506 -2.716 -2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.019 -4.230 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.502 -4.243 -2.007 1.00 0.00 H new ATOM 1170 N GLN A 91 4.608 -4.789 -2.107 1.00 0.00 N ATOM 1171 CA GLN A 91 5.909 -4.560 -1.516 1.00 0.00 C ATOM 1172 C GLN A 91 6.332 -3.115 -1.724 1.00 0.00 C ATOM 1173 O GLN A 91 6.295 -2.603 -2.843 1.00 0.00 O ATOM 1174 CB GLN A 91 6.949 -5.509 -2.111 1.00 0.00 C ATOM 1175 CG GLN A 91 8.332 -5.334 -1.511 1.00 0.00 C ATOM 1176 CD GLN A 91 9.207 -4.396 -2.321 1.00 0.00 C ATOM 1177 OE1 GLN A 91 9.050 -4.278 -3.536 1.00 0.00 O ATOM 1178 NE2 GLN A 91 10.136 -3.728 -1.650 1.00 0.00 N ATOM 0 H GLN A 91 4.629 -5.203 -3.039 1.00 0.00 H new ATOM 0 HA GLN A 91 5.841 -4.756 -0.446 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.622 -6.538 -1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.004 -5.348 -3.188 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.237 -4.950 -0.495 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.818 -6.307 -1.439 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.230 -3.858 -0.643 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.757 -3.085 -2.141 1.00 0.00 H new ATOM 1187 N VAL A 92 6.718 -2.452 -0.643 1.00 0.00 N ATOM 1188 CA VAL A 92 7.135 -1.064 -0.724 1.00 0.00 C ATOM 1189 C VAL A 92 8.614 -0.901 -0.401 1.00 0.00 C ATOM 1190 O VAL A 92 9.258 -1.822 0.106 1.00 0.00 O ATOM 1191 CB VAL A 92 6.311 -0.183 0.235 1.00 0.00 C ATOM 1192 CG1 VAL A 92 4.823 -0.428 0.042 1.00 0.00 C ATOM 1193 CG2 VAL A 92 6.710 -0.431 1.677 1.00 0.00 C ATOM 0 H VAL A 92 6.750 -2.852 0.295 1.00 0.00 H new ATOM 0 HA VAL A 92 6.963 -0.744 -1.752 1.00 0.00 H new ATOM 0 HB VAL A 92 6.522 0.860 0.000 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.258 0.203 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.545 -0.188 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.598 -1.475 0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.114 0.203 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.537 -1.478 1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.766 -0.197 1.808 1.00 0.00 H new ATOM 1203 N ILE A 93 9.140 0.288 -0.672 1.00 0.00 N ATOM 1204 CA ILE A 93 10.533 0.585 -0.400 1.00 0.00 C ATOM 1205 C ILE A 93 10.648 1.855 0.430 1.00 0.00 C ATOM 1206 O ILE A 93 10.149 2.917 0.047 1.00 0.00 O ATOM 1207 CB ILE A 93 11.365 0.755 -1.687 1.00 0.00 C ATOM 1208 CG1 ILE A 93 10.854 -0.173 -2.791 1.00 0.00 C ATOM 1209 CG2 ILE A 93 12.834 0.480 -1.400 1.00 0.00 C ATOM 1210 CD1 ILE A 93 11.615 -0.039 -4.091 1.00 0.00 C ATOM 0 H ILE A 93 8.617 1.062 -1.081 1.00 0.00 H new ATOM 0 HA ILE A 93 10.931 -0.268 0.149 1.00 0.00 H new ATOM 0 HB ILE A 93 11.260 1.783 -2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.918 -1.205 -2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.800 0.037 -2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.413 0.603 -2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 93 13.195 1.180 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.948 -0.540 -1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.199 -0.726 -4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.530 0.984 -4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.665 -0.278 -3.924 1.00 0.00 H new ATOM 1222 N VAL A 94 11.292 1.714 1.576 1.00 0.00 N ATOM 1223 CA VAL A 94 11.510 2.820 2.504 1.00 0.00 C ATOM 1224 C VAL A 94 12.893 2.709 3.143 1.00 0.00 C ATOM 1225 O VAL A 94 13.100 1.923 4.069 1.00 0.00 O ATOM 1226 CB VAL A 94 10.422 2.863 3.612 1.00 0.00 C ATOM 1227 CG1 VAL A 94 9.962 1.457 3.973 1.00 0.00 C ATOM 1228 CG2 VAL A 94 10.924 3.590 4.856 1.00 0.00 C ATOM 0 H VAL A 94 11.682 0.827 1.894 1.00 0.00 H new ATOM 0 HA VAL A 94 11.446 3.746 1.932 1.00 0.00 H new ATOM 0 HB VAL A 94 9.572 3.418 3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.200 1.512 4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.545 0.973 3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 94 10.811 0.879 4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.139 3.602 5.612 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.799 3.074 5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.193 4.614 4.595 1.00 0.00 H new ATOM 1238 N SER A 95 13.837 3.498 2.640 1.00 0.00 N ATOM 1239 CA SER A 95 15.200 3.483 3.158 1.00 0.00 C ATOM 1240 C SER A 95 15.685 4.896 3.466 1.00 0.00 C ATOM 1241 O SER A 95 16.846 5.230 3.233 1.00 0.00 O ATOM 1242 CB SER A 95 16.137 2.819 2.149 1.00 0.00 C ATOM 1243 OG SER A 95 17.450 2.706 2.669 1.00 0.00 O ATOM 0 H SER A 95 13.683 4.155 1.875 1.00 0.00 H new ATOM 0 HA SER A 95 15.204 2.910 4.085 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.758 1.830 1.892 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.156 3.402 1.228 1.00 0.00 H new ATOM 0 HG SER A 95 17.776 3.593 2.930 1.00 0.00 H new ATOM 1249 N GLN A 96 14.788 5.723 3.993 1.00 0.00 N ATOM 1250 CA GLN A 96 15.126 7.100 4.336 1.00 0.00 C ATOM 1251 C GLN A 96 14.537 7.483 5.690 1.00 0.00 C ATOM 1252 O GLN A 96 13.462 8.079 5.761 1.00 0.00 O ATOM 1253 CB GLN A 96 14.618 8.057 3.255 1.00 0.00 C ATOM 1254 CG GLN A 96 15.170 7.758 1.871 1.00 0.00 C ATOM 1255 CD GLN A 96 16.683 7.836 1.817 1.00 0.00 C ATOM 1256 OE1 GLN A 96 17.304 8.595 2.560 1.00 0.00 O ATOM 1257 NE2 GLN A 96 17.284 7.048 0.933 1.00 0.00 N ATOM 0 H GLN A 96 13.822 5.464 4.192 1.00 0.00 H new ATOM 0 HA GLN A 96 16.212 7.177 4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 96 13.530 8.009 3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 96 14.884 9.078 3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 96 14.850 6.762 1.564 1.00 0.00 H new ATOM 0 HG3 GLN A 96 14.748 8.463 1.155 1.00 0.00 H new ATOM 0 HE21 GLN A 96 16.729 6.434 0.337 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.301 7.057 0.850 1.00 0.00 H new ATOM 1266 N PRO A 97 15.238 7.144 6.787 1.00 0.00 N ATOM 1267 CA PRO A 97 14.779 7.455 8.145 1.00 0.00 C ATOM 1268 C PRO A 97 14.386 8.920 8.301 1.00 0.00 C ATOM 1269 O PRO A 97 13.536 9.260 9.125 1.00 0.00 O ATOM 1270 CB PRO A 97 15.996 7.129 9.013 1.00 0.00 C ATOM 1271 CG PRO A 97 16.749 6.104 8.240 1.00 0.00 C ATOM 1272 CD PRO A 97 16.530 6.433 6.788 1.00 0.00 C ATOM 0 HA PRO A 97 13.885 6.892 8.414 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.604 8.016 9.191 1.00 0.00 H new ATOM 0 HB3 PRO A 97 15.695 6.747 9.989 1.00 0.00 H new ATOM 0 HG2 PRO A 97 17.810 6.129 8.490 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.391 5.101 8.471 1.00 0.00 H new ATOM 0 HD2 PRO A 97 17.332 7.057 6.392 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.493 5.533 6.174 1.00 0.00 H new ATOM 1280 N VAL A 98 15.009 9.784 7.508 1.00 0.00 N ATOM 1281 CA VAL A 98 14.721 11.213 7.559 1.00 0.00 C ATOM 1282 C VAL A 98 14.713 11.831 6.162 1.00 0.00 C ATOM 1283 O VAL A 98 13.908 12.716 5.872 1.00 0.00 O ATOM 1284 CB VAL A 98 15.744 11.964 8.433 1.00 0.00 C ATOM 1285 CG1 VAL A 98 15.320 13.412 8.626 1.00 0.00 C ATOM 1286 CG2 VAL A 98 15.912 11.267 9.774 1.00 0.00 C ATOM 0 H VAL A 98 15.717 9.520 6.822 1.00 0.00 H new ATOM 0 HA VAL A 98 13.730 11.315 8.001 1.00 0.00 H new ATOM 0 HB VAL A 98 16.707 11.957 7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 98 16.054 13.927 9.246 1.00 0.00 H new ATOM 0 HG12 VAL A 98 15.255 13.904 7.656 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.346 13.444 9.115 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.638 11.811 10.378 1.00 0.00 H new ATOM 0 HG22 VAL A 98 14.954 11.242 10.293 1.00 0.00 H new ATOM 0 HG23 VAL A 98 16.265 10.248 9.613 1.00 0.00 H new ATOM 1296 N GLN A 99 15.618 11.363 5.302 1.00 0.00 N ATOM 1297 CA GLN A 99 15.720 11.860 3.929 1.00 0.00 C ATOM 1298 C GLN A 99 16.337 13.256 3.887 1.00 0.00 C ATOM 1299 O GLN A 99 17.368 13.467 3.249 1.00 0.00 O ATOM 1300 CB GLN A 99 14.346 11.875 3.251 1.00 0.00 C ATOM 1301 CG GLN A 99 14.407 12.181 1.763 1.00 0.00 C ATOM 1302 CD GLN A 99 13.039 12.173 1.108 1.00 0.00 C ATOM 1303 OE1 GLN A 99 12.138 11.453 1.538 1.00 0.00 O ATOM 1304 NE2 GLN A 99 12.880 12.974 0.062 1.00 0.00 N ATOM 0 H GLN A 99 16.295 10.636 5.534 1.00 0.00 H new ATOM 0 HA GLN A 99 16.375 11.180 3.384 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.868 10.906 3.395 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.716 12.617 3.741 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.870 13.156 1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.045 11.447 1.271 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.656 13.553 -0.259 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.982 13.010 -0.421 1.00 0.00 H new ATOM 1313 N ASN A 100 15.699 14.206 4.567 1.00 0.00 N ATOM 1314 CA ASN A 100 16.187 15.582 4.607 1.00 0.00 C ATOM 1315 C ASN A 100 16.055 16.245 3.239 1.00 0.00 C ATOM 1316 O ASN A 100 17.013 16.153 2.443 1.00 0.00 O ATOM 1317 CB ASN A 100 17.647 15.624 5.066 1.00 0.00 C ATOM 1318 CG ASN A 100 17.866 14.886 6.372 1.00 0.00 C ATOM 1319 OD1 ASN A 100 17.182 13.907 6.668 1.00 0.00 O ATOM 1320 ND2 ASN A 100 18.825 15.355 7.163 1.00 0.00 N ATOM 0 H ASN A 100 14.843 14.048 5.098 1.00 0.00 H new ATOM 0 HA ASN A 100 15.576 16.132 5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 100 18.280 15.186 4.294 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.958 16.662 5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 100 19.018 14.900 8.055 1.00 0.00 H new ATOM 0 HD22 ASN A 100 19.368 16.170 6.878 1.00 0.00 H new TER 1327 ASN A 100